data_17210 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17210 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the ATP-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-27 _Entry.Accession_date 2010-09-27 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anastasia Zhuravleva . . . 17210 2 Lila Gierasch . M. . 17210 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry & Molecular Biology and Department of Chemistry, University of Massachusetts, Amhert' . 17210 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17210 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1026 17210 '15N chemical shifts' 331 17210 '1H chemical shifts' 331 17210 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 . . 2011-05-05 2010-09-27 original author . 17210 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17208 'NBD(1-388) (ADP-bound state)' 17210 BMRB 17209 'NBD(1-388) (apo form)' 17210 BMRB 6229 'Entry containing backbone chemical shift assignments for the NBD of thermus thermophilus DnaK' 17210 stop_ save_ ############### # Citations # ############### save_Ref_1 _Citation.Sf_category citations _Citation.Sf_framecode Ref_1 _Citation.Entry_ID 17210 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _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 . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 277 _Citation.Page_last 293 _Citation.Year 1995 _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 F. Delaglio . . . 17210 1 2 S. Grzesiek . . . 17210 1 3 G. Vuister . . . 17210 1 4 G. Zhu . . . 17210 1 5 J. Pfeifer . . . 17210 1 6 A. Bax . . . 17210 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17210 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21482798 _Citation.Full_citation . _Citation.Title 'Allosteric signal transmission in the nucleotide-binding domain of 70-kDa heat shock protein (Hsp70) molecular chaperones.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 17 _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 6987 _Citation.Page_last 6992 _Citation.Year 2011 _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 Anastasia Zhuravleva . . . 17210 2 2 Lila Gierasch . M. . 17210 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID allostery 17210 2 'conformational ensemble' 17210 2 DnaK 17210 2 'Hsp70 molecular chaperone' 17210 2 'interdomain linker' 17210 2 'nucleotide-binding domain' 17210 2 'subdomain motions' 17210 2 stop_ save_ save_Ref_2 _Citation.Sf_category citations _Citation.Sf_framecode Ref_2 _Citation.Entry_ID 17210 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Automated analysis of protein NMR assignments using methods from artificial intelligence' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 269 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 592 _Citation.Page_last 610 _Citation.Year 1997 _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 D. Zimmerman . . . 17210 3 2 C. Kulikowski . . . 17210 3 3 Y. Huang . . . 17210 3 4 W. Feng . . . 17210 3 5 M. Tashiro . . . 17210 3 6 S. Shimotakahara . . . 17210 3 7 C. Chien . . . 17210 3 8 R. Powers . . . 17210 3 9 G. Montelione . . . 17210 3 stop_ save_ save_Ref_3 _Citation.Sf_category citations _Citation.Sf_framecode Ref_3 _Citation.Entry_ID 17210 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Optimizing the process of nuclear magnetic resonance spectrum analysis and computer aided resonance assignment' _Citation.Status published _Citation.Type thesis _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution ETH _Citation.Thesis_institution_city Zurich _Citation.Thesis_institution_country Switzerland _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Keller . . . 17210 4 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17210 _Assembly.ID 1 _Assembly.Name NBD(1-392) _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NBD 1 $the_nucleotide-binding_domain_of_DnaK A . yes native no no . . . 17210 1 2 ATP 2 $ATP B . no native no no . . . 17210 1 3 ATPgS 3 $AGS C . no native no no . . . 17210 1 4 MG 4 $MG D . no native no no . . . 17210 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1DKG . . X-ray 2.8 'Structure of the NBD of the DnaK bound to the nucleotide-exchange factor GrpE' . 17210 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_the_nucleotide-binding_domain_of_DnaK _Entity.Sf_category entity _Entity.Sf_framecode the_nucleotide-binding_domain_of_DnaK _Entity.Entry_ID 17210 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name the_nucleotide-binding_domain_of_DnaK _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 ; MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGAF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIEPL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKDVLLL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 392 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'nucleotide-binding domain' _Entity.Mutation T199A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17208 . the_nucleotide-binding_domain_of_DnaK . . . . . 98.98 388 99.74 99.74 0.00e+00 . . . . 17210 1 2 no BMRB 17209 . the_nucleotide-binding_domain_of_DnaK . . . . . 98.98 388 99.74 99.74 0.00e+00 . . . . 17210 1 3 no PDB 1DKG . "Crystal Structure Of The Nucleotide Exchange Factor Grpe Bound To The Atpase Domain Of The Molecular Chaperone Dnak" . . . . . 97.70 383 99.48 99.48 0.00e+00 . . . . 17210 1 4 no PDB 2KHO . "Nmr-Rdc XRAY STRUCTURE OF E. COLI HSP70 (DNAK) CHAPERONE (1-605) Complexed With Adp And Substrate" . . . . . 100.00 605 99.74 99.74 0.00e+00 . . . . 17210 1 5 no PDB 4B9Q . "Open Conformation Of Atp-Bound Hsp70 Homolog Dnak" . . . . . 99.74 605 97.70 97.70 0.00e+00 . . . . 17210 1 6 no PDB 4JN4 . "Allosteric Opening Of The Polypeptide-binding Site When An Hsp70 Binds Atp" . . . . . 99.74 608 100.00 100.00 0.00e+00 . . . . 17210 1 7 no PDB 4JNE . "Allosteric Opening Of The Polypeptide-binding Site When An Hsp70 Binds Atp" . . . . . 99.74 608 100.00 100.00 0.00e+00 . . . . 17210 1 8 no DBJ BAA01595 . "DnaK protein homolog [Escherichia coli]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 9 no DBJ BAB33437 . "heat shock protein DnaK [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 10 no DBJ BAB96589 . "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 11 no DBJ BAG75537 . "chaperone protein DnaK [Escherichia coli SE11]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 12 no DBJ BAI23377 . "chaperone Hsp70 [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 13 no EMBL CAD01165 . "DnaK protein (heat shock protein 70) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 638 96.94 98.47 0.00e+00 . . . . 17210 1 14 no EMBL CAP74584 . "chaperone protein dnaK [Escherichia coli LF82]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 15 no EMBL CAQ30531 . "chaperone Hsp70; DNA biosynthesis; autoregulated heat shock proteins, subunit of DnaJ/DnaK/GrpE [Escherichia coli BL21(DE3)]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 16 no EMBL CAQ87598 . "chaperone Hsp70, co-chaperone with DnaJ [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 17 no EMBL CAQ96905 . "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli IAI1]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 18 no GB AAA23694 . "heat shock protein 70 precursor [Escherichia coli]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 19 no GB AAB02910 . "DnaK [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 638 96.94 98.47 0.00e+00 . . . . 17210 1 20 no GB AAC73125 . "chaperone Hsp70, with co-chaperone DnaJ [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 21 no GB AAG54314 . "chaperone Hsp70; DNA biosynthesis; autoregulated heat shock proteins [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 22 no GB AAL18976 . "chaperone Hsp70 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 638 96.94 98.47 0.00e+00 . . . . 17210 1 23 no PIR AE0503 . "DnaK protein (heat shock protein 70) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 638 96.94 98.47 0.00e+00 . . . . 17210 1 24 no REF NP_308041 . "molecular chaperone DnaK [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 25 no REF NP_414555 . "chaperone Hsp70, with co-chaperone DnaJ [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 26 no REF NP_454622 . "DnaK protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 638 96.94 98.47 0.00e+00 . . . . 17210 1 27 no REF NP_459017 . "chaperone protein DnaK [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 638 96.94 98.47 0.00e+00 . . . . 17210 1 28 no REF NP_705973 . "molecular chaperone DnaK [Shigella flexneri 2a str. 301]" . . . . . 100.00 638 99.49 99.49 0.00e+00 . . . . 17210 1 29 no SP A1A766 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 30 no SP A7MIK5 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 100.00 638 97.70 98.98 0.00e+00 . . . . 17210 1 31 no SP A7ZHA4 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 32 no SP A7ZVV7 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 100.00 638 99.74 99.74 0.00e+00 . . . . 17210 1 33 no SP A8ALU3 . "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" . . . . . 100.00 638 97.45 98.72 0.00e+00 . . . . 17210 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'molecular chaperon' 17210 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 . 17210 1 2 . GLY . 17210 1 3 . LYS . 17210 1 4 . ILE . 17210 1 5 . ILE . 17210 1 6 . GLY . 17210 1 7 . ILE . 17210 1 8 . ASP . 17210 1 9 . LEU . 17210 1 10 . GLY . 17210 1 11 . THR . 17210 1 12 . THR . 17210 1 13 . ASN . 17210 1 14 . SER . 17210 1 15 . CYS . 17210 1 16 . VAL . 17210 1 17 . ALA . 17210 1 18 . ILE . 17210 1 19 . MET . 17210 1 20 . ASP . 17210 1 21 . GLY . 17210 1 22 . THR . 17210 1 23 . THR . 17210 1 24 . PRO . 17210 1 25 . ARG . 17210 1 26 . VAL . 17210 1 27 . LEU . 17210 1 28 . GLU . 17210 1 29 . ASN . 17210 1 30 . ALA . 17210 1 31 . GLU . 17210 1 32 . GLY . 17210 1 33 . ASP . 17210 1 34 . ARG . 17210 1 35 . THR . 17210 1 36 . THR . 17210 1 37 . PRO . 17210 1 38 . SER . 17210 1 39 . ILE . 17210 1 40 . ILE . 17210 1 41 . ALA . 17210 1 42 . TYR . 17210 1 43 . THR . 17210 1 44 . GLN . 17210 1 45 . ASP . 17210 1 46 . GLY . 17210 1 47 . GLU . 17210 1 48 . THR . 17210 1 49 . LEU . 17210 1 50 . VAL . 17210 1 51 . GLY . 17210 1 52 . GLN . 17210 1 53 . PRO . 17210 1 54 . ALA . 17210 1 55 . LYS . 17210 1 56 . ARG . 17210 1 57 . GLN . 17210 1 58 . ALA . 17210 1 59 . VAL . 17210 1 60 . THR . 17210 1 61 . ASN . 17210 1 62 . PRO . 17210 1 63 . GLN . 17210 1 64 . ASN . 17210 1 65 . THR . 17210 1 66 . LEU . 17210 1 67 . PHE . 17210 1 68 . ALA . 17210 1 69 . ILE . 17210 1 70 . LYS . 17210 1 71 . ARG . 17210 1 72 . LEU . 17210 1 73 . ILE . 17210 1 74 . GLY . 17210 1 75 . ARG . 17210 1 76 . ARG . 17210 1 77 . PHE . 17210 1 78 . GLN . 17210 1 79 . ASP . 17210 1 80 . GLU . 17210 1 81 . GLU . 17210 1 82 . VAL . 17210 1 83 . GLN . 17210 1 84 . ARG . 17210 1 85 . ASP . 17210 1 86 . VAL . 17210 1 87 . SER . 17210 1 88 . ILE . 17210 1 89 . MET . 17210 1 90 . PRO . 17210 1 91 . PHE . 17210 1 92 . LYS . 17210 1 93 . ILE . 17210 1 94 . ILE . 17210 1 95 . ALA . 17210 1 96 . ALA . 17210 1 97 . ASP . 17210 1 98 . ASN . 17210 1 99 . GLY . 17210 1 100 . ASP . 17210 1 101 . ALA . 17210 1 102 . TRP . 17210 1 103 . VAL . 17210 1 104 . GLU . 17210 1 105 . VAL . 17210 1 106 . LYS . 17210 1 107 . GLY . 17210 1 108 . GLN . 17210 1 109 . LYS . 17210 1 110 . MET . 17210 1 111 . ALA . 17210 1 112 . PRO . 17210 1 113 . PRO . 17210 1 114 . GLN . 17210 1 115 . ILE . 17210 1 116 . SER . 17210 1 117 . ALA . 17210 1 118 . GLU . 17210 1 119 . VAL . 17210 1 120 . LEU . 17210 1 121 . LYS . 17210 1 122 . LYS . 17210 1 123 . MET . 17210 1 124 . LYS . 17210 1 125 . LYS . 17210 1 126 . THR . 17210 1 127 . ALA . 17210 1 128 . GLU . 17210 1 129 . ASP . 17210 1 130 . TYR . 17210 1 131 . LEU . 17210 1 132 . GLY . 17210 1 133 . GLU . 17210 1 134 . PRO . 17210 1 135 . VAL . 17210 1 136 . THR . 17210 1 137 . GLU . 17210 1 138 . ALA . 17210 1 139 . VAL . 17210 1 140 . ILE . 17210 1 141 . THR . 17210 1 142 . VAL . 17210 1 143 . PRO . 17210 1 144 . ALA . 17210 1 145 . TYR . 17210 1 146 . PHE . 17210 1 147 . ASN . 17210 1 148 . ASP . 17210 1 149 . ALA . 17210 1 150 . GLN . 17210 1 151 . ARG . 17210 1 152 . GLN . 17210 1 153 . ALA . 17210 1 154 . THR . 17210 1 155 . LYS . 17210 1 156 . ASP . 17210 1 157 . ALA . 17210 1 158 . GLY . 17210 1 159 . ARG . 17210 1 160 . ILE . 17210 1 161 . ALA . 17210 1 162 . GLY . 17210 1 163 . LEU . 17210 1 164 . GLU . 17210 1 165 . VAL . 17210 1 166 . LYS . 17210 1 167 . ARG . 17210 1 168 . ILE . 17210 1 169 . ILE . 17210 1 170 . ASN . 17210 1 171 . GLU . 17210 1 172 . PRO . 17210 1 173 . THR . 17210 1 174 . ALA . 17210 1 175 . ALA . 17210 1 176 . ALA . 