data_5998 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5998 _Entry.Title ; 1H, 15N and 13C resonance assignments of the ApaG/CorD protein of the phytopathogen Xanthomonas axonopodis pv. citri ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-06 _Entry.Accession_date 2003-11-10 _Entry.Last_release_date 2004-07-06 _Entry.Original_release_date 2004-07-06 _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 Angela Katsuyama . M. . 5998 2 Daniel Cicero . O. . 5998 3 Alberto Spisni . . . 5998 4 Maurizio Paci . . . 5998 5 Chuck Farah . S. . 5998 6 Thelma Pertinhez . A. . 5998 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5998 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 802 5998 '13C chemical shifts' 523 5998 '15N chemical shifts' 111 5998 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 . . 2004-07-06 2003-11-06 original author . 5998 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5998 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213450 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C resonance assignments of the ApaG protein of the phytopathogen Xanthomonas axonopodis pv. citri ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _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 423 _Citation.Page_last 424 _Citation.Year 2004 _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 Angela Katsuyama . M. . 5998 1 2 Daniel Cicero . O. . 5998 1 3 Alberto Spisni . . . 5998 1 4 Maurizio Paci . . . 5998 1 5 Chuck Farah . S. . 5998 1 6 Thelma Pertinhez . A. . 5998 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ApaG/CorD protein' 5998 1 'Xanthomonas axonopodis pv. citri' 5998 1 NMR 5998 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5998 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12024217 _Citation.Full_citation ; da Silva AC, Ferro JA, Reinach FC, Farah CS, Furlan LR, Quaggio RB, Monteiro-Vitorello CB, Van Sluys MA, Almeida NF, Alves LM, do Amaral AM, Bertolini MC, Camargo LE, Camarotte G, Cannavan F, Cardozo J, Chambergo F, Ciapina LP, Cicarelli RM, Coutinho LL, Cursino-Santos JR, El-Dorry H, Faria JB, Ferreira AJ, Ferreira RC, Ferro MI, Formighieri EF, Franco MC, Greggio CC, Gruber A, Katsuyama AM, Kishi LT, Leite RP, Lemos EG, Lemos MV, Locali EC, Machado MA, Madeira AM, Martinez-Rossi NM, Martins EC, Meidanis J, Menck CF, Miyaki CY, Moon DH, Moreira LM, Novo MT, Okura VK, Oliveira MC, Oliveira VR, Pereira HA, Rossi A, Sena JA, Silva C, de Souza RF, Spinola LA, Takita MA, Tamura RE, Teixeira EC, Tezza RI, Trindade dos Santos M, Truffi D, Tsai SM, White FF, Setubal JC, Kitajima JP. Nature, 417(6887), 459-463(2002) ; _Citation.Title 'Comparison of the genomes of two Xanthomonas pathogens with differing host specificities.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 417 _Citation.Journal_issue 6887 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0028-0836 _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 459 _Citation.Page_last 463 _Citation.Year 2002 _Citation.Details ; The genus Xanthomonas is a diverse and economically important group of bacterial phytopathogens, belonging to the gamma-subdivision of the Proteobacteria. Xanthomonas axonopodis pv. citri (Xac) causes citrus canker, which affects most commercial citrus cultivars, resulting in significant losses worldwide. Symptoms include canker lesions, leading to abscission of fruit and leaves and general tree decline. Xanthomonas campestris pv. campestris (Xcc) causes black rot, which affects crucifers such as Brassica and Arabidopsis. Symptoms include marginal leaf chlorosis and darkening of vascular tissue, accompanied by extensive wilting and necrosis. Xanthomonas campestris pv. campestris is grown commercially to produce the exopolysaccharide xanthan gum, which is used as a viscosifying and stabilizing agent in many industries. Here we report and compare the complete genome sequences of Xac and Xcc. Their distinct disease phenotypes and host ranges belie a high degree of similarity at the genomic level. More than 80% of genes are shared, and gene order is conserved along most of their respective chromosomes. We identified several groups of strain-specific genes, and on the basis of these groups we propose mechanisms that may explain the differing host specificities and pathogenic processes. ; 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 'A C R' 'da Silva' A. C. . 5998 2 2 'J A' Ferro J. A. . 5998 2 3 'F C' Reinach F. C. . 5998 2 4 'C S' Farah C. S. . 5998 2 5 'L R' Furlan L. R. . 5998 2 6 'R B' Quaggio R. B. . 5998 2 7 'C B' Monteiro-Vitorello C. B. . 5998 2 8 'M A' 'Van Sluys' M. A. . 5998 2 9 'N F' Almeida N. F. . 5998 2 10 'L M C' Alves L. M. . 5998 2 11 'A M' 'do Amaral' A. M. . 5998 2 12 'M C' Bertolini M. C. . 5998 2 13 'L E A' Camargo L. E. . 5998 2 14 G Camarotte G. . . 5998 2 15 F Cannavan F. . . 5998 2 16 J Cardozo J. . . 5998 2 17 F Chambergo F. . . 5998 2 18 'L P' Ciapina L. P. . 5998 2 19 'R M B' Cicarelli R. M. . 5998 2 20 'L L' Coutinho L. L. . 5998 2 21 'J R' Cursino-Santos J. R. . 5998 2 22 H El-Dorry H. . . 5998 2 23 'J B' Faria J. B. . 5998 2 24 'A J S' Ferreira A. J. . 5998 2 25 'R C C' Ferreira R. C. . 5998 2 26 'M I T' Ferro M. I. . 5998 2 27 'E F' Formighieri E. F. . 5998 2 28 'M C' Franco M. C. . 5998 2 29 'C C' Greggio C. C. . 5998 2 30 A Gruber A. . . 5998 2 31 'A M' Katsuyama A. M. . 5998 2 32 'L T' Kishi L. T. . 5998 2 33 'R P' Leite R. P. . 5998 2 34 'E G M' Lemos E. G. . 5998 2 35 'M V F' Lemos M. V. . 5998 2 36 'E C' Locali E. C. . 5998 2 37 'M A' Machado M. A. . 5998 2 38 'A M B N' Madeira A. M. . 5998 2 39 'N M' Martinez-Rossi N. M. . 5998 2 40 'E C' Martins E. C. . 5998 2 41 J Meidanis J. . . 5998 2 42 'C F M' Menck C. F. . 5998 2 43 'C Y' Miyaki C. Y. . 5998 2 44 'D H' Moon D. H. . 5998 2 45 'L M' Moreira L. M. . 5998 2 46 'M T M' Novo M. T. . 5998 2 47 'V K' Okura V. K. . 5998 2 48 'M C' Oliveira M. C. . 5998 2 49 'V R' Oliveira V. R. . 5998 2 50 'H A' Pereira H. A. . 5998 2 51 A Rossi A. . . 5998 2 52 'J A D' Sena J. A. . 5998 2 53 C Silva C. . . 5998 2 54 'R F' 'de Souza' R. F. . 5998 2 55 'L A F' Spinola L. A. . 5998 2 56 'M A' Takita M. A. . 5998 2 57 'R E' Tamura R. E. . 5998 2 58 'E C' Teixeira E. C. . 5998 2 59 'R I D' Tezza R. I. . 5998 2 60 M 'Trindade dos Santos' M. . . 5998 2 61 D Truffi D. . . 5998 2 62 'S M' Tsai S. M. . 5998 2 63 'F F' White F. F. . 5998 2 64 'J C' Setubal J. C. . 5998 2 65 'J P' Kitajima J. P. . 5998 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5998 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F. et al. J. Biomol. NMR 6, 277-293 (1995). ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F Delaglio F. . . 5998 3 2 S Grzesiek S. . . 5998 3 3 'G W' Vuister G. W. . 5998 3 4 G Zhu G. . . 5998 3 5 J Pfeifer J. . . 5998 3 6 A Bax A. . . 5998 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ApaG _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ApaG _Assembly.Entry_ID 5998 _Assembly.ID 1 _Assembly.Name 'ApaG/CorD protein' _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 'not present' _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 5998 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 'ApaG monomer' 1 $ApaG . . . native . . . . . 5998 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ApaG/CorD protein' system 5998 1 ApaG abbreviation 5998 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Conserved protein of unknown biological function' 5998 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ApaG _Entity.Sf_category entity _Entity.Sf_framecode ApaG _Entity.Entry_ID 5998 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ApaG protein' _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 ; MQDDPRYRVEVEVSPRFLAH QSTPDEGRYAFAYSIRIQNA GAVPARLVARHWQITDGNGR TEQVDGEGVVGEQPWLRPGE AFHYTSGVLLETEQGQMQGH YDMVADDGTEFIAPIAAFVL SVPRTLH ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14229 _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 PDB 2F1E . "Solution Structure Of Apag Protein" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 2 no DBJ BAE70294 . "ApaG protein [Xanthomonas oryzae pv. oryzae MAFF 311018]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 3 no EMBL CAJ22530 . "conserved hypothetical protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 100.00 127 99.21 100.00 5.85e-87 . . . . 5998 1 4 no EMBL CCF67043 . "protein ApaG [Xanthomonas axonopodis pv. punicae str. LMG 859]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 5 no EMBL CCG37804 . "ApaG protein [Xanthomonas citri pv. mangiferaeindicae LMG 941]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 6 no EMBL CDF60499 . "probable protein ApaG, associated with Co2+ and Mg2+ efflux [Xanthomonas fuscans subsp. fuscans]" . . . . . 100.00 127 99.21 100.00 5.85e-87 . . . . 5998 1 7 no EMBL CDN18027 . "protein ApaG [Xanthomonas campestris pv. viticola]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 8 no GB AAM35750 . "ApaG protein [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 9 no GB AAW77003 . "ApaG protein [Xanthomonas oryzae pv. oryzae KACC 10331]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 10 no GB ACD57769 . "ApaG protein [Xanthomonas oryzae pv. oryzae PXO99A]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 11 no GB AEO41147 . "Uncharacterized protein affecting Mg2+/Co2+ transport ApaG [Xanthomonas axonopodis pv. citrumelo F1]" . . . . . 100.00 127 99.21 100.00 5.85e-87 . . . . 5998 1 12 no GB AGH76402 . "CO2+/MG2+ efflux protein ApaG [Xanthomonas axonopodis Xac29-1]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 13 no REF NP_641214 . "ApaG protein [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 14 no REF WP_003487449 . "MULTISPECIES: magnesium transporter ApaG [Xanthomonas]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 15 no REF WP_007965232 . "MULTISPECIES: magnesium transporter ApaG [Xanthomonas]" . . . . . 100.00 127 99.21 100.00 5.85e-87 . . . . 5998 1 16 no REF WP_010367470 . "MULTISPECIES: magnesium transporter ApaG [Xanthomonas]" . . . . . 100.00 127 97.64 99.21 1.10e-85 . . . . 5998 1 17 no REF WP_011260169 . "magnesium transporter ApaG [Xanthomonas oryzae]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 18 no SP B2SPT2 . "RecName: Full=Protein ApaG [Xanthomonas oryzae pv. oryzae PXO99A]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 19 no SP Q2NZI3 . "RecName: Full=Protein ApaG [Xanthomonas oryzae pv. oryzae MAFF 311018]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 20 no SP Q3BX83 . "RecName: Full=Protein ApaG [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 100.00 127 99.21 100.00 5.85e-87 . . . . 5998 1 21 no SP Q5GWB8 . "RecName: Full=Protein ApaG [Xanthomonas oryzae pv. oryzae KACC 10331]" . . . . . 100.00 127 97.64 98.43 1.47e-84 . . . . 5998 1 22 no SP Q8PP26 . "RecName: Full=Protein ApaG [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 100.00 127 100.00 100.00 4.21e-87 . . . . 5998 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ApaG protein' common 5998 1 ApaG abbreviation 5998 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5998 1 2 . GLN . 5998 1 3 . ASP . 5998 1 4 . ASP . 5998 1 5 . PRO . 5998 1 6 . ARG . 5998 1 7 . TYR . 5998 1 8 . ARG . 5998 1 9 . VAL . 5998 1 10 . GLU . 5998 1 11 . VAL . 5998 1 12 . GLU . 5998 1 13 . VAL . 5998 1 14 . SER . 5998 1 15 . PRO . 5998 1 16 . ARG . 5998 1 17 . PHE . 5998 1 18 . LEU . 5998 1 19 . ALA . 5998 1 20 . HIS . 5998 1 21 . GLN . 5998 1 22 . SER . 5998 1 23 . THR . 5998 1 24 . PRO . 5998 1 25 . ASP . 5998 1 26 . GLU . 5998 1 27 . GLY . 5998 1 28 . ARG . 5998 1 29 . TYR . 5998 1 30 . ALA . 5998 1 31 . PHE . 5998 1 32 . ALA . 5998 1 33 . TYR . 5998 1 34 . SER . 5998 1 35 . ILE . 5998 1 36 . ARG . 5998 1 37 . ILE . 5998 1 38 . GLN . 5998 1 39 . ASN . 5998 1 40 . ALA . 5998 1 41 . GLY . 5998 1 42 . ALA . 5998 1 43 . VAL . 5998 1 44 . PRO . 5998 1 45 . ALA . 5998 1 46 . ARG . 5998 1 47 . LEU . 5998 1 48 . VAL . 5998 1 49 . ALA . 5998 1 50 . ARG . 5998 1 51 . HIS . 5998 1 52 . TRP . 5998 1 53 . GLN . 5998 1 54 . ILE . 5998 1 55 . THR . 5998 1 56 . ASP . 5998 1 57 . GLY . 5998 1 58 . ASN . 5998 1 59 . GLY . 5998 1 60 . ARG . 5998 1 61 . THR . 5998 1 62 . GLU . 5998 1 63 . GLN . 5998 1 64 . VAL . 5998 1 65 . ASP . 5998 1 66 . GLY . 5998 1 67 . GLU . 5998 1 68 . GLY . 5998 1 69 . VAL . 5998 1 70 . VAL . 5998 1 71 . GLY . 5998 1 72 . GLU . 5998 1 73 . GLN . 5998 1 74 . PRO . 5998 1 75 . TRP . 5998 1 76 . LEU . 5998 1 77 . ARG . 5998 1 78 . PRO . 5998 1 79 . GLY . 5998 1 80 . GLU . 5998 1 81 . ALA . 5998 1 82 . PHE . 5998 1 83 . HIS . 5998 1 84 . TYR . 5998 1 85 . THR . 5998 1 86 . SER . 5998 1 87 . GLY . 5998 1 88 . VAL . 5998 1 89 . LEU . 5998 1 90 . LEU . 5998 1 91 . GLU . 5998 1 92 . THR . 5998 1 93 . GLU . 5998 1 94 . GLN . 5998 1 95 . GLY . 5998 1 96 . GLN . 5998 1 97 . MET . 5998 1 98 . GLN . 5998 1 99 . GLY . 5998 1 100 . HIS . 5998 1 101 . TYR . 5998 1 102 . ASP . 5998 1 103 . MET . 5998 1 104 . VAL . 5998 1 105 . ALA . 5998 1 106 . ASP . 5998 1 107 . ASP . 5998 1 108 . GLY . 5998 1 109 . THR . 5998 1 110 . GLU . 5998 1 111 . PHE . 5998 1 112 . ILE . 5998 1 113 . ALA . 5998 1 114 . PRO . 5998 1 115 . ILE . 5998 1 116 . ALA . 5998 1 117 . ALA . 5998 1 118 . PHE . 5998 1 119 . VAL . 5998 1 120 . LEU . 5998 1 121 . SER . 5998 1 122 . VAL . 5998 1 123 . PRO . 5998 1 124 . ARG . 5998 1 125 . THR . 5998 1 126 . LEU . 5998 1 127 . HIS . 5998 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5998 1 . GLN 2 2 5998 1 . ASP 3 3 5998 1 . ASP 4 4 5998 1 . PRO 5 5 5998 1 . ARG 6 6 5998 1 . TYR 7 7 5998 1 . ARG 8 8 5998 1 . VAL 9 9 5998 1 . GLU 10 10 5998 1 . VAL 11 11 5998 1 . GLU 12 12 5998 1 . VAL 13 13 5998 1 . SER 14 14 5998 1 . PRO 15 15 5998 1 . ARG 16 16 5998 1 . PHE 17 17 5998 1 . LEU 18 18 5998 1 . ALA 19 19 5998 1 . HIS 20 20 5998 1 . GLN 21 21 5998 1 . SER 22 22 5998 1 . THR 23 23 5998 1 . PRO 24 24 5998 1 . ASP 25 25 5998 1 . GLU 26 26 5998 1 . GLY 27 27 5998 1 . ARG 28 28 5998 1 . TYR 29 29 5998 1 . ALA 30 30 5998 1 . PHE 31 31 5998 1 . ALA 32 32 5998 1 . TYR 33 33 5998 1 . SER 34 34 5998 1 . ILE 35 35 5998 1 . ARG 36 36 5998 1 . ILE 37 37 5998 1 . GLN 38 38 5998 1 . ASN 39 39 5998 1 . ALA 40 40 5998 1 . GLY 41 41 5998 1 . ALA 42 42 5998 1 . VAL 43 43 5998 1 . PRO 44 44 5998 1 . ALA 45 45 5998 1 . ARG 46 46 5998 1 . LEU 47 47 5998 1 . VAL 48 48 5998 1 . ALA 49 49 5998 1 . ARG 50 50 5998 1 . HIS 51 51 5998 1 . TRP 52 52 5998 1 . GLN 53 53 5998 1 . ILE 54 54 5998 1 . THR 55 55 5998 1 . ASP 56 56 5998 1 . GLY 57 57 5998 1 . ASN 58 58 5998 1 . GLY 59 59 5998 1 . ARG 60 60 5998 1 . THR 61 61 5998 1 . GLU 62 62 5998 1 . GLN 63 63 5998 1 . VAL 64 64 5998 1 . ASP 65 65 5998 1 . GLY 66 66 5998 1 . GLU 67 67 5998 1 . GLY 68 68 5998 1 . VAL 69 69 5998 1 . VAL 70 70 5998 1 . GLY 71 71 5998 1 . GLU 72 72 5998 1 . GLN 73 73 5998 1 . PRO 74 74 5998 1 . TRP 75 75 5998 1 . LEU 76 76 5998 1 . ARG 77 77 5998 1 . PRO 78 78 5998 1 . GLY 79 79 5998 1 . GLU 80 80 5998 1 . ALA 81 81 5998 1 . PHE 82 82 5998 1 . HIS 83 83 5998 1 . TYR 84 84 5998 1 . THR 85 85 5998 1 . SER 86 86 5998 1 . GLY 87 87 5998 1 . VAL 88 88 5998 1 . LEU 89 89 5998 1 . LEU 90 90 5998 1 . GLU 91 91 5998 1 . THR 92 92 5998 1 . GLU 93 93 5998 1 . GLN 94 94 5998 1 . GLY 95 95 5998 1 . GLN 96 96 5998 1 . MET 97 97 5998 1 . GLN 98 98 5998 1 . GLY 99 99 5998 1 . HIS 100 100 5998 1 . TYR 101 101 5998 1 . ASP 102 102 5998 1 . MET 103 103 5998 1 . VAL 104 104 5998 1 . ALA 105 105 5998 1 . ASP 106 106 5998 1 . ASP 107 107 5998 1 . GLY 108 108 5998 1 . THR 109 109 5998 1 . GLU 110 110 5998 1 . PHE 111 111 5998 1 . ILE 112 112 5998 1 . ALA 113 113 5998 1 . PRO 114 114 5998 1 . ILE 115 115 5998 1 . ALA 116 116 5998 1 . ALA 117 117 5998 1 . PHE 118 118 5998 1 . VAL 119 119 5998 1 . LEU 120 120 5998 1 . SER 121 121 5998 1 . VAL 122 122 5998 1 . PRO 123 123 5998 1 . ARG 124 124 5998 1 . THR 125 125 5998 1 . LEU 126 126 5998 1 . HIS 127 127 5998 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 5998 _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 $ApaG . 