17210 1 177 . LEU . 17210 1 178 . ALA . 17210 1 179 . TYR . 17210 1 180 . GLY . 17210 1 181 . LEU . 17210 1 182 . ASP . 17210 1 183 . LYS . 17210 1 184 . GLY . 17210 1 185 . THR . 17210 1 186 . GLY . 17210 1 187 . ASN . 17210 1 188 . ARG . 17210 1 189 . THR . 17210 1 190 . ILE . 17210 1 191 . ALA . 17210 1 192 . VAL . 17210 1 193 . TYR . 17210 1 194 . ASP . 17210 1 195 . LEU . 17210 1 196 . GLY . 17210 1 197 . GLY . 17210 1 198 . GLY . 17210 1 199 . ALA . 17210 1 200 . PHE . 17210 1 201 . ASP . 17210 1 202 . ILE . 17210 1 203 . SER . 17210 1 204 . ILE . 17210 1 205 . ILE . 17210 1 206 . GLU . 17210 1 207 . ILE . 17210 1 208 . ASP . 17210 1 209 . GLU . 17210 1 210 . VAL . 17210 1 211 . ASP . 17210 1 212 . GLY . 17210 1 213 . GLU . 17210 1 214 . LYS . 17210 1 215 . THR . 17210 1 216 . PHE . 17210 1 217 . GLU . 17210 1 218 . VAL . 17210 1 219 . LEU . 17210 1 220 . ALA . 17210 1 221 . THR . 17210 1 222 . ASN . 17210 1 223 . GLY . 17210 1 224 . ASP . 17210 1 225 . THR . 17210 1 226 . HIS . 17210 1 227 . LEU . 17210 1 228 . GLY . 17210 1 229 . GLY . 17210 1 230 . GLU . 17210 1 231 . ASP . 17210 1 232 . PHE . 17210 1 233 . ASP . 17210 1 234 . SER . 17210 1 235 . ARG . 17210 1 236 . LEU . 17210 1 237 . ILE . 17210 1 238 . ASN . 17210 1 239 . TYR . 17210 1 240 . LEU . 17210 1 241 . VAL . 17210 1 242 . GLU . 17210 1 243 . GLU . 17210 1 244 . PHE . 17210 1 245 . LYS . 17210 1 246 . LYS . 17210 1 247 . ASP . 17210 1 248 . GLN . 17210 1 249 . GLY . 17210 1 250 . ILE . 17210 1 251 . ASP . 17210 1 252 . LEU . 17210 1 253 . ARG . 17210 1 254 . ASN . 17210 1 255 . ASP . 17210 1 256 . PRO . 17210 1 257 . LEU . 17210 1 258 . ALA . 17210 1 259 . MET . 17210 1 260 . GLN . 17210 1 261 . ARG . 17210 1 262 . LEU . 17210 1 263 . LYS . 17210 1 264 . GLU . 17210 1 265 . ALA . 17210 1 266 . ALA . 17210 1 267 . GLU . 17210 1 268 . LYS . 17210 1 269 . ALA . 17210 1 270 . LYS . 17210 1 271 . ILE . 17210 1 272 . GLU . 17210 1 273 . LEU . 17210 1 274 . SER . 17210 1 275 . SER . 17210 1 276 . ALA . 17210 1 277 . GLN . 17210 1 278 . GLN . 17210 1 279 . THR . 17210 1 280 . ASP . 17210 1 281 . VAL . 17210 1 282 . ASN . 17210 1 283 . LEU . 17210 1 284 . PRO . 17210 1 285 . TYR . 17210 1 286 . ILE . 17210 1 287 . THR . 17210 1 288 . ALA . 17210 1 289 . ASP . 17210 1 290 . ALA . 17210 1 291 . THR . 17210 1 292 . GLY . 17210 1 293 . PRO . 17210 1 294 . LYS . 17210 1 295 . HIS . 17210 1 296 . MET . 17210 1 297 . ASN . 17210 1 298 . ILE . 17210 1 299 . LYS . 17210 1 300 . VAL . 17210 1 301 . THR . 17210 1 302 . ARG . 17210 1 303 . ALA . 17210 1 304 . LYS . 17210 1 305 . LEU . 17210 1 306 . GLU . 17210 1 307 . SER . 17210 1 308 . LEU . 17210 1 309 . VAL . 17210 1 310 . GLU . 17210 1 311 . ASP . 17210 1 312 . LEU . 17210 1 313 . VAL . 17210 1 314 . ASN . 17210 1 315 . ARG . 17210 1 316 . SER . 17210 1 317 . ILE . 17210 1 318 . GLU . 17210 1 319 . PRO . 17210 1 320 . LEU . 17210 1 321 . LYS . 17210 1 322 . VAL . 17210 1 323 . ALA . 17210 1 324 . LEU . 17210 1 325 . GLN . 17210 1 326 . ASP . 17210 1 327 . ALA . 17210 1 328 . GLY . 17210 1 329 . LEU . 17210 1 330 . SER . 17210 1 331 . VAL . 17210 1 332 . SER . 17210 1 333 . ASP . 17210 1 334 . ILE . 17210 1 335 . ASP . 17210 1 336 . ASP . 17210 1 337 . VAL . 17210 1 338 . ILE . 17210 1 339 . LEU . 17210 1 340 . VAL . 17210 1 341 . GLY . 17210 1 342 . GLY . 17210 1 343 . GLN . 17210 1 344 . THR . 17210 1 345 . ARG . 17210 1 346 . MET . 17210 1 347 . PRO . 17210 1 348 . MET . 17210 1 349 . VAL . 17210 1 350 . GLN . 17210 1 351 . LYS . 17210 1 352 . LYS . 17210 1 353 . VAL . 17210 1 354 . ALA . 17210 1 355 . GLU . 17210 1 356 . PHE . 17210 1 357 . PHE . 17210 1 358 . GLY . 17210 1 359 . LYS . 17210 1 360 . GLU . 17210 1 361 . PRO . 17210 1 362 . ARG . 17210 1 363 . LYS . 17210 1 364 . ASP . 17210 1 365 . VAL . 17210 1 366 . ASN . 17210 1 367 . PRO . 17210 1 368 . ASP . 17210 1 369 . GLU . 17210 1 370 . ALA . 17210 1 371 . VAL . 17210 1 372 . ALA . 17210 1 373 . ILE . 17210 1 374 . GLY . 17210 1 375 . ALA . 17210 1 376 . ALA . 17210 1 377 . VAL . 17210 1 378 . GLN . 17210 1 379 . GLY . 17210 1 380 . GLY . 17210 1 381 . VAL . 17210 1 382 . LEU . 17210 1 383 . THR . 17210 1 384 . GLY . 17210 1 385 . ASP . 17210 1 386 . VAL . 17210 1 387 . LYS . 17210 1 388 . ASP . 17210 1 389 . VAL . 17210 1 390 . LEU . 17210 1 391 . LEU . 17210 1 392 . LEU . 17210 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 17210 1 . GLY 2 2 17210 1 . LYS 3 3 17210 1 . ILE 4 4 17210 1 . ILE 5 5 17210 1 . GLY 6 6 17210 1 . ILE 7 7 17210 1 . ASP 8 8 17210 1 . LEU 9 9 17210 1 . GLY 10 10 17210 1 . THR 11 11 17210 1 . THR 12 12 17210 1 . ASN 13 13 17210 1 . SER 14 14 17210 1 . CYS 15 15 17210 1 . VAL 16 16 17210 1 . ALA 17 17 17210 1 . ILE 18 18 17210 1 . MET 19 19 17210 1 . ASP 20 20 17210 1 . GLY 21 21 17210 1 . THR 22 22 17210 1 . THR 23 23 17210 1 . PRO 24 24 17210 1 . ARG 25 25 17210 1 . VAL 26 26 17210 1 . LEU 27 27 17210 1 . GLU 28 28 17210 1 . ASN 29 29 17210 1 . ALA 30 30 17210 1 . GLU 31 31 17210 1 . GLY 32 32 17210 1 . ASP 33 33 17210 1 . ARG 34 34 17210 1 . THR 35 35 17210 1 . THR 36 36 17210 1 . PRO 37 37 17210 1 . SER 38 38 17210 1 . ILE 39 39 17210 1 . ILE 40 40 17210 1 . ALA 41 41 17210 1 . TYR 42 42 17210 1 . THR 43 43 17210 1 . GLN 44 44 17210 1 . ASP 45 45 17210 1 . GLY 46 46 17210 1 . GLU 47 47 17210 1 . THR 48 48 17210 1 . LEU 49 49 17210 1 . VAL 50 50 17210 1 . GLY 51 51 17210 1 . GLN 52 52 17210 1 . PRO 53 53 17210 1 . ALA 54 54 17210 1 . LYS 55 55 17210 1 . ARG 56 56 17210 1 . GLN 57 57 17210 1 . ALA 58 58 17210 1 . VAL 59 59 17210 1 . THR 60 60 17210 1 . ASN 61 61 17210 1 . PRO 62 62 17210 1 . GLN 63 63 17210 1 . ASN 64 64 17210 1 . THR 65 65 17210 1 . LEU 66 66 17210 1 . PHE 67 67 17210 1 . ALA 68 68 17210 1 . ILE 69 69 17210 1 . LYS 70 70 17210 1 . ARG 71 71 17210 1 . LEU 72 72 17210 1 . ILE 73 73 17210 1 . GLY 74 74 17210 1 . ARG 75 75 17210 1 . ARG 76 76 17210 1 . PHE 77 77 17210 1 . GLN 78 78 17210 1 . ASP 79 79 17210 1 . GLU 80 80 17210 1 . GLU 81 81 17210 1 . VAL 82 82 17210 1 . GLN 83 83 17210 1 . ARG 84 84 17210 1 . ASP 85 85 17210 1 . VAL 86 86 17210 1 . SER 87 87 17210 1 . ILE 88 88 17210 1 . MET 89 89 17210 1 . PRO 90 90 17210 1 . PHE 91 91 17210 1 . LYS 92 92 17210 1 . ILE 93 93 17210 1 . ILE 94 94 17210 1 . ALA 95 95 17210 1 . ALA 96 96 17210 1 . ASP 97 97 17210 1 . ASN 98 98 17210 1 . GLY 99 99 17210 1 . ASP 100 100 17210 1 . ALA 101 101 17210 1 . TRP 102 102 17210 1 . VAL 103 103 17210 1 . GLU 104 104 17210 1 . VAL 105 105 17210 1 . LYS 106 106 17210 1 . GLY 107 107 17210 1 . GLN 108 108 17210 1 . LYS 109 109 17210 1 . MET 110 110 17210 1 . ALA 111 111 17210 1 . PRO 112 112 17210 1 . PRO 113 113 17210 1 . GLN 114 114 17210 1 . ILE 115 115 17210 1 . SER 116 116 17210 1 . ALA 117 117 17210 1 . GLU 118 118 17210 1 . VAL 119 119 17210 1 . LEU 120 120 17210 1 . LYS 121 121 17210 1 . LYS 122 122 17210 1 . MET 123 123 17210 1 . LYS 124 124 17210 1 . LYS 125 125 17210 1 . THR 126 126 17210 1 . ALA 127 127 17210 1 . GLU 128 128 17210 1 . ASP 129 129 17210 1 . TYR 130 130 17210 1 . LEU 131 131 17210 1 . GLY 132 132 17210 1 . GLU 133 133 17210 1 . PRO 134 134 17210 1 . VAL 135 135 17210 1 . THR 136 136 17210 1 . GLU 137 137 17210 1 . ALA 138 138 17210 1 . VAL 139 139 17210 1 . ILE 140 140 17210 1 . THR 141 141 17210 1 . VAL 142 142 17210 1 . PRO 143 143 17210 1 . ALA 144 144 17210 1 . TYR 145 145 17210 1 . PHE 146 146 17210 1 . ASN 147 147 17210 1 . ASP 148 148 17210 1 . ALA 149 149 17210 1 . GLN 150 150 17210 1 . ARG 151 151 17210 1 . GLN 152 152 17210 1 . ALA 153 153 17210 1 . THR 154 154 17210 1 . LYS 155 155 17210 1 . ASP 156 156 17210 1 . ALA 157 157 17210 1 . GLY 158 158 17210 1 . ARG 159 159 17210 1 . ILE 160 160 17210 1 . ALA 161 161 17210 1 . GLY 162 162 17210 1 . LEU 163 163 17210 1 . GLU 164 164 17210 1 . VAL 165 165 17210 1 . LYS 166 166 17210 1 . ARG 167 167 17210 1 . ILE 168 168 17210 1 . ILE 169 169 17210 1 . ASN 170 170 17210 1 . GLU 171 171 17210 1 . PRO 172 172 17210 1 . THR 173 173 17210 1 . ALA 174 174 17210 1 . ALA 175 175 17210 1 . ALA 176 176 17210 1 . LEU 177 177 17210 1 . ALA 178 178 17210 1 . TYR 179 179 17210 1 . GLY 180 180 17210 1 . LEU 181 181 17210 1 . ASP 182 182 17210 1 . LYS 183 183 17210 1 . GLY 184 184 17210 1 . THR 185 185 17210 1 . GLY 186 186 17210 1 . ASN 187 187 17210 1 . ARG 188 188 17210 1 . THR 189 189 17210 1 . ILE 190 190 17210 1 . ALA 191 191 17210 1 . VAL 192 192 17210 1 . TYR 193 193 17210 1 . ASP 194 194 17210 1 . LEU 195 195 17210 1 . GLY 196 196 17210 1 . GLY 197 197 17210 1 . GLY 198 198 17210 1 . ALA 199 199 17210 1 . PHE 200 200 17210 1 . ASP 201 201 17210 1 . ILE 202 202 17210 1 . SER 203 203 17210 1 . ILE 204 204 17210 1 . ILE 205 205 17210 1 . GLU 206 206 17210 1 . ILE 207 207 17210 1 . ASP 208 208 17210 1 . GLU 209 209 17210 1 . VAL 210 210 17210 1 . ASP 211 211 17210 1 . GLY 212 212 17210 1 . GLU 213 213 17210 1 . LYS 214 214 17210 1 . THR 215 215 17210 1 . PHE 216 216 17210 1 . GLU 217 217 17210 1 . VAL 218 218 17210 1 . LEU 219 219 17210 1 . ALA 220 220 17210 1 . THR 221 221 17210 1 . ASN 222 222 17210 1 . GLY 223 223 17210 1 . ASP 224 224 17210 1 . THR 225 225 17210 1 . HIS 226 226 17210 1 . LEU 227 227 17210 1 . GLY 228 228 17210 1 . GLY 229 229 17210 1 . GLU 230 230 17210 1 . ASP 231 231 17210 1 . PHE 232 232 17210 1 . ASP 233 233 17210 1 . SER 234 234 17210 1 . ARG 235 235 17210 1 . LEU 236 236 17210 1 . ILE 237 237 17210 1 . ASN 238 238 17210 1 . TYR 239 239 17210 1 . LEU 240 240 17210 1 . VAL 241 241 17210 1 . GLU 242 242 17210 1 . GLU 243 243 17210 1 . PHE 244 244 17210 1 . LYS 245 245 17210 1 . LYS 246 246 17210 1 . ASP 247 247 17210 1 . GLN 248 248 17210 1 . GLY 249 249 17210 1 . ILE 250 250 17210 1 . ASP 251 251 17210 1 . LEU 252 252 17210 1 . ARG 253 253 17210 1 . ASN 254 254 17210 1 . ASP 255 255 17210 1 . PRO 256 256 17210 1 . LEU 257 257 17210 1 . ALA 258 258 17210 1 . MET 259 259 17210 1 . GLN 260 260 17210 1 . ARG 261 261 17210 1 . LEU 262 262 17210 1 . LYS 263 263 17210 1 . GLU 264 264 17210 1 . ALA 265 265 17210 1 . ALA 266 266 17210 1 . GLU 267 267 17210 1 . LYS 268 268 17210 1 . ALA 269 269 17210 1 . LYS 270 270 17210 1 . ILE 271 271 17210 1 . GLU 272 272 17210 1 . LEU 273 273 17210 1 . SER 274 274 17210 1 . SER 275 275 17210 1 . ALA 276 276 17210 1 . GLN 277 277 17210 1 . GLN 278 278 17210 1 . THR 279 279 17210 1 . ASP 280 280 17210 1 . VAL 281 281 17210 1 . ASN 282 282 17210 1 . LEU 283 283 17210 1 . PRO 284 284 17210 1 . TYR 285 285 17210 1 . ILE 286 286 17210 1 . THR 287 287 17210 1 . ALA 288 288 17210 1 . ASP 289 289 17210 1 . ALA 290 290 17210 1 . THR 291 291 17210 1 . GLY 292 292 17210 1 . PRO 293 293 17210 1 . LYS 294 294 17210 1 . HIS 295 295 17210 1 . MET 296 296 17210 1 . ASN 297 297 17210 1 . ILE 298 298 17210 1 . LYS 299 299 17210 1 . VAL 300 300 17210 1 . THR 301 301 17210 1 . ARG 302 302 17210 1 . ALA 303 303 17210 1 . LYS 304 304 17210 1 . LEU 305 305 17210 1 . GLU 306 306 17210 1 . SER 307 307 17210 1 . LEU 308 308 17210 1 . VAL 309 309 17210 1 . GLU 310 310 17210 1 . ASP 311 311 17210 1 . LEU 312 312 17210 1 . VAL 313 313 17210 1 . ASN 314 314 17210 1 . ARG 315 315 17210 1 . SER 316 316 17210 1 . ILE 317 317 17210 1 . GLU 318 318 17210 1 . PRO 319 319 17210 1 . LEU 320 320 17210 1 . LYS 321 321 17210 1 . VAL 322 322 17210 1 . ALA 323 323 17210 1 . LEU 324 324 17210 1 . GLN 325 325 17210 1 . ASP 326 326 17210 1 . ALA 327 327 17210 1 . GLY 328 328 17210 1 . LEU 329 329 17210 1 . SER 330 330 17210 1 . VAL 331 331 17210 1 . SER 332 332 17210 1 . ASP 333 333 17210 1 . ILE 334 334 17210 1 . ASP 335 335 17210 1 . ASP 336 336 17210 1 . VAL 337 337 17210 1 . ILE 338 338 17210 1 . LEU 339 339 17210 1 . VAL 340 340 17210 1 . GLY 341 341 17210 1 . GLY 342 342 17210 1 . GLN 343 343 17210 1 . THR 344 344 17210 1 . ARG 345 345 17210 1 . MET 346 346 17210 1 . PRO 347 347 17210 1 . MET 348 348 17210 1 . VAL 349 349 17210 1 . GLN 350 350 17210 1 . LYS 351 351 17210 1 . LYS 352 352 17210 1 . VAL 353 353 17210 1 . ALA 354 354 17210 1 . GLU 355 355 17210 1 . PHE 356 356 17210 1 . PHE 357 357 17210 1 . GLY 358 358 17210 1 . LYS 359 359 17210 1 . GLU 360 360 17210 1 . PRO 361 361 17210 1 . ARG 362 362 17210 1 . LYS 363 363 17210 1 . ASP 364 364 17210 1 . VAL 365 365 17210 1 . ASN 366 366 17210 1 . PRO 367 367 17210 1 . ASP 368 368 17210 1 . GLU 369 369 17210 1 . ALA 370 370 17210 1 . VAL 371 371 17210 1 . ALA 372 372 17210 1 . ILE 373 373 17210 1 . GLY 374 374 17210 1 . ALA 375 375 17210 1 . ALA 376 376 17210 1 . VAL 377 377 17210 1 . GLN 378 378 17210 1 . GLY 379 379 17210 1 . GLY 380 380 17210 1 . VAL 381 381 17210 1 . LEU 382 382 17210 1 . THR 383 383 17210 1 . GLY 384 384 17210 1 . ASP 385 385 17210 1 . VAL 386 386 17210 1 . LYS 387 387 17210 1 . ASP 388 388 17210 1 . VAL 389 389 17210 1 . LEU 390 390 17210 1 . LEU 391 391 17210 1 . LEU 392 392 17210 1 stop_ save_ save_ATP _Entity.Sf_category entity _Entity.Sf_framecode ATP _Entity.Entry_ID 17210 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ATP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ATP . 