53413 . . 'Xanthomonas axonopodis' 'Xanthomonas axonopodis pv. citri' . . Eubacteria . Xanthomonas axonopodis . citri . . . . . . . . . . cytoplasm . . . apaG . . . . 5998 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 5998 _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 $ApaG . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'high protein yield, solubility and stability' . . 5998 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5998 _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 'ApaG protein' '[U-100% 13C; U-100% 15N]' . . 1 $ApaG . . 0.5 . . mM . . . . 5998 1 2 NaCl . . . . . . . 50 . . mM . . . . 5998 1 3 NaH2PO4 . . . . . . . 40 . . mM . . . . 5998 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5998 _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 6.8 0.2 na 5998 1 temperature 303 1 K 5998 1 'ionic strength' 0.06 . M 5998 1 stop_ save_ save_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_2 _Sample_condition_list.Entry_ID 5998 _Sample_condition_list.ID 2 _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 6.8 0.2 na 5998 2 temperature 303 1 K 5998 2 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5998 _Software.ID 1 _Software.Name nmrPipe _Software.Version 5.0 _Software.Details 'Delaglio et al., 1995' save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 5998 _Software.ID 2 _Software.Name nmrView _Software.Version 5.0 _Software.Details 'Delaglio et al., 1995' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5998 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5998 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5998 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 600 . . . 5998 1 2 NMR_spectrometer_2 Bruker DRX . 700 . . . 5998 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 5998 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 6 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 8 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 9 HACACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 10 NOESY-CHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 11 CHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 12 NHSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5998 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HACACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name NOESY-CHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name CHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5998 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name NHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5998 _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 . . . . . . . . . 5998 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5998 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5998 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_ApaG _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_ApaG _Assigned_chem_shift_list.Entry_ID 5998 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCA 1 $sample_1 . 5998 1 2 HN(CO)CA 1 $sample_1 . 5998 1 3 HNCO 1 $sample_1 . 5998 1 4 HN(CA)CO 1 $sample_1 . 5998 1 5 HNCACB 1 $sample_1 . 5998 1 6 CBCACONH 1 $sample_1 . 5998 1 7 HCCH-TOCSY 1 $sample_1 . 5998 1 8 HCCH-COSY 1 $sample_1 . 5998 1 9 HACACO 1 $sample_1 . 5998 1 10 NOESY-CHSQC 1 $sample_1 . 5998 1 11 CHSQC 1 $sample_1 . 5998 1 12 NHSQC 1 $sample_1 . 5998 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.3 0.2 . 1 . . . . . . . . 5998 1 2 . 1 1 1 1 MET HA H 1 4.14 0.02 . 1 . . . . . . . . 5998 1 3 . 1 1 1 1 MET CB C 13 32.3 0.2 . 1 . . . . . . . . 5998 1 4 . 1 1 1 1 MET HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5998 1 5 . 1 1 1 1 MET HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5998 1 6 . 1 1 1 1 MET CG C 13 30.2 0.2 . 1 . . . . . . . . 5998 1 7 . 1 1 1 1 MET HG3 H 1 2.68 0.02 . 1 . . . . . . . . 5998 1 8 . 1 1 1 1 MET HG2 H 1 2.68 0.02 . 1 . . . . . . . . 5998 1 9 . 1 1 1 1 MET CE C 13 16.1 0.2 . 1 . . . . . . . . 5998 1 10 . 1 1 1 1 MET HE1 H 1 2.17 0.02 . 1 . . . . . . . . 5998 1 11 . 1 1 1 1 MET HE2 H 1 2.17 0.02 . 1 . . . . . . . . 5998 1 12 . 1 1 1 1 MET HE3 H 1 2.17 0.02 . 1 . . . . . . . . 5998 1 13 . 1 1 1 1 MET C C 13 173.7 0.2 . 1 . . . . . . . . 5998 1 14 . 1 1 2 2 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 5998 1 15 . 1 1 2 2 GLN HA H 1 4.46 0.02 . 1 . . . . . . . . 5998 1 16 . 1 1 2 2 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 5998 1 17 . 1 1 2 2 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5998 1 18 . 1 1 2 2 GLN HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5998 1 19 . 1 1 2 2 GLN CG C 13 32.9 0.2 . 1 . . . . . . . . 5998 1 20 . 1 1 2 2 GLN HG3 H 1 2.43 0.02 . 1 . . . . . . . . 5998 1 21 . 1 1 2 2 GLN HG2 H 1 2.43 0.02 . 1 . . . . . . . . 5998 1 22 . 1 1 2 2 GLN C C 13 175.4 0.2 . 1 . . . . . . . . 5998 1 23 . 1 1 3 3 ASP N N 15 122.7 0.1 . 1 . . . . . . . . 5998 1 24 . 1 1 3 3 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5998 1 25 . 1 1 3 3 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 5998 1 26 . 1 1 3 3 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 5998 1 27 . 1 1 3 3 ASP CB C 13 40.1 0.2 . 1 . . . . . . . . 5998 1 28 . 1 1 3 3 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5998 1 29 . 1 1 3 3 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5998 1 30 . 1 1 3 3 ASP C C 13 175.5 0.2 . 1 . . . . . . . . 5998 1 31 . 1 1 4 4 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 5998 1 32 . 1 1 4 4 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 5998 1 33 . 1 1 4 4 ASP CA C 13 50.6 0.2 . 1 . . . . . . . . 5998 1 34 . 1 1 4 4 ASP HA H 1 4.94 0.02 . 1 . . . . . . . . 5998 1 35 . 1 1 4 4 ASP CB C 13 42.0 0.2 . 1 . . . . . . . . 5998 1 36 . 1 1 4 4 ASP HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5998 1 37 . 1 1 4 4 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5998 1 38 . 1 1 4 4 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 5998 1 39 . 1 1 5 5 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 5998 1 40 . 1 1 5 5 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 5998 1 41 . 1 1 5 5 PRO CB C 13 31.3 0.2 . 1 . . . . . . . . 5998 1 42 . 1 1 5 5 PRO HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5998 1 43 . 1 1 5 5 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5998 1 44 . 1 1 5 5 PRO CG C 13 25.9 0.2 . 1 . . . . . . . . 5998 1 45 . 1 1 5 5 PRO HG3 H 1 2.05 0.02 . 2 . . . . . . . . 5998 1 46 . 1 1 5 5 PRO HG2 H 1 1.93 0.02 . 2 . . . . . . . . 5998 1 47 . 1 1 5 5 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 5998 1 48 . 1 1 5 5 PRO HD3 H 1 3.89 0.02 . 2 . . . . . . . . 5998 1 49 . 1 1 5 5 PRO HD2 H 1 3.98 0.02 . 2 . . . . . . . . 5998 1 50 . 1 1 5 5 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 5998 1 51 . 1 1 6 6 ARG N N 15 118.8 0.1 . 1 . . . . . . . . 5998 1 52 . 1 1 6 6 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 5998 1 53 . 1 1 6 6 ARG CA C 13 58.0 0.2 . 1 . . . . . . . . 5998 1 54 . 1 1 6 6 ARG HA H 1 3.69 0.02 . 1 . . . . . . . . 5998 1 55 . 1 1 6 6 ARG CB C 13 29.3 0.2 . 1 . . . . . . . . 5998 1 56 . 1 1 6 6 ARG HB3 H 1 0.87 0.02 . 2 . . . . . . . . 5998 1 57 . 1 1 6 6 ARG HB2 H 1 0.96 0.02 . 2 . . . . . . . . 5998 1 58 . 1 1 6 6 ARG CG C 13 26.2 0.2 . 1 . . . . . . . . 5998 1 59 . 1 1 6 6 ARG HG3 H 1 1.22 0.02 . 2 . . . . . . . . 5998 1 60 . 1 1 6 6 ARG HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5998 1 61 . 1 1 6 6 ARG CD C 13 42.5 0.2 . 1 . . . . . . . . 5998 1 62 . 1 1 6 6 ARG HD3 H 1 2.93 0.02 . 2 . . . . . . . . 5998 1 63 . 1 1 6 6 ARG HD2 H 1 3.18 0.02 . 2 . . . . . . . . 5998 1 64 . 1 1 6 6 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 5998 1 65 . 1 1 7 7 TYR N N 15 118.9 0.1 . 1 . . . . . . . . 5998 1 66 . 1 1 7 7 TYR H H 1 7.05 0.02 . 1 . . . . . . . . 5998 1 67 . 1 1 7 7 TYR CA C 13 53.5 0.2 . 1 . . . . . . . . 5998 1 68 . 1 1 7 7 TYR HA H 1 4.28 0.02 . 1 . . . . . . . . 5998 1 69 . 1 1 7 7 TYR CB C 13 35.1 0.2 . 1 . . . . . . . . 5998 1 70 . 1 1 7 7 TYR HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5998 1 71 . 1 1 7 7 TYR HB2 H 1 0.68 0.02 . 2 . . . . . . . . 5998 1 72 . 1 1 7 7 TYR CD1 C 13 132.9 0.2 . 1 . . . . . . . . 5998 1 73 . 1 1 7 7 TYR HD1 H 1 6.62 0.02 . 1 . . . . . . . . 5998 1 74 . 1 1 7 7 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 5998 1 75 . 1 1 7 7 TYR HE1 H 1 7.11 0.02 . 1 . . . . . . . . 5998 1 76 . 1 1 7 7 TYR CE2 C 13 117.4 0.2 . 1 . . . . . . . . 5998 1 77 . 1 1 7 7 TYR HE2 H 1 7.11 0.02 . 1 . . . . . . . . 5998 1 78 . 1 1 7 7 TYR CD2 C 13 132.9 0.2 . 1 . . . . . . . . 5998 1 79 . 1 1 7 7 TYR HD2 H 1 6.62 0.02 . 1 . . . . . . . . 5998 1 80 . 1 1 7 7 TYR C C 13 174.0 0.2 . 1 . . . . . . . . 5998 1 81 . 1 1 8 8 ARG N N 15 124.7 0.1 . 1 . . . . . . . . 5998 1 82 . 1 1 8 8 ARG H H 1 8.81 0.02 . 1 . . . . . . . . 5998 1 83 . 1 1 8 8 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 5998 1 84 . 1 1 8 8 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . 5998 1 85 . 1 1 8 8 ARG CB C 13 29.7 0.2 . 1 . . . . . . . . 5998 1 86 . 1 1 8 8 ARG HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5998 1 87 . 1 1 8 8 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5998 1 88 . 1 1 8 8 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 5998 1 89 . 1 1 8 8 ARG HG3 H 1 1.51 0.02 . 2 . . . . . . . . 5998 1 90 . 1 1 8 8 ARG HG2 H 1 1.73 0.02 . 2 . . . . . . . . 5998 1 91 . 1 1 8 8 ARG CD C 13 42.5 0.2 . 1 . . . . . . . . 5998 1 92 . 1 1 8 8 ARG HD3 H 1 2.94 0.02 . 2 . . . . . . . . 5998 1 93 . 1 1 8 8 ARG HD2 H 1 3.29 0.02 . 2 . . . . . . . . 5998 1 94 . 1 1 8 8 ARG C C 13 173.6 0.2 . 1 . . . . . . . . 5998 1 95 . 1 1 9 9 VAL N N 15 128.7 0.1 . 1 . . . . . . . . 5998 1 96 . 1 1 9 9 VAL H H 1 9.06 0.02 . 1 . . . . . . . . 5998 1 97 . 1 1 9 9 VAL CA C 13 59.9 0.2 . 1 . . . . . . . . 5998 1 98 . 1 1 9 9 VAL HA H 1 4.98 0.02 . 1 . . . . . . . . 5998 1 99 . 1 1 9 9 VAL CB C 13 34.3 0.2 . 1 . . . . . . . . 5998 1 100 . 1 1 9 9 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 5998 1 101 . 1 1 9 9 VAL CG2 C 13 21.5 0.2 . 1 . . . . . . . . 5998 1 102 . 1 1 9 9 VAL HG21 H 1 1.10 0.02 . 2 . . . . . . . . 5998 1 103 . 1 1 9 9 VAL HG22 H 1 1.10 0.02 . 2 . . . . . . . . 5998 1 104 . 1 1 9 9 VAL HG23 H 1 1.10 0.02 . 2 . . . . . . . . 5998 1 105 . 1 1 9 9 VAL CG1 C 13 21.5 0.2 . 1 . . . . . . . . 5998 1 106 . 1 1 9 9 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5998 1 107 . 1 1 9 9 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5998 1 108 . 1 1 9 9 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5998 1 109 . 1 1 9 9 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 5998 1 110 . 1 1 10 10 GLU N N 15 127.2 0.1 . 1 . . . . . . . . 5998 1 111 . 1 1 10 10 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 5998 1 112 . 1 1 10 10 GLU CA C 13 54.0 0.2 . 1 . . . . . . . . 5998 1 113 . 1 1 10 10 GLU HA H 1 4.81 0.02 . 1 . . . . . . . . 5998 1 114 . 1 1 10 10 GLU CB C 13 31.6 0.2 . 1 . . . . . . . . 5998 1 115 . 1 1 10 10 GLU HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5998 1 116 . 1 1 10 10 GLU HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5998 1 117 . 1 1 10 10 GLU CG C 13 35.1 0.2 . 1 . . . . . . . . 5998 1 118 . 1 1 10 10 GLU HG3 H 1 2.17 0.02 . 1 . . . . . . . . 5998 1 119 . 1 1 10 10 GLU HG2 H 1 2.17 0.02 . 1 . . . . . . . . 5998 1 120 . 1 1 10 10 GLU C C 13 176.1 0.2 . 1 . . . . . . . . 5998 1 121 . 1 1 11 11 VAL N N 15 123.9 0.1 . 1 . . . . . . . . 5998 1 122 . 1 1 11 11 VAL H H 1 8.80 0.02 . 1 . . . . . . . . 5998 1 123 . 1 1 11 11 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 5998 1 124 . 1 1 11 11 VAL HA H 1 5.16 0.02 . 1 . . . . . . . . 5998 1 125 . 1 1 11 11 VAL CB C 13 33.9 0.2 . 1 . . . . . . . . 5998 1 126 . 1 1 11 11 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 5998 1 127 . 1 1 11 11 VAL CG2 C 13 20.5 0.2 . 1 . . . . . . . . 5998 1 128 . 1 1 11 11 VAL HG21 H 1 1.04 0.02 . 2 . . . . . . . . 5998 1 129 . 1 1 11 11 VAL HG22 H 1 1.04 0.02 . 2 . . . . . . . . 5998 1 130 . 1 1 11 11 VAL HG23 H 1 1.04 0.02 . 2 . . . . . . . . 5998 1 131 . 1 1 11 11 VAL CG1 C 13 22.0 0.2 . 1 . . . . . . . . 5998 1 132 . 1 1 11 11 VAL HG11 H 1 1.09 0.02 . 2 . . . . . . . . 5998 1 133 . 1 1 11 11 VAL HG12 H 1 1.09 0.02 . 2 . . . . . . . . 5998 1 134 . 1 1 11 11 VAL HG13 H 1 1.09 0.02 . 2 . . . . . . . . 5998 1 135 . 1 1 11 11 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 5998 1 136 . 1 1 12 12 GLU N N 15 129.6 0.1 . 1 . . . . . . . . 5998 1 137 . 1 1 12 12 GLU H H 1 9.12 0.02 . 1 . . . . . . . . 5998 1 138 . 1 1 12 12 GLU CA C 13 53.9 0.2 . 1 . . . . . . . . 5998 1 139 . 1 1 12 12 GLU HA H 1 4.82 0.02 . 1 . . . . . . . . 5998 1 140 . 1 1 12 12 GLU CB C 13 31.7 0.2 . 1 . . . . . . . . 5998 1 141 . 1 1 12 12 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5998 1 142 . 1 1 12 12 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5998 1 143 . 1 1 12 12 GLU CG C 13 31.1 0.2 . 1 . . . . . . . . 5998 1 144 . 1 1 12 12 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5998 1 145 . 1 1 12 12 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5998 1 146 . 1 1 12 12 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 5998 1 147 . 1 1 13 13 VAL N N 15 125.3 0.1 . 1 . . . . . . . . 5998 1 148 . 1 1 13 13 VAL H H 1 8.80 0.02 . 1 . . . . . . . . 5998 1 149 . 1 1 13 13 VAL CA C 13 60.1 0.2 . 1 . . . . . . . . 5998 1 150 . 1 1 13 13 VAL HA H 1 4.73 0.02 . 1 . . . . . . . . 5998 1 151 . 1 1 13 13 VAL CB C 13 33.5 0.2 . 1 . . . . . . . . 5998 1 152 . 1 1 13 13 VAL HB H 1 1.42 0.02 . 1 . . . . . . . . 5998 1 153 . 1 1 13 13 VAL CG2 C 13 19.8 0.2 . 1 . . . . . . . . 5998 1 154 . 1 1 13 13 VAL HG21 H 1 0.63 0.02 . 2 . . . . . . . . 5998 1 155 . 1 1 13 13 VAL HG22 H 1 0.63 0.02 . 2 . . . . . . . . 5998 1 156 . 1 1 13 13 VAL HG23 H 1 0.63 0.02 . 2 . . . . . . . . 5998 1 157 . 1 1 13 13 VAL CG1 C 13 18.9 0.2 . 1 . . . . . . . . 5998 1 158 . 1 1 13 13 VAL HG11 H 1 -0.10 0.02 . 2 . . . . . . . . 5998 1 159 . 1 1 13 13 VAL HG12 H 1 -0.10 0.02 . 2 . . . . . . . . 5998 1 160 . 1 1 13 13 VAL HG13 H 1 -0.10 0.02 . 2 . . . . . . . . 5998 1 161 . 1 1 13 13 VAL C C 13 175.7 0.2 . 1 . . . . . . . . 5998 1 162 . 1 1 14 14 SER N N 15 122.0 0.1 . 1 . . . . . . . . 5998 1 163 . 1 1 14 14 SER H H 1 8.83 0.02 . 1 . . . . . . . . 5998 1 164 . 1 1 14 14 SER CA C 13 53.4 0.2 . 1 . . . . . . . . 5998 1 165 . 1 1 14 14 SER HA H 1 5.17 0.02 . 1 . . . . . . . . 5998 1 166 . 1 1 14 14 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 5998 1 167 . 1 1 14 14 SER HB3 H 1 3.93 0.02 . 2 . . . . . . . . 5998 1 168 . 1 1 14 14 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 5998 1 169 . 1 1 14 14 SER C C 13 175.9 0.2 . 1 . . . . . . . . 5998 1 170 . 1 1 15 15 PRO CA C 13 60.8 0.2 . 1 . . . . . . . . 5998 1 171 . 1 1 15 15 PRO HA H 1 5.58 0.02 . 1 . . . . . . . . 5998 1 172 . 1 1 15 15 PRO CB C 13 33.2 0.2 . 1 . . . . . . . . 5998 1 173 . 1 1 15 15 PRO HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5998 1 174 . 1 1 15 15 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5998 1 175 . 1 1 15 15 PRO CG C 13 25.8 0.2 . 1 . . . . . . . . 5998 1 176 . 1 1 15 15 PRO HG3 H 1 2.43 0.02 . 2 . . . . . . . . 5998 1 177 . 1 1 15 15 PRO HG2 H 1 2.16 0.02 . 2 . . . . . . . . 5998 1 178 . 1 1 15 15 PRO CD C 13 50.2 0.2 . 1 . . . . . . . . 5998 1 179 . 1 1 15 15 PRO HD3 H 1 4.10 0.02 . 2 . . . . . . . . 5998 1 180 . 1 1 15 15 PRO HD2 H 1 3.46 0.02 . 2 . . . . . . . . 5998 1 181 . 1 1 15 15 PRO C C 13 176.9 0.2 . 1 . . . . . . . . 5998 1 182 . 1 1 16 16 ARG N N 15 119.1 0.1 . 1 . . . . . . . . 5998 1 183 . 1 1 16 16 ARG H H 1 9.49 0.02 . 1 . . . . . . . . 5998 1 184 . 1 1 16 16 ARG CA C 13 54.9 0.2 . 1 . . . . . . . . 5998 1 185 . 1 1 16 16 ARG HA H 1 4.98 0.02 . 1 . . . . . . . . 5998 1 186 . 1 1 16 16 ARG CB C 13 32.4 0.2 . 1 . . . . . . . . 5998 1 187 . 1 1 16 16 ARG HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5998 1 188 . 1 1 16 16 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5998 1 189 . 1 1 16 16 ARG CG C 13 25.6 0.2 . 1 . . . . . . . . 5998 1 190 . 1 1 16 16 ARG HG3 H 1 1.52 0.02 . 2 . . . . . . . . 5998 1 191 . 1 1 16 16 ARG HG2 H 1 1.70 0.02 . 2 . . . . . . . . 5998 1 192 . 1 1 16 16 ARG CD C 13 42.3 0.2 . 1 . . . . . . . . 5998 1 193 . 1 1 16 16 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 5998 1 194 . 1 1 16 16 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 5998 1 195 . 1 1 16 16 ARG C C 13 174.4 0.2 . 1 . . . . . . . . 5998 1 196 . 1 1 17 17 PHE N N 15 124.7 0.1 . 1 . . . . . . . . 5998 1 197 . 1 1 17 17 PHE H H 1 9.15 0.02 . 1 . . . . . . . . 5998 1 198 . 1 1 17 17 PHE CA C 13 56.0 0.2 . 1 . . . . . . . . 5998 1 199 . 1 1 17 17 PHE HA H 1 4.75 0.02 . 1 . . . . . . . . 5998 1 200 . 1 1 17 17 PHE CB C 13 39.1 0.2 . 1 . . . . . . . . 5998 1 201 . 1 1 17 17 PHE HB3 H 1 3.03 0.02 . 2 . . . . . . . . 5998 1 202 . 1 1 17 17 PHE CD1 C 13 131.8 0.2 . 1 . . . . . . . . 5998 1 203 . 1 1 17 17 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 5998 1 204 . 1 1 17 17 PHE CD2 C 13 131.8 0.2 . 1 . . . . . . . . 5998 1 205 . 1 1 17 17 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 5998 1 206 . 1 1 17 17 PHE C C 13 175.2 0.2 . 1 . . . . . . . . 5998 1 207 . 1 1 18 18 LEU N N 15 129.9 0.1 . 1 . . . . . . . . 5998 1 208 . 1 1 18 18 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 5998 1 209 . 1 1 18 18 LEU CA C 13 50.8 0.2 . 1 . . . . . . . . 5998 1 210 . 1 1 18 18 LEU HA H 1 4.43 0.02 . 1 . . . . . . . . 5998 1 211 . 1 1 18 18 LEU CB C 13 39.5 0.2 . 1 . . . . . . . . 5998 1 212 . 1 1 18 18 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5998 1 213 . 1 1 18 18 LEU HB2 H 1 0.75 0.02 . 2 . . . . . . . . 5998 1 214 . 1 1 18 18 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 5998 1 215 . 1 1 18 18 LEU CD1 C 13 21.6 0.2 . 1 . . . . . . . . 5998 1 216 . 1 1 18 18 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 5998 1 217 . 1 1 18 18 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 5998 1 218 . 1 1 18 18 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 5998 1 219 . 1 1 18 18 LEU CD2 C 13 24.9 0.2 . 1 . . . . . . . . 5998 1 220 . 1 1 18 18 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 5998 1 221 . 1 1 18 18 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 5998 1 222 . 1 1 18 18 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 5998 1 223 . 1 1 18 18 LEU C C 13 175.5 0.2 . 1 . . . . . . . . 5998 1 224 . 1 1 19 19 ALA CA C 13 54.67 0.2 . 1 . . . . . . . . 5998 1 225 . 1 1 19 19 ALA HA H 1 3.42 0.02 . 1 . . . . . . . . 5998 1 226 . 1 1 19 19 ALA CB C 13 17.6 0.2 . 1 . . . . . . . . 5998 1 227 . 1 1 19 19 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5998 1 228 . 1 1 19 19 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5998 1 229 . 1 1 19 19 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5998 1 230 . 1 1 20 20 HIS HA H 1 4.47 0.02 . 1 . . . . . . . . 5998 1 231 . 1 1 20 20 HIS HB3 H 1 3.11 0.02 . 1 . . . . . . . . 5998 1 232 . 1 1 20 20 HIS HB2 H 1 3.11 0.02 . 1 . . . . . . . . 5998 1 233 . 1 1 20 20 HIS CD2 C 13 118.8 0.2 . 1 . . . . . . . . 5998 1 234 . 1 1 20 20 HIS HD2 H 1 6.96 0.02 . 3 . . . . . . . . 5998 1 235 . 1 1 21 21 GLN CA C 13 55.8 0.2 . 1 . . . . . . . . 5998 1 236 . 1 1 21 21 GLN HA H 1 2.97 0.02 . 1 . . . . . . . . 5998 1 237 . 1 1 21 21 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 5998 1 238 . 1 1 21 21 GLN HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5998 1 239 . 1 1 21 21 GLN HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5998 1 240 . 1 1 21 21 GLN CG C 13 35.4 0.2 . 1 . . . . . . . . 5998 1 241 . 1 1 21 21 GLN HG3 H 1 1.95 0.02 . 1 . . . . . . . . 5998 1 242 . 1 1 21 21 GLN HG2 H 1 1.95 0.02 . 1 . . . . . . . . 5998 1 243 . 1 1 21 21 GLN C C 13 174.3 0.2 . 1 . . . . . . . . 5998 1 244 . 1 1 22 22 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 5998 1 245 . 1 1 22 22 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5998 1 246 . 1 1 22 22 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5998 1 247 . 1 1 22 22 SER HB3 H 1 3.86 0.02 . 2 . . . . . . . . 5998 1 248 . 1 1 22 22 SER HB2 H 1 4.05 0.02 . 2 . . . . . . . . 5998 1 249 . 1 1 22 22 SER C C 13 173.0 0.2 . 1 . . . . . . . . 5998 1 250 . 1 1 23 23 THR N N 15 116.4 0.1 . 1 . . . . . . . . 5998 1 251 . 1 1 23 23 THR H H 1 8.72 0.02 . 1 . . . . . . . . 5998 1 252 . 1 1 23 23 THR CA C 13 57.7 0.2 . 1 . . . . . . . . 5998 1 253 . 1 1 23 23 THR HA H 1 4.61 0.02 . 1 . . . . . . . . 5998 1 254 . 1 1 23 23 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 5998 1 255 . 1 1 23 23 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 5998 1 256 . 1 1 23 23 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5998 1 257 . 1 1 23 23 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 5998 1 258 . 1 1 23 23 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 5998 1 259 . 1 1 23 23 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 5998 1 260 . 1 1 23 23 THR C C 13 173.8 0.2 . 1 . . . . . . . . 5998 1 261 . 1 1 24 24 PRO CA C 13 64.7 0.2 . 1 . . . . . . . . 5998 1 262 . 1 1 24 24 PRO HA H 1 3.44 0.02 . 1 . . . . . . . . 5998 1 263 . 1 1 24 24 PRO CB C 13 31.5 0.2 . 1 . . . . . . . . 5998 1 264 . 1 1 24 24 PRO HB3 H 1 2.46 0.02 . 2 . . . . . . . . 5998 1 265 . 1 1 24 24 PRO HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5998 1 266 . 1 1 24 24 PRO CG C 13 26.7 0.2 . 1 . . . . . . . . 5998 1 267 . 1 1 24 24 PRO HG3 H 1 2.28 0.02 . 2 . . . . . . . . 5998 1 268 . 1 1 24 24 PRO HG2 H 1 1.79 0.02 . 2 . . . . . . . . 5998 1 269 . 1 1 24 24 PRO CD C 13 49.8 0.2 . 1 . . . . . . . . 5998 1 270 . 1 1 24 24 PRO HD3 H 1 3.86 0.02 . 2 . . . . . . . . 5998 1 271 . 1 1 24 24 PRO HD2 H 1 3.38 0.02 . 2 . . . . . . . . 5998 1 272 . 1 1 24 24 PRO C C 13 178.7 0.2 . 1 . . . . . . . . 5998 1 273 . 1 1 25 25 ASP N N 15 116.2 0.1 . 1 . . . . . . . . 5998 1 274 . 1 1 25 25 ASP H H 1 8.68 0.02 . 1 . . . . . . . . 5998 1 275 . 1 1 25 25 ASP CA C 13 55.1 0.2 . 1 . . . . . . . . 5998 1 276 . 1 1 25 25 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 5998 1 277 . 1 1 25 25 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 5998 1 278 . 1 1 25 25 ASP HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5998 1 279 . 1 1 25 25 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5998 1 280 . 1 1 25 25 ASP C C 13 177.2 0.2 . 1 . . . . . . . . 5998 1 281 . 1 1 26 26 GLU N N 15 117.3 0.1 . 1 . . . . . . . . 5998 1 282 . 1 1 26 26 GLU H H 1 7.52 0.02 . 1 . . . . . . . . 5998 1 283 . 1 1 26 26 GLU CA C 13 54.1 0.2 . 1 . . . . . . . . 5998 1 284 . 1 1 26 26 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . 5998 1 285 . 1 1 26 26 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 5998 1 286 . 1 1 26 26 GLU HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5998 1 287 . 1 1 26 26 GLU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5998 1 288 . 1 1 26 26 GLU CG C 13 35.5 0.2 . 1 . . . . . . . . 5998 1 289 . 1 1 26 26 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5998 1 290 . 1 1 26 26 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 5998 1 291 . 1 1 26 26 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 5998 1 292 . 1 1 27 27 GLY N N 15 109.3 0.1 . 1 . . . . . . . . 5998 1 293 . 1 1 27 27 GLY H H 1 7.95 0.02 . 1 . . . . . . . . 5998 1 294 . 1 1 27 27 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 5998 1 295 . 1 1 27 27 GLY HA3 H 1 4.05 0.02 . 2 . . . . . . . . 5998 1 296 . 1 1 27 27 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 5998 1 297 . 1 1 27 27 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 5998 1 298 . 1 1 28 28 ARG N N 15 117.4 0.1 . 1 . . . . . . . . 5998 1 299 . 1 1 28 28 ARG H H 1 8.67 0.02 . 1 . . . . . . . . 5998 1 300 . 1 1 28 28 ARG CA C 13 59.6 0.2 . 1 . . . . . . . . 5998 1 301 . 1 1 28 28 ARG HA H 1 4.64 0.02 . 1 . . . . . . . . 5998 1 302 . 1 1 28 28 ARG CB C 13 31.8 0.2 . 1 . . . . . . . . 5998 1 303 . 1 1 28 28 ARG C C 13 170.8 0.2 . 1 . . . . . . . . 5998 1 304 . 1 1 29 29 TYR N N 15 125.1 0.1 . 1 . . . . . . . . 5998 1 305 . 1 1 29 29 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 5998 1 306 . 1 1 29 29 TYR CA C 13 56.8 0.2 . 1 . . . . . . . . 5998 1 307 . 1 1 29 29 TYR HA H 1 4.46 0.02 . 1 . . . . . . . . 5998 1 308 . 1 1 29 29 TYR CB C 13 38.9 0.2 . 1 . . . . . . . . 5998 1 309 . 1 1 29 29 TYR HB3 H 1 3.06 0.02 . 2 . . . . . . . . 5998 1 310 . 1 1 29 29 TYR HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5998 1 311 . 1 1 29 29 TYR CD1 C 13 133.3 0.2 . 1 . . . . . . . . 5998 1 312 . 1 1 29 29 TYR HD1 H 1 6.76 0.02 . 1 . . . . . . . . 5998 1 313 . 1 1 29 29 TYR CE1 C 13 117.5 0.2 . 1 . . . . . . . . 5998 1 314 . 1 1 29 29 TYR HE1 H 1 6.66 0.02 . 1 . . . . . . . . 5998 1 315 . 1 1 29 29 TYR CE2 C 13 117.5 0.2 . 1 . . . . . . . . 5998 1 316 . 1 1 29 29 TYR HE2 H 1 6.66 0.02 . 1 . . . . . . . . 5998 1 317 . 1 1 29 29 TYR CD2 C 13 133.3 0.2 . 1 . . . . . . . . 5998 1 318 . 1 1 29 29 TYR HD2 H 1 6.76 0.02 . 1 . . . . . . . . 5998 1 319 . 1 1 29 29 TYR C C 13 172.6 0.2 . 1 . . . . . . . . 5998 1 320 . 1 1 30 30 ALA N N 15 128.9 0.1 . 1 . . . . . . . . 5998 1 321 . 1 1 30 30 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 5998 1 322 . 1 1 30 30 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 5998 1 323 . 1 1 30 30 ALA HA H 1 4.98 0.02 . 1 . . . . . . . . 5998 1 324 . 1 1 30 30 ALA CB C 13 20.2 0.2 . 1 . . . . . . . . 5998 1 325 . 1 1 30 30 ALA HB1 H 1 1.17 0.02 . 1 . . . . . . . . 5998 1 326 . 1 1 30 30 ALA HB2 H 1 1.17 0.02 . 1 . . . . . . . . 5998 1 327 . 1 1 30 30 ALA HB3 H 1 1.17 0.02 . 1 . . . . . . . . 5998 1 328 . 1 1 30 30 ALA C C 13 173.5 0.2 . 1 . . . . . . . . 5998 1 329 . 1 1 31 31 PHE N N 15 118.6 0.1 . 1 . . . . . . . . 5998 1 330 . 1 1 31 31 PHE H H 1 8.87 0.02 . 1 . . . . . . . . 5998 1 331 . 1 1 31 31 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . 5998 1 332 . 1 1 31 31 PHE HA H 1 5.22 0.02 . 1 . . . . . . . . 5998 1 333 . 1 1 31 31 PHE CB C 13 42.6 0.2 . 1 . . . . . . . . 5998 1 334 . 1 1 31 31 PHE HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5998 1 335 . 1 1 31 31 PHE HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5998 1 336 . 1 1 31 31 PHE HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5998 1 337 . 1 1 31 31 PHE HD2 H 1 7.21 0.02 . 1 . . . . . . . . 5998 1 338 . 1 1 31 31 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 5998 1 339 . 1 1 32 32 ALA N N 15 124.0 0.1 . 1 . . . . . . . . 5998 1 340 . 1 1 32 32 ALA H H 1 9.41 0.02 . 1 . . . . . . . . 5998 1 341 . 1 1 32 32 ALA CA C 13 49.0 0.2 . 1 . . . . . . . . 5998 1 342 . 1 1 32 32 ALA HA H 1 5.34 0.02 . 1 . . . . . . . . 5998 1 343 . 1 1 32 32 ALA CB C 13 22.2 0.2 . 1 . . . . . . . . 5998 1 344 . 1 1 32 32 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5998 1 345 . 1 1 32 32 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5998 1 346 . 1 1 32 32 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5998 1 347 . 1 1 32 32 ALA C C 13 175.0 0.2 . 1 . . . . . . . . 5998 1 348 . 1 1 33 33 TYR N N 15 114.8 0.1 . 1 . . . . . . . . 5998 1 349 . 1 1 33 33 TYR H H 1 8.18 0.02 . 1 . . . . . . . . 5998 1 350 . 1 1 33 33 TYR CA C 13 54.8 0.2 . 1 . . . . . . . . 5998 1 351 . 1 1 33 33 TYR HA H 1 5.16 0.02 . 1 . . . . . . . . 5998 1 352 . 1 1 33 33 TYR CB C 13 38.4 0.2 . 1 . . . . . . . . 5998 1 353 . 1 1 33 33 TYR HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5998 1 354 . 1 1 33 33 TYR HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5998 1 355 . 1 1 33 33 TYR CD1 C 13 133.1 0.2 . 1 . . . . . . . . 5998 1 356 . 1 1 33 33 TYR HD1 H 1 6.51 0.02 . 1 . . . . . . . . 5998 1 357 . 1 1 33 33 TYR CE1 C 13 116.5 0.2 . 1 . . . . . . . . 5998 1 358 . 1 1 33 33 TYR HE1 H 1 6.37 0.02 . 1 . . . . . . . . 5998 1 359 . 1 1 33 33 TYR CE2 C 13 116.5 0.2 . 1 . . . . . . . . 5998 1 360 . 1 1 33 33 TYR HE2 H 1 6.37 0.02 . 1 . . . . . . . . 5998 1 361 . 1 1 33 33 TYR CD2 C 13 133.1 0.2 . 1 . . . . . . . . 5998 1 362 . 1 1 33 33 TYR HD2 H 1 6.51 0.02 . 1 . . . . . . . . 5998 1 363 . 1 1 33 33 TYR C C 13 173.2 0.2 . 1 . . . . . . . . 5998 1 364 . 1 1 34 34 SER N N 15 118.7 0.1 . 1 . . . . . . . . 5998 1 365 . 1 1 34 34 SER H H 1 7.93 0.02 . 1 . . . . . . . . 5998 1 366 . 1 1 34 34 SER CA C 13 55.8 0.2 . 1 . . . . . . . . 5998 1 367 . 1 1 34 34 SER HA H 1 5.17 0.02 . 1 . . . . . . . . 5998 1 368 . 1 1 34 34 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 5998 1 369 . 1 1 34 34 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 5998 1 370 . 1 1 34 34 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 5998 1 371 . 1 1 34 34 SER C C 13 173.4 0.2 . 1 . . . . . . . . 5998 1 372 . 1 1 35 35 ILE N N 15 128.4 0.1 . 1 . . . . . . . . 5998 1 373 . 1 1 35 35 ILE H H 1 9.18 0.02 . 1 . . . . . . . . 5998 1 374 . 