17210 2 stop_ save_ save_AGS _Entity.Sf_category entity _Entity.Sf_framecode AGS _Entity.Entry_ID 17210 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name AGS _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID AGS _Entity.Nonpolymer_comp_label $chem_comp_AGS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . AGS . 17210 3 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 17210 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 17210 4 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 17210 _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 $the_nucleotide-binding_domain_of_DnaK . 562 plasmid . 'Escherichia coli' 'E. coli' . . bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17210 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 17210 _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 $the_nucleotide-binding_domain_of_DnaK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pMS119-EH . . . . . . 17210 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ATP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ATP _Chem_comp.Entry_ID 17210 _Chem_comp.ID ATP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-TRIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ATP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ATP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0U _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 13:35:56 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17210 ATP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17210 ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 17210 ATP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17210 ATP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17210 ATP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 17210 ATP ZKHQWZAMYRWXGA-KQYNXXCUSA-N InChIKey InChI 1.03 17210 ATP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17210 ATP 'adenosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 17210 ATP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 46.107 . 45.182 . 56.950 . 1.200 -0.226 -6.850 1 . 17210 ATP O1G . O1G . . O . . N 0 . . . . no no . . . . 45.779 . 46.330 . 56.052 . 1.740 1.140 -6.672 2 . 17210 ATP O2G . O2G . . O . . N 0 . . . . no no . . . . 47.382 . 44.497 . 56.626 . 2.123 -1.036 -7.891 3 . 17210 ATP O3G . O3G . . O . . N 0 . . . . no no . . . . 45.972 . 45.530 . 58.375 . -0.302 -0.139 -7.421 4 . 17210 ATP PB . PB . . P . . R 0 . . . . no no . . . . 43.911 . 43.740 . 55.655 . 0.255 -0.130 -4.446 5 . 17210 ATP O1B . O1B . . O . . N 0 . . . . no no . . . . 42.975 . 42.722 . 55.986 . 0.810 1.234 -4.304 6 . 17210 ATP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.603 . 44.767 . 54.678 . -1.231 -0.044 -5.057 7 . 17210 ATP O3B . O3B . . O . . N 0 . . . . no no . . . . 45.041 . 44.015 . 56.738 . 1.192 -0.990 -5.433 8 . 17210 ATP PA . PA . . P . . R 0 . . . . no no . . . . 45.228 . 42.669 . 53.257 . -0.745 0.068 -2.071 9 . 17210 ATP O1A . O1A . . O . . N 0 . . . . no no . . . . 46.380 . 43.396 . 52.788 . -2.097 0.143 -2.669 10 . 17210 ATP O2A . O2A . . O . . N 0 . . . . no no . . . . 44.183 . 42.190 . 52.351 . -0.125 1.549 -1.957 11 . 17210 ATP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.917 . 42.716 . 54.789 . 0.203 -0.840 -3.002 12 . 17210 ATP O5' . O5' . . O . . N 0 . . . . no no . . . . 46.172 . 41.568 . 53.302 . -0.844 -0.587 -0.604 13 . 17210 ATP C5' . C5' . . C . . N 0 . . . . no no . . . . 46.609 . 40.422 . 53.542 . -1.694 0.260 0.170 14 . 17210 ATP C4' . C4' . . C . . R 0 . . . . no no . . . . 46.520 . 38.989 . 53.364 . -1.831 -0.309 1.584 15 . 17210 ATP O4' . O4' . . O . . N 0 . . . . no no . . . . 46.785 . 38.908 . 51.948 . -0.542 -0.355 2.234 16 . 17210 ATP C3' . C3' . . C . . S 0 . . . . no no . . . . 47.808 . 38.874 . 54.112 . -2.683 0.630 2.465 17 . 17210 ATP O3' . O3' . . O . . N 0 . . . . no no . . . . 47.713 . 38.357 . 55.423 . -4.033 0.165 2.534 18 . 17210 ATP C2' . C2' . . C . . R 0 . . . . no no . . . . 48.719 . 38.116 . 53.139 . -2.011 0.555 3.856 19 . 17210 ATP O2' . O2' . . O . . N 0 . . . . no no . . . . 48.632 . 36.737 . 53.425 . -2.926 0.043 4.827 20 . 17210 ATP C1' . C1' . . C . . R 0 . . . . no no . . . . 48.133 . 38.409 . 51.721 . -0.830 -0.418 3.647 21 . 17210 ATP N9 . N9 . . N . . N 0 . . . . yes no . . . . 48.846 . 39.464 . 50.986 . 0.332 0.015 4.425 22 . 17210 ATP C8 . C8 . . C . . N 0 . . . . yes no . . . . 48.616 . 40.842 . 50.945 . 1.302 0.879 4.012 23 . 17210 ATP N7 . N7 . . N . . N 0 . . . . yes no . . . . 49.425 . 41.489 . 50.165 . 2.184 1.042 4.955 24 . 17210 ATP C5 . C5 . . C . . N 0 . . . . yes no . . . . 50.232 . 40.470 . 49.664 . 1.833 0.300 6.033 25 . 17210 ATP C6 . C6 . . C . . N 0 . . . . yes no . . . . 51.308 . 40.466 . 48.731 . 2.391 0.077 7.303 26 . 17210 ATP N6 . N6 . . N . . N 0 . . . . no no . . . . 51.721 . 41.568 . 48.129 . 3.564 0.706 7.681 27 . 17210 ATP N1 . N1 . . N . . N 0 . . . . yes no . . . . 51.912 . 39.274 . 48.447 . 1.763 -0.747 8.135 28 . 17210 ATP C2 . C2 . . C . . N 0 . . . . yes no . . . . 51.493 . 38.151 . 49.029 . 0.644 -1.352 7.783 29 . 17210 ATP N3 . N3 . . N . . N 0 . . . . yes no . . . . 50.491 . 38.016 . 49.900 . 0.088 -1.178 6.602 30 . 17210 ATP C4 . C4 . . C . . N 0 . . . . yes no . . . . 49.892 . 39.253 . 50.171 . 0.644 -0.371 5.704 31 . 17210 ATP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 47.590 . 43.767 . 57.197 . 2.100 -0.546 -8.725 32 . 17210 ATP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 46.180 . 44.800 . 58.946 . -0.616 -1.048 -7.522 33 . 17210 ATP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 44.228 . 45.447 . 54.456 . -1.554 -0.952 -5.132 34 . 17210 ATP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.423 . 41.710 . 52.660 . 0.752 1.455 -1.563 35 . 17210 ATP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 47.666 . 40.570 . 53.221 . -2.678 0.312 -0.296 36 . 17210 ATP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 46.587 . 40.459 . 54.656 . -1.263 1.259 0.221 37 . 17210 ATP H4' . H4' . . H . . N 0 . . . . no no . . . . 45.665 . 38.327 . 53.639 . -2.275 -1.304 1.550 38 . 17210 ATP H3' . H3' . . H . . N 0 . . . . no no . . . . 48.234 . 39.870 . 54.375 . -2.651 1.649 2.078 39 . 17210 ATP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 48.532 . 38.283 . 55.898 . -4.515 0.788 3.094 40 . 17210 ATP H2' . H2' . . H . . N 0 . . . . no no . . . . 49.788 . 38.422 . 53.212 . -1.646 1.537 4.157 41 . 17210 ATP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 49.196 . 36.267 . 52.822 . -3.667 0.662 4.867 42 . 17210 ATP H1' . H1' . . H . . N 0 . . . . no no . . . . 48.203 . 37.474 . 51.117 . -1.119 -1.430 3.931 43 . 17210 ATP H8 . H8 . . H . . N 0 . . . . no no . . . . 47.836 . 41.390 . 51.499 . 1.334 1.357 3.044 44 . 17210 ATP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 52.491 . 41.565 . 47.460 . 3.938 0.548 8.562 45 . 17210 ATP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 51.940 . 42.252 . 48.852 . 4.015 1.303 7.064 46 . 17210 ATP H2 . H2 . . H . . N 0 . . . . no no . . . . 52.036 . 37.229 . 48.759 . 0.166 -2.014 8.490 47 . 17210 ATP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 17210 ATP 2 . SING PG O2G no N 2 . 17210 ATP 3 . SING PG O3G no N 3 . 17210 ATP 4 . SING PG O3B no N 4 . 17210 ATP 5 . SING O2G HOG2 no N 5 . 17210 ATP 6 . SING O3G HOG3 no N 6 . 17210 ATP 7 . DOUB PB O1B no N 7 . 17210 ATP 8 . SING PB O2B no N 8 . 17210 ATP 9 . SING PB O3B no N 9 . 17210 ATP 10 . SING PB O3A no N 10 . 17210 ATP 11 . SING O2B HOB2 no N 11 . 17210 ATP 12 . DOUB PA O1A no N 12 . 17210 ATP 13 . SING PA O2A no N 13 . 17210 ATP 14 . SING PA O3A no N 14 . 17210 ATP 15 . SING PA O5' no N 15 . 17210 ATP 16 . SING O2A HOA2 no N 16 . 17210 ATP 17 . SING O5' C5' no N 17 . 17210 ATP 18 . SING C5' C4' no N 18 . 17210 ATP 19 . SING C5' H5'1 no N 19 . 17210 ATP 20 . SING C5' H5'2 no N 20 . 17210 ATP 21 . SING C4' O4' no N 21 . 17210 ATP 22 . SING C4' C3' no N 22 . 17210 ATP 23 . SING C4' H4' no N 23 . 17210 ATP 24 . SING O4' C1' no N 24 . 17210 ATP 25 . SING C3' O3' no N 25 . 17210 ATP 26 . SING C3' C2' no N 26 . 17210 ATP 27 . SING C3' H3' no N 27 . 17210 ATP 28 . SING O3' HO3' no N 28 . 17210 ATP 29 . SING C2' O2' no N 29 . 17210 ATP 30 . SING C2' C1' no N 30 . 17210 ATP 31 . SING C2' H2' no N 31 . 17210 ATP 32 . SING O2' HO2' no N 32 . 17210 ATP 33 . SING C1' N9 no N 33 . 17210 ATP 34 . SING C1' H1' no N 34 . 17210 ATP 35 . SING N9 C8 yes N 35 . 17210 ATP 36 . SING N9 C4 yes N 36 . 17210 ATP 37 . DOUB C8 N7 yes N 37 . 17210 ATP 38 . SING C8 H8 no N 38 . 17210 ATP 39 . SING N7 C5 yes N 39 . 17210 ATP 40 . SING C5 C6 yes N 40 . 17210 ATP 41 . DOUB C5 C4 yes N 41 . 17210 ATP 42 . SING C6 N6 no N 42 . 17210 ATP 43 . DOUB C6 N1 yes N 43 . 17210 ATP 44 . SING N6 HN61 no N 44 . 17210 ATP 45 . SING N6 HN62 no N 45 . 17210 ATP 46 . SING N1 C2 yes N 46 . 17210 ATP 47 . DOUB C2 N3 yes N 47 . 17210 ATP 48 . SING C2 H2 no N 48 . 17210 ATP 49 . SING N3 C4 yes N 49 . 17210 ATP stop_ save_ save_chem_comp_AGS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AGS _Chem_comp.Entry_ID 17210 _Chem_comp.ID AGS _Chem_comp.Provenance . _Chem_comp.Name 'PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code AGS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AGS _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'ATP GAMMA-S' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O12 P3 S' _Chem_comp.Formula_weight 523.247 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1MMG _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 13:36:40 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17210 AGS c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)S)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17210 AGS InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 17210 AGS Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P@](O)(S)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17210 AGS Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17210 AGS NLTUCYMLOPLUHL-KQYNXXCUSA-N InChIKey InChI 1.03 17210 AGS O=P(O)(S)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 17210 AGS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17210 AGS 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine 'SYSTEMATIC NAME' ACDLabs 10.04 17210 AGS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . S 0 . . . . no no . . . . 19.268 . 31.770 . 23.126 . 0.971 -0.475 -6.665 1 . 17210 AGS S1G . S1G . . S . . N 0 . . . . no no . . . . 21.065 . 32.639 . 23.413 . 1.863 1.437 -6.461 2 . 17210 AGS O2G . O2G . . O . . N 0 . . . . no no . . . . 18.713 . 31.367 . 24.546 . 1.822 -1.356 -7.710 3 . 17210 AGS O3G . O3G . . O . . N 0 . . . . no no . . . . 19.419 . 30.562 . 22.220 . -0.414 -0.322 -7.163 4 . 17210 AGS PB . PB . . P . . S 0 . . . . no no . . . . 17.866 . 33.370 . 21.089 . 0.085 -0.281 -4.244 5 . 17210 AGS O1B . O1B . . O . . N 0 . . . . no no . . . . 18.381 . 34.736 . 20.924 . 0.722 1.050 -4.139 6 . 17210 AGS O2B . O2B . . O . . N 0 . . . . no no . . . . 18.364 . 32.276 . 20.112 . -1.406 -0.118 -4.826 7 . 17210 AGS O3B . O3B . . O . . N 0 . . . . no no . . . . 18.173 . 32.841 . 22.584 . 0.949 -1.212 -5.234 8 . 17210 AGS PA . PA . . P . . S 0 . . . . no no . . . . 15.223 . 32.680 . 20.323 . -0.851 0.016 -1.853 9 . 17210 AGS O1A . O1A . . O . . N 0 . . . . no no . . . . 15.301 . 32.939 . 18.769 . -0.200 1.343 -1.785 10 . 17210 AGS O2A . O2A . . O . . N 0 . . . . no no . . . . 15.270 . 31.169 . 20.572 . -2.328 0.174 -2.475 11 . 17210 AGS O3A . O3A . . O . . N 0 . . . . no no . . . . 16.296 . 33.429 . 21.145 . 0.022 -0.962 -2.787 12 . 17210 AGS O5' . O5' . . O . . N 0 . . . . no no . . . . 13.895 . 33.409 . 20.870 . -0.956 -0.607 -0.373 13 . 17210 AGS C5' . C5' . . C . . N 0 . . . . no no . . . . 13.156 . 32.787 . 21.952 . -1.739 0.302 0.403 14 . 17210 AGS C4' . C4' . . C . . R 0 . . . . no no . . . . 11.671 . 32.879 . 21.645 . -1.878 -0.233 1.829 15 . 17210 AGS O4' . O4' . . O . . N 0 . . . . no no . . . . 11.338 . 34.239 . 21.298 . -0.581 -0.344 2.453 16 . 17210 AGS C3' . C3' . . C . . S 0 . . . . no no . . . . 11.203 . 32.098 . 20.420 . -2.655 0.770 2.709 17 . 17210 AGS O3' . O3' . . O . . N 0 . . . . no no . . . . 11.227 . 30.645 . 20.593 . -4.027 0.386 2.815 18 . 17210 AGS C2' . C2' . . C . . R 0 . . . . no no . . . . 9.870 . 32.845 . 20.212 . -1.959 0.679 4.088 19 . 17210 AGS O2' . O2' . . O . . N 0 . . . . no no . . . . 