1 1 35 35 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 5998 1 375 . 1 1 35 35 ILE HA H 1 4.98 0.02 . 1 . . . . . . . . 5998 1 376 . 1 1 35 35 ILE CB C 13 40.0 0.2 . 1 . . . . . . . . 5998 1 377 . 1 1 35 35 ILE HB H 1 1.28 0.02 . 1 . . . . . . . . 5998 1 378 . 1 1 35 35 ILE CG1 C 13 27.8 0.2 . 2 . . . . . . . . 5998 1 379 . 1 1 35 35 ILE HG13 H 1 1.45 0.02 . 1 . . . . . . . . 5998 1 380 . 1 1 35 35 ILE HG12 H 1 1.08 0.02 . 1 . . . . . . . . 5998 1 381 . 1 1 35 35 ILE CD1 C 13 12.7 0.2 . 1 . . . . . . . . 5998 1 382 . 1 1 35 35 ILE HD11 H 1 1.06 0.02 . 1 . . . . . . . . 5998 1 383 . 1 1 35 35 ILE HD12 H 1 1.06 0.02 . 1 . . . . . . . . 5998 1 384 . 1 1 35 35 ILE HD13 H 1 1.06 0.02 . 1 . . . . . . . . 5998 1 385 . 1 1 35 35 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 5998 1 386 . 1 1 35 35 ILE HG21 H 1 1.13 0.02 . 1 . . . . . . . . 5998 1 387 . 1 1 35 35 ILE HG22 H 1 1.13 0.02 . 1 . . . . . . . . 5998 1 388 . 1 1 35 35 ILE HG23 H 1 1.13 0.02 . 1 . . . . . . . . 5998 1 389 . 1 1 35 35 ILE C C 13 174.9 0.2 . 1 . . . . . . . . 5998 1 390 . 1 1 36 36 ARG N N 15 128.5 0.1 . 1 . . . . . . . . 5998 1 391 . 1 1 36 36 ARG H H 1 8.71 0.02 . 1 . . . . . . . . 5998 1 392 . 1 1 36 36 ARG CA C 13 53.9 0.2 . 1 . . . . . . . . 5998 1 393 . 1 1 36 36 ARG HA H 1 4.93 0.02 . 1 . . . . . . . . 5998 1 394 . 1 1 36 36 ARG CB C 13 32.5 0.2 . 1 . . . . . . . . 5998 1 395 . 1 1 36 36 ARG HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5998 1 396 . 1 1 36 36 ARG HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5998 1 397 . 1 1 36 36 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 5998 1 398 . 1 1 36 36 ARG HG3 H 1 1.17 0.02 . 2 . . . . . . . . 5998 1 399 . 1 1 36 36 ARG HG2 H 1 1.06 0.02 . 2 . . . . . . . . 5998 1 400 . 1 1 36 36 ARG CD C 13 42.6 0.2 . 1 . . . . . . . . 5998 1 401 . 1 1 36 36 ARG HD3 H 1 3.17 0.02 . 1 . . . . . . . . 5998 1 402 . 1 1 36 36 ARG HD2 H 1 3.17 0.02 . 1 . . . . . . . . 5998 1 403 . 1 1 36 36 ARG C C 13 175.3 0.2 . 1 . . . . . . . . 5998 1 404 . 1 1 37 37 ILE N N 15 129.1 0.1 . 1 . . . . . . . . 5998 1 405 . 1 1 37 37 ILE H H 1 9.31 0.02 . 1 . . . . . . . . 5998 1 406 . 1 1 37 37 ILE CA C 13 59.4 0.2 . 1 . . . . . . . . 5998 1 407 . 1 1 37 37 ILE HA H 1 4.93 0.02 . 1 . . . . . . . . 5998 1 408 . 1 1 37 37 ILE CB C 13 40.3 0.2 . 1 . . . . . . . . 5998 1 409 . 1 1 37 37 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 5998 1 410 . 1 1 37 37 ILE CG1 C 13 28.0 0.2 . 2 . . . . . . . . 5998 1 411 . 1 1 37 37 ILE HG13 H 1 1.83 0.02 . 1 . . . . . . . . 5998 1 412 . 1 1 37 37 ILE HG12 H 1 1.05 0.02 . 1 . . . . . . . . 5998 1 413 . 1 1 37 37 ILE CD1 C 13 14.8 0.2 . 1 . . . . . . . . 5998 1 414 . 1 1 37 37 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5998 1 415 . 1 1 37 37 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5998 1 416 . 1 1 37 37 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5998 1 417 . 1 1 37 37 ILE CG2 C 13 18.0 0.2 . 1 . . . . . . . . 5998 1 418 . 1 1 37 37 ILE HG21 H 1 0.71 0.02 . 1 . . . . . . . . 5998 1 419 . 1 1 37 37 ILE HG22 H 1 0.71 0.02 . 1 . . . . . . . . 5998 1 420 . 1 1 37 37 ILE HG23 H 1 0.71 0.02 . 1 . . . . . . . . 5998 1 421 . 1 1 37 37 ILE C C 13 174.8 0.2 . 1 . . . . . . . . 5998 1 422 . 1 1 38 38 GLN N N 15 125.6 0.1 . 1 . . . . . . . . 5998 1 423 . 1 1 38 38 GLN H H 1 9.30 0.02 . 1 . . . . . . . . 5998 1 424 . 1 1 38 38 GLN CA C 13 52.9 0.2 . 1 . . . . . . . . 5998 1 425 . 1 1 38 38 GLN HA H 1 5.40 0.02 . 1 . . . . . . . . 5998 1 426 . 1 1 38 38 GLN CB C 13 29.95 0.2 . 1 . . . . . . . . 5998 1 427 . 1 1 38 38 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5998 1 428 . 1 1 38 38 GLN HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5998 1 429 . 1 1 38 38 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 5998 1 430 . 1 1 38 38 GLN HG3 H 1 2.43 0.02 . 1 . . . . . . . . 5998 1 431 . 1 1 38 38 GLN HG2 H 1 2.43 0.02 . 1 . . . . . . . . 5998 1 432 . 1 1 38 38 GLN C C 13 175.9 0.2 . 1 . . . . . . . . 5998 1 433 . 1 1 39 39 ASN N N 15 123.3 0.1 . 1 . . . . . . . . 5998 1 434 . 1 1 39 39 ASN H H 1 8.52 0.02 . 1 . . . . . . . . 5998 1 435 . 1 1 39 39 ASN CA C 13 52.3 0.2 . 1 . . . . . . . . 5998 1 436 . 1 1 39 39 ASN HA H 1 4.95 0.02 . 1 . . . . . . . . 5998 1 437 . 1 1 39 39 ASN CB C 13 36.2 0.2 . 1 . . . . . . . . 5998 1 438 . 1 1 39 39 ASN HB3 H 1 3.61 0.02 . 2 . . . . . . . . 5998 1 439 . 1 1 39 39 ASN HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5998 1 440 . 1 1 39 39 ASN C C 13 174.2 0.2 . 1 . . . . . . . . 5998 1 441 . 1 1 40 40 ALA N N 15 134.6 0.1 . 1 . . . . . . . . 5998 1 442 . 1 1 40 40 ALA H H 1 8.65 0.02 . 1 . . . . . . . . 5998 1 443 . 1 1 40 40 ALA CA C 13 50.1 0.2 . 1 . . . . . . . . 5998 1 444 . 1 1 40 40 ALA HA H 1 4.87 0.02 . 1 . . . . . . . . 5998 1 445 . 1 1 40 40 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 5998 1 446 . 1 1 40 40 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 5998 1 447 . 1 1 40 40 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 5998 1 448 . 1 1 40 40 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 5998 1 449 . 1 1 40 40 ALA C C 13 176.9 0.2 . 1 . . . . . . . . 5998 1 450 . 1 1 41 41 GLY N N 15 111.5 0.1 . 1 . . . . . . . . 5998 1 451 . 1 1 41 41 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 5998 1 452 . 1 1 41 41 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . 5998 1 453 . 1 1 41 41 GLY HA3 H 1 4.52 0.02 . 2 . . . . . . . . 5998 1 454 . 1 1 41 41 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 5998 1 455 . 1 1 41 41 GLY C C 13 173.6 0.2 . 1 . . . . . . . . 5998 1 456 . 1 1 42 42 ALA N N 15 119.0 0.1 . 1 . . . . . . . . 5998 1 457 . 1 1 42 42 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 5998 1 458 . 1 1 42 42 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 5998 1 459 . 1 1 42 42 ALA HA H 1 4.58 0.02 . 1 . . . . . . . . 5998 1 460 . 1 1 42 42 ALA CB C 13 20.6 0.2 . 1 . . . . . . . . 5998 1 461 . 1 1 42 42 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5998 1 462 . 1 1 42 42 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5998 1 463 . 1 1 42 42 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5998 1 464 . 1 1 42 42 ALA C C 13 177.1 0.2 . 1 . . . . . . . . 5998 1 465 . 1 1 43 43 VAL N N 15 116.2 0.1 . 1 . . . . . . . . 5998 1 466 . 1 1 43 43 VAL H H 1 7.26 0.02 . 1 . . . . . . . . 5998 1 467 . 1 1 43 43 VAL CA C 13 57.1 0.2 . 1 . . . . . . . . 5998 1 468 . 1 1 43 43 VAL HA H 1 4.87 0.02 . 1 . . . . . . . . 5998 1 469 . 1 1 43 43 VAL CB C 13 34.2 0.2 . 1 . . . . . . . . 5998 1 470 . 1 1 43 43 VAL HB H 1 2.22 0.02 . 1 . . . . . . . . 5998 1 471 . 1 1 43 43 VAL CG2 C 13 19.7 0.2 . 1 . . . . . . . . 5998 1 472 . 1 1 43 43 VAL HG21 H 1 0.93 0.02 . 2 . . . . . . . . 5998 1 473 . 1 1 43 43 VAL HG22 H 1 0.93 0.02 . 2 . . . . . . . . 5998 1 474 . 1 1 43 43 VAL HG23 H 1 0.93 0.02 . 2 . . . . . . . . 5998 1 475 . 1 1 43 43 VAL CG1 C 13 20.7 0.2 . 1 . . . . . . . . 5998 1 476 . 1 1 43 43 VAL HG11 H 1 1.27 0.02 . 2 . . . . . . . . 5998 1 477 . 1 1 43 43 VAL HG12 H 1 1.27 0.02 . 2 . . . . . . . . 5998 1 478 . 1 1 43 43 VAL HG13 H 1 1.27 0.02 . 2 . . . . . . . . 5998 1 479 . 1 1 43 43 VAL C C 13 174.3 0.2 . 1 . . . . . . . . 5998 1 480 . 1 1 44 44 PRO CA C 13 62.2 0.2 . 1 . . . . . . . . 5998 1 481 . 1 1 44 44 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 5998 1 482 . 1 1 44 44 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 5998 1 483 . 1 1 44 44 PRO HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5998 1 484 . 1 1 44 44 PRO HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5998 1 485 . 1 1 44 44 PRO CG C 13 27.7 0.2 . 1 . . . . . . . . 5998 1 486 . 1 1 44 44 PRO HG3 H 1 1.83 0.02 . 2 . . . . . . . . 5998 1 487 . 1 1 44 44 PRO HG2 H 1 2.41 0.02 . 2 . . . . . . . . 5998 1 488 . 1 1 44 44 PRO CD C 13 51.2 0.2 . 1 . . . . . . . . 5998 1 489 . 1 1 44 44 PRO HD3 H 1 4.12 0.02 . 2 . . . . . . . . 5998 1 490 . 1 1 44 44 PRO HD2 H 1 3.77 0.02 . 2 . . . . . . . . 5998 1 491 . 1 1 44 44 PRO C C 13 174.4 0.2 . 1 . . . . . . . . 5998 1 492 . 1 1 45 45 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 5998 1 493 . 1 1 45 45 ALA H H 1 8.02 0.02 . 1 . . . . . . . . 5998 1 494 . 1 1 45 45 ALA CA C 13 50.4 0.2 . 1 . . . . . . . . 5998 1 495 . 1 1 45 45 ALA HA H 1 5.16 0.02 . 1 . . . . . . . . 5998 1 496 . 1 1 45 45 ALA CB C 13 22.3 0.2 . 1 . . . . . . . . 5998 1 497 . 1 1 45 45 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5998 1 498 . 1 1 45 45 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5998 1 499 . 1 1 45 45 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5998 1 500 . 1 1 45 45 ALA C C 13 173.5 0.2 . 1 . . . . . . . . 5998 1 501 . 1 1 46 46 ARG N N 15 122.7 0.1 . 1 . . . . . . . . 5998 1 502 . 1 1 46 46 ARG H H 1 8.80 0.02 . 1 . . . . . . . . 5998 1 503 . 1 1 46 46 ARG CA C 13 52.2 0.2 . 1 . . . . . . . . 5998 1 504 . 1 1 46 46 ARG HA H 1 5.28 0.02 . 1 . . . . . . . . 5998 1 505 . 1 1 46 46 ARG CB C 13 32.8 0.2 . 1 . . . . . . . . 5998 1 506 . 1 1 46 46 ARG HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5998 1 507 . 1 1 46 46 ARG HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5998 1 508 . 1 1 46 46 ARG CG C 13 26.6 0.2 . 1 . . . . . . . . 5998 1 509 . 1 1 46 46 ARG HG3 H 1 1.04 0.02 . 2 . . . . . . . . 5998 1 510 . 1 1 46 46 ARG HG2 H 1 1.12 0.02 . 2 . . . . . . . . 5998 1 511 . 1 1 46 46 ARG CD C 13 42.4 0.2 . 1 . . . . . . . . 5998 1 512 . 1 1 46 46 ARG HD3 H 1 2.82 0.02 . 2 . . . . . . . . 5998 1 513 . 1 1 46 46 ARG HD2 H 1 3.04 0.02 . 2 . . . . . . . . 5998 1 514 . 1 1 46 46 ARG C C 13 174.6 0.2 . 1 . . . . . . . . 5998 1 515 . 1 1 47 47 LEU N N 15 131.9 0.1 . 1 . . . . . . . . 5998 1 516 . 1 1 47 47 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 5998 1 517 . 1 1 47 47 LEU CA C 13 54.4 0.2 . 1 . . . . . . . . 5998 1 518 . 1 1 47 47 LEU HA H 1 4.76 0.02 . 1 . . . . . . . . 5998 1 519 . 1 1 47 47 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 5998 1 520 . 1 1 47 47 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 5998 1 521 . 1 1 47 47 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5998 1 522 . 1 1 47 47 LEU CD1 C 13 26.5 0.2 . 1 . . . . . . . . 5998 1 523 . 1 1 47 47 LEU HD11 H 1 -0.05 0.02 . 2 . . . . . . . . 5998 1 524 . 1 1 47 47 LEU HD12 H 1 -0.05 0.02 . 2 . . . . . . . . 5998 1 525 . 1 1 47 47 LEU HD13 H 1 -0.05 0.02 . 2 . . . . . . . . 5998 1 526 . 1 1 47 47 LEU CD2 C 13 22.7 0.2 . 1 . . . . . . . . 5998 1 527 . 1 1 47 47 LEU HD21 H 1 0.41 0.02 . 2 . . . . . . . . 5998 1 528 . 1 1 47 47 LEU HD22 H 1 0.41 0.02 . 2 . . . . . . . . 5998 1 529 . 1 1 47 47 LEU HD23 H 1 0.41 0.02 . 2 . . . . . . . . 5998 1 530 . 1 1 47 47 LEU C C 13 175.6 0.2 . 1 . . . . . . . . 5998 1 531 . 1 1 48 48 VAL N N 15 118.7 0.1 . 1 . . . . . . . . 5998 1 532 . 1 1 48 48 VAL H H 1 8.61 0.02 . 1 . . . . . . . . 5998 1 533 . 1 1 48 48 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 5998 1 534 . 1 1 48 48 VAL HA H 1 4.40 0.02 . 1 . . . . . . . . 5998 1 535 . 1 1 48 48 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 5998 1 536 . 1 1 48 48 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 5998 1 537 . 1 1 48 48 VAL CG2 C 13 20.6 0.2 . 1 . . . . . . . . 5998 1 538 . 1 1 48 48 VAL HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 539 . 1 1 48 48 VAL HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 540 . 1 1 48 48 VAL HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 541 . 1 1 48 48 VAL CG1 C 13 19.2 0.2 . 1 . . . . . . . . 5998 1 542 . 1 1 48 48 VAL HG11 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 543 . 1 1 48 48 VAL HG12 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 544 . 1 1 48 48 VAL HG13 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 545 . 1 1 48 48 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 5998 1 546 . 1 1 49 49 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5998 1 547 . 1 1 49 49 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 5998 1 548 . 1 1 49 49 ALA CA C 13 51.1 0.2 . 1 . . . . . . . . 5998 1 549 . 1 1 49 49 ALA HA H 1 5.04 0.02 . 1 . . . . . . . . 5998 1 550 . 1 1 49 49 ALA CB C 13 21.5 0.2 . 1 . . . . . . . . 5998 1 551 . 1 1 49 49 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5998 1 552 . 1 1 49 49 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5998 1 553 . 1 1 49 49 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5998 1 554 . 1 1 49 49 ALA C C 13 174.4 0.2 . 1 . . . . . . . . 5998 1 555 . 1 1 50 50 ARG N N 15 118.5 0.1 . 1 . . . . . . . . 5998 1 556 . 1 1 50 50 ARG H H 1 8.91 0.02 . 1 . . . . . . . . 5998 1 557 . 1 1 50 50 ARG CA C 13 52.3 0.2 . 1 . . . . . . . . 5998 1 558 . 1 1 50 50 ARG HA H 1 4.93 0.02 . 1 . . . . . . . . 5998 1 559 . 1 1 50 50 ARG CB C 13 32.8 0.2 . 1 . . . . . . . . 5998 1 560 . 1 1 50 50 ARG HB3 H 1 2.32 0.02 . 2 . . . . . . . . 5998 1 561 . 1 1 50 50 ARG HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5998 1 562 . 1 1 50 50 ARG HG3 H 1 1.13 0.02 . 2 . . . . . . . . 5998 1 563 . 1 1 50 50 ARG HG2 H 1 1.11 0.02 . 2 . . . . . . . . 5998 1 564 . 1 1 50 50 ARG HD3 H 1 3.08 0.02 . 2 . . . . . . . . 5998 1 565 . 1 1 50 50 ARG C C 13 172.3 0.2 . 1 . . . . . . . . 5998 1 566 . 1 1 51 51 HIS N N 15 119.2 0.1 . 1 . . . . . . . . 5998 1 567 . 1 1 51 51 HIS H H 1 7.27 0.02 . 1 . . . . . . . . 5998 1 568 . 1 1 51 51 HIS CA C 13 52.9 0.2 . 1 . . . . . . . . 5998 1 569 . 1 1 51 51 HIS HA H 1 5.32 0.02 . 1 . . . . . . . . 5998 1 570 . 1 1 51 51 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 5998 1 571 . 1 1 51 51 HIS HB3 H 1 2.74 0.02 . 2 . . . . . . . . 5998 1 572 . 1 1 51 51 HIS HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5998 1 573 . 1 1 51 51 HIS CD2 C 13 120.0 0.2 . 1 . . . . . . . . 5998 1 574 . 1 1 51 51 HIS HD2 H 1 6.12 0.02 . 3 . . . . . . . . 5998 1 575 . 1 1 51 51 HIS C C 13 173.2 0.2 . 1 . . . . . . . . 5998 1 576 . 1 1 52 52 TRP N N 15 121.7 0.1 . 1 . . . . . . . . 5998 1 577 . 1 1 52 52 TRP H H 1 9.49 0.02 . 1 . . . . . . . . 5998 1 578 . 1 1 52 52 TRP CA C 13 54.5 0.2 . 1 . . . . . . . . 5998 1 579 . 1 1 52 52 TRP HA H 1 5.54 0.02 . 1 . . . . . . . . 5998 1 580 . 1 1 52 52 TRP CB C 13 33.9 0.2 . 1 . . . . . . . . 5998 1 581 . 1 1 52 52 TRP HB3 H 1 3.06 0.02 . 1 . . . . . . . . 5998 1 582 . 1 1 52 52 TRP HB2 H 1 3.06 0.02 . 1 . . . . . . . . 5998 1 583 . 1 1 52 52 TRP CD1 C 13 125.3 0.2 . 3 . . . . . . . . 5998 1 584 . 1 1 52 52 TRP HD1 H 1 6.84 0.02 . 1 . . . . . . . . 5998 1 585 . 1 1 52 52 TRP CZ2 C 13 114.1 0.2 . 3 . . . . . . . . 5998 1 586 . 1 1 52 52 TRP HZ2 H 1 7.38 0.02 . 3 . . . . . . . . 5998 1 587 . 1 1 52 52 TRP CH2 C 13 124.0 0.2 . 1 . . . . . . . . 5998 1 588 . 1 1 52 52 TRP HH2 H 1 6.88 0.02 . 1 . . . . . . . . 5998 1 589 . 1 1 52 52 TRP CZ3 C 13 120.4 0.2 . 3 . . . . . . . . 5998 1 590 . 1 1 52 52 TRP HZ3 H 1 6.69 0.02 . 3 . . . . . . . . 5998 1 591 . 1 1 52 52 TRP CE3 C 13 120.1 0.2 . 3 . . . . . . . . 5998 1 592 . 1 1 52 52 TRP HE3 H 1 7.35 0.02 . 3 . . . . . . . . 5998 1 593 . 1 1 52 52 TRP C C 13 173.7 0.2 . 1 . . . . . . . . 5998 1 594 . 1 1 53 53 GLN N N 15 122.0 0.1 . 1 . . . . . . . . 5998 1 595 . 1 1 53 53 GLN H H 1 9.58 0.02 . 1 . . . . . . . . 5998 1 596 . 1 1 53 53 GLN CA C 13 54.8 0.2 . 1 . . . . . . . . 5998 1 597 . 1 1 53 53 GLN HA H 1 5.15 0.02 . 1 . . . . . . . . 5998 1 598 . 1 1 53 53 GLN CB C 13 30.0 0.2 . 1 . . . . . . . . 5998 1 599 . 1 1 53 53 GLN HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5998 1 600 . 1 1 53 53 GLN HG2 H 1 2.29 0.02 . 2 . . . . . . . . 5998 1 601 . 1 1 53 53 GLN C C 13 175.7 0.2 . 1 . . . . . . . . 5998 1 602 . 1 1 54 54 ILE N N 15 129.5 0.1 . 1 . . . . . . . . 5998 1 603 . 1 1 54 54 ILE H H 1 9.28 0.02 . 1 . . . . . . . . 5998 1 604 . 1 1 54 54 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 5998 1 605 . 1 1 54 54 ILE HA H 1 4.64 0.02 . 1 . . . . . . . . 5998 1 606 . 1 1 54 54 ILE CB C 13 39.9 0.2 . 1 . . . . . . . . 5998 1 607 . 1 1 54 54 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5998 1 608 . 1 1 54 54 ILE CG1 C 13 27.1 0.2 . 2 . . . . . . . . 5998 1 609 . 1 1 54 54 ILE HG13 H 1 1.51 0.02 . 1 . . . . . . . . 5998 1 610 . 1 1 54 54 ILE HG12 H 1 1.00 0.02 . 1 . . . . . . . . 5998 1 611 . 1 1 54 54 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 5998 1 612 . 1 1 54 54 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5998 1 613 . 1 1 54 54 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5998 1 614 . 1 1 54 54 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5998 1 615 . 1 1 54 54 ILE CG2 C 13 17.0 0.2 . 1 . . . . . . . . 5998 1 616 . 1 1 54 54 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5998 1 617 . 1 1 54 54 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5998 1 618 . 1 1 54 54 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5998 1 619 . 1 1 54 54 ILE C C 13 175.8 0.2 . 1 . . . . . . . . 5998 1 620 . 1 1 55 55 THR N N 15 126.7 0.1 . 1 . . . . . . . . 5998 1 621 . 1 1 55 55 THR H H 1 9.25 0.02 . 1 . . . . . . . . 5998 1 622 . 1 1 55 55 THR CA C 13 60.4 0.2 . 1 . . . . . . . . 5998 1 623 . 1 1 55 55 THR HA H 1 5.28 0.02 . 1 . . . . . . . . 5998 1 624 . 1 1 55 55 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 5998 1 625 . 1 1 55 55 THR HB H 1 3.80 0.02 . 1 . . . . . . . . 5998 1 626 . 1 1 55 55 THR CG2 C 13 20.0 0.2 . 1 . . . . . . . . 5998 1 627 . 1 1 55 55 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 5998 1 628 . 1 1 55 55 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 5998 1 629 . 1 1 55 55 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 5998 1 630 . 1 1 55 55 THR C C 13 174.0 0.2 . 1 . . . . . . . . 5998 1 631 . 1 1 56 56 ASP N N 15 127.5 0.1 . 1 . . . . . . . . 5998 1 632 . 1 1 56 56 ASP H H 1 8.72 0.02 . 1 . . . . . . . . 5998 1 633 . 1 1 56 56 ASP CA C 13 51.3 0.2 . 1 . . . . . . . . 5998 1 634 . 1 1 56 56 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 5998 1 635 . 1 1 56 56 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5998 1 636 . 1 1 56 56 ASP HB3 H 1 2.96 0.02 . 2 . . . . . . . . 5998 1 637 . 1 1 56 56 ASP HB2 H 1 3.59 0.02 . 2 . . . . . . . . 5998 1 638 . 1 1 56 56 ASP C C 13 179.1 0.2 . 1 . . . . . . . . 5998 1 639 . 1 1 57 57 GLY N N 15 108.2 0.1 . 1 . . . . . . . . 5998 1 640 . 1 1 57 57 GLY H H 1 8.95 0.02 . 1 . . . . . . . . 5998 1 641 . 1 1 57 57 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5998 1 642 . 1 1 57 57 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 5998 1 643 . 1 1 57 57 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5998 1 644 . 1 1 57 57 GLY C C 13 175.5 0.2 . 1 . . . . . . . . 5998 1 645 . 1 1 58 58 ASN N N 15 118.6 0.1 . 1 . . . . . . . . 5998 1 646 . 1 1 58 58 ASN H H 1 8.57 0.02 . 1 . . . . . . . . 5998 1 647 . 1 1 58 58 ASN CA C 13 51.6 0.2 . 1 . . . . . . . . 5998 1 648 . 1 1 58 58 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 5998 1 649 . 1 1 58 58 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 5998 1 650 . 1 1 58 58 ASN HB3 H 1 2.99 0.02 . 1 . . . . . . . . 5998 1 651 . 1 1 58 58 ASN HB2 H 1 2.99 0.02 . 1 . . . . . . . . 5998 1 652 . 1 1 58 58 ASN C C 13 176.3 0.2 . 1 . . . . . . . . 5998 1 653 . 1 1 59 59 GLY N N 15 109.7 0.1 . 1 . . . . . . . . 5998 1 654 . 1 1 59 59 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 5998 1 655 . 1 1 59 59 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 5998 1 656 . 1 1 59 59 GLY HA3 H 1 4.23 0.02 . 2 . . . . . . . . 5998 1 657 . 1 1 59 59 GLY HA2 H 1 3.53 0.02 . 2 . . . . . . . . 5998 1 658 . 1 1 59 59 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 5998 1 659 . 1 1 60 60 ARG N N 15 124.3 0.1 . 1 . . . . . . . . 5998 1 660 . 1 1 60 60 ARG H H 1 8.17 0.02 . 1 . . . . . . . . 5998 1 661 . 1 1 60 60 ARG CA C 13 55.5 0.2 . 1 . . . . . . . . 5998 1 662 . 1 1 60 60 ARG HA H 1 4.43 0.02 . 1 . . . . . . . . 5998 1 663 . 1 1 60 60 ARG CB C 13 31.4 0.2 . 1 . . . . . . . . 5998 1 664 . 1 1 60 60 ARG HB3 H 1 1.45 0.02 . 2 . . . . . . . . 5998 1 665 . 1 1 60 60 ARG HB2 H 1 1.71 0.02 . 2 . . . . . . . . 5998 1 666 . 1 1 60 60 ARG CG C 13 26.5 0.2 . 1 . . . . . . . . 5998 1 667 . 1 1 60 60 ARG HG3 H 1 1.23 0.02 . 2 . . . . . . . . 5998 1 668 . 1 1 60 60 ARG HG2 H 1 1.38 0.02 . 2 . . . . . . . . 5998 1 669 . 1 1 60 60 ARG CD C 13 42.8 0.2 . 1 . . . . . . . . 5998 1 670 . 1 1 60 60 ARG HD3 H 1 2.85 0.02 . 2 . . . . . . . . 5998 1 671 . 1 1 60 60 ARG HD2 H 1 3.11 0.02 . 2 . . . . . . . . 5998 1 672 . 1 1 60 60 ARG C C 13 176.7 0.2 . 1 . . . . . . . . 5998 1 673 . 1 1 61 61 THR N N 15 123.0 0.1 . 1 . . . . . . . . 5998 1 674 . 1 1 61 61 THR H H 1 8.70 0.02 . 1 . . . . . . . . 5998 1 675 . 1 1 61 61 THR CA C 13 60.2 0.2 . 1 . . . . . . . . 5998 1 676 . 1 1 61 61 THR HA H 1 5.57 0.02 . 1 . . . . . . . . 5998 1 677 . 1 1 61 61 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 5998 1 678 . 1 1 61 61 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 5998 1 679 . 1 1 61 61 THR CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5998 1 680 . 1 1 61 61 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 5998 1 681 . 1 1 61 61 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 5998 1 682 . 1 1 61 61 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 5998 1 683 . 1 1 61 61 THR C C 13 174.3 0.2 . 1 . . . . . . . . 5998 1 684 . 1 1 62 62 GLU N N 15 127.8 0.1 . 1 . . . . . . . . 5998 1 685 . 1 1 62 62 GLU H H 1 9.21 0.02 . 1 . . . . . . . . 5998 1 686 . 1 1 62 62 GLU CA C 13 53.9 0.2 . 1 . . . . . . . . 5998 1 687 . 1 1 62 62 GLU HA H 1 4.73 0.02 . 1 . . . . . . . . 5998 1 688 . 1 1 62 62 GLU CB C 13 32.3 0.2 . 1 . . . . . . . . 5998 1 689 . 1 1 62 62 GLU HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5998 1 690 . 1 1 62 62 GLU HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5998 1 691 . 1 1 62 62 GLU CG C 13 35.2 0.2 . 1 . . . . . . . . 5998 1 692 . 1 1 62 62 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 5998 1 693 . 1 1 62 62 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 5998 1 694 . 1 1 62 62 GLU C C 13 174.8 0.2 . 1 . . . . . . . . 5998 1 695 . 1 1 63 63 GLN CA C 13 53.6 0.2 . 1 . . . . . . . . 5998 1 696 . 1 1 63 63 GLN HA H 1 5.41 0.02 . 1 . . . . . . . . 5998 1 697 . 1 1 63 63 GLN CB C 13 31.8 0.2 . 1 . . . . . . . . 5998 1 698 . 1 1 63 63 GLN HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5998 1 699 . 1 1 63 63 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5998 1 700 . 1 1 63 63 GLN CG C 13 32.1 0.2 . 1 . . . . . . . . 5998 1 701 . 1 1 63 63 GLN HG3 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 702 . 1 1 63 63 GLN HG2 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 703 . 1 1 63 63 GLN C C 13 176.2 0.2 . 1 . . . . . . . . 5998 1 704 . 1 1 64 64 VAL N N 15 125.9 0.1 . 1 . . . . . . . . 5998 1 705 . 1 1 64 64 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 5998 1 706 . 1 1 64 64 VAL CA C 13 60.7 0.2 . 1 . . . . . . . . 5998 1 707 . 1 1 64 64 VAL HA H 1 4.51 0.02 . 1 . . . . . . . . 5998 1 708 . 1 1 64 64 VAL CB C 13 34.7 0.2 . 1 . . . . . . . . 5998 1 709 . 1 1 64 64 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 5998 1 710 . 1 1 64 64 VAL CG2 C 13 20.0 0.2 . 1 . . . . . . . . 5998 1 711 . 1 1 64 64 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 5998 1 712 . 1 1 64 64 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 5998 1 713 . 1 1 64 64 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 5998 1 714 . 1 1 64 64 VAL CG1 C 13 20.1 0.2 . 1 . . . . . . . . 5998 1 715 . 1 1 64 64 VAL HG11 H 1 0.96 0.02 . 2 . . . . . . . . 5998 1 716 . 1 1 64 64 VAL HG12 H 1 0.96 0.02 . 2 . . . . . . . . 5998 1 717 . 1 1 64 64 VAL HG13 H 1 0.96 0.02 . 2 . . . . . . . . 5998 1 718 . 1 1 64 64 VAL C C 13 174.2 0.2 . 1 . . . . . . . . 5998 1 719 . 1 1 65 65 ASP N N 15 126.5 0.1 . 1 . . . . . . . . 5998 1 720 . 1 1 65 65 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 5998 1 721 . 1 1 65 65 ASP CA C 13 51.7 0.2 . 1 . . . . . . . . 5998 1 722 . 1 1 65 65 ASP HA H 1 5.71 0.02 . 1 . . . . . . . . 5998 1 723 . 1 1 65 65 ASP CB C 13 44.4 0.2 . 1 . . . . . . . . 5998 1 724 . 1 1 65 65 ASP HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5998 1 725 . 1 1 65 65 ASP HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5998 1 726 . 1 1 65 65 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 5998 1 727 . 1 1 66 66 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 5998 1 728 . 1 1 66 66 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 5998 1 729 . 1 1 66 66 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 5998 1 730 . 1 1 66 66 GLY HA3 H 1 4.40 0.02 . 2 . . . . . . . . 5998 1 731 . 1 1 66 66 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 5998 1 732 . 1 1 66 66 GLY C C 13 172.0 0.2 . 1 . . . . . . . . 5998 1 733 . 1 1 67 67 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 5998 1 734 . 1 1 67 67 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 5998 1 735 . 1 1 67 67 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 5998 1 736 . 1 1 67 67 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 5998 1 737 . 1 1 67 67 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 5998 1 738 . 1 1 67 67 GLU HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5998 1 739 . 1 1 67 67 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5998 1 740 . 1 1 67 67 GLU CG C 13 35.4 0.2 . 1 . . . . . . . . 5998 1 741 . 1 1 67 67 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 5998 1 742 . 1 1 67 67 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5998 1 743 . 1 1 67 67 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 5998 1 744 . 1 1 68 68 GLY N N 15 111.8 0.1 . 1 . . . . . . . . 5998 1 745 . 1 1 68 68 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 5998 1 746 . 1 1 68 68 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 5998 1 747 . 1 1 68 68 GLY HA3 H 1 3.30 0.02 . 2 . . . . . . . . 5998 1 748 . 1 1 68 68 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 5998 1 749 . 1 1 68 68 GLY C C 13 171.7 0.2 . 1 . . . . . . . . 5998 1 750 . 1 1 69 69 VAL N N 15 112.9 0.1 . 1 . . . . . . . . 5998 1 751 . 1 1 69 69 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 5998 1 752 . 1 1 69 69 VAL CA C 13 59.1 0.2 . 1 . . . . . . . . 5998 1 753 . 1 1 69 69 VAL HA H 1 4.29 0.02 . 1 . . . . . . . . 5998 1 754 . 1 1 69 69 VAL CB C 13 34.0 0.2 . 1 . . . . . . . . 5998 1 755 . 1 1 69 69 VAL HB H 1 1.04 0.02 . 1 . . . . . . . . 5998 1 756 . 1 1 69 69 VAL CG2 C 13 24.6 0.2 . 1 . . . . . . . . 5998 1 757 . 1 1 69 69 VAL HG21 H 1 0.73 0.02 . 2 . . . . . . . . 5998 1 758 . 1 1 69 69 VAL HG22 H 1 0.73 0.02 . 2 . . . . . . . . 5998 1 759 . 1 1 69 69 VAL HG23 H 1 0.73 0.02 . 2 . . . . . . . . 5998 1 760 . 1 1 69 69 VAL CG1 C 13 18.5 0.2 . 1 . . . . . . . . 5998 1 761 . 1 1 69 69 VAL HG11 H 1 0.36 0.02 . 2 . . . . . . . . 5998 1 762 . 1 1 69 69 VAL HG12 H 1 0.36 0.02 . 2 . . . . . . . . 5998 1 763 . 1 1 69 69 VAL HG13 H 1 0.36 0.02 . 2 . . . . . . . . 5998 1 764 . 1 1 69 69 VAL C C 13 171.5 0.2 . 1 . . . . . . . . 5998 1 765 . 1 1 70 70 VAL CA C 13 61.3 0.2 . 1 . . . . . . . . 5998 1 766 . 1 1 70 70 VAL HA H 1 4.17 0.02 . 1 . . . . . . . . 5998 1 767 . 1 1 70 70 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 5998 1 768 . 1 1 70 70 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5998 1 769 . 1 1 70 70 VAL CG2 C 13 20.5 0.2 . 1 . . . . . . . . 5998 1 770 . 1 1 70 70 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . 5998 1 771 . 1 1 70 70 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . 5998 1 772 . 1 1 70 70 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . 5998 1 773 . 1 1 70 70 VAL CG1 C 13 19.1 0.2 . 1 . . . . . . . . 5998 1 774 . 1 1 70 70 VAL HG11 H 1 0.96 0.02 . 1 . . . . . . . . 5998 1 775 . 1 1 70 70 VAL HG12 H 1 0.96 0.02 . 1 . . . . . . . . 5998 1 776 . 1 1 70 70 VAL HG13 H 1 0.96 0.02 . 1 . . . . . . . . 5998 1 777 . 1 1 70 70 VAL C C 13 176.0 0.2 . 1 . . . . . . . . 5998 1 778 . 1 1 71 71 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 5998 1 779 . 1 1 71 71 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 5998 1 780 . 1 1 71 71 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 5998 1 781 . 1 1 71 71 GLY HA3 H 1 4.20 0.02 . 2 . . . . . . . . 5998 1 782 . 1 1 71 71 GLY HA2 H 1 3.68 0.02 . 2 . . . . . . . . 5998 1 783 . 1 1 71 71 GLY C C 13 174.8 0.2 . 1 . . . . . . . . 5998 1 784 . 1 1 72 72 GLU N N 15 121.9 0.1 . 1 . . . . . . . . 5998 1 785 . 1 1 72 72 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 5998 1 786 . 1 1 72 72 GLU CA C 13 53.8 0.2 . 1 . . . . . . . . 5998 1 787 . 1 1 72 72 GLU HA H 1 4.69 0.02 . 1 . . . . . . . . 5998 1 788 . 1 1 72 72 GLU CB C 13 32.4 0.2 . 1 . . . . . . . . 5998 1 789 . 1 1 72 72 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 790 . 1 1 72 72 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 791 . 1 1 72 72 GLU CG C 13 35.2 0.2 . 1 . . . . . . . . 5998 1 792 . 1 1 72 72 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5998 1 793 . 1 1 72 72 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5998 1 794 . 1 1 72 72 GLU C C 13 174.8 0.2 . 1 . . . . . . . . 5998 1 795 . 1 1 73 73 GLN N N 15 119.6 0.1 . 1 . . . . . . . . 5998 1 796 . 1 1 73 73 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 5998 1 797 . 1 1 73 73 GLN CA C 13 52.0 0.2 . 1 . . . . . . . . 5998 1 798 . 1 1 73 73 GLN HA H 1 4.99 0.02 . 1 . . . . . . . . 5998 1 799 . 1 1 73 73 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 5998 1 800 . 1 1 73 73 GLN HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5998 1 801 . 1 1 73 73 GLN HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5998 1 802 . 1 1 73 73 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 5998 1 803 . 1 1 73 73 GLN HG3 H 1 2.09 0.02 . 1 . . . . . . . . 5998 1 804 . 1 1 73 73 GLN HG2 H 1 2.09 0.02 . 1 . . . . . . . . 5998 1 805 . 1 1 73 73 GLN C C 13 175.3 0.2 . 1 . . . . . . . . 5998 1 806 . 1 1 74 74 PRO CA C 13 62.3 0.2 . 1 . . . . . . . . 5998 1 807 . 