8.853 . 32.591 . 21.205 . -2.881 0.238 5.086 20 . 17210 AGS C1' . C1' . . C . . R 0 . . . . no no . . . . 10.315 . 34.261 . 20.396 . -0.842 -0.366 3.873 21 . 17210 AGS N9 . N9 . . N . . N 0 . . . . yes no . . . . 10.700 . 34.897 . 19.153 . 0.360 0.011 4.619 22 . 17210 AGS C8 . C8 . . C . . N 0 . . . . yes no . . . . 11.902 . 35.271 . 18.665 . 1.370 0.808 4.170 23 . 17210 AGS N7 . N7 . . N . . N 0 . . . . yes no . . . . 11.791 . 36.062 . 17.588 . 2.280 0.935 5.092 24 . 17210 AGS C5 . C5 . . C . . N 0 . . . . yes no . . . . 10.424 . 36.081 . 17.338 . 1.910 0.234 6.190 25 . 17210 AGS C6 . C6 . . C . . N 0 . . . . yes no . . . . 9.656 . 36.702 . 16.326 . 2.481 0.000 7.453 26 . 17210 AGS N6 . N6 . . N . . N 0 . . . . no no . . . . 10.064 . 37.403 . 15.377 . 3.697 0.565 7.795 27 . 17210 AGS N1 . N1 . . N . . N 0 . . . . yes no . . . . 8.322 . 36.453 . 16.468 . 1.823 -0.771 8.312 28 . 17210 AGS C2 . C2 . . C . . N 0 . . . . yes no . . . . 7.752 . 35.743 . 17.494 . 0.663 -1.314 7.994 29 . 17210 AGS N3 . N3 . . N . . N 0 . . . . yes no . . . . 8.432 . 35.156 . 18.440 . 0.093 -1.128 6.822 30 . 17210 AGS C4 . C4 . . C . . N 0 . . . . yes no . . . . 9.762 . 35.345 . 18.288 . 0.676 -0.371 5.898 31 . 17210 AGS HSG . HSG . . H . . N 0 . . . . no no . . . . 21.399 . 32.881 . 22.557 . 3.079 1.080 -6.011 32 . 17210 AGS HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 17.866 . 30.957 . 24.410 . 1.810 -0.880 -8.552 33 . 17210 AGS HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 18.031 . 31.392 . 20.218 . -1.784 -1.007 -4.879 34 . 17210 AGS HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 15.223 . 31.013 . 21.507 . -2.716 -0.711 -2.502 35 . 17210 AGS H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 13.486 . 31.740 . 22.147 . -2.727 0.404 -0.044 36 . 17210 AGS H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 13.413 . 33.218 . 22.947 . -1.248 1.275 0.426 37 . 17210 AGS H4' . H4' . . H . . N 0 . . . . no no . . . . 11.189 . 32.473 . 22.565 . -2.380 -1.200 1.823 38 . 17210 AGS H3' . H3' . . H . . N 0 . . . . no no . . . . 11.835 . 32.094 . 19.501 . -2.571 1.778 2.304 39 . 17210 AGS HO3' . HO3' . . H . . N 0 . . . . no no . . . . 10.935 . 30.158 . 19.830 . -4.460 1.046 3.373 40 . 17210 AGS H2' . H2' . . H . . N 0 . . . . no no . . . . 9.401 . 32.551 . 19.243 . -1.530 1.642 4.364 41 . 17210 AGS HO2' . HO2' . . H . . N 0 . . . . no no . . . . 8.031 . 33.051 . 21.076 . -3.584 0.902 5.130 42 . 17210 AGS H1' . H1' . . H . . N 0 . . . . no no . . . . 9.467 . 34.879 . 20.773 . -1.184 -1.354 4.181 43 . 17210 AGS H8 . H8 . . H . . N 0 . . . . no no . . . . 12.868 . 34.964 . 19.098 . 1.410 1.267 3.193 44 . 17210 AGS HN61 . HN61 . . H . . N 0 . . . . no no . . . . 9.510 . 37.850 . 14.647 . 4.079 0.400 8.671 45 . 17210 AGS HN62 . HN62 . . H . . N 0 . . . . no no . . . . 10.757 . 36.834 . 14.890 . 4.169 1.124 7.158 46 . 17210 AGS H2 . H2 . . H . . N 0 . . . . no no . . . . 6.656 . 35.635 . 17.564 . 0.162 -1.935 8.723 47 . 17210 AGS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING PG S1G no N 1 . 17210 AGS 2 . SING PG O2G no N 2 . 17210 AGS 3 . DOUB PG O3G no N 3 . 17210 AGS 4 . SING PG O3B no N 4 . 17210 AGS 5 . SING S1G HSG no N 5 . 17210 AGS 6 . SING O2G HOG2 no N 6 . 17210 AGS 7 . DOUB PB O1B no N 7 . 17210 AGS 8 . SING PB O2B no N 8 . 17210 AGS 9 . SING PB O3B no N 9 . 17210 AGS 10 . SING PB O3A no N 10 . 17210 AGS 11 . SING O2B HOB2 no N 11 . 17210 AGS 12 . DOUB PA O1A no N 12 . 17210 AGS 13 . SING PA O2A no N 13 . 17210 AGS 14 . SING PA O3A no N 14 . 17210 AGS 15 . SING PA O5' no N 15 . 17210 AGS 16 . SING O2A HOA2 no N 16 . 17210 AGS 17 . SING O5' C5' no N 17 . 17210 AGS 18 . SING C5' C4' no N 18 . 17210 AGS 19 . SING C5' H5'1 no N 19 . 17210 AGS 20 . SING C5' H5'2 no N 20 . 17210 AGS 21 . SING C4' O4' no N 21 . 17210 AGS 22 . SING C4' C3' no N 22 . 17210 AGS 23 . SING C4' H4' no N 23 . 17210 AGS 24 . SING O4' C1' no N 24 . 17210 AGS 25 . SING C3' O3' no N 25 . 17210 AGS 26 . SING C3' C2' no N 26 . 17210 AGS 27 . SING C3' H3' no N 27 . 17210 AGS 28 . SING O3' HO3' no N 28 . 17210 AGS 29 . SING C2' O2' no N 29 . 17210 AGS 30 . SING C2' C1' no N 30 . 17210 AGS 31 . SING C2' H2' no N 31 . 17210 AGS 32 . SING O2' HO2' no N 32 . 17210 AGS 33 . SING C1' N9 no N 33 . 17210 AGS 34 . SING C1' H1' no N 34 . 17210 AGS 35 . SING N9 C8 yes N 35 . 17210 AGS 36 . SING N9 C4 yes N 36 . 17210 AGS 37 . DOUB C8 N7 yes N 37 . 17210 AGS 38 . SING C8 H8 no N 38 . 17210 AGS 39 . SING N7 C5 yes N 39 . 17210 AGS 40 . SING C5 C6 yes N 40 . 17210 AGS 41 . DOUB C5 C4 yes N 41 . 17210 AGS 42 . SING C6 N6 no N 42 . 17210 AGS 43 . DOUB C6 N1 yes N 43 . 17210 AGS 44 . SING N6 HN61 no N 44 . 17210 AGS 45 . SING N6 HN62 no N 45 . 17210 AGS 46 . SING N1 C2 yes N 46 . 17210 AGS 47 . DOUB C2 N3 yes N 47 . 17210 AGS 48 . SING C2 H2 no N 48 . 17210 AGS 49 . SING N3 C4 yes N 49 . 17210 AGS stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 17210 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:39:07 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 17210 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 17210 MG [Mg++] SMILES CACTVS 3.341 17210 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 17210 MG [Mg+2] SMILES ACDLabs 10.04 17210 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 17210 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17210 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 17210 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17210 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17210 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DnaK392_ATP _Sample.Sf_category sample _Sample.Sf_framecode DnaK392_ATP _Sample.Entry_ID 17210 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17210 1 2 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17210 1 3 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . uM . . . . 17210 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17210 1 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17210 1 6 ATP 'natural abundance' . . . . . . 10 . . mM . . . . 17210 1 7 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17210 1 8 'the nucleotide-binding domain of DnaK' '[U-97% 2H; U-95% 13C; U-95% 15N]' . . 1 $the_nucleotide-binding_domain_of_DnaK . . 0.5 . . mM . . . . 17210 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17210 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17210 1 stop_ save_ save_DnaK392_ATPgS _Sample.Sf_category sample _Sample.Sf_framecode DnaK392_ATPgS _Sample.Entry_ID 17210 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17210 2 2 'magnesium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17210 2 3 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . uM . . . . 17210 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17210 2 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 17210 2 6 ATPgS 'natural abundance' . . . . . . 10 . . mM . . . . 17210 2 7 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17210 2 8 'the nucleotide-binding domain of DnaK' '[U-97% 2H; U-95% 13C; U-95% 15N]' . . 1 $the_nucleotide-binding_domain_of_DnaK . . 0.5 . . mM . . . . 17210 2 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17210 2 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17210 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17210 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 17210 1 pH 7.0 0.1 pH 17210 1 pressure 1 . atm 17210 1 temperature 299 0.2 K 17210 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17210 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17210 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17210 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17210 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17210 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17210 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17210 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, Wuthrich' . . 17210 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17210 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17210 _Software.ID 4 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17210 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17210 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17210 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17210 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'TCI cryoprobe' . . 17210 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 17210 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $DnaK392_ATP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 2 '3D TROSY-HNCO' no . . . . . . . . . . 1 $DnaK392_ATP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 3 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $DnaK392_ATP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 4 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $DnaK392_ATP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 5 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $DnaK392_ATPgS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 6 '3D TROSY-HNCO' no . . . . . . . . . . 2 $DnaK392_ATPgS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 7 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 2 $DnaK392_ATPgS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 8 '3D TROSY-HNCACB' no . . . . . . . . . . 2 $DnaK392_ATPgS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 9 '3D TROSY-HNCA' no . . . . . . . . . . 2 $DnaK392_ATPgS isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17210 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17210 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17210 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17210 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17210 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17210 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 'Chemical shifts for CA, CB and N atoms were corrected for H2-isotope effects' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 17210 1 2 '3D TROSY-HNCO' . . . 17210 1 3 '3D TROSY-HNCACB' . . . 17210 1 4 '3D TROSY-HN(CO)CACB' . . . 17210 1 5 '2D 1H-15N TROSY' . . . 17210 1 6 '3D TROSY-HNCO' . . . 17210 1 7 '3D TROSY-HN(CA)CO' . . . 17210 1 8 '3D TROSY-HNCACB' . . . 17210 1 9 '3D TROSY-HNCA' . . . 17210 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 17210 1 2 $NMRDraw . . 17210 1 3 $CARA . . 17210 1 4 $AutoAssign . . 17210 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY C C 13 170.522 0.3 . 1 . . . . 2 GLY C . 17210 1 2 . 1 1 2 2 GLY CA C 13 43.368 0.3 . 1 . . . . 2 GLY CA . 17210 1 3 . 1 1 3 3 LYS H H 1 8.997 0.03 . 1 . . . . 3 LYS H . 17210 1 4 . 1 1 3 3 LYS C C 13 175.5 0.3 . 1 . . . . 3 LYS C . 17210 1 5 . 1 1 3 3 LYS CA C 13 55.375 0.3 . 1 . . . . 3 LYS CA . 17210 1 6 . 1 1 3 3 LYS CB C 13 33.009 0.3 . 1 . . . . 3 LYS CB . 17210 1 7 . 1 1 3 3 LYS N N 15 121.967 0.3 . 1 . . . . 3 LYS N . 17210 1 8 . 1 1 4 4 ILE H H 1 8.029 0.03 . 1 . . . . 4 ILE H . 17210 1 9 . 1 1 4 4 ILE C C 13 176.395 0.3 . 1 . . . . 4 ILE C . 17210 1 10 . 1 1 4 4 ILE CA C 13 61.032 0.3 . 1 . . . . 4 ILE CA . 17210 1 11 . 1 1 4 4 ILE CB C 13 38.179 0.3 . 1 . . . . 4 ILE CB . 17210 1 12 . 1 1 4 4 ILE N N 15 122.138 0.3 . 1 . . . . 4 ILE N . 17210 1 13 . 1 1 5 5 ILE H H 1 7.496 0.03 . 1 . . . . 5 ILE H . 17210 1 14 . 1 1 5 5 ILE C C 13 173.798 0.3 . 1 . . . . 5 ILE C . 17210 1 15 . 1 1 5 5 ILE CA C 13 61.169 0.3 . 1 . . . . 5 ILE CA . 17210 1 16 . 1 1 5 5 ILE CB C 13 39.479 0.3 . 1 . . . . 5 ILE CB . 17210 1 17 . 1 1 5 5 ILE N N 15 120.481 0.3 . 1 . . . . 5 ILE N . 17210 1 18 . 1 1 6 6 GLY H H 1 9.084 0.03 . 1 . . . . 6 GLY H . 17210 1 19 . 1 1 6 6 GLY C C 13 171.658 0.3 . 1 . . . . 6 GLY C . 17210 1 20 . 1 1 6 6 GLY CA C 13 44.589 0.3 . 1 . . . . 6 GLY CA . 17210 1 21 . 1 1 6 6 GLY N N 15 109.888 0.3 . 1 . . . . 6 GLY N . 17210 1 22 . 1 1 7 7 ILE H H 1 8.541 0.03 . 1 . . . . 7 ILE H . 17210 1 23 . 1 1 7 7 ILE C C 13 174.193 0.3 . 1 . . . . 7 ILE C . 17210 1 24 . 1 1 7 7 ILE CA C 13 60.569 0.3 . 1 . . . . 7 ILE CA . 17210 1 25 . 1 1 7 7 ILE CB C 13 42.779 0.3 . 1 . . . . 7 ILE CB . 17210 1 26 . 1 1 7 7 ILE N N 15 123.693 0.3 . 1 . . . . 7 ILE N . 17210 1 27 . 1 1 8 8 ASP H H 1 8.186 0.03 . 1 . . . . 8 ASP H . 17210 1 28 . 1 1 8 8 ASP C C 13 175.781 0.3 . 1 . . . . 8 ASP C . 17210 1 29 . 1 1 8 8 ASP CA C 13 51.621 0.3 . 1 . . . . 8 ASP CA . 17210 1 30 . 1 1 8 8 ASP CB C 13 42.284 0.3 . 1 . . . . 8 ASP CB . 17210 1 31 . 1 1 8 8 ASP N N 15 124.111 0.3 . 1 . . . . 8 ASP N . 17210 1 32 . 1 1 9 9 LEU H H 1 6.623 0.03 . 1 . . . . 9 LEU H . 17210 1 33 . 1 1 9 9 LEU C C 13 175.009 0.3 . 1 . . . . 9 LEU C . 17210 1 34 . 1 1 9 9 LEU CA C 13 52.349 0.3 . 1 . . . . 