1 1 74 74 PRO HA H 1 4.21 0.02 . 1 . . . . . . . . 5998 1 808 . 1 1 74 74 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 5998 1 809 . 1 1 74 74 PRO HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5998 1 810 . 1 1 74 74 PRO HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5998 1 811 . 1 1 74 74 PRO CG C 13 24.9 0.2 . 1 . . . . . . . . 5998 1 812 . 1 1 74 74 PRO HG3 H 1 0.34 0.02 . 2 . . . . . . . . 5998 1 813 . 1 1 74 74 PRO HG2 H 1 1.09 0.02 . 2 . . . . . . . . 5998 1 814 . 1 1 74 74 PRO CD C 13 49.5 0.2 . 1 . . . . . . . . 5998 1 815 . 1 1 74 74 PRO HD3 H 1 2.87 0.02 . 2 . . . . . . . . 5998 1 816 . 1 1 74 74 PRO HD2 H 1 3.51 0.02 . 2 . . . . . . . . 5998 1 817 . 1 1 74 74 PRO C C 13 175.3 0.2 . 1 . . . . . . . . 5998 1 818 . 1 1 75 75 TRP N N 15 123.8 0.1 . 1 . . . . . . . . 5998 1 819 . 1 1 75 75 TRP H H 1 8.40 0.02 . 1 . . . . . . . . 5998 1 820 . 1 1 75 75 TRP CA C 13 56.2 0.2 . 1 . . . . . . . . 5998 1 821 . 1 1 75 75 TRP HA H 1 4.81 0.02 . 1 . . . . . . . . 5998 1 822 . 1 1 75 75 TRP CB C 13 29.4 0.2 . 1 . . . . . . . . 5998 1 823 . 1 1 75 75 TRP HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5998 1 824 . 1 1 75 75 TRP HB2 H 1 3.33 0.02 . 2 . . . . . . . . 5998 1 825 . 1 1 75 75 TRP CD1 C 13 126.0 0.2 . 3 . . . . . . . . 5998 1 826 . 1 1 75 75 TRP HD1 H 1 7.05 0.02 . 1 . . . . . . . . 5998 1 827 . 1 1 75 75 TRP NE1 N 15 134.4 0.1 . 1 . . . . . . . . 5998 1 828 . 1 1 75 75 TRP HE1 H 1 11.4 0.02 . 3 . . . . . . . . 5998 1 829 . 1 1 75 75 TRP CZ2 C 13 114.8 0.2 . 3 . . . . . . . . 5998 1 830 . 1 1 75 75 TRP HZ2 H 1 7.55 0.02 . 3 . . . . . . . . 5998 1 831 . 1 1 75 75 TRP CH2 C 13 123.7 0.2 . 1 . . . . . . . . 5998 1 832 . 1 1 75 75 TRP HH2 H 1 7.07 0.02 . 1 . . . . . . . . 5998 1 833 . 1 1 75 75 TRP CZ3 C 13 121.1 0.2 . 3 . . . . . . . . 5998 1 834 . 1 1 75 75 TRP HZ3 H 1 6.97 0.02 . 3 . . . . . . . . 5998 1 835 . 1 1 75 75 TRP CE3 C 13 120.3 0.2 . 3 . . . . . . . . 5998 1 836 . 1 1 75 75 TRP HE3 H 1 7.47 0.02 . 3 . . . . . . . . 5998 1 837 . 1 1 75 75 TRP C C 13 175.8 0.2 . 1 . . . . . . . . 5998 1 838 . 1 1 76 76 LEU N N 15 126.2 0.1 . 1 . . . . . . . . 5998 1 839 . 1 1 76 76 LEU H H 1 8.72 0.02 . 1 . . . . . . . . 5998 1 840 . 1 1 76 76 LEU CA C 13 51.9 0.2 . 1 . . . . . . . . 5998 1 841 . 1 1 76 76 LEU HA H 1 4.75 0.02 . 1 . . . . . . . . 5998 1 842 . 1 1 76 76 LEU CB C 13 44.7 0.2 . 1 . . . . . . . . 5998 1 843 . 1 1 76 76 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . 5998 1 844 . 1 1 76 76 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5998 1 845 . 1 1 76 76 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 5998 1 846 . 1 1 76 76 LEU CD1 C 13 23.7 0.2 . 1 . . . . . . . . 5998 1 847 . 1 1 76 76 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5998 1 848 . 1 1 76 76 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5998 1 849 . 1 1 76 76 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5998 1 850 . 1 1 76 76 LEU CD2 C 13 24.6 0.2 . 1 . . . . . . . . 5998 1 851 . 1 1 76 76 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 5998 1 852 . 1 1 76 76 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 5998 1 853 . 1 1 76 76 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 5998 1 854 . 1 1 76 76 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 5998 1 855 . 1 1 77 77 ARG N N 15 127.9 0.1 . 1 . . . . . . . . 5998 1 856 . 1 1 77 77 ARG H H 1 9.30 0.02 . 1 . . . . . . . . 5998 1 857 . 1 1 77 77 ARG CA C 13 53.8 0.2 . 1 . . . . . . . . 5998 1 858 . 1 1 77 77 ARG HA H 1 4.71 0.02 . 1 . . . . . . . . 5998 1 859 . 1 1 77 77 ARG CB C 13 31.4 0.2 . 1 . . . . . . . . 5998 1 860 . 1 1 77 77 ARG HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5998 1 861 . 1 1 77 77 ARG HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5998 1 862 . 1 1 77 77 ARG CG C 13 26.6 0.2 . 1 . . . . . . . . 5998 1 863 . 1 1 77 77 ARG HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5998 1 864 . 1 1 77 77 ARG HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5998 1 865 . 1 1 77 77 ARG CD C 13 42.5 0.2 . 1 . . . . . . . . 5998 1 866 . 1 1 77 77 ARG HD3 H 1 3.18 0.02 . 1 . . . . . . . . 5998 1 867 . 1 1 77 77 ARG HD2 H 1 3.18 0.02 . 1 . . . . . . . . 5998 1 868 . 1 1 77 77 ARG C C 13 173.9 0.2 . 1 . . . . . . . . 5998 1 869 . 1 1 78 78 PRO CA C 13 64.4 0.2 . 1 . . . . . . . . 5998 1 870 . 1 1 78 78 PRO HA H 1 3.75 0.02 . 1 . . . . . . . . 5998 1 871 . 1 1 78 78 PRO CB C 13 30.4 0.2 . 1 . . . . . . . . 5998 1 872 . 1 1 78 78 PRO HB3 H 1 2.46 0.02 . 2 . . . . . . . . 5998 1 873 . 1 1 78 78 PRO HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5998 1 874 . 1 1 78 78 PRO CG C 13 27.1 0.2 . 1 . . . . . . . . 5998 1 875 . 1 1 78 78 PRO HG3 H 1 1.98 0.02 . 2 . . . . . . . . 5998 1 876 . 1 1 78 78 PRO HG2 H 1 1.29 0.02 . 2 . . . . . . . . 5998 1 877 . 1 1 78 78 PRO CD C 13 49.2 0.2 . 1 . . . . . . . . 5998 1 878 . 1 1 78 78 PRO HD3 H 1 3.03 0.02 . 2 . . . . . . . . 5998 1 879 . 1 1 78 78 PRO HD2 H 1 3.6 0.02 . 2 . . . . . . . . 5998 1 880 . 1 1 78 78 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 5998 1 881 . 1 1 79 79 GLY N N 15 115.2 0.1 . 1 . . . . . . . . 5998 1 882 . 1 1 79 79 GLY H H 1 9.08 0.02 . 1 . . . . . . . . 5998 1 883 . 1 1 79 79 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 5998 1 884 . 1 1 79 79 GLY HA3 H 1 4.34 0.02 . 2 . . . . . . . . 5998 1 885 . 1 1 79 79 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 5998 1 886 . 1 1 79 79 GLY C C 13 174.8 0.2 . 1 . . . . . . . . 5998 1 887 . 1 1 80 80 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 5998 1 888 . 1 1 80 80 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5998 1 889 . 1 1 80 80 GLU CA C 13 55.4 0.2 . 1 . . . . . . . . 5998 1 890 . 1 1 80 80 GLU HA H 1 4.52 0.02 . 1 . . . . . . . . 5998 1 891 . 1 1 80 80 GLU CB C 13 31.0 0.2 . 1 . . . . . . . . 5998 1 892 . 1 1 80 80 GLU HB3 H 1 2.20 0.02 . 2 . . . . . . . . 5998 1 893 . 1 1 80 80 GLU HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5998 1 894 . 1 1 80 80 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 5998 1 895 . 1 1 80 80 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5998 1 896 . 1 1 80 80 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5998 1 897 . 1 1 80 80 GLU C C 13 174.7 0.2 . 1 . . . . . . . . 5998 1 898 . 1 1 81 81 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 5998 1 899 . 1 1 81 81 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 5998 1 900 . 1 1 81 81 ALA CA C 13 49.0 0.2 . 1 . . . . . . . . 5998 1 901 . 1 1 81 81 ALA HA H 1 5.88 0.02 . 1 . . . . . . . . 5998 1 902 . 1 1 81 81 ALA CB C 13 22.6 0.2 . 1 . . . . . . . . 5998 1 903 . 1 1 81 81 ALA HB1 H 1 1.30 0.02 . 1 . . . . . . . . 5998 1 904 . 1 1 81 81 ALA HB2 H 1 1.30 0.02 . 1 . . . . . . . . 5998 1 905 . 1 1 81 81 ALA HB3 H 1 1.30 0.02 . 1 . . . . . . . . 5998 1 906 . 1 1 81 81 ALA C C 13 174.8 0.2 . 1 . . . . . . . . 5998 1 907 . 1 1 82 82 PHE N N 15 123.0 0.1 . 1 . . . . . . . . 5998 1 908 . 1 1 82 82 PHE H H 1 9.28 0.02 . 1 . . . . . . . . 5998 1 909 . 1 1 82 82 PHE CA C 13 55.9 0.2 . 1 . . . . . . . . 5998 1 910 . 1 1 82 82 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 5998 1 911 . 1 1 82 82 PHE CB C 13 43.0 0.2 . 1 . . . . . . . . 5998 1 912 . 1 1 82 82 PHE HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5998 1 913 . 1 1 82 82 PHE HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5998 1 914 . 1 1 82 82 PHE CD1 C 13 131.0 0.2 . 1 . . . . . . . . 5998 1 915 . 1 1 82 82 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5998 1 916 . 1 1 82 82 PHE CD2 C 13 131.0 0.2 . 1 . . . . . . . . 5998 1 917 . 1 1 82 82 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5998 1 918 . 1 1 82 82 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 5998 1 919 . 1 1 83 83 HIS N N 15 126.6 0.1 . 1 . . . . . . . . 5998 1 920 . 1 1 83 83 HIS H H 1 7.75 0.02 . 1 . . . . . . . . 5998 1 921 . 1 1 83 83 HIS CA C 13 53.2 0.2 . 1 . . . . . . . . 5998 1 922 . 1 1 83 83 HIS HA H 1 5.87 0.02 . 1 . . . . . . . . 5998 1 923 . 1 1 83 83 HIS CB C 13 32.0 0.2 . 1 . . . . . . . . 5998 1 924 . 1 1 83 83 HIS HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5998 1 925 . 1 1 83 83 HIS HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5998 1 926 . 1 1 83 83 HIS CD2 C 13 121.3 0.2 . 1 . . . . . . . . 5998 1 927 . 1 1 83 83 HIS HD2 H 1 6.86 0.02 . 3 . . . . . . . . 5998 1 928 . 1 1 83 83 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 5998 1 929 . 1 1 84 84 TYR N N 15 118.6 0.1 . 1 . . . . . . . . 5998 1 930 . 1 1 84 84 TYR H H 1 8.69 0.02 . 1 . . . . . . . . 5998 1 931 . 1 1 84 84 TYR CA C 13 55.9 0.2 . 1 . . . . . . . . 5998 1 932 . 1 1 84 84 TYR HA H 1 4.81 0.02 . 1 . . . . . . . . 5998 1 933 . 1 1 84 84 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . 5998 1 934 . 1 1 84 84 TYR HB3 H 1 3.14 0.02 . 1 . . . . . . . . 5998 1 935 . 1 1 84 84 TYR HB2 H 1 3.14 0.02 . 1 . . . . . . . . 5998 1 936 . 1 1 84 84 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 5998 1 937 . 1 1 84 84 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 5998 1 938 . 1 1 84 84 TYR C C 13 172.2 0.2 . 1 . . . . . . . . 5998 1 939 . 1 1 85 85 THR N N 15 116.3 0.1 . 1 . . . . . . . . 5998 1 940 . 1 1 85 85 THR H H 1 8.46 0.02 . 1 . . . . . . . . 5998 1 941 . 1 1 85 85 THR CA C 13 59.6 0.2 . 1 . . . . . . . . 5998 1 942 . 1 1 85 85 THR HA H 1 5.23 0.02 . 1 . . . . . . . . 5998 1 943 . 1 1 85 85 THR CB C 13 71.0 0.2 . 1 . . . . . . . . 5998 1 944 . 1 1 85 85 THR HB H 1 3.89 0.02 . 1 . . . . . . . . 5998 1 945 . 1 1 85 85 THR CG2 C 13 20.0 0.2 . 1 . . . . . . . . 5998 1 946 . 1 1 85 85 THR HG21 H 1 1.11 0.02 . 1 . . . . . . . . 5998 1 947 . 1 1 85 85 THR HG22 H 1 1.11 0.02 . 1 . . . . . . . . 5998 1 948 . 1 1 85 85 THR HG23 H 1 1.11 0.02 . 1 . . . . . . . . 5998 1 949 . 1 1 85 85 THR C C 13 172.7 0.2 . 1 . . . . . . . . 5998 1 950 . 1 1 86 86 SER N N 15 119.8 0.1 . 1 . . . . . . . . 5998 1 951 . 1 1 86 86 SER H H 1 7.99 0.02 . 1 . . . . . . . . 5998 1 952 . 1 1 86 86 SER CA C 13 54.8 0.2 . 1 . . . . . . . . 5998 1 953 . 1 1 86 86 SER HA H 1 4.57 0.02 . 1 . . . . . . . . 5998 1 954 . 1 1 86 86 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5998 1 955 . 1 1 86 86 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 5998 1 956 . 1 1 86 86 SER HB2 H 1 3.64 0.02 . 2 . . . . . . . . 5998 1 957 . 1 1 86 86 SER C C 13 177.8 0.2 . 1 . . . . . . . . 5998 1 958 . 1 1 87 87 GLY N N 15 110.3 0.1 . 1 . . . . . . . . 5998 1 959 . 1 1 87 87 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 5998 1 960 . 1 1 87 87 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 5998 1 961 . 1 1 87 87 GLY HA3 H 1 4.23 0.02 . 2 . . . . . . . . 5998 1 962 . 1 1 87 87 GLY HA2 H 1 3.57 0.02 . 2 . . . . . . . . 5998 1 963 . 1 1 87 87 GLY C C 13 177.4 0.2 . 1 . . . . . . . . 5998 1 964 . 1 1 88 88 VAL CA C 13 59.5 0.2 . 1 . . . . . . . . 5998 1 965 . 1 1 88 88 VAL HA H 1 4.65 0.02 . 1 . . . . . . . . 5998 1 966 . 1 1 88 88 VAL CB C 13 35.4 0.2 . 1 . . . . . . . . 5998 1 967 . 1 1 88 88 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5998 1 968 . 1 1 88 88 VAL CG2 C 13 20.0 0.2 . 1 . . . . . . . . 5998 1 969 . 1 1 88 88 VAL HG21 H 1 0.98 0.02 . 1 . . . . . . . . 5998 1 970 . 1 1 88 88 VAL HG22 H 1 0.98 0.02 . 1 . . . . . . . . 5998 1 971 . 1 1 88 88 VAL HG23 H 1 0.98 0.02 . 1 . . . . . . . . 5998 1 972 . 1 1 88 88 VAL CG1 C 13 20.0 0.2 . 1 . . . . . . . . 5998 1 973 . 1 1 88 88 VAL HG11 H 1 0.98 0.02 . 1 . . . . . . . . 5998 1 974 . 1 1 88 88 VAL HG12 H 1 0.98 0.02 . 1 . . . . . . . . 5998 1 975 . 1 1 88 88 VAL HG13 H 1 0.98 0.02 . 1 . . . . . . . . 5998 1 976 . 1 1 88 88 VAL C C 13 172.2 0.2 . 1 . . . . . . . . 5998 1 977 . 1 1 89 89 LEU N N 15 127.6 0.1 . 1 . . . . . . . . 5998 1 978 . 1 1 89 89 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 5998 1 979 . 1 1 89 89 LEU CA C 13 52.7 0.2 . 1 . . . . . . . . 5998 1 980 . 1 1 89 89 LEU HA H 1 5.42 0.02 . 1 . . . . . . . . 5998 1 981 . 1 1 89 89 LEU CB C 13 43.6 0.2 . 1 . . . . . . . . 5998 1 982 . 1 1 89 89 LEU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5998 1 983 . 1 1 89 89 LEU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 5998 1 984 . 1 1 89 89 LEU CG C 13 26.5 0.2 . 1 . . . . . . . . 5998 1 985 . 1 1 89 89 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5998 1 986 . 1 1 89 89 LEU CD1 C 13 23.7 0.2 . 1 . . . . . . . . 5998 1 987 . 1 1 89 89 LEU HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5998 1 988 . 1 1 89 89 LEU HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5998 1 989 . 1 1 89 89 LEU HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5998 1 990 . 1 1 89 89 LEU CD2 C 13 24.0 0.2 . 1 . . . . . . . . 5998 1 991 . 1 1 89 89 LEU HD21 H 1 0.90 0.02 . 1 . . . . . . . . 5998 1 992 . 1 1 89 89 LEU HD22 H 1 0.90 0.02 . 1 . . . . . . . . 5998 1 993 . 1 1 89 89 LEU HD23 H 1 0.90 0.02 . 1 . . . . . . . . 5998 1 994 . 1 1 89 89 LEU C C 13 179.2 0.2 . 1 . . . . . . . . 5998 1 995 . 1 1 90 90 LEU N N 15 125.1 0.1 . 1 . . . . . . . . 5998 1 996 . 1 1 90 90 LEU H H 1 9.64 0.02 . 1 . . . . . . . . 5998 1 997 . 1 1 90 90 LEU CA C 13 52.1 0.2 . 1 . . . . . . . . 5998 1 998 . 1 1 90 90 LEU HA H 1 5.05 0.02 . 1 . . . . . . . . 5998 1 999 . 1 1 90 90 LEU CB C 13 46.2 0.2 . 1 . . . . . . . . 5998 1 1000 . 1 1 90 90 LEU HB3 H 1 2.39 0.02 . 2 . . . . . . . . 5998 1 1001 . 1 1 90 90 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5998 1 1002 . 1 1 90 90 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 5998 1 1003 . 1 1 90 90 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5998 1 1004 . 1 1 90 90 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 5998 1 1005 . 1 1 90 90 LEU HD11 H 1 0.59 0.02 . 2 . . . . . . . . 5998 1 1006 . 1 1 90 90 LEU HD12 H 1 0.59 0.02 . 2 . . . . . . . . 5998 1 1007 . 1 1 90 90 LEU HD13 H 1 0.59 0.02 . 2 . . . . . . . . 5998 1 1008 . 1 1 90 90 LEU CD2 C 13 22.8 0.2 . 1 . . . . . . . . 5998 1 1009 . 1 1 90 90 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 5998 1 1010 . 1 1 90 90 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 5998 1 1011 . 1 1 90 90 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 5998 1 1012 . 1 1 90 90 LEU C C 13 177.3 0.2 . 1 . . . . . . . . 5998 1 1013 . 1 1 91 91 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 5998 1 1014 . 1 1 91 91 GLU H H 1 9.54 0.02 . 1 . . . . . . . . 5998 1 1015 . 1 1 91 91 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 5998 1 1016 . 1 1 91 91 GLU HA H 1 5.22 0.02 . 1 . . . . . . . . 5998 1 1017 . 1 1 91 91 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5998 1 1018 . 1 1 91 91 GLU HB3 H 1 2.41 0.02 . 2 . . . . . . . . 5998 1 1019 . 1 1 91 91 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5998 1 1020 . 1 1 91 91 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 5998 1 1021 . 1 1 91 91 GLU HG3 H 1 2.52 0.02 . 1 . . . . . . . . 5998 1 1022 . 1 1 91 91 GLU HG2 H 1 2.52 0.02 . 1 . . . . . . . . 5998 1 1023 . 1 1 91 91 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5998 1 1024 . 1 1 92 92 THR N N 15 107.5 0.1 . 1 . . . . . . . . 5998 1 1025 . 1 1 92 92 THR H H 1 7.33 0.02 . 1 . . . . . . . . 5998 1 1026 . 1 1 92 92 THR CA C 13 58.1 0.2 . 1 . . . . . . . . 5998 1 1027 . 1 1 92 92 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 5998 1 1028 . 1 1 92 92 THR CB C 13 71.1 0.2 . 1 . . . . . . . . 5998 1 1029 . 1 1 92 92 THR HB H 1 4.63 0.02 . 1 . . . . . . . . 5998 1 1030 . 1 1 92 92 THR CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5998 1 1031 . 1 1 92 92 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 5998 1 1032 . 1 1 92 92 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 5998 1 1033 . 1 1 92 92 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 5998 1 1034 . 1 1 92 92 THR C C 13 171.8 0.2 . 1 . . . . . . . . 5998 1 1035 . 1 1 93 93 GLU N N 15 115.4 0.1 . 1 . . . . . . . . 5998 1 1036 . 1 1 93 93 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 5998 1 1037 . 1 1 93 93 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 5998 1 1038 . 1 1 93 93 GLU HA H 1 4.49 0.02 . 1 . . . . . . . . 5998 1 1039 . 1 1 93 93 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5998 1 1040 . 1 1 93 93 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5998 1 1041 . 1 1 93 93 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5998 1 1042 . 1 1 93 93 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5998 1 1043 . 1 1 93 93 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 5998 1 1044 . 1 1 93 93 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5998 1 1045 . 1 1 93 93 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 5998 1 1046 . 1 1 94 94 GLN N N 15 112.7 0.1 . 1 . . . . . . . . 5998 1 1047 . 1 1 94 94 GLN H H 1 7.03 0.02 . 1 . . . . . . . . 5998 1 1048 . 1 1 94 94 GLN CA C 13 51.9 0.2 . 1 . . . . . . . . 5998 1 1049 . 1 1 94 94 GLN HA H 1 5.29 0.02 . 1 . . . . . . . . 5998 1 1050 . 1 1 94 94 GLN CB C 13 31.8 0.2 . 1 . . . . . . . . 5998 1 1051 . 1 1 94 94 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5998 1 1052 . 1 1 94 94 GLN HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5998 1 1053 . 1 1 94 94 GLN CG C 13 32.7 0.2 . 1 . . . . . . . . 5998 1 1054 . 1 1 94 94 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 5998 1 1055 . 1 1 94 94 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 5998 1 1056 . 1 1 94 94 GLN C C 13 175.2 0.2 . 1 . . . . . . . . 5998 1 1057 . 1 1 95 95 GLY N N 15 107.5 0.1 . 1 . . . . . . . . 5998 1 1058 . 1 1 95 95 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 5998 1 1059 . 1 1 95 95 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 5998 1 1060 . 1 1 95 95 GLY HA3 H 1 4.11 0.02 . 2 . . . . . . . . 5998 1 1061 . 1 1 95 95 GLY HA2 H 1 3.71 0.02 . 2 . . . . . . . . 5998 1 1062 . 1 1 95 95 GLY C C 13 172.2 0.2 . 1 . . . . . . . . 5998 1 1063 . 1 1 96 96 GLN N N 15 120.7 0.1 . 1 . . . . . . . . 5998 1 1064 . 1 1 96 96 GLN H H 1 9.18 0.02 . 1 . . . . . . . . 5998 1 1065 . 1 1 96 96 GLN CA C 13 54.0 0.2 . 1 . . . . . . . . 5998 1 1066 . 1 1 96 96 GLN HA H 1 5.05 0.02 . 1 . . . . . . . . 5998 1 1067 . 1 1 96 96 GLN CB C 13 32.5 0.2 . 1 . . . . . . . . 5998 1 1068 . 1 1 96 96 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5998 1 1069 . 1 1 96 96 GLN HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5998 1 1070 . 1 1 96 96 GLN CG C 13 35.1 0.2 . 1 . . . . . . . . 5998 1 1071 . 1 1 96 96 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 5998 1 1072 . 1 1 96 96 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 5998 1 1073 . 1 1 96 96 GLN C C 13 173.4 0.2 . 1 . . . . . . . . 5998 1 1074 . 1 1 97 97 MET N N 15 122.7 0.1 . 1 . . . . . . . . 5998 1 1075 . 1 1 97 97 MET H H 1 8.02 0.02 . 1 . . . . . . . . 5998 1 1076 . 1 1 97 97 MET CA C 13 53.6 0.2 . 1 . . . . . . . . 5998 1 1077 . 1 1 97 97 MET HA H 1 5.11 0.02 . 1 . . . . . . . . 5998 1 1078 . 1 1 97 97 MET CB C 13 36.2 0.2 . 1 . . . . . . . . 5998 1 1079 . 1 1 97 97 MET HB3 H 1 0.65 0.02 . 2 . . . . . . . . 5998 1 1080 . 1 1 97 97 MET HB2 H 1 1.12 0.02 . 2 . . . . . . . . 5998 1 1081 . 1 1 97 97 MET CG C 13 31.8 0.2 . 1 . . . . . . . . 5998 1 1082 . 1 1 97 97 MET HG3 H 1 1.97 0.02 . 2 . . . . . . . . 5998 1 1083 . 1 1 97 97 MET HG2 H 1 1.79 0.02 . 2 . . . . . . . . 5998 1 1084 . 1 1 97 97 MET C C 13 172.8 0.2 . 1 . . . . . . . . 5998 1 1085 . 1 1 98 98 GLN N N 15 116.2 0.1 . 1 . . . . . . . . 5998 1 1086 . 1 1 98 98 GLN H H 1 8.34 0.02 . 1 . . . . . . . . 5998 1 1087 . 1 1 98 98 GLN CA C 13 53.5 0.2 . 1 . . . . . . . . 5998 1 1088 . 1 1 98 98 GLN HA H 1 4.69 0.02 . 1 . . . . . . . . 5998 1 1089 . 1 1 98 98 GLN CB C 13 31.6 0.2 . 1 . . . . . . . . 5998 1 1090 . 1 1 98 98 GLN HB3 H 1 2.16 0.02 . 2 . . . . . . . . 5998 1 1091 . 1 1 98 98 GLN HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5998 1 1092 . 1 1 98 98 GLN CG C 13 35.1 0.2 . 1 . . . . . . . . 5998 1 1093 . 1 1 98 98 GLN HG3 H 1 2.24 0.02 . 1 . . . . . . . . 5998 1 1094 . 1 1 98 98 GLN HG2 H 1 2.24 0.02 . 1 . . . . . . . . 5998 1 1095 . 1 1 98 98 GLN C C 13 173.2 0.2 . 1 . . . . . . . . 5998 1 1096 . 1 1 99 99 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 5998 1 1097 . 1 1 99 99 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 5998 1 1098 . 1 1 99 99 GLY CA C 13 46.2 0.2 . 1 . . . . . . . . 5998 1 1099 . 1 1 99 99 GLY HA3 H 1 4.39 0.02 . 2 . . . . . . . . 5998 1 1100 . 1 1 99 99 GLY HA2 H 1 4.59 0.02 . 2 . . . . . . . . 5998 1 1101 . 1 1 99 99 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 5998 1 1102 . 1 1 100 100 HIS N N 15 116.2 0.1 . 1 . . . . . . . . 5998 1 1103 . 1 1 100 100 HIS H H 1 8.54 0.02 . 1 . . . . . . . . 5998 1 1104 . 1 1 100 100 HIS CA C 13 55.6 0.2 . 1 . . . . . . . . 5998 1 1105 . 1 1 100 100 HIS HA H 1 4.93 0.02 . 1 . . . . . . . . 5998 1 1106 . 1 1 100 100 HIS CB C 13 31.7 0.2 . 1 . . . . . . . . 5998 1 1107 . 1 1 100 100 HIS HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5998 1 1108 . 1 1 100 100 HIS HB2 H 1 3.39 0.02 . 2 . . . . . . . . 5998 1 1109 . 1 1 100 100 HIS CD2 C 13 119.0 0.2 . 1 . . . . . . . . 5998 1 1110 . 1 1 100 100 HIS HD2 H 1 6.68 0.02 . 3 . . . . . . . . 5998 1 1111 . 1 1 100 100 HIS C C 13 172.6 0.2 . 1 . . . . . . . . 5998 1 1112 . 1 1 101 101 TYR N N 15 117.2 0.1 . 1 . . . . . . . . 5998 1 1113 . 1 1 101 101 TYR H H 1 8.55 0.02 . 1 . . . . . . . . 5998 1 1114 . 1 1 101 101 TYR CA C 13 54.1 0.2 . 1 . . . . . . . . 5998 1 1115 . 1 1 101 101 TYR HA H 1 5.43 0.02 . 1 . . . . . . . . 5998 1 1116 . 1 1 101 101 TYR CB C 13 39.8 0.2 . 1 . . . . . . . . 5998 1 1117 . 1 1 101 101 TYR HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5998 1 1118 . 1 1 101 101 TYR HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5998 1 1119 . 1 1 101 101 TYR CD1 C 13 131.4 0.2 . 1 . . . . . . . . 5998 1 1120 . 1 1 101 101 TYR HD1 H 1 6.82 0.02 . 1 . . . . . . . . 5998 1 1121 . 1 1 101 101 TYR CE1 C 13 117.7 0.2 . 1 . . . . . . . . 5998 1 1122 . 1 1 101 101 TYR HE1 H 1 6.48 0.02 . 1 . . . . . . . . 5998 1 1123 . 1 1 101 101 TYR CE2 C 13 117.7 0.2 . 1 . . . . . . . . 5998 1 1124 . 1 1 101 101 TYR HE2 H 1 6.48 0.02 . 1 . . . . . . . . 5998 1 1125 . 1 1 101 101 TYR CD2 C 13 131.4 0.2 . 1 . . . . . . . . 5998 1 1126 . 1 1 101 101 TYR HD2 H 1 6.82 0.02 . 1 . . . . . . . . 5998 1 1127 . 1 1 101 101 TYR C C 13 177.0 0.2 . 1 . . . . . . . . 5998 1 1128 . 1 1 102 102 ASP N N 15 123.9 0.1 . 1 . . . . . . . . 5998 1 1129 . 1 1 102 102 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 5998 1 1130 . 1 1 102 102 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 5998 1 1131 . 1 1 102 102 ASP HA H 1 4.96 0.02 . 1 . . . . . . . . 5998 1 1132 . 1 1 102 102 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 5998 1 1133 . 1 1 102 102 ASP HB3 H 1 3.06 0.02 . 2 . . . . . . . . 5998 1 1134 . 1 1 102 102 ASP HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5998 1 1135 . 1 1 102 102 ASP C C 13 174.1 0.2 . 1 . . . . . . . . 5998 1 1136 . 1 1 103 103 MET N N 15 120.6 0.1 . 1 . . . . . . . . 5998 1 1137 . 1 1 103 103 MET H H 1 8.59 0.02 . 1 . . . . . . . . 5998 1 1138 . 1 1 103 103 MET CA C 13 49.9 0.2 . 1 . . . . . . . . 5998 1 1139 . 1 1 103 103 MET HA H 1 5.52 0.02 . 1 . . . . . . . . 5998 1 1140 . 1 1 103 103 MET CB C 13 30.2 0.2 . 1 . . . . . . . . 5998 1 1141 . 1 1 103 103 MET HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5998 1 1142 . 1 1 103 103 MET HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5998 1 1143 . 1 1 103 103 MET CG C 13 33.4 0.2 . 1 . . . . . . . . 5998 1 1144 . 1 1 103 103 MET HG3 H 1 2.28 0.02 . 1 . . . . . . . . 5998 1 1145 . 1 1 103 103 MET HG2 H 1 2.28 0.02 . 1 . . . . . . . . 5998 1 1146 . 1 1 103 103 MET C C 13 177.6 0.2 . 1 . . . . . . . . 5998 1 1147 . 1 1 104 104 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 5998 1 1148 . 1 1 104 104 VAL H H 1 9.03 0.02 . 1 . . . . . . . . 5998 1 1149 . 1 1 104 104 VAL CA C 13 60.0 0.2 . 1 . . . . . . . . 5998 1 1150 . 1 1 104 104 VAL HA H 1 4.96 0.02 . 1 . . . . . . . . 5998 1 1151 . 1 1 104 104 VAL CB C 13 33.7 0.2 . 1 . . . . . . . . 5998 1 1152 . 1 1 104 104 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 5998 1 1153 . 1 1 104 104 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . 5998 1 1154 . 1 1 104 104 VAL HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5998 1 1155 . 1 1 104 104 VAL HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5998 1 1156 . 1 1 104 104 VAL HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5998 1 1157 . 1 1 104 104 VAL CG1 C 13 19.7 0.2 . 1 . . . . . . . . 5998 1 1158 . 1 1 104 104 VAL HG11 H 1 0.97 0.02 . 1 . . . . . . . . 5998 1 1159 . 1 1 104 104 VAL HG12 H 1 0.97 0.02 . 1 . . . . . . . . 5998 1 1160 . 1 1 104 104 VAL HG13 H 1 0.97 0.02 . 1 . . . . . . . . 5998 1 1161 . 1 1 104 104 VAL C C 13 177.0 0.2 . 1 . . . . . . . . 5998 1 1162 . 1 1 105 105 ALA N N 15 132.5 0.1 . 1 . . . . . . . . 5998 1 1163 . 1 1 105 105 ALA H H 1 9.77 0.02 . 1 . . . . . . . . 5998 1 1164 . 1 1 105 105 ALA CA C 13 50.4 0.2 . 1 . . . . . . . . 5998 1 1165 . 1 1 105 105 ALA HA H 1 5.42 0.02 . 1 . . . . . . . . 5998 1 1166 . 1 1 105 105 ALA CB C 13 20.9 0.2 . 1 . . . . . . . . 5998 1 1167 . 1 1 105 105 ALA HB1 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 1168 . 1 1 105 105 ALA HB2 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 1169 . 1 1 105 105 ALA HB3 H 1 2.08 0.02 . 1 . . . . . . . . 5998 1 1170 . 1 1 105 105 ALA C C 13 180.5 0.2 . 1 . . . . . . . . 5998 1 1171 . 1 1 106 106 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 5998 1 1172 . 1 1 106 106 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 5998 1 1173 . 1 1 106 106 ASP CA C 13 56.0 0.2 . 1 . . . . . . . . 5998 1 1174 . 1 1 106 106 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5998 1 1175 . 1 1 106 106 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . 5998 1 1176 . 1 1 106 106 ASP HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5998 1 1177 . 1 1 106 106 ASP HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5998 1 1178 . 1 1 106 106 ASP C C 13 176.6 0.2 . 1 . . . . . . . . 5998 1 1179 . 1 1 107 107 ASP N N 15 115.3 0.1 . 1 . . . . . . . . 5998 1 1180 . 1 1 107 107 ASP H H 1 7.13 0.02 . 1 . . . . . . . . 5998 1 1181 . 1 1 107 107 ASP CA C 13 52.1 0.2 . 1 . . . . . . . . 5998 1 1182 . 1 1 107 107 ASP HA H 1 4.69 0.02 . 1 . . . . . . . . 5998 1 1183 . 1 1 107 107 ASP CB C 13 39.1 0.2 . 1 . . . . . . . . 5998 1 1184 . 1 1 107 107 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5998 1 1185 . 1 1 107 107 ASP HB2 H 1 3.32 0.02 . 2 . . . . . . . . 5998 1 1186 . 1 1 107 107 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5998 1 1187 . 1 1 108 108 GLY N N 15 109.3 0.1 . 1 . . . . . . . . 5998 1 1188 . 1 1 108 108 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 5998 1 1189 . 1 1 108 108 GLY CA C 13 43.8 0.2 . 1 . . . . . . . . 5998 1 1190 . 1 1 108 108 GLY HA3 H 1 4.46 0.02 . 2 . . . . . . . . 5998 1 1191 . 1 1 108 108 GLY HA2 H 1 3.64 0.02 . 2 . . . . . . . . 5998 1 1192 . 1 1 108 108 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 5998 1 1193 . 1 1 109 109 THR N N 15 119.5 0.1 . 1 . . . . . . . . 5998 1 1194 . 1 1 109 109 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5998 1 1195 . 1 1 109 109 THR CA C 13 64.2 0.2 . 1 . . . . . . . . 5998 1 1196 . 1 1 109 109 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 5998 1 1197 . 1 1 109 109 THR CB C 13 68.1 0.2 . 1 . . . . . . . . 5998 1 1198 . 1 1 109 109 THR HB H 1 3.68 0.02 . 1 . . . . . . . . 5998 1 1199 . 1 1 109 109 THR CG2 C 13 18.9 0.2 . 1 . . . . . . . . 5998 1 1200 . 1 1 109 109 THR HG21 H 1 0.43 0.02 . 1 . . . . . . . . 5998 1 1201 . 1 1 109 109 THR HG22 H 1 0.43 0.02 . 1 . . . . . . . . 5998 1 1202 . 1 1 109 109 THR HG23 H 1 0.43 0.02 . 1 . . . . . . . . 5998 1 1203 . 1 1 109 109 THR C C 13 173.9 0.2 . 1 . . . . . . . . 5998 1 1204 . 1 1 110 110 GLU N N 15 130.4 0.1 . 1 . . . . . . . . 5998 1 1205 . 1 1 110 110 GLU H H 1 8.73 0.02 . 1 . . . . . . . . 5998 1 1206 . 1 1 110 110 GLU CA C 13 54.4 0.2 . 1 . . . . . . . . 5998 1 1207 . 1 1 110 110 GLU HA H 1 5.09 0.02 . 1 . . . . . . . . 5998 1 1208 . 1 1 110 110 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 5998 1 1209 . 1 1 110 110 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5998 1 1210 . 1 1 110 110 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5998 1 1211 . 1 1 110 110 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5998 1 1212 . 1 1 110 110 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5998 1 1213 . 1 1 110 110 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5998 1 1214 . 1 1 110 110 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 5998 1 1215 . 1 1 111 111 PHE N N 15 121.7 0.1 . 1 . . . . . . . . 5998 1 1216 . 1 1 111 111 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 5998 1 1217 . 1 1 111 111 PHE CA C 13 54.8 0.2 . 1 . . . . . . . . 5998 1 1218 . 1 1 111 111 PHE HA H 1 5.05 0.02 . 1 . . . . . . . . 5998 1 1219 . 1 1 111 111 PHE CB C 13 39.1 0.2 . 1 . . . . . . . . 5998 1 1220 . 1 1 111 111 PHE HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5998 1 1221 . 1 1 111 111 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5998 1 1222 . 1 1 111 111 PHE CD1 C 13 133.0 0.2 . 1 . . . . . . . . 5998 1 1223 . 1 1 111 111 PHE HD1 H 1 7.10 0.02 . 1 . . . . . . . . 5998 1 1224 . 1 1 111 111 PHE CD2 C 13 133.0 0.2 . 1 . . . . . . . . 5998 1 1225 . 1 1 111 111 PHE HD2 H 1 7.10 0.02 . 1 . . . . . . . . 5998 1 1226 . 1 1 111 111 PHE C C 13 172.4 0.2 . 1 . . . . . . . . 5998 1 1227 . 1 1 112 112 ILE N N 15 115.1 0.1 . 1 . . . . . . . . 5998 1 1228 . 1 1 112 112 ILE H H 1 8.32 0.02 . 1 . . . . . . . . 5998 1 1229 . 1 1 112 112 ILE CA C 13 58.3 0.2 . 1 . . . . . . . . 5998 1 1230 . 1 1 112 112 ILE HA H 1 5.28 0.02 . 1 . . . . . . . . 5998 1 1231 . 1 1 112 112 ILE CB C 13 40.9 0.2 . 1 . . . . . . . . 5998 1 1232 . 1 1 112 112 ILE HB H 1 1.70 0.02 . 1 . . . . . . . . 5998 1 1233 . 