9 LEU CA . 17210 1 35 . 1 1 9 9 LEU CB C 13 42.359 0.3 . 1 . . . . 9 LEU CB . 17210 1 36 . 1 1 9 9 LEU N N 15 128.619 0.3 . 1 . . . . 9 LEU N . 17210 1 37 . 1 1 10 10 GLY H H 1 7.398 0.03 . 1 . . . . 10 GLY H . 17210 1 38 . 1 1 10 10 GLY CA C 13 45.644 0.3 . 1 . . . . 10 GLY CA . 17210 1 39 . 1 1 10 10 GLY N N 15 115.402 0.3 . 1 . . . . 10 GLY N . 17210 1 40 . 1 1 12 12 THR C C 13 175.122 0.3 . 1 . . . . 12 THR C . 17210 1 41 . 1 1 13 13 ASN H H 1 9.326 0.03 . 1 . . . . 13 ASN H . 17210 1 42 . 1 1 13 13 ASN C C 13 174.711 0.3 . 1 . . . . 13 ASN C . 17210 1 43 . 1 1 13 13 ASN CA C 13 53.281 0.3 . 1 . . . . 13 ASN CA . 17210 1 44 . 1 1 13 13 ASN CB C 13 43.87 0.3 . 1 . . . . 13 ASN CB . 17210 1 45 . 1 1 13 13 ASN N N 15 122.271 0.3 . 1 . . . . 13 ASN N . 17210 1 46 . 1 1 14 14 SER H H 1 9.677 0.03 . 1 . . . . 14 SER H . 17210 1 47 . 1 1 14 14 SER C C 13 172.105 0.3 . 1 . . . . 14 SER C . 17210 1 48 . 1 1 14 14 SER CA C 13 58.444 0.3 . 1 . . . . 14 SER CA . 17210 1 49 . 1 1 14 14 SER CB C 13 65.859 0.3 . 1 . . . . 14 SER CB . 17210 1 50 . 1 1 14 14 SER N N 15 118.29 0.3 . 1 . . . . 14 SER N . 17210 1 51 . 1 1 15 15 CYS H H 1 8.501 0.03 . 1 . . . . 15 CYS H . 17210 1 52 . 1 1 15 15 CYS C C 13 170.588 0.3 . 1 . . . . 15 CYS C . 17210 1 53 . 1 1 15 15 CYS CA C 13 58.08 0.3 . 1 . . . . 15 CYS CA . 17210 1 54 . 1 1 15 15 CYS CB C 13 30.099 0.3 . 1 . . . . 15 CYS CB . 17210 1 55 . 1 1 15 15 CYS N N 15 123.581 0.3 . 1 . . . . 15 CYS N . 17210 1 56 . 1 1 16 16 VAL H H 1 9.162 0.03 . 1 . . . . 16 VAL H . 17210 1 57 . 1 1 16 16 VAL C C 13 170.397 0.3 . 1 . . . . 16 VAL C . 17210 1 58 . 1 1 16 16 VAL CA C 13 58.639 0.3 . 1 . . . . 16 VAL CA . 17210 1 59 . 1 1 16 16 VAL CB C 13 35.399 0.3 . 1 . . . . 16 VAL CB . 17210 1 60 . 1 1 16 16 VAL N N 15 127.825 0.3 . 1 . . . . 16 VAL N . 17210 1 61 . 1 1 17 17 ALA H H 1 9.021 0.03 . 1 . . . . 17 ALA H . 17210 1 62 . 1 1 17 17 ALA C C 13 175.273 0.3 . 1 . . . . 17 ALA C . 17210 1 63 . 1 1 17 17 ALA CA C 13 49.779 0.3 . 1 . . . . 17 ALA CA . 17210 1 64 . 1 1 17 17 ALA CB C 13 23.599 0.3 . 1 . . . . 17 ALA CB . 17210 1 65 . 1 1 17 17 ALA N N 15 128.355 0.3 . 1 . . . . 17 ALA N . 17210 1 66 . 1 1 18 18 ILE H H 1 8.476 0.03 . 1 . . . . 18 ILE H . 17210 1 67 . 1 1 18 18 ILE C C 13 174.573 0.3 . 1 . . . . 18 ILE C . 17210 1 68 . 1 1 18 18 ILE CA C 13 58.969 0.3 . 1 . . . . 18 ILE CA . 17210 1 69 . 1 1 18 18 ILE CB C 13 43.379 0.3 . 1 . . . . 18 ILE CB . 17210 1 70 . 1 1 18 18 ILE N N 15 113.508 0.3 . 1 . . . . 18 ILE N . 17210 1 71 . 1 1 19 19 MET H H 1 8.293 0.03 . 1 . . . . 19 MET H . 17210 1 72 . 1 1 19 19 MET C C 13 174.724 0.3 . 1 . . . . 19 MET C . 17210 1 73 . 1 1 19 19 MET CA C 13 53.922 0.3 . 1 . . . . 19 MET CA . 17210 1 74 . 1 1 19 19 MET CB C 13 29.474 0.3 . 1 . . . . 19 MET CB . 17210 1 75 . 1 1 19 19 MET N N 15 120.804 0.3 . 1 . . . . 19 MET N . 17210 1 76 . 1 1 20 20 ASP H H 1 8.349 0.03 . 1 . . . . 20 ASP H . 17210 1 77 . 1 1 20 20 ASP C C 13 176.001 0.3 . 1 . . . . 20 ASP C . 17210 1 78 . 1 1 20 20 ASP CA C 13 52.121 0.3 . 1 . . . . 20 ASP CA . 17210 1 79 . 1 1 20 20 ASP CB C 13 40.549 0.3 . 1 . . . . 20 ASP CB . 17210 1 80 . 1 1 20 20 ASP N N 15 127.728 0.3 . 1 . . . . 20 ASP N . 17210 1 81 . 1 1 21 21 GLY H H 1 8.191 0.03 . 1 . . . . 21 GLY H . 17210 1 82 . 1 1 21 21 GLY C C 13 174.499 0.3 . 1 . . . . 21 GLY C . 17210 1 83 . 1 1 21 21 GLY CA C 13 46.489 0.3 . 1 . . . . 21 GLY CA . 17210 1 84 . 1 1 21 21 GLY N N 15 114.691 0.3 . 1 . . . . 21 GLY N . 17210 1 85 . 1 1 22 22 THR H H 1 8.3 0.03 . 1 . . . . 22 THR H . 17210 1 86 . 1 1 22 22 THR C C 13 174.324 0.3 . 1 . . . . 22 THR C . 17210 1 87 . 1 1 22 22 THR CA C 13 61.929 0.3 . 1 . . . . 22 THR CA . 17210 1 88 . 1 1 22 22 THR CB C 13 69.209 0.3 . 1 . . . . 22 THR CB . 17210 1 89 . 1 1 22 22 THR N N 15 116.479 0.3 . 1 . . . . 22 THR N . 17210 1 90 . 1 1 23 23 THR H H 1 7.625 0.03 . 1 . . . . 23 THR H . 17210 1 91 . 1 1 23 23 THR C C 13 171.699 0.3 . 1 . . . . 23 THR C . 17210 1 92 . 1 1 23 23 THR CA C 13 59.192 0.3 . 1 . . . . 23 THR CA . 17210 1 93 . 1 1 23 23 THR CB C 13 71.272 0.3 . 1 . . . . 23 THR CB . 17210 1 94 . 1 1 23 23 THR N N 15 118.712 0.3 . 1 . . . . 23 THR N . 17210 1 95 . 1 1 24 24 PRO C C 13 176.234 0.3 . 1 . . . . 24 PRO C . 17210 1 96 . 1 1 24 24 PRO CA C 13 62.409 0.3 . 1 . . . . 24 PRO CA . 17210 1 97 . 1 1 24 24 PRO CB C 13 32.794 0.3 . 1 . . . . 24 PRO CB . 17210 1 98 . 1 1 25 25 ARG H H 1 9.06 0.03 . 1 . . . . 25 ARG H . 17210 1 99 . 1 1 25 25 ARG C C 13 174.668 0.3 . 1 . . . . 25 ARG C . 17210 1 100 . 1 1 25 25 ARG CA C 13 55.259 0.3 . 1 . . . . 25 ARG CA . 17210 1 101 . 1 1 25 25 ARG CB C 13 33.909 0.3 . 1 . . . . 25 ARG CB . 17210 1 102 . 1 1 25 25 ARG N N 15 123.794 0.3 . 1 . . . . 25 ARG N . 17210 1 103 . 1 1 26 26 VAL H H 1 8.353 0.03 . 1 . . . . 26 VAL H . 17210 1 104 . 1 1 26 26 VAL C C 13 175.613 0.3 . 1 . . . . 26 VAL C . 17210 1 105 . 1 1 26 26 VAL CA C 13 63.039 0.3 . 1 . . . . 26 VAL CA . 17210 1 106 . 1 1 26 26 VAL CB C 13 32.199 0.3 . 1 . . . . 26 VAL CB . 17210 1 107 . 1 1 26 26 VAL N N 15 127.998 0.3 . 1 . . . . 26 VAL N . 17210 1 108 . 1 1 27 27 LEU H H 1 7.926 0.03 . 1 . . . . 27 LEU H . 17210 1 109 . 1 1 27 27 LEU C C 13 175.884 0.3 . 1 . . . . 27 LEU C . 17210 1 110 . 1 1 27 27 LEU CA C 13 53.919 0.3 . 1 . . . . 27 LEU CA . 17210 1 111 . 1 1 27 27 LEU CB C 13 42.751 0.3 . 1 . . . . 27 LEU CB . 17210 1 112 . 1 1 27 27 LEU N N 15 125.974 0.3 . 1 . . . . 27 LEU N . 17210 1 113 . 1 1 28 28 GLU H H 1 8.128 0.03 . 1 . . . . 28 GLU H . 17210 1 114 . 1 1 28 28 GLU C C 13 176.293 0.3 . 1 . . . . 28 GLU C . 17210 1 115 . 1 1 28 28 GLU CA C 13 55.901 0.3 . 1 . . . . 28 GLU CA . 17210 1 116 . 1 1 28 28 GLU CB C 13 30.569 0.3 . 1 . . . . 28 GLU CB . 17210 1 117 . 1 1 28 28 GLU N N 15 120.432 0.3 . 1 . . . . 28 GLU N . 17210 1 118 . 1 1 29 29 ASN H H 1 8.102 0.03 . 1 . . . . 29 ASN H . 17210 1 119 . 1 1 29 29 ASN C C 13 177.518 0.3 . 1 . . . . 29 ASN C . 17210 1 120 . 1 1 29 29 ASN CA C 13 51.449 0.3 . 1 . . . . 29 ASN CA . 17210 1 121 . 1 1 29 29 ASN CB C 13 38.909 0.3 . 1 . . . . 29 ASN CB . 17210 1 122 . 1 1 29 29 ASN N N 15 118.763 0.3 . 1 . . . . 29 ASN N . 17210 1 123 . 1 1 30 30 ALA H H 1 8.43 0.03 . 1 . . . . 30 ALA H . 17210 1 124 . 1 1 30 30 ALA C C 13 178.563 0.3 . 1 . . . . 30 ALA C . 17210 1 125 . 1 1 30 30 ALA CA C 13 54.879 0.3 . 1 . . . . 30 ALA CA . 17210 1 126 . 1 1 30 30 ALA CB C 13 18.499 0.3 . 1 . . . . 30 ALA CB . 17210 1 127 . 1 1 30 30 ALA N N 15 121.742 0.3 . 1 . . . . 30 ALA N . 17210 1 128 . 1 1 31 31 GLU H H 1 7.635 0.03 . 1 . . . . 31 GLU H . 17210 1 129 . 1 1 31 31 GLU C C 13 176.2 0.3 . 1 . . . . 31 GLU C . 17210 1 130 . 1 1 31 31 GLU CA C 13 58.589 0.3 . 1 . . . . 31 GLU CA . 17210 1 131 . 1 1 31 31 GLU CB C 13 29.169 0.3 . 1 . . . . 31 GLU CB . 17210 1 132 . 1 1 31 31 GLU N N 15 116.585 0.3 . 1 . . . . 31 GLU N . 17210 1 133 . 1 1 32 32 GLY H H 1 8.153 0.03 . 1 . . . . 32 GLY H . 17210 1 134 . 1 1 32 32 GLY C C 13 173.549 0.3 . 1 . . . . 32 GLY C . 17210 1 135 . 1 1 32 32 GLY CA C 13 44.989 0.3 . 1 . . . . 32 GLY CA . 17210 1 136 . 1 1 32 32 GLY N N 15 108.459 0.3 . 1 . . . . 32 GLY N . 17210 1 137 . 1 1 33 33 ASP H H 1 7.806 0.03 . 1 . . . . 33 ASP H . 17210 1 138 . 1 1 33 33 ASP C C 13 177.592 0.3 . 1 . . . . 33 ASP C . 17210 1 139 . 1 1 33 33 ASP CA C 13 53.349 0.3 . 1 . . . . 33 ASP CA . 17210 1 140 . 1 1 33 33 ASP CB C 13 43.709 0.3 . 1 . . . . 33 ASP CB . 17210 1 141 . 1 1 33 33 ASP N N 15 119.714 0.3 . 1 . . . . 33 ASP N . 17210 1 142 . 1 1 34 34 ARG H H 1 9.157 0.03 . 1 . . . . 34 ARG H . 17210 1 143 . 1 1 34 34 ARG C C 13 175.258 0.3 . 1 . . . . 34 ARG C . 17210 1 144 . 1 1 34 34 ARG CA C 13 58.059 0.3 . 1 . . . . 34 ARG CA . 17210 1 145 . 1 1 34 34 ARG CB C 13 31.409 0.3 . 1 . . . . 34 ARG CB . 17210 1 146 . 1 1 34 34 ARG N N 15 123.514 0.3 . 1 . . . . 34 ARG N . 17210 1 147 . 1 1 35 35 THR H H 1 7.454 0.03 . 1 . . . . 35 THR H . 17210 1 148 . 1 1 35 35 THR C C 13 173.024 0.3 . 1 . . . . 35 THR C . 17210 1 149 . 1 1 35 35 THR CA C 13 60.466 0.3 . 1 . . . . 35 THR CA . 17210 1 150 . 1 1 35 35 THR CB C 13 71.997 0.3 . 1 . . . . 35 THR CB . 17210 1 151 . 1 1 35 35 THR N N 15 109.166 0.3 . 1 . . . . 35 THR N . 17210 1 152 . 1 1 36 36 THR H H 1 9.251 0.03 . 1 . . . . 36 THR H . 17210 1 153 . 1 1 36 36 THR C C 13 171.699 0.3 . 1 . . . . 36 THR C . 17210 1 154 . 1 1 36 36 THR CA C 13 60.029 0.3 . 1 . . . . 36 THR CA . 17210 1 155 . 1 1 36 36 THR CB C 13 72.909 0.3 . 1 . . . . 36 THR CB . 17210 1 156 . 1 1 36 36 THR N N 15 117.557 0.3 . 1 . . . . 36 THR N . 17210 1 157 . 1 1 38 38 SER C C 13 174.867 0.3 . 1 . . . . 38 SER C . 17210 1 158 . 1 1 39 39 ILE H H 1 8.476 0.03 . 1 . . . . 39 ILE H . 17210 1 159 . 1 1 39 39 ILE C C 13 173.273 0.3 . 1 . . . . 39 ILE C . 17210 1 160 . 1 1 39 39 ILE CA C 13 60.498 0.3 . 1 . . . . 39 ILE CA . 17210 1 161 . 1 1 39 39 ILE CB C 13 41.879 0.3 . 1 . . . . 39 ILE CB . 17210 1 162 . 1 1 39 39 ILE N N 15 128.252 0.3 . 1 . . . . 39 ILE N . 17210 1 163 . 1 1 40 40 ILE H H 1 8.551 0.03 . 1 . . . . 40 ILE H . 17210 1 164 . 1 1 40 40 ILE C C 13 173.491 0.3 . 1 . . . . 40 ILE C . 17210 1 165 . 1 1 40 40 ILE CA C 13 61.069 0.3 . 1 . . . . 40 ILE CA . 17210 1 166 . 1 1 40 40 ILE CB C 13 43.179 0.3 . 1 . . . . 40 ILE CB . 17210 1 167 . 1 1 40 40 ILE N N 15 128.865 0.3 . 1 . . . . 40 ILE N . 17210 1 168 . 1 1 41 41 ALA H H 1 9.351 0.03 . 1 . . . . 41 ALA H . 17210 1 169 . 1 1 41 41 ALA C C 13 174.503 0.3 . 1 . . . . 41 ALA C . 17210 1 170 . 1 1 41 41 ALA CA C 13 49.742 0.3 . 1 . . . . 41 ALA CA . 17210 1 171 . 1 1 41 41 ALA CB C 13 24.874 0.3 . 1 . . . . 41 ALA CB . 17210 1 172 . 1 1 41 41 ALA N N 15 127.454 0.3 . 1 . . . . 41 ALA N . 17210 1 173 . 1 1 42 42 TYR H H 1 7.849 0.03 . 1 . . . . 42 TYR H . 17210 1 174 . 1 1 42 42 TYR C C 13 177.374 0.3 . 1 . . . . 42 TYR C . 17210 1 175 . 1 1 42 42 TYR CA C 13 56.882 0.3 . 1 . . . . 42 TYR CA . 17210 1 176 . 1 1 42 42 TYR CB C 13 39.006 0.3 . 1 . . . . 42 TYR CB . 17210 1 177 . 1 1 42 42 TYR N N 15 121.494 0.3 . 1 . . . . 42 TYR N . 17210 1 178 . 1 1 43 43 THR H H 1 8.626 0.03 . 1 . . . . 43 THR H . 17210 1 179 . 1 1 43 43 THR CA C 13 61.253 0.3 . 1 . . . . 43 THR CA . 17210 1 180 . 1 1 43 43 THR CB C 13 71.256 0.3 . 1 . . . . 43 THR CB . 17210 1 181 . 1 1 43 43 THR N N 15 114.994 0.3 . 1 . . . . 43 THR N . 17210 1 182 . 1 1 44 44 GLN C C 13 176.65 0.3 . 1 . . . . 44 GLN C . 17210 1 183 . 1 1 44 44 GLN CA C 13 58.459 0.3 . 1 . . . . 44 GLN CA . 17210 1 184 . 1 1 45 45 ASP H H 1 7.884 0.03 . 1 . . . . 45 ASP H . 17210 1 185 . 1 1 45 45 ASP C C 13 176.247 0.3 . 1 . . . . 45 ASP C . 17210 1 186 . 1 1 45 45 ASP CA C 13 53.749 0.3 . 1 . . . . 45 ASP CA . 17210 1 187 . 1 1 45 45 ASP CB C 13 40.509 0.3 . 1 . . . . 45 ASP CB . 17210 1 188 . 1 1 45 45 ASP N N 15 116.454 0.3 . 1 . . . . 45 ASP N . 17210 1 189 . 1 1 46 46 GLY H H 1 7.67 0.03 . 1 . . . . 46 GLY H . 17210 1 190 . 1 1 46 46 GLY C C 13 174.717 0.3 . 1 . . . . 46 GLY C . 17210 1 191 . 1 1 46 46 GLY CA C 13 45.889 0.3 . 1 . . . . 46 GLY CA . 17210 1 192 . 1 1 46 46 GLY N N 15 107.522 0.3 . 1 . . . . 46 GLY N . 17210 1 193 . 1 1 47 47 GLU H H 1 7.562 0.03 . 1 . . . . 47 GLU H . 17210 1 194 . 1 1 47 47 GLU C C 13 175.942 0.3 . 1 . . . . 47 GLU C . 17210 1 195 . 1 1 47 47 GLU CA C 13 55.889 0.3 . 1 . . . . 47 GLU CA . 17210 1 196 . 1 1 47 47 GLU CB C 13 31.169 0.3 . 1 . . . . 47 GLU CB . 17210 1 197 . 1 1 47 47 GLU N N 15 120.957 0.3 . 1 . . . . 47 GLU N . 17210 1 198 . 1 1 48 48 THR H H 1 8.538 0.03 . 1 . . . . 48 THR H . 17210 1 199 . 1 1 48 48 THR C C 13 174.075 0.3 . 1 . . . . 48 THR C . 17210 1 200 . 1 1 48 48 THR CA C 13 61.629 0.3 . 1 . . . . 48 THR CA . 17210 1 201 . 1 1 48 48 THR CB C 13 69.484 0.3 . 1 . . . . 48 THR CB . 17210 1 202 . 1 1 48 48 THR N N 15 120.67 0.3 . 1 . . . . 48 THR N . 17210 1 203 . 1 1 49 49 LEU H H 1 9.136 0.03 . 1 . . . . 49 LEU H . 17210 1 204 . 1 1 49 49 LEU C C 13 175.72 0.3 . 1 . . . . 49 LEU C . 17210 1 205 . 1 1 49 49 LEU CA C 13 52.582 0.3 . 1 . . . . 49 LEU CA . 17210 1 206 . 1 1 49 49 LEU CB C 13 45.059 0.3 . 1 . . . . 49 LEU CB . 17210 1 207 . 1 1 49 49 LEU N N 15 127.416 0.3 . 1 . . . . 49 LEU N . 17210 1 208 . 1 1 50 50 VAL H H 1 8.532 0.03 . 1 . . . . 50 VAL H . 17210 1 209 . 1 1 50 50 VAL C C 13 175.949 0.3 . 1 . . . . 50 VAL C . 17210 1 210 . 1 1 50 50 VAL CA C 13 60.939 0.3 . 1 . . . . 50 VAL CA . 17210 1 211 . 1 1 50 50 VAL CB C 13 35.599 0.3 . 1 . . . . 50 VAL CB . 17210 1 212 . 1 1 50 50 VAL N N 15 120.764 0.3 . 1 . . . . 50 VAL N . 17210 1 213 . 1 1 51 51 GLY H H 1 8.718 0.03 . 1 . . . . 51 GLY H . 17210 1 214 . 1 1 51 51 GLY C C 13 176.001 0.3 . 1 . . . . 51 GLY C . 17210 1 215 . 1 1 51 51 GLY CA C 13 44.989 0.3 . 1 . . . . 51 GLY CA . 17210 1 216 . 1 1 51 51 GLY N N 15 114.359 0.3 . 1 . . . . 51 GLY N . 17210 1 217 . 1 1 52 52 GLN H H 1 10.57 0.03 . 1 . . . . 52 GLN H . 17210 1 218 . 1 1 52 52 GLN CA C 13 60.789 0.3 . 1 . . . . 52 GLN CA . 17210 1 219 . 1 1 52 52 GLN CB C 13 25.969 0.3 . 1 . . . . 52 GLN CB . 17210 1 220 . 1 1 52 52 GLN N N 15 129.196 0.3 . 1 . . . . 52 GLN N . 17210 1 221 . 1 1 53 53 PRO C C 13 178.98 0.3 . 1 . . . . 53 PRO C . 17210 1 222 . 1 1 53 53 PRO CA C 13 65.817 0.3 . 1 . . . . 53 PRO CA . 17210 1 223 . 1 1 53 53 PRO CB C 13 31.687 0.3 . 1 . . . . 53 PRO CB . 17210 1 224 . 1 1 54 54 ALA H H 1 6.446 0.03 . 1 . . . . 54 ALA H . 17210 1 225 . 1 1 54 54 ALA C C 13 179.561 0.3 . 1 . . . . 54 ALA C . 17210 1 226 . 1 1 54 54 ALA CA C 13 53.725 0.3 . 1 . . . . 54 ALA CA . 17210 1 227 . 1 1 54 54 ALA CB C 13 19.399 0.3 . 1 . . . . 54 ALA CB . 17210 1 228 . 1 1 54 54 ALA N N 15 116.63 0.3 . 1 . . . . 54 ALA N . 17210 1 229 . 1 1 55 55 LYS H H 1 8.196 0.03 . 1 . . . . 55 LYS H . 17210 1 230 . 1 1 55 55 LYS C C 13 179.094 0.3 . 1 . . . . 55 LYS C . 17210 1 231 . 1 1 55 55 LYS CA C 13 60.172 0.3 . 1 . . . . 55 LYS CA . 17210 1 232 . 1 1 55 55 LYS CB C 13 33.009 0.3 . 1 . . . . 55 LYS CB . 17210 1 233 . 1 1 55 55 LYS N N 15 122.638 0.3 . 1 . . . . 55 LYS N . 17210 1 234 . 1 1 56 56 ARG H H 1 8.053 0.03 . 1 . . . . 56 ARG H . 17210 1 235 . 1 1 56 56 ARG C C 13 176.92 0.3 . 1 . . . . 56 ARG C . 17210 1 236 . 1 1 56 56 ARG CA C 13 58.996 0.3 . 1 . . . . 56 ARG CA . 17210 1 237 . 1 1 56 56 ARG CB C 13 30.709 0.3 . 1 . . . . 56 ARG CB . 17210 1 238 . 1 1 56 56 ARG N N 15 115.4 0.3 . 1 . . . . 56 ARG N . 17210 1 239 . 1 1 57 57 GLN H H 1 7.03 0.03 . 1 . . . . 57 GLN H . 17210 1 240 . 1 1 57 57 GLN C C 13 175.286 0.3 . 1 . . . . 57 GLN C . 17210 1 241 . 1 1 57 57 GLN CA C 13 53.889 0.3 . 1 . . . . 57 GLN CA . 17210 1 242 . 1 1 57 57 GLN CB C 13 29.469 0.3 . 1 . . . . 57 GLN CB . 17210 1 243 . 1 1 57 57 GLN N N 15 111.336 0.3 . 1 . . . . 57 GLN N . 17210 1 244 . 1 1 58 58 ALA H H 1 7.237 0.03 . 1 . . . . 58 ALA H . 17210 1 245 . 1 1 58 58 ALA C C 13 179.824 0.3 . 1 . . . . 58 ALA C . 17210 1 246 . 1 1 58 58 ALA CA C 13 55.779 0.3 . 1 . . . . 58 ALA CA . 17210 1 247 . 1 1 58 58 ALA CB C 13 18.787 0.3 . 1 . . . . 58 ALA CB . 17210 1 248 . 1 1 58 58 ALA N N 15 125.185 0.3 . 1 . . . . 58 ALA N . 17210 1 249 . 1 1 59 59 VAL H H 1 7.969 0.03 . 1 . . . . 59 VAL H . 17210 1 250 . 1 1 59 59 VAL C C 13 176.676 0.3 . 1 . . . . 59 VAL C . 17210 1 251 . 1 1 59 59 VAL CA C 13 64.875 0.3 . 1 . . . . 59 VAL CA . 17210 1 252 . 1 1 59 59 VAL CB C 13 31.777 0.3 . 1 . . . . 59 VAL CB . 17210 1 253 . 1 1 59 59 VAL N N 15 113.489 0.3 . 1 . . . . 59 VAL N . 17210 1 254 . 1 1 60 60 THR H H 1 7.021 0.03 . 1 . . . . 60 THR H . 17210 1 255 . 1 1 60 60 THR C C 13 174.557 0.3 . 1 . . . . 60 THR C . 17210 1 256 . 1 1 60 60 THR CA C 13 61.754 0.3 . 1 . . . . 60 THR CA . 17210 1 257 . 1 1 60 60 THR CB C 13 69.309 0.3 . 1 . . . . 60 THR CB . 17210 1 258 . 1 1 60 60 THR N N 15 107.899 0.3 . 1 . . . . 60 THR N . 17210 1 259 . 1 1 61 61 ASN H H 1 7.512 0.03 . 1 . . . . 61 ASN H . 17210 1 260 . 1 1 61 61 ASN C C 13 173.699 0.3 . 1 . . . . 61 ASN C . 17210 1 261 . 1 1 61 61 ASN CA C 13 51.249 0.3 . 1 . . . . 61 ASN CA . 17210 1 262 . 1 1 61 61 ASN CB C 13 38.709 0.3 . 1 . . . . 61 ASN CB . 17210 1 263 . 1 1 61 61 ASN N N 15 120.401 0.3 . 1 . . . . 61 ASN N . 17210 1 264 . 1 1 62 62 PRO C C 13 179.064 0.3 . 1 . . . . 62 PRO C . 17210 1 265 . 1 1 62 62 PRO CA C 13 65.884 0.3 . 1 . . . . 62 PRO CA . 17210 1 266 . 1 1 62 62 PRO CB C 13 31.787 0.3 . 1 . . . . 62 PRO CB . 17210 1 267 . 1 1 63 63 GLN H H 1 8.577 0.03 . 1 . . . . 63 GLN H . 17210 1 268 . 1 1 63 63 GLN C C 13 176.001 0.3 . 1 . . . . 63 GLN C . 17210 1 269 . 1 1 63 63 GLN CA C 13 58.789 0.3 . 1 . . . . 63 GLN CA . 17210 1 270 . 1 1 63 63 GLN CB C 13 28.88 0.3 . 1 . . . . 63 GLN CB . 17210 1 271 . 1 1 63 63 GLN N N 15 114.909 0.3 . 1 . . . . 63 GLN N . 17210 1 272 . 1 1 64 64 ASN H H 1 6.595 0.03 . 1 . . . . 64 ASN H . 17210 1 273 . 1 1 64 64 ASN C C 13 173.448 0.3 . 1 . . . . 64 ASN C . 17210 1 274 . 1 1 64 64 ASN CA C 13 52.249 0.3 . 1 . . . . 64 ASN CA . 17210 1 275 . 1 1 64 64 ASN CB C 13 40.509 0.3 . 1 . . . . 64 ASN CB . 17210 1 276 . 1 1 64 64 ASN N N 15 112.699 0.3 . 1 . . . . 64 ASN N . 17210 1 277 . 1 1 65 65 THR H H 1 6.927 0.03 . 1 . . . . 65 THR H . 17210 1 278 . 1 1 65 65 THR C C 13 172.207 0.3 . 1 . . . . 65 THR C . 17210 1 279 . 1 1 65 65 THR CA C 13 63.829 0.3 . 1 . . . . 65 THR CA . 17210 1 280 . 1 1 65 65 THR CB C 13 68.584 0.3 . 1 . . . . 65 THR CB . 17210 1 281 . 1 1 65 65 THR N N 15 117.144 0.3 . 1 . . . . 65 THR N . 17210 1 282 . 1 1 66 66 LEU H H 1 9.662 0.03 . 1 . . . . 66 LEU H . 17210 1 283 . 1 1 66 66 LEU C C 13 174.03 0.3 . 1 . . . . 66 LEU C . 17210 1 284 . 1 1 66 66 LEU CA C 13 53.819 0.3 . 1 . . . . 66 LEU CA . 17210 1 285 . 1 1 66 66 LEU CB C 13 42.359 0.3 . 1 . . . . 66 LEU CB . 17210 1 286 . 1 1 66 66 LEU N N 15 128.08 0.3 . 1 . . . . 66 LEU N . 17210 1 287 . 1 1 67 67 PHE H H 1 6.34 0.03 . 1 . . . . 67 PHE H . 17210 1 288 . 1 1 67 67 PHE C C 13 171.522 0.3 . 1 . . . . 67 PHE C . 17210 1 289 . 1 1 67 67 PHE CA C 13 54.549 0.3 . 1 . . . . 67 PHE CA . 17210 1 290 . 1 1 67 67 PHE CB C 13 40.197 0.3 . 1 . . . . 67 PHE CB . 17210 1 291 . 1 1 67 67 PHE N N 15 115.749 0.3 . 1 . . . . 67 PHE N . 17210 1 292 . 1 1 68 68 ALA H H 1 9.113 0.03 . 1 . . . . 68 ALA H . 17210 1 293 . 1 1 68 68 ALA C C 13 177.343 0.3 . 1 . . . . 68 ALA C . 17210 1 294 . 1 1 68 68 ALA CA C 13 54.079 0.3 . 1 . . . . 68 ALA CA . 17210 1 295 . 1 1 68 68 ALA CB C 13 16.887 0.3 . 1 . . . . 68 ALA CB . 17210 1 296 . 1 1 68 68 ALA N N 15 115.128 0.3 . 1 . . . . 68 ALA N . 17210 1 297 . 1 1 69 69 ILE H H 1 7.742 0.03 . 1 . . . . 69 ILE H . 17210 1 298 . 1 1 69 69 ILE C C 13 177.899 0.3 . 1 . . . . 69 ILE C . 17210 1 299 . 1 1 69 69 ILE CA C 13 60.869 0.3 . 1 . . . . 69 ILE CA . 17210 1 300 . 1 1 69 69 ILE CB C 13 35.179 0.3 . 1 . . . . 69 ILE CB . 17210 1 301 . 1 1 69 69 ILE N N 15 118.629 0.3 . 1 . . . . 69 ILE N . 17210 1 302 . 1 1 70 70 LYS H H 1 8.064 0.03 . 1 . . . . 70 LYS H . 17210 1 303 . 1 1 70 70 LYS C C 13 176.939 0.3 . 1 . . . . 70 LYS C . 17210 1 304 . 1 1 70 70 LYS CA C 13 59.203 0.3 . 1 . . . . 70 LYS CA . 17210 1 305 . 1 1 70 70 LYS CB C 13 34.985 0.3 . 1 . . . . 70 LYS CB . 17210 1 306 . 1 1 70 70 LYS N N 15 122.69 0.3 . 1 . . . . 70 LYS N . 17210 1 307 . 1 1 71 71 ARG H H 1 7.711 0.03 . 1 . . . . 71 ARG H . 17210 1 308 . 1 1 71 71 ARG C C 13 175.933 0.3 . 1 . . . . 71 ARG C . 17210 1 309 . 1 1 71 71 ARG CA C 13 58.107 0.3 . 1 . . . . 71 ARG CA . 17210 1 310 . 1 1 71 71 ARG CB C 13 30.938 0.3 . 1 . . . . 71 ARG CB . 17210 1 311 . 1 1 71 71 ARG N N 15 114.925 0.3 . 1 . . . . 71 ARG N . 17210 1 312 . 1 1 72 72 LEU H H 1 7.746 0.03 . 1 . . . . 72 LEU H . 17210 1 313 . 1 1 72 72 LEU C C 13 177.168 0.3 . 1 . . . . 72 LEU C . 17210 1 314 . 1 1 72 72 LEU CA C 13 54.619 0.3 . 1 . . . . 72 LEU CA . 17210 1 315 . 1 1 72 72 LEU CB C 13 44.659 0.3 . 1 . . . . 72 LEU CB . 17210 1 316 . 1 1 72 72 LEU N N 15 115.069 0.3 . 1 . . . . 72 LEU N . 17210 1 317 . 1 1 73 73 ILE H H 1 7.067 0.03 . 1 . . . . 73 ILE H . 17210 1 318 . 1 1 73 73 ILE C C 13 175.448 0.3 . 1 . . . . 73 ILE C . 17210 1 319 . 1 1 73 73 ILE CA C 13 63.144 0.3 . 1 . . . . 73 ILE CA . 17210 1 320 . 1 1 73 73 ILE CB C 13 39.686 0.3 . 1 . . . . 73 ILE CB . 17210 1 321 . 1 1 73 73 ILE N N 15 119.267 0.3 . 1 . . . . 73 ILE N . 17210 1 322 . 1 1 74 74 GLY H H 1 9.929 0.03 . 1 . . . . 74 GLY H . 17210 1 323 . 1 1 74 74 GLY C C 13 173.724 0.3 . 1 . . . . 74 GLY C . 17210 1 324 . 1 1 74 74 GLY CA C 13 46.189 0.3 . 1 . . . . 74 GLY CA . 17210 1 325 . 1 1 74 74 GLY N N 15 115.053 0.3 . 1 . . . . 74 GLY N . 17210 1 326 . 1 1 75 75 ARG H H 1 7.988 0.03 . 1 . . . . 75 ARG H . 17210 1 327 . 1 1 75 75 ARG C C 13 176.978 0.3 . 1 . . . . 75 ARG C . 17210 1 328 . 1 1 75 75 ARG CA C 13 55.959 0.3 . 1 . . . . 75 ARG CA . 17210 1 329 . 1 1 75 75 ARG CB C 13 32.609 0.3 . 1 . . . . 75 ARG CB . 17210 1 330 . 1 1 75 75 ARG N N 15 118.153 0.3 . 1 . . . . 75 ARG N . 17210 1 331 . 1 1 76 76 ARG H H 1 8.766 0.03 . 1 . . . . 76 ARG H . 17210 1 332 . 1 1 76 76 ARG C C 13 176.76 0.3 . 1 . . . . 76 ARG C . 17210 1 333 . 1 1 76 76 ARG CA C 13 54.759 0.3 . 1 . . . . 76 ARG CA . 17210 1 334 . 1 1 76 76 ARG CB C 13 30.209 0.3 . 1 . . . . 76 ARG CB . 17210 1 335 . 1 1 76 76 ARG N N 15 121.432 0.3 . 1 . . . . 76 ARG N . 17210 1 336 . 1 1 77 77 PHE H H 1 8.765 0.03 . 1 . . . . 77 PHE H . 17210 1 337 . 1 1 77 77 PHE C C 13 175.437 0.3 . 1 . . . . 77 PHE C . 17210 1 338 . 1 1 77 77 PHE CA C 13 61.849 0.3 . 1 . . . . 77 PHE CA . 17210 1 339 . 1 1 77 77 PHE CB C 13 39.209 0.3 . 1 . . . . 77 PHE CB . 17210 1 340 . 1 1 77 77 PHE N N 15 123.047 0.3 . 1 . . . . 77 PHE N . 17210 1 341 . 1 1 78 78 GLN H H 1 8.197 0.03 . 1 . . . . 78 GLN H . 17210 1 342 . 1 1 78 78 GLN C C 13 175.563 0.3 . 1 . . . . 78 GLN C . 17210 1 343 . 1 1 78 78 GLN CA C 13 55.889 0.3 . 1 . . . . 78 GLN CA . 17210 1 344 . 1 1 78 78 GLN CB C 13 28.269 0.3 . 1 . . . . 78 GLN CB . 17210 1 345 . 1 1 78 78 GLN N N 15 111.787 0.3 . 1 . . . . 78 GLN N . 17210 1 346 . 1 1 79 79 ASP H H 1 7.305 0.03 . 1 . . . . 79 ASP H . 17210 1 347 . 1 1 79 79 ASP C C 13 177.55 0.3 . 1 . . . . 79 ASP C . 17210 1 348 . 1 1 79 79 ASP CA C 13 54.849 0.3 . 1 . . . . 79 ASP CA . 17210 1 349 . 1 1 79 79 ASP CB C 13 41.909 0.3 . 1 . . . . 79 ASP CB . 17210 1 350 . 1 1 79 79 ASP N N 15 123.451 0.3 . 1 . . . . 79 ASP N . 17210 1 351 . 1 1 80 80 GLU H H 1 9.097 0.03 . 1 . . . . 80 GLU H . 17210 1 352 . 1 1 80 80 GLU C C 13 178.978 0.3 . 1 . . . . 80 GLU C . 17210 1 353 . 1 1 80 80 GLU CA C 13 60.589 0.3 . 1 . . . . 80 GLU CA . 17210 1 354 . 1 1 80 80 GLU CB C 13 29.669 0.3 . 1 . . . . 80 GLU CB . 17210 1 355 . 1 1 80 80 GLU N N 15 127.634 0.3 . 1 . . . . 80 GLU N . 17210 1 356 . 1 1 81 81 GLU H H 1 9.266 0.03 . 1 . . . . 81 GLU H . 17210 1 357 . 1 1 81 81 GLU C C 13 178.587 0.3 . 1 . . . . 81 GLU C . 17210 1 358 . 1 1 81 81 GLU CA C 13 59.189 0.3 . 1 . . . . 81 GLU CA . 17210 1 359 . 1 1 81 81 GLU CB C 13 29.053 0.3 . 1 . . . . 81 GLU CB . 17210 1 360 . 1 1 81 81 GLU N N 15 118.827 0.3 . 1 . . . . 81 GLU N . 17210 1 361 . 1 1 82 82 VAL H H 1 6.822 0.03 . 1 . . . . 82 VAL H . 17210 1 362 . 1 1 82 82 VAL C C 13 178.147 0.3 . 1 . . . . 82 VAL C . 17210 1 363 . 1 1 82 82 VAL CA C 13 65.979 0.3 . 1 . . . . 82 VAL CA . 17210 1 364 . 1 1 82 82 VAL CB C 13 31.862 0.3 . 1 . . . . 82 VAL CB . 17210 1 365 . 1 1 82 82 VAL N N 15 119.481 0.3 . 1 . . . . 82 VAL N . 17210 1 366 . 1 1 83 83 GLN H H 1 8.068 0.03 . 1 . . . . 83 GLN H . 17210 1 367 . 1 1 83 83 GLN C C 13 178.628 0.3 . 1 . . . . 83 GLN C . 17210 1 368 . 1 1 83 83 GLN CA C 13 58.103 0.3 . 1 . . . . 83 GLN CA . 17210 1 369 . 1 1 83 83 GLN CB C 13 28.469 0.3 . 1 . . . . 83 GLN CB . 17210 1 370 . 1 1 83 83 GLN N N 15 116.574 0.3 . 1 . . . . 83 GLN N . 17210 1 371 . 1 1 84 84 ARG H H 1 7.504 0.03 . 1 . . . . 84 ARG H . 17210 1 372 . 1 1 84 84 ARG C C 13 178.225 0.3 . 1 . . . . 84 ARG C . 17210 1 373 . 1 1 84 84 ARG CA C 13 58.959 0.3 . 1 . . . . 84 ARG CA . 17210 1 374 . 1 1 84 84 ARG CB C 13 30.009 0.3 . 1 . . . . 84 ARG CB . 17210 1 375 . 1 1 84 84 ARG N N 15 119.882 0.3 . 1 . . . . 84 ARG N . 17210 1 376 . 1 1 85 85 ASP H H 1 7.371 0.03 . 1 . . . . 85 ASP H . 17210 1 377 . 1 1 85 85 ASP C C 13 178.561 0.3 . 1 . . . . 85 ASP C . 17210 1 378 . 1 1 85 85 ASP CA C 13 57.102 0.3 . 1 . . . . 85 ASP CA . 17210 1 379 . 1 1 85 85 ASP CB C 13 39.885 0.3 . 1 . . . . 85 ASP CB . 17210 1 380 . 1 1 85 85 ASP N N 15 121.555 0.3 . 1 . . . . 85 ASP N . 17210 1 381 . 1 1 86 86 VAL H H 1 8.314 0.03 . 1 . . . . 86 VAL H . 17210 1 382 . 1 1 86 86 VAL C C 13 178.038 0.3 . 1 . . . . 86 VAL C . 17210 1 383 . 1 1 86 86 VAL CA C 13 66.539 0.3 . 1 . . . . 86 VAL CA . 17210 1 384 . 1 1 86 86 VAL CB C 13 32.199 0.3 . 1 . . . . 86 VAL CB . 17210 1 385 . 1 1 86 86 VAL N N 15 121.897 0.3 . 1 . . . . 86 VAL N . 17210 1 386 . 1 1 87 87 SER H H 1 7.274 0.03 . 1 . . . . 87 SER H . 17210 1 387 . 1 1 87 87 SER C C 13 174.751 0.3 . 1 . . . . 87 SER C . 17210 1 388 . 1 1 87 87 SER CA C 13 60.449 0.3 . 1 . . . . 87 SER CA . 17210 1 389 . 1 1 87 87 SER CB C 13 64.111 0.3 . 1 . . . . 87 SER CB . 17210 1 390 . 1 1 87 87 SER N N 15 111.018 0.3 . 1 . . . . 87 SER N . 17210 1 391 . 1 1 88 88 ILE H H 1 7.287 0.03 . 1 . . . . 88 ILE H . 17210 1 392 . 1 1 88 88 ILE C C 13 176.793 0.3 . 1 . . . . 88 ILE C . 17210 1 393 . 1 1 88 88 ILE CA C 13 62.069 0.3 . 1 . . . . 88 ILE CA . 17210 1 394 . 1 1 88 88 ILE CB C 13 40.479 0.3 . 1 . . . . 88 ILE CB . 17210 1 395 . 1 1 88 88 ILE N N 15 116.163 0.3 . 1 . . . . 88 ILE N . 17210 1 396 . 1 1 89 89 MET H H 1 7.775 0.03 . 1 . . . . 89 MET H . 17210 1 397 . 1 1 89 89 MET CA C 13 53.018 0.3 . 