1 1 112 112 ILE CG1 C 13 25.4 0.2 . 2 . . . . . . . . 5998 1 1234 . 1 1 112 112 ILE HG13 H 1 1.39 0.02 . 1 . . . . . . . . 5998 1 1235 . 1 1 112 112 ILE HG12 H 1 1.12 0.02 . 1 . . . . . . . . 5998 1 1236 . 1 1 112 112 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 5998 1 1237 . 1 1 112 112 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 5998 1 1238 . 1 1 112 112 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 5998 1 1239 . 1 1 112 112 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 5998 1 1240 . 1 1 112 112 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 5998 1 1241 . 1 1 112 112 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 1242 . 1 1 112 112 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 1243 . 1 1 112 112 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5998 1 1244 . 1 1 112 112 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 5998 1 1245 . 1 1 113 113 ALA N N 15 127.7 0.1 . 1 . . . . . . . . 5998 1 1246 . 1 1 113 113 ALA H H 1 9.09 0.02 . 1 . . . . . . . . 5998 1 1247 . 1 1 113 113 ALA CA C 13 46.8 0.2 . 1 . . . . . . . . 5998 1 1248 . 1 1 113 113 ALA HA H 1 5.42 0.02 . 1 . . . . . . . . 5998 1 1249 . 1 1 113 113 ALA CB C 13 20.3 0.2 . 1 . . . . . . . . 5998 1 1250 . 1 1 113 113 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5998 1 1251 . 1 1 113 113 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5998 1 1252 . 1 1 113 113 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5998 1 1253 . 1 1 113 113 ALA C C 13 174.5 0.2 . 1 . . . . . . . . 5998 1 1254 . 1 1 114 114 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 5998 1 1255 . 1 1 114 114 PRO HA H 1 4.51 0.02 . 1 . . . . . . . . 5998 1 1256 . 1 1 114 114 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 5998 1 1257 . 1 1 114 114 PRO HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5998 1 1258 . 1 1 114 114 PRO HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5998 1 1259 . 1 1 114 114 PRO CG C 13 26.4 0.2 . 1 . . . . . . . . 5998 1 1260 . 1 1 114 114 PRO HG3 H 1 2.07 0.02 . 2 . . . . . . . . 5998 1 1261 . 1 1 114 114 PRO HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5998 1 1262 . 1 1 114 114 PRO CD C 13 50.7 0.2 . 1 . . . . . . . . 5998 1 1263 . 1 1 114 114 PRO HD3 H 1 4.16 0.02 . 2 . . . . . . . . 5998 1 1264 . 1 1 114 114 PRO HD2 H 1 4.00 0.02 . 2 . . . . . . . . 5998 1 1265 . 1 1 114 114 PRO C C 13 175.9 0.2 . 1 . . . . . . . . 5998 1 1266 . 1 1 115 115 ILE N N 15 124.1 0.1 . 1 . . . . . . . . 5998 1 1267 . 1 1 115 115 ILE H H 1 8.55 0.02 . 1 . . . . . . . . 5998 1 1268 . 1 1 115 115 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 5998 1 1269 . 1 1 115 115 ILE HA H 1 4.16 0.02 . 1 . . . . . . . . 5998 1 1270 . 1 1 115 115 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 5998 1 1271 . 1 1 115 115 ILE HB H 1 1.31 0.02 . 1 . . . . . . . . 5998 1 1272 . 1 1 115 115 ILE CG1 C 13 26.3 0.2 . 2 . . . . . . . . 5998 1 1273 . 1 1 115 115 ILE HG13 H 1 1.12 0.02 . 1 . . . . . . . . 5998 1 1274 . 1 1 115 115 ILE HG12 H 1 0.54 0.02 . 1 . . . . . . . . 5998 1 1275 . 1 1 115 115 ILE CD1 C 13 12.3 0.2 . 1 . . . . . . . . 5998 1 1276 . 1 1 115 115 ILE HD11 H 1 -0.65 0.02 . 1 . . . . . . . . 5998 1 1277 . 1 1 115 115 ILE HD12 H 1 -0.65 0.02 . 1 . . . . . . . . 5998 1 1278 . 1 1 115 115 ILE HD13 H 1 -0.65 0.02 . 1 . . . . . . . . 5998 1 1279 . 1 1 115 115 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 5998 1 1280 . 1 1 115 115 ILE HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5998 1 1281 . 1 1 115 115 ILE HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5998 1 1282 . 1 1 115 115 ILE HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5998 1 1283 . 1 1 115 115 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 5998 1 1284 . 1 1 116 116 ALA N N 15 130.9 0.1 . 1 . . . . . . . . 5998 1 1285 . 1 1 116 116 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5998 1 1286 . 1 1 116 116 ALA CA C 13 51.6 0.2 . 1 . . . . . . . . 5998 1 1287 . 1 1 116 116 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5998 1 1288 . 1 1 116 116 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5998 1 1289 . 1 1 116 116 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5998 1 1290 . 1 1 116 116 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5998 1 1291 . 1 1 116 116 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5998 1 1292 . 1 1 116 116 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 5998 1 1293 . 1 1 117 117 ALA N N 15 121.1 0.1 . 1 . . . . . . . . 5998 1 1294 . 1 1 117 117 ALA H H 1 8.18 0.02 . 1 . . . . . . . . 5998 1 1295 . 1 1 117 117 ALA CA C 13 51.2 0.2 . 1 . . . . . . . . 5998 1 1296 . 1 1 117 117 ALA HA H 1 4.94 0.02 . 1 . . . . . . . . 5998 1 1297 . 1 1 117 117 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5998 1 1298 . 1 1 117 117 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 5998 1 1299 . 1 1 117 117 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 5998 1 1300 . 1 1 117 117 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 5998 1 1301 . 1 1 117 117 ALA C C 13 178.6 0.2 . 1 . . . . . . . . 5998 1 1302 . 1 1 118 118 PHE N N 15 119.4 0.1 . 1 . . . . . . . . 5998 1 1303 . 1 1 118 118 PHE H H 1 8.86 0.02 . 1 . . . . . . . . 5998 1 1304 . 1 1 118 118 PHE CA C 13 53.6 0.2 . 1 . . . . . . . . 5998 1 1305 . 1 1 118 118 PHE HA H 1 5.16 0.02 . 1 . . . . . . . . 5998 1 1306 . 1 1 118 118 PHE CB C 13 40.5 0.2 . 1 . . . . . . . . 5998 1 1307 . 1 1 118 118 PHE HB3 H 1 3.15 0.02 . 2 . . . . . . . . 5998 1 1308 . 1 1 118 118 PHE HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5998 1 1309 . 1 1 118 118 PHE CD1 C 13 133.3 0.2 . 1 . . . . . . . . 5998 1 1310 . 1 1 118 118 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5998 1 1311 . 1 1 118 118 PHE CZ C 13 129.9 0.2 . 1 . . . . . . . . 5998 1 1312 . 1 1 118 118 PHE HZ H 1 6.83 0.02 . 1 . . . . . . . . 5998 1 1313 . 1 1 118 118 PHE CD2 C 13 133.3 0.2 . 1 . . . . . . . . 5998 1 1314 . 1 1 118 118 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5998 1 1315 . 1 1 118 118 PHE C C 13 173.4 0.2 . 1 . . . . . . . . 5998 1 1316 . 1 1 119 119 VAL N N 15 120.6 0.1 . 1 . . . . . . . . 5998 1 1317 . 1 1 119 119 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 5998 1 1318 . 1 1 119 119 VAL CA C 13 61.0 0.2 . 1 . . . . . . . . 5998 1 1319 . 1 1 119 119 VAL HA H 1 4.28 0.02 . 1 . . . . . . . . 5998 1 1320 . 1 1 119 119 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 5998 1 1321 . 1 1 119 119 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5998 1 1322 . 1 1 119 119 VAL CG2 C 13 20.8 0.2 . 1 . . . . . . . . 5998 1 1323 . 1 1 119 119 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 5998 1 1324 . 1 1 119 119 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 5998 1 1325 . 1 1 119 119 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 5998 1 1326 . 1 1 119 119 VAL CG1 C 13 20.3 0.2 . 1 . . . . . . . . 5998 1 1327 . 1 1 119 119 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5998 1 1328 . 1 1 119 119 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5998 1 1329 . 1 1 119 119 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5998 1 1330 . 1 1 119 119 VAL C C 13 176.1 0.2 . 1 . . . . . . . . 5998 1 1331 . 1 1 120 120 LEU N N 15 128.7 0.1 . 1 . . . . . . . . 5998 1 1332 . 1 1 120 120 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 5998 1 1333 . 1 1 120 120 LEU CA C 13 51.7 0.2 . 1 . . . . . . . . 5998 1 1334 . 1 1 120 120 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5998 1 1335 . 1 1 120 120 LEU CB C 13 39.8 0.2 . 1 . . . . . . . . 5998 1 1336 . 1 1 120 120 LEU HB3 H 1 0.62 0.02 . 2 . . . . . . . . 5998 1 1337 . 1 1 120 120 LEU HB2 H 1 -0.42 0.02 . 2 . . . . . . . . 5998 1 1338 . 1 1 120 120 LEU CG C 13 25.6 0.2 . 1 . . . . . . . . 5998 1 1339 . 1 1 120 120 LEU HG H 1 1.09 0.02 . 1 . . . . . . . . 5998 1 1340 . 1 1 120 120 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 5998 1 1341 . 1 1 120 120 LEU HD11 H 1 0.36 0.02 . 2 . . . . . . . . 5998 1 1342 . 1 1 120 120 LEU HD12 H 1 0.36 0.02 . 2 . . . . . . . . 5998 1 1343 . 1 1 120 120 LEU HD13 H 1 0.36 0.02 . 2 . . . . . . . . 5998 1 1344 . 1 1 120 120 LEU CD2 C 13 23.0 0.2 . 1 . . . . . . . . 5998 1 1345 . 1 1 120 120 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 5998 1 1346 . 1 1 120 120 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 5998 1 1347 . 1 1 120 120 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 5998 1 1348 . 1 1 120 120 LEU C C 13 174.7 0.2 . 1 . . . . . . . . 5998 1 1349 . 1 1 121 121 SER N N 15 115.3 0.1 . 1 . . . . . . . . 5998 1 1350 . 1 1 121 121 SER H H 1 8.30 0.02 . 1 . . . . . . . . 5998 1 1351 . 1 1 121 121 SER CA C 13 56.1 0.2 . 1 . . . . . . . . 5998 1 1352 . 1 1 121 121 SER HA H 1 5.28 0.02 . 1 . . . . . . . . 5998 1 1353 . 1 1 121 121 SER CB C 13 64.4 0.2 . 1 . . . . . . . . 5998 1 1354 . 1 1 121 121 SER HB3 H 1 3.74 0.02 . 2 . . . . . . . . 5998 1 1355 . 1 1 121 121 SER HB2 H 1 3.66 0.02 . 2 . . . . . . . . 5998 1 1356 . 1 1 121 121 SER C C 13 174.5 0.2 . 1 . . . . . . . . 5998 1 1357 . 1 1 122 122 VAL N N 15 125.6 0.1 . 1 . . . . . . . . 5998 1 1358 . 1 1 122 122 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 5998 1 1359 . 1 1 122 122 VAL CA C 13 59.6 0.2 . 1 . . . . . . . . 5998 1 1360 . 1 1 122 122 VAL HA H 1 3.78 0.02 . 1 . . . . . . . . 5998 1 1361 . 1 1 122 122 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 5998 1 1362 . 1 1 122 122 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . 5998 1 1363 . 1 1 122 122 VAL CG2 C 13 19.5 0.2 . 1 . . . . . . . . 5998 1 1364 . 1 1 122 122 VAL HG21 H 1 0.53 0.02 . 2 . . . . . . . . 5998 1 1365 . 1 1 122 122 VAL HG22 H 1 0.53 0.02 . 2 . . . . . . . . 5998 1 1366 . 1 1 122 122 VAL HG23 H 1 0.53 0.02 . 2 . . . . . . . . 5998 1 1367 . 1 1 122 122 VAL CG1 C 13 19.6 0.2 . 1 . . . . . . . . 5998 1 1368 . 1 1 122 122 VAL HG11 H 1 0.50 0.02 . 2 . . . . . . . . 5998 1 1369 . 1 1 122 122 VAL HG12 H 1 0.50 0.02 . 2 . . . . . . . . 5998 1 1370 . 1 1 122 122 VAL HG13 H 1 0.50 0.02 . 2 . . . . . . . . 5998 1 1371 . 1 1 122 122 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 5998 1 1372 . 1 1 123 123 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 5998 1 1373 . 1 1 123 123 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 5998 1 1374 . 1 1 123 123 PRO CB C 13 31.1 0.2 . 1 . . . . . . . . 5998 1 1375 . 1 1 123 123 PRO HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5998 1 1376 . 1 1 123 123 PRO HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5998 1 1377 . 1 1 123 123 PRO CG C 13 26.6 0.2 . 1 . . . . . . . . 5998 1 1378 . 1 1 123 123 PRO HG3 H 1 2.26 0.02 . 2 . . . . . . . . 5998 1 1379 . 1 1 123 123 PRO HG2 H 1 2.03 0.02 . 2 . . . . . . . . 5998 1 1380 . 1 1 123 123 PRO CD C 13 50.2 0.2 . 1 . . . . . . . . 5998 1 1381 . 1 1 123 123 PRO HD3 H 1 3.91 0.02 . 1 . . . . . . . . 5998 1 1382 . 1 1 123 123 PRO HD2 H 1 3.91 0.02 . 1 . . . . . . . . 5998 1 1383 . 1 1 123 123 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5998 1 1384 . 1 1 124 124 ARG N N 15 122.7 0.1 . 1 . . . . . . . . 5998 1 1385 . 1 1 124 124 ARG H H 1 8.45 0.02 . 1 . . . . . . . . 5998 1 1386 . 1 1 124 124 ARG CA C 13 54.8 0.2 . 1 . . . . . . . . 5998 1 1387 . 1 1 124 124 ARG HA H 1 4.43 0.02 . 1 . . . . . . . . 5998 1 1388 . 1 1 124 124 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 5998 1 1389 . 1 1 124 124 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5998 1 1390 . 1 1 124 124 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5998 1 1391 . 1 1 124 124 ARG CG C 13 26.0 0.2 . 1 . . . . . . . . 5998 1 1392 . 1 1 124 124 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 5998 1 1393 . 1 1 124 124 ARG HG2 H 1 1.69 0.02 . 1 . . . . . . . . 5998 1 1394 . 1 1 124 124 ARG CD C 13 42.3 0.2 . 1 . . . . . . . . 5998 1 1395 . 1 1 124 124 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 5998 1 1396 . 1 1 124 124 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 5998 1 1397 . 1 1 124 124 ARG C C 13 176.8 0.2 . 1 . . . . . . . . 5998 1 1398 . 1 1 125 125 THR N N 15 115.9 0.1 . 1 . . . . . . . . 5998 1 1399 . 1 1 125 125 THR H H 1 8.14 0.02 . 1 . . . . . . . . 5998 1 1400 . 1 1 125 125 THR CA C 13 60.7 0.2 . 1 . . . . . . . . 5998 1 1401 . 1 1 125 125 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 5998 1 1402 . 1 1 125 125 THR CB C 13 68.8 0.2 . 1 . . . . . . . . 5998 1 1403 . 1 1 125 125 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 5998 1 1404 . 1 1 125 125 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . 5998 1 1405 . 1 1 125 125 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5998 1 1406 . 1 1 125 125 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5998 1 1407 . 1 1 125 125 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5998 1 1408 . 1 1 125 125 THR C C 13 174.5 0.2 . 1 . . . . . . . . 5998 1 1409 . 1 1 126 126 LEU N N 15 126.0 0.1 . 1 . . . . . . . . 5998 1 1410 . 1 1 126 126 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 5998 1 1411 . 1 1 126 126 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 5998 1 1412 . 1 1 126 126 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 5998 1 1413 . 1 1 126 126 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 5998 1 1414 . 1 1 126 126 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5998 1 1415 . 1 1 126 126 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5998 1 1416 . 1 1 126 126 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 5998 1 1417 . 1 1 126 126 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5998 1 1418 . 1 1 126 126 LEU CD1 C 13 24.1 0.2 . 1 . . . . . . . . 5998 1 1419 . 1 1 126 126 LEU HD11 H 1 0.97 0.02 . 2 . . . . . . . . 5998 1 1420 . 1 1 126 126 LEU HD12 H 1 0.97 0.02 . 2 . . . . . . . . 5998 1 1421 . 1 1 126 126 LEU HD13 H 1 0.97 0.02 . 2 . . . . . . . . 5998 1 1422 . 1 1 126 126 LEU CD2 C 13 22.6 0.2 . 1 . . . . . . . . 5998 1 1423 . 1 1 126 126 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 5998 1 1424 . 1 1 126 126 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 5998 1 1425 . 1 1 126 126 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 5998 1 1426 . 1 1 126 126 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 5998 1 1427 . 1 1 127 127 HIS N N 15 124.7 0.1 . 1 . . . . . . . . 5998 1 1428 . 1 1 127 127 HIS H H 1 7.92 0.02 . 1 . . . . . . . . 5998 1 1429 . 1 1 127 127 HIS CA C 13 56.0 0.2 . 1 . . . . . . . . 5998 1 1430 . 1 1 127 127 HIS HA H 1 4.52 0.02 . 1 . . . . . . . . 5998 1 1431 . 1 1 127 127 HIS CB C 13 29.8 0.2 . 1 . . . . . . . . 5998 1 1432 . 1 1 127 127 HIS HB3 H 1 3.26 0.02 . 2 . . . . . . . . 5998 1 1433 . 1 1 127 127 HIS HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5998 1 1434 . 1 1 127 127 HIS CD2 C 13 119.6 0.2 . 1 . . . . . . . . 5998 1 1435 . 1 1 127 127 HIS HD2 H 1 7.14 0.02 . 3 . . . . . . . . 5998 1 1436 . 1 1 127 127 HIS C C 13 179.6 0.2 . 1 . . . . . . . . 5998 1 stop_ save_