1 . . . . 89 MET CA . 17210 1 398 . 1 1 89 89 MET CB C 13 30.713 0.3 . 1 . . . . 89 MET CB . 17210 1 399 . 1 1 89 89 MET N N 15 122.108 0.3 . 1 . . . . 89 MET N . 17210 1 400 . 1 1 90 90 PRO C C 13 176.298 0.3 . 1 . . . . 90 PRO C . 17210 1 401 . 1 1 91 91 PHE H H 1 5.957 0.03 . 1 . . . . 91 PHE H . 17210 1 402 . 1 1 91 91 PHE C C 13 173.446 0.3 . 1 . . . . 91 PHE C . 17210 1 403 . 1 1 91 91 PHE CA C 13 53.149 0.3 . 1 . . . . 91 PHE CA . 17210 1 404 . 1 1 91 91 PHE CB C 13 40.846 0.3 . 1 . . . . 91 PHE CB . 17210 1 405 . 1 1 91 91 PHE N N 15 115.234 0.3 . 1 . . . . 91 PHE N . 17210 1 406 . 1 1 92 92 LYS H H 1 8.949 0.03 . 1 . . . . 92 LYS H . 17210 1 407 . 1 1 92 92 LYS C C 13 174.658 0.3 . 1 . . . . 92 LYS C . 17210 1 408 . 1 1 92 92 LYS CA C 13 56.934 0.3 . 1 . . . . 92 LYS CA . 17210 1 409 . 1 1 92 92 LYS CB C 13 33.609 0.3 . 1 . . . . 92 LYS CB . 17210 1 410 . 1 1 92 92 LYS N N 15 122.159 0.3 . 1 . . . . 92 LYS N . 17210 1 411 . 1 1 93 93 ILE H H 1 7.858 0.03 . 1 . . . . 93 ILE H . 17210 1 412 . 1 1 93 93 ILE C C 13 175.592 0.3 . 1 . . . . 93 ILE C . 17210 1 413 . 1 1 93 93 ILE CA C 13 61.669 0.3 . 1 . . . . 93 ILE CA . 17210 1 414 . 1 1 93 93 ILE CB C 13 39.479 0.3 . 1 . . . . 93 ILE CB . 17210 1 415 . 1 1 93 93 ILE N N 15 129.106 0.3 . 1 . . . . 93 ILE N . 17210 1 416 . 1 1 94 94 ILE H H 1 8.671 0.03 . 1 . . . . 94 ILE H . 17210 1 417 . 1 1 94 94 ILE C C 13 173.491 0.3 . 1 . . . . 94 ILE C . 17210 1 418 . 1 1 94 94 ILE CA C 13 59.369 0.3 . 1 . . . . 94 ILE CA . 17210 1 419 . 1 1 94 94 ILE CB C 13 43.179 0.3 . 1 . . . . 94 ILE CB . 17210 1 420 . 1 1 94 94 ILE N N 15 121.109 0.3 . 1 . . . . 94 ILE N . 17210 1 421 . 1 1 95 95 ALA H H 1 7.503 0.03 . 1 . . . . 95 ALA H . 17210 1 422 . 1 1 95 95 ALA C C 13 177.869 0.3 . 1 . . . . 95 ALA C . 17210 1 423 . 1 1 95 95 ALA CA C 13 50.679 0.3 . 1 . . . . 95 ALA CA . 17210 1 424 . 1 1 95 95 ALA CB C 13 18.399 0.3 . 1 . . . . 95 ALA CB . 17210 1 425 . 1 1 95 95 ALA N N 15 123.201 0.3 . 1 . . . . 95 ALA N . 17210 1 426 . 1 1 96 96 ALA H H 1 8.595 0.03 . 1 . . . . 96 ALA H . 17210 1 427 . 1 1 96 96 ALA CA C 13 50.679 0.3 . 1 . . . . 96 ALA CA . 17210 1 428 . 1 1 96 96 ALA CB C 13 17.173 0.3 . 1 . . . . 96 ALA CB . 17210 1 429 . 1 1 96 96 ALA N N 15 126.171 0.3 . 1 . . . . 96 ALA N . 17210 1 430 . 1 1 97 97 ASP C C 13 176.583 0.3 . 1 . . . . 97 ASP C . 17210 1 431 . 1 1 98 98 ASN H H 1 7.322 0.03 . 1 . . . . 98 ASN H . 17210 1 432 . 1 1 98 98 ASN C C 13 177.11 0.3 . 1 . . . . 98 ASN C . 17210 1 433 . 1 1 98 98 ASN CA C 13 52.449 0.3 . 1 . . . . 98 ASN CA . 17210 1 434 . 1 1 98 98 ASN CB C 13 37.809 0.3 . 1 . . . . 98 ASN CB . 17210 1 435 . 1 1 98 98 ASN N N 15 114.448 0.3 . 1 . . . . 98 ASN N . 17210 1 436 . 1 1 99 99 GLY H H 1 7.814 0.03 . 1 . . . . 99 GLY H . 17210 1 437 . 1 1 99 99 GLY C C 13 175.111 0.3 . 1 . . . . 99 GLY C . 17210 1 438 . 1 1 99 99 GLY CA C 13 44.789 0.3 . 1 . . . . 99 GLY CA . 17210 1 439 . 1 1 99 99 GLY N N 15 108.402 0.3 . 1 . . . . 99 GLY N . 17210 1 440 . 1 1 100 100 ASP H H 1 7.99 0.03 . 1 . . . . 100 ASP H . 17210 1 441 . 1 1 100 100 ASP C C 13 174.25 0.3 . 1 . . . . 100 ASP C . 17210 1 442 . 1 1 100 100 ASP CA C 13 55.749 0.3 . 1 . . . . 100 ASP CA . 17210 1 443 . 1 1 100 100 ASP CB C 13 40.509 0.3 . 1 . . . . 100 ASP CB . 17210 1 444 . 1 1 100 100 ASP N N 15 124.434 0.3 . 1 . . . . 100 ASP N . 17210 1 445 . 1 1 101 101 ALA H H 1 8.363 0.03 . 1 . . . . 101 ALA H . 17210 1 446 . 1 1 101 101 ALA C C 13 174.717 0.3 . 1 . . . . 101 ALA C . 17210 1 447 . 1 1 101 101 ALA CA C 13 52.879 0.3 . 1 . . . . 101 ALA CA . 17210 1 448 . 1 1 101 101 ALA CB C 13 19.799 0.3 . 1 . . . . 101 ALA CB . 17210 1 449 . 1 1 101 101 ALA N N 15 121.94 0.3 . 1 . . . . 101 ALA N . 17210 1 450 . 1 1 102 102 TRP H H 1 9.597 0.03 . 1 . . . . 102 TRP H . 17210 1 451 . 1 1 102 102 TRP C C 13 174.585 0.3 . 1 . . . . 102 TRP C . 17210 1 452 . 1 1 102 102 TRP CA C 13 55.249 0.3 . 1 . . . . 102 TRP CA . 17210 1 453 . 1 1 102 102 TRP CB C 13 33.709 0.3 . 1 . . . . 102 TRP CB . 17210 1 454 . 1 1 102 102 TRP N N 15 129.817 0.3 . 1 . . . . 102 TRP N . 17210 1 455 . 1 1 103 103 VAL H H 1 8.854 0.03 . 1 . . . . 103 VAL H . 17210 1 456 . 1 1 103 103 VAL C C 13 174.367 0.3 . 1 . . . . 103 VAL C . 17210 1 457 . 1 1 103 103 VAL CA C 13 60.239 0.3 . 1 . . . . 103 VAL CA . 17210 1 458 . 1 1 103 103 VAL CB C 13 35.699 0.3 . 1 . . . . 103 VAL CB . 17210 1 459 . 1 1 103 103 VAL N N 15 115.244 0.3 . 1 . . . . 103 VAL N . 17210 1 460 . 1 1 104 104 GLU H H 1 8.494 0.03 . 1 . . . . 104 GLU H . 17210 1 461 . 1 1 104 104 GLU C C 13 174.856 0.3 . 1 . . . . 104 GLU C . 17210 1 462 . 1 1 104 104 GLU CA C 13 54.989 0.3 . 1 . . . . 104 GLU CA . 17210 1 463 . 1 1 104 104 GLU CB C 13 33.369 0.3 . 1 . . . . 104 GLU CB . 17210 1 464 . 1 1 104 104 GLU N N 15 125.677 0.3 . 1 . . . . 104 GLU N . 17210 1 465 . 1 1 105 105 VAL H H 1 8.621 0.03 . 1 . . . . 105 VAL H . 17210 1 466 . 1 1 105 105 VAL C C 13 175.528 0.3 . 1 . . . . 105 VAL C . 17210 1 467 . 1 1 105 105 VAL CA C 13 61.23 0.3 . 1 . . . . 105 VAL CA . 17210 1 468 . 1 1 105 105 VAL CB C 13 35.299 0.3 . 1 . . . . 105 VAL CB . 17210 1 469 . 1 1 105 105 VAL N N 15 126.482 0.3 . 1 . . . . 105 VAL N . 17210 1 470 . 1 1 106 106 LYS H H 1 9.296 0.03 . 1 . . . . 106 LYS H . 17210 1 471 . 1 1 106 106 LYS C C 13 176.643 0.3 . 1 . . . . 106 LYS C . 17210 1 472 . 1 1 106 106 LYS CA C 13 57.259 0.3 . 1 . . . . 106 LYS CA . 17210 1 473 . 1 1 106 106 LYS CB C 13 30.049 0.3 . 1 . . . . 106 LYS CB . 17210 1 474 . 1 1 106 106 LYS N N 15 128.042 0.3 . 1 . . . . 106 LYS N . 17210 1 475 . 1 1 107 107 GLY H H 1 8.613 0.03 . 1 . . . . 107 GLY H . 17210 1 476 . 1 1 107 107 GLY C C 13 173.491 0.3 . 1 . . . . 107 GLY C . 17210 1 477 . 1 1 107 107 GLY CA C 13 45.389 0.3 . 1 . . . . 107 GLY CA . 17210 1 478 . 1 1 107 107 GLY N N 15 104.879 0.3 . 1 . . . . 107 GLY N . 17210 1 479 . 1 1 108 108 GLN H H 1 8.05 0.03 . 1 . . . . 108 GLN H . 17210 1 480 . 1 1 108 108 GLN C C 13 174.46 0.3 . 1 . . . . 108 GLN C . 17210 1 481 . 1 1 108 108 GLN CA C 13 53.964 0.3 . 1 . . . . 108 GLN CA . 17210 1 482 . 1 1 108 108 GLN CB C 13 30.369 0.3 . 1 . . . . 108 GLN CB . 17210 1 483 . 1 1 108 108 GLN N N 15 121.713 0.3 . 1 . . . . 108 GLN N . 17210 1 484 . 1 1 109 109 LYS H H 1 8.603 0.03 . 1 . . . . 109 LYS H . 17210 1 485 . 1 1 109 109 LYS C C 13 176.083 0.3 . 1 . . . . 109 LYS C . 17210 1 486 . 1 1 109 109 LYS CA C 13 56.759 0.3 . 1 . . . . 109 LYS CA . 17210 1 487 . 1 1 109 109 LYS CB C 13 33.209 0.3 . 1 . . . . 109 LYS CB . 17210 1 488 . 1 1 109 109 LYS N N 15 125.097 0.3 . 1 . . . . 109 LYS N . 17210 1 489 . 1 1 110 110 MET H H 1 9.381 0.03 . 1 . . . . 110 MET H . 17210 1 490 . 1 1 110 110 MET C C 13 172.44 0.3 . 1 . . . . 110 MET C . 17210 1 491 . 1 1 110 110 MET CA C 13 54.889 0.3 . 1 . . . . 110 MET CA . 17210 1 492 . 1 1 110 110 MET CB C 13 36.869 0.3 . 1 . . . . 110 MET CB . 17210 1 493 . 1 1 110 110 MET N N 15 123.789 0.3 . 1 . . . . 110 MET N . 17210 1 494 . 1 1 111 111 ALA H H 1 7.549 0.03 . 1 . . . . 111 ALA H . 17210 1 495 . 1 1 111 111 ALA C C 13 177.299 0.3 . 1 . . . . 111 ALA C . 17210 1 496 . 1 1 111 111 ALA CA C 13 48.779 0.3 . 1 . . . . 111 ALA CA . 17210 1 497 . 1 1 111 111 ALA CB C 13 19.399 0.3 . 1 . . . . 111 ALA CB . 17210 1 498 . 1 1 111 111 ALA N N 15 126.114 0.3 . 1 . . . . 111 ALA N . 17210 1 499 . 1 1 113 113 PRO C C 13 177.725 0.3 . 1 . . . . 113 PRO C . 17210 1 500 . 1 1 113 113 PRO CA C 13 66.642 0.3 . 1 . . . . 113 PRO CA . 17210 1 501 . 1 1 113 113 PRO CB C 13 31.163 0.3 . 1 . . . . 113 PRO CB . 17210 1 502 . 1 1 114 114 GLN H H 1 7.359 0.03 . 1 . . . . 114 GLN H . 17210 1 503 . 1 1 114 114 GLN C C 13 176.893 0.3 . 1 . . . . 114 GLN C . 17210 1 504 . 1 1 114 114 GLN CA C 13 59.034 0.3 . 1 . . . . 114 GLN CA . 17210 1 505 . 1 1 114 114 GLN CB C 13 29.299 0.3 . 1 . . . . 114 GLN CB . 17210 1 506 . 1 1 114 114 GLN N N 15 113.894 0.3 . 1 . . . . 114 GLN N . 17210 1 507 . 1 1 115 115 ILE H H 1 7.272 0.03 . 1 . . . . 115 ILE H . 17210 1 508 . 1 1 115 115 ILE CA C 13 63.315 0.3 . 1 . . . . 115 ILE CA . 17210 1 509 . 1 1 115 115 ILE CB C 13 38.003 0.3 . 1 . . . . 115 ILE CB . 17210 1 510 . 1 1 115 115 ILE N N 15 119.41 0.3 . 1 . . . . 115 ILE N . 17210 1 511 . 1 1 116 116 SER C C 13 176.579 0.3 . 1 . . . . 116 SER C . 17210 1 512 . 1 1 116 116 SER CA C 13 62.474 0.3 . 1 . . . . 116 SER CA . 17210 1 513 . 1 1 117 117 ALA H H 1 8.135 0.03 . 1 . . . . 117 ALA H . 17210 1 514 . 1 1 117 117 ALA C C 13 179.316 0.3 . 1 . . . . 117 ALA C . 17210 1 515 . 1 1 117 117 ALA CA C 13 55.304 0.3 . 1 . . . . 117 ALA CA . 17210 1 516 . 1 1 117 117 ALA CB C 13 19.7 0.3 . 1 . . . . 117 ALA CB . 17210 1 517 . 1 1 117 117 ALA N N 15 122.328 0.3 . 1 . . . . 117 ALA N . 17210 1 518 . 1 1 118 118 GLU H H 1 7.596 0.03 . 1 . . . . 118 GLU H . 17210 1 519 . 1 1 118 118 GLU C C 13 180.551 0.3 . 1 . . . . 118 GLU C . 17210 1 520 . 1 1 118 118 GLU CA C 13 58.81 0.3 . 1 . . . . 118 GLU CA . 17210 1 521 . 1 1 118 118 GLU CB C 13 28.4 0.3 . 1 . . . . 118 GLU CB . 17210 1 522 . 1 1 118 118 GLU N N 15 115.833 0.3 . 1 . . . . 118 GLU N . 17210 1 523 . 1 1 119 119 VAL H H 1 6.951 0.03 . 1 . . . . 119 VAL H . 17210 1 524 . 1 1 119 119 VAL C C 13 178.587 0.3 . 1 . . . . 119 VAL C . 17210 1 525 . 1 1 119 119 VAL CA C 13 66.191 0.3 . 1 . . . . 119 VAL CA . 17210 1 526 . 1 1 119 119 VAL CB C 13 31.778 0.3 . 1 . . . . 119 VAL CB . 17210 1 527 . 1 1 119 119 VAL N N 15 119.657 0.3 . 1 . . . . 119 VAL N . 17210 1 528 . 1 1 120 120 LEU H H 1 7.533 0.03 . 1 . . . . 120 LEU H . 17210 1 529 . 1 1 120 120 LEU C C 13 178.589 0.3 . 1 . . . . 120 LEU C . 17210 1 530 . 1 1 120 120 LEU CA C 13 58.233 0.3 . 1 . . . . 120 LEU CA . 17210 1 531 . 1 1 120 120 LEU CB C 13 41.43 0.3 . 1 . . . . 120 LEU CB . 17210 1 532 . 1 1 120 120 LEU N N 15 119.03 0.3 . 1 . . . . 120 LEU N . 17210 1 533 . 1 1 121 121 LYS H H 1 8.94 0.03 . 1 . . . . 121 LYS H . 17210 1 534 . 1 1 121 121 LYS C C 13 179.065 0.3 . 1 . . . . 121 LYS C . 17210 1 535 . 1 1 121 121 LYS CA C 13 60.706 0.3 . 1 . . . . 121 LYS CA . 17210 1 536 . 1 1 121 121 LYS CB C 13 33.037 0.3 . 1 . . . . 121 LYS CB . 17210 1 537 . 1 1 121 121 LYS N N 15 120.706 0.3 . 1 . . . . 121 LYS N . 17210 1 538 . 1 1 122 122 LYS H H 1 7.169 0.03 . 1 . . . . 122 LYS H . 17210 1 539 . 1 1 122 122 LYS C C 13 179.661 0.3 . 1 . . . . 122 LYS C . 17210 1 540 . 1 1 122 122 LYS CA C 13 58.958 0.3 . 1 . . . . 122 LYS CA . 17210 1 541 . 1 1 122 122 LYS CB C 13 31.912 0.3 . 1 . . . . 122 LYS CB . 17210 1 542 . 1 1 122 122 LYS N N 15 121.236 0.3 . 1 . . . . 122 LYS N . 17210 1 543 . 1 1 123 123 MET H H 1 8.101 0.03 . 1 . . . . 123 MET H . 17210 1 544 . 1 1 123 123 MET C C 13 177.057 0.3 . 1 . . . . 123 MET C . 17210 1 545 . 1 1 123 123 MET CA C 13 57.906 0.3 . 1 . . . . 123 MET CA . 17210 1 546 . 1 1 123 123 MET CB C 13 32.509 0.3 . 1 . . . . 123 MET CB . 17210 1 547 . 1 1 123 123 MET N N 15 122.246 0.3 . 1 . . . . 123 MET N . 17210 1 548 . 1 1 124 124 LYS H H 1 8.363 0.03 . 1 . . . . 124 LYS H . 17210 1 549 . 1 1 124 124 LYS C C 13 177.227 0.3 . 1 . . . . 124 LYS C . 17210 1 550 . 1 1 124 124 LYS CA C 13 60.259 0.3 . 1 . . . . 124 LYS CA . 17210 1 551 . 1 1 124 124 LYS CB C 13 34.909 0.3 . 1 . . . . 124 LYS CB . 17210 1 552 . 1 1 124 124 LYS N N 15 121.328 0.3 . 1 . . . . 124 LYS N . 17210 1 553 . 1 1 125 125 LYS H H 1 8.157 0.03 . 1 . . . . 125 LYS H . 17210 1 554 . 1 1 125 125 LYS C C 13 177.768 0.3 . 1 . . . . 125 LYS C . 17210 1 555 . 1 1 125 125 LYS CA C 13 58.759 0.3 . 1 . . . . 125 LYS CA . 17210 1 556 . 1 1 125 125 LYS CB C 13 32.62 0.3 . 1 . . . . 125 LYS CB . 17210 1 557 . 1 1 125 125 LYS N N 15 120.063 0.3 . 1 . . . . 125 LYS N . 17210 1 558 . 1 1 126 126 THR H H 1 7.961 0.03 . 1 . . . . 126 THR H . 17210 1 559 . 1 1 126 126 THR C C 13 176.701 0.3 . 1 . . . . 126 THR C . 17210 1 560 . 1 1 126 126 THR CA C 13 67.129 0.3 . 1 . . . . 126 THR CA . 17210 1 561 . 1 1 126 126 THR CB C 13 69.284 0.3 . 1 . . . . 126 THR CB . 17210 1 562 . 1 1 126 126 THR N N 15 116.309 0.3 . 1 . . . . 126 THR N . 17210 1 563 . 1 1 127 127 ALA H H 1 7.557 0.03 . 1 . . . . 127 ALA H . 17210 1 564 . 1 1 127 127 ALA C C 13 178.537 0.3 . 1 . . . . 127 ALA C . 17210 1 565 . 1 1 127 127 ALA CA C 13 55.479 0.3 . 1 . . . . 127 ALA CA . 17210 1 566 . 1 1 127 127 ALA CB C 13 19.199 0.3 . 1 . . . . 127 ALA CB . 17210 1 567 . 1 1 127 127 ALA N N 15 122.984 0.3 . 1 . . . . 127 ALA N . 17210 1 568 . 1 1 128 128 GLU H H 1 8.639 0.03 . 1 . . . . 128 GLU H . 17210 1 569 . 1 1 128 128 GLU C C 13 180.787 0.3 . 1 . . . . 128 GLU C . 17210 1 570 . 1 1 128 128 GLU CA C 13 60.089 0.3 . 1 . . . . 128 GLU CA . 17210 1 571 . 1 1 128 128 GLU CB C 13 29.569 0.3 . 1 . . . . 128 GLU CB . 17210 1 572 . 1 1 128 128 GLU N N 15 120.893 0.3 . 1 . . . . 128 GLU N . 17210 1 573 . 1 1 129 129 ASP H H 1 8.981 0.03 . 1 . . . . 129 ASP H . 17210 1 574 . 1 1 129 129 ASP C C 13 178.044 0.3 . 1 . . . . 129 ASP C . 17210 1 575 . 1 1 129 129 ASP CA C 13 57.149 0.3 . 1 . . . . 129 ASP CA . 17210 1 576 . 1 1 129 129 ASP CB C 13 39.909 0.3 . 1 . . . . 129 ASP CB . 17210 1 577 . 1 1 129 129 ASP N N 15 122.019 0.3 . 1 . . . . 129 ASP N . 17210 1 578 . 1 1 130 130 TYR H H 1 7.292 0.03 . 1 . . . . 130 TYR H . 17210 1 579 . 1 1 130 130 TYR C C 13 177.518 0.3 . 1 . . . . 130 TYR C . 17210 1 580 . 1 1 130 130 TYR CA C 13 61.349 0.3 . 1 . . . . 130 TYR CA . 17210 1 581 . 1 1 130 130 TYR CB C 13 39.509 0.3 . 1 . . . . 130 TYR CB . 17210 1 582 . 1 1 130 130 TYR N N 15 120.231 0.3 . 1 . . . . 130 TYR N . 17210 1 583 . 1 1 131 131 LEU H H 1 8.669 0.03 . 1 . . . . 131 LEU H . 17210 1 584 . 1 1 131 131 LEU C C 13 178.861 0.3 . 1 . . . . 131 LEU C . 17210 1 585 . 1 1 131 131 LEU CA C 13 56.219 0.3 . 1 . . . . 131 LEU CA . 17210 1 586 . 1 1 131 131 LEU CB C 13 44.359 0.3 . 1 . . . . 131 LEU CB . 17210 1 587 . 1 1 131 131 LEU N N 15 117.834 0.3 . 1 . . . . 131 LEU N . 17210 1 588 . 1 1 132 132 GLY H H 1 8.526 0.03 . 1 . . . . 132 GLY H . 17210 1 589 . 1 1 132 132 GLY C C 13 173.316 0.3 . 1 . . . . 132 GLY C . 17210 1 590 . 1 1 132 132 GLY CA C 13 45.889 0.3 . 1 . . . . 132 GLY CA . 17210 1 591 . 1 1 132 132 GLY N N 15 107.969 0.3 . 1 . . . . 132 GLY N . 17210 1 592 . 1 1 133 133 GLU H H 1 7.259 0.03 . 1 . . . . 133 GLU H . 17210 1 593 . 1 1 133 133 GLU C C 13 171.499 0.3 . 1 . . . . 133 GLU C . 17210 1 594 . 1 1 133 133 GLU CA C 13 53.289 0.3 . 1 . . . . 133 GLU CA . 17210 1 595 . 1 1 133 133 GLU CB C 13 31.269 0.3 . 1 . . . . 133 GLU CB . 17210 1 596 . 1 1 133 133 GLU N N 15 116.681 0.3 . 1 . . . . 133 GLU N . 17210 1 597 . 1 1 134 134 PRO C C 13 176.876 0.3 . 1 . . . . 134 PRO C . 17210 1 598 . 1 1 134 134 PRO CA C 13 62.712 0.3 . 1 . . . . 134 PRO CA . 17210 1 599 . 1 1 134 134 PRO CB C 13 32.538 0.3 . 1 . . . . 134 PRO CB . 17210 1 600 . 1 1 135 135 VAL H H 1 9.908 0.03 . 1 . . . . 135 VAL H . 17210 1 601 . 1 1 135 135 VAL C C 13 175.277 0.3 . 1 . . . . 135 VAL C . 17210 1 602 . 1 1 135 135 VAL CA C 13 62.539 0.3 . 1 . . . . 135 VAL CA . 17210 1 603 . 1 1 135 135 VAL CB C 13 34.499 0.3 . 1 . . . . 135 VAL CB . 17210 1 604 . 1 1 135 135 VAL N N 15 125.773 0.3 . 1 . . . . 135 VAL N . 17210 1 605 . 1 1 136 136 THR H H 1 9.057 0.03 . 1 . . . . 136 THR H . 17210 1 606 . 1 1 136 136 THR C C 13 174.518 0.3 . 1 . . . . 136 THR C . 17210 1 607 . 1 1 136 136 THR CA C 13 61.009 0.3 . 1 . . . . 136 THR CA . 17210 1 608 . 1 1 136 136 THR CB C 13 71.009 0.3 . 1 . . . . 136 THR CB . 17210 1 609 . 1 1 136 136 THR N N 15 114.011 0.3 . 1 . . . . 136 THR N . 17210 1 610 . 1 1 137 137 GLU H H 1 7.76 0.03 . 1 . . . . 137 GLU H . 17210 1 611 . 1 1 137 137 GLU C C 13 174.382 0.3 . 1 . . . . 137 GLU C . 17210 1 612 . 1 1 137 137 GLU CA C 13 55.889 0.3 . 1 . . . . 137 GLU CA . 17210 1 613 . 1 1 137 137 GLU CB C 13 35.469 0.3 . 1 . . . . 137 GLU CB . 17210 1 614 . 1 1 137 137 GLU N N 15 123.208 0.3 . 1 . . . . 137 GLU N . 17210 1 615 . 1 1 138 138 ALA H H 1 8.281 0.03 . 1 . . . . 138 ALA H . 17210 1 616 . 1 1 138 138 ALA C C 13 175.884 0.3 . 1 . . . . 138 ALA C . 17210 1 617 . 1 1 138 138 ALA CA C 13 50.779 0.3 . 1 . . . . 138 ALA CA . 17210 1 618 . 1 1 138 138 ALA CB C 13 25.299 0.3 . 1 . . . . 138 ALA CB . 17210 1 619 . 1 1 138 138 ALA N N 15 119.483 0.3 . 1 . . . . 138 ALA N . 17210 1 620 . 1 1 139 139 VAL H H 1 8.882 0.03 . 1 . . . . 139 VAL H . 17210 1 621 . 1 1 139 139 VAL C C 13 174.711 0.3 . 1 . . . . 139 VAL C . 17210 1 622 . 1 1 139 139 VAL CA C 13 62.339 0.3 . 1 . . . . 139 VAL CA . 17210 1 623 . 1 1 139 139 VAL CB C 13 34.347 0.3 . 1 . . . . 139 VAL CB . 17210 1 624 . 1 1 139 139 VAL N N 15 122.35 0.3 . 1 . . . . 139 VAL N . 17210 1 625 . 1 1 140 140 ILE H H 1 7.378 0.03 . 1 . . . . 140 ILE H . 17210 1 626 . 1 1 140 140 ILE C C 13 174.349 0.3 . 1 . . . . 140 ILE C . 17210 1 627 . 1 1 140 140 ILE CA C 13 59.432 0.3 . 1 . . . . 140 ILE CA . 17210 1 628 . 1 1 140 140 ILE CB C 13 41.379 0.3 . 1 . . . . 140 ILE CB . 17210 1 629 . 1 1 140 140 ILE N N 15 124.872 0.3 . 1 . . . . 140 ILE N . 17210 1 630 . 1 1 141 141 THR H H 1 7.872 0.03 . 1 . . . . 141 THR H . 17210 1 631 . 1 1 141 141 THR C C 13 174.143 0.3 . 1 . . . . 141 THR C . 17210 1 632 . 1 1 141 141 THR CA C 13 59.929 0.3 . 1 . . . . 141 THR CA . 17210 1 633 . 1 1 141 141 THR CB C 13 70.009 0.3 . 1 . . . . 141 THR CB . 17210 1 634 . 1 1 141 141 THR N N 15 116.949 0.3 . 1 . . . . 141 THR N . 17210 1 635 . 1 1 142 142 VAL H H 1 7.925 0.03 . 1 . . . . 142 VAL H . 17210 1 636 . 1 1 142 142 VAL CA C 13 57.569 0.3 . 1 . . . . 142 VAL CA . 17210 1 637 . 1 1 142 142 VAL CB C 13 33.799 0.3 . 1 . . . . 142 VAL CB . 17210 1 638 . 1 1 142 142 VAL N N 15 109.209 0.3 . 1 . . . . 142 VAL N . 17210 1 639 . 1 1 145 145 TYR C C 13 176.468 0.3 . 1 . . . . 145 TYR C . 17210 1 640 . 1 1 146 146 PHE H H 1 7.231 0.03 . 1 . . . . 146 PHE H . 17210 1 641 . 1 1 146 146 PHE C C 13 177.799 0.3 . 1 . . . . 146 PHE C . 17210 1 642 . 1 1 146 146 PHE CA C 13 56.336 0.3 . 1 . . . . 146 PHE CA . 17210 1 643 . 1 1 146 146 PHE CB C 13 37.009 0.3 . 1 . . . . 146 PHE CB . 17210 1 644 . 1 1 146 146 PHE N N 15 124.086 0.3 . 1 . . . . 146 PHE N . 17210 1 645 . 1 1 147 147 ASN H H 1 9.197 0.03 . 1 . . . . 147 ASN H . 17210 1 646 . 1 1 147 147 ASN C C 13 176.345 0.3 . 1 . . . . 147 ASN C . 17210 1 647 . 1 1 147 147 ASN CA C 13 51.249 0.3 . 1 . . . . 147 ASN CA . 17210 1 648 . 1 1 147 147 ASN CB C 13 39.109 0.3 . 1 . . . . 147 ASN CB . 17210 1 649 . 1 1 147 147 ASN N N 15 124.912 0.3 . 1 . . . . 147 ASN N . 17210 1 650 . 1 1 148 148 ASP H H 1 8.372 0.03 . 1 . . . . 148 ASP H . 17210 1 651 . 1 1 148 148 ASP C C 13 178.219 0.3 . 1 . . . . 148 ASP C . 17210 1 652 . 1 1 148 148 ASP CA C 13 58.549 0.3 . 1 . . . . 148 ASP CA . 17210 1 653 . 1 1 148 148 ASP CB C 13 40.792 0.3 . 1 . . . . 148 ASP CB . 17210 1 654 . 1 1 148 148 ASP N N 15 117.886 0.3 . 1 . . . . 148 ASP N . 17210 1 655 . 1 1 149 149 ALA H H 1 8.126 0.03 . 1 . . . . 149 ALA H . 17210 1 656 . 1 1 149 149 ALA C C 13 181.896 0.3 . 1 . . . . 149 ALA C . 17210 1 657 . 1 1 149 149 ALA CA C 13 55.448 0.3 . 1 . . . . 149 ALA CA . 17210 1 658 . 1 1 149 149 ALA CB C 13 18.199 0.3 . 1 . . . . 149 ALA CB . 17210 1 659 . 1 1 149 149 ALA N N 15 125.19 0.3 . 1 . . . . 149 ALA N . 17210 1 660 . 1 1 150 150 GLN H H 1 8.672 0.03 . 1 . . . . 150 GLN H . 17210 1 661 . 1 1 150 150 GLN C C 13 179.445 0.3 . 1 . . . . 150 GLN C . 17210 1 662 . 1 1 150 150 GLN CA C 13 59.507 0.3 . 1 . . . . 150 GLN CA . 17210 1 663 . 1 1 150 150 GLN CB C 13 29.652 0.3 . 1 . . . . 150 GLN CB . 17210 1 664 . 1 1 150 150 GLN N N 15 120.41 0.3 . 1 . . . . 150 GLN N . 17210 1 665 . 1 1 151 151 ARG H H 1 8.463 0.03 . 1 . . . . 151 ARG H . 17210 1 666 . 1 1 151 151 ARG C C 13 178.102 0.3 . 1 . . . . 151 ARG C . 17210 1 667 . 1 1 151 151 ARG CA C 13 61.359 0.3 . 1 . . . . 151 ARG CA . 17210 1 668 . 1 1 151 151 ARG CB C 13 30.009 0.3 . 1 . . . . 151 ARG CB . 17210 1 669 . 1 1 151 151 ARG N N 15 122.105 0.3 . 1 . . . . 151 ARG N . 17210 1 670 . 1 1 152 152 GLN H H 1 8.77 0.03 . 1 . . . . 152 GLN H . 17210 1 671 . 1 1 152 152 GLN C C 13 178.044 0.3 . 1 . . . . 152 GLN C . 17210 1 672 . 1 1 152 152 GLN CA C 13 58.889 0.3 . 1 . . . . 152 GLN CA . 17210 1 673 . 1 1 152 152 GLN CB C 13 28.069 0.3 . 1 . . . . 152 GLN CB . 17210 1 674 . 1 1 152 152 GLN N N 15 120.712 0.3 . 1 . . . . 152 GLN N . 17210 1 675 . 1 1 153 153 ALA H H 1 8.122 0.03 . 1 . . . . 153 ALA H . 17210 1 676 . 1 1 153 153 ALA C C 13 179.399 0.3 . 1 . . . . 153 ALA C . 17210 1 677 . 1 1 153 153 ALA CA C 13 54.868 0.3 . 1 . . . . 153 ALA CA . 17210 1 678 . 1 1 153 153 ALA CB C 13 19.799 0.3 . 1 . . . . 153 ALA CB . 17210 1 679 . 1 1 153 153 ALA N N 15 121.198 0.3 . 1 . . . . 153 ALA N . 17210 1 680 . 1 1 154 154 THR C C 13 175.802 0.3 . 1 . . . . 154 THR C . 17210 1 681 . 1 1 155 155 LYS H H 1 8.005 0.03 . 1 . . . . 155 LYS H . 17210 1 682 . 1 1 155 155 LYS C C 13 179.596 0.3 . 1 . . . . 155 LYS C . 17210 1 683 . 1 1 155 155 LYS CA C 13 61.359 0.3 . 1 . . . . 155 LYS CA . 17210 1 684 . 1 1 155 155 LYS CB C 13 32.109 0.3 . 1 . . . . 155 LYS CB . 17210 1 685 . 1 1 155 155 LYS N N 15 123.414 0.3 . 1 . . . . 155 LYS N . 17210 1 686 . 1 1 156 156 ASP H H 1 8.697 0.03 . 1 . . . . 156 ASP H . 17210 1 687 . 1 1 156 156 ASP C C 13 177.869 0.3 . 1 . . . . 156 ASP C . 17210 1 688 . 1 1 156 156 ASP CA C 13 57.649 0.3 . 1 . . . . 156 ASP CA . 17210 1 689 . 1 1 156 156 ASP CB C 13 40.209 0.3 . 1 . . . . 156 ASP CB . 17210 1 690 . 1 1 156 156 ASP N N 15 121.846 0.3 . 1 . . . . 156 ASP N . 17210 1 691 . 1 1 157 157 ALA H H 1 7.747 0.03 . 1 . . . . 157 ALA H . 17210 1 692 . 1 1 157 157 ALA C C 13 179.153 0.3 . 1 . . . . 157 ALA C . 17210 1 693 . 1 1 157 157 ALA CA C 13 55.079 0.3 . 1 . . . . 157 ALA CA . 17210 1 694 . 1 1 157 157 ALA CB C 13 18.299 0.3 . 1 . . . . 157 ALA CB . 17210 1 695 . 1 1 157 157 ALA N N 15 122.5 0.3 . 1 . . . . 157 ALA N . 17210 1 696 . 1 1 158 158 GLY H H 1 7.558 0.03 . 1 . . . . 158 GLY H . 17210 1 697 . 1 1 158 158 GLY C C 13 174.168 0.3 . 1 . . . . 158 GLY C . 17210 1 698 . 1 1 158 158 GLY CA C 13 47.589 0.3 . 1 . . . . 158 GLY CA . 17210 1 699 . 1 1 158 158 GLY N N 15 103.953 0.3 . 1 . . . . 158 GLY N . 17210 1 700 . 1 1 159 159 ARG H H 1 8.057 0.03 . 1 . . . . 159 ARG H . 17210 1 701 . 1 1 159 159 ARG C C 13 181.546 0.3 . 1 . . . . 159 ARG C . 17210 1 702 . 1 1 159 159 ARG CA C 13 59.959 0.3 . 1 . . . . 159 ARG CA . 17210 1 703 . 1 1 159 159 ARG CB C 13 29.709 0.3 . 1 . . . . 159 ARG CB . 17210 1 704 . 1 1 159 159 ARG N N 15 124.625 0.3 . 1 . . . . 159 ARG N . 17210 1 705 . 1 1 160 160 ILE H H 1 8.441 0.03 . 1 . . . . 160 ILE H . 17210 1 706 . 1 1 160 160 ILE C C 13 177.285 0.3 . 1 . . . . 160 ILE C . 17210 1 707 . 1 1 160 160 ILE CA C 13 65.369 0.3 . 1 . . . . 160 ILE CA . 17210 1 708 . 1 1 160 160 ILE CB C 13 38.48 0.3 . 1 . . . . 160 ILE CB . 17210 1 709 . 1 1 160 160 ILE N N 15 124.085 0.3 . 1 . . . . 160 ILE N . 17210 1 710 . 1 1 161 161 ALA H H 1 7.421 0.03 . 1 . . . . 161 ALA H . 17210 1 711 . 1 1 161 161 ALA C C 13 175.666 0.3 . 1 . . . . 161 ALA C . 17210 1 712 . 1 1 161 161 ALA CA C 13 52.579 0.3 . 1 . . . . 161 ALA CA . 17210 1 713 . 1 1 161 161 ALA CB C 13 20.299 0.3 . 1 . . . . 161 ALA CB . 17210 1 714 . 1 1 161 161 ALA N N 15 120.846 0.3 . 1 . . . . 161 ALA N . 17210 1 715 . 1 1 162 162 GLY H H 1 7.828 0.03 . 1 . . . . 162 GLY H . 17210 1 716 . 1 1 162 162 GLY C C 13 174.191 0.3 . 1 . . . . 162 GLY C . 17210 1 717 . 1 1 162 162 GLY CA C 13 45.389 0.3 . 1 . . . . 162 GLY CA . 17210 1 718 . 1 1 162 162 GLY N N 15 106.617 0.3 . 1 . . . . 162 GLY N . 17210 1 719 . 1 1 163 163 LEU H H 1 8.167 0.03 . 1 . . . . 163 LEU H . 17210 1 720 . 1 1 163 163 LEU C C 13 175.242 0.3 . 1 . . . . 163 LEU C . 17210 1 721 . 1 1 163 163 LEU CA C 13 52.294 0.3 . 1 . . . . 163 LEU CA . 17210 1 722 . 1 1 163 163 LEU CB C 13 44.059 0.3 . 1 . . . . 163 LEU CB . 17210 1 723 . 1 1 163 163 LEU N N 15 120.012 0.3 . 1 . . . . 163 LEU N . 17210 1 724 . 1 1 164 164 GLU H H 1 8.867 0.03 . 1 . . . . 164 GLU H . 17210 1 725 . 1 1 164 164 GLU C C 13 175.744 0.3 . 1 . . . . 164 GLU C . 17210 1 726 . 1 1 164 164 GLU CA C 13 55.789 0.3 . 1 . . . . 164 GLU CA . 17210 1 727 . 1 1 164 164 GLU CB C 13 29.669 0.3 . 1 . . . . 164 GLU CB . 17210 1 728 . 1 1 164 164 GLU N N 15 124.37 0.3 . 1 . . . . 164 GLU N . 17210 1 729 . 1 1 165 165 VAL H H 1 8.429 0.03 . 1 . . . . 165 VAL H . 17210 1 730 . 1 1 165 165 VAL C C 13 175.744 0.3 . 1 . . . . 165 VAL C . 17210 1 731 . 1 1 165 165 VAL CA C 13 62.639 0.3 . 1 . . . . 165 VAL CA . 17210 1 732 . 1 1 165 165 VAL CB C 13 30.199 0.3 . 1 . . . . 165 VAL CB . 17210 1 733 . 1 1 165 165 VAL N N 15 129.741 0.3 . 1 . . . . 165 VAL N . 17210 1 734 . 1 1 166 166 LYS H H 1 8.861 0.03 . 1 . . . . 166 LYS H . 17210 1 735 . 1 1 166 166 LYS C C 13 177.505 0.3 . 1 . . . . 166 LYS C . 17210 1 736 . 1 1 166 166 LYS CA C 13 56.348 0.3 . 1 . . . . 166 LYS CA . 17210 1 737 . 1 1 166 166 LYS CB C 13 32.609 0.3 . 1 . . . . 166 LYS CB . 17210 1 738 . 1 1 166 166 LYS N N 15 129.675 0.3 . 1 . . . . 166 LYS N . 17210 1 739 . 1 1 167 167 ARG H H 1 7.138 0.03 . 1 . . . . 167 ARG H . 17210 1 740 . 1 1 167 167 ARG C C 13 173.465 0.3 . 1 . . . . 167 ARG C . 17210 1 741 . 1 1 167 167 ARG CA C 13 54.947 0.3 . 1 . . . . 167 ARG CA . 17210 1 742 . 1 1 167 167 ARG CB C 13 34.909 0.3 . 1 . . . . 167 ARG CB . 17210 1 743 . 1 1 167 167 ARG N N 15 114.179 0.3 . 1 . . . . 167 ARG N . 17210 1 744 . 1 1 168 168 ILE H H 1 8.183 0.03 . 1 . . . . 168 ILE H . 17210 1 745 . 1 1 168 168 ILE C C 13 176.433 0.3 . 1 . . . . 168 ILE C . 17210 1 746 . 1 1 168 168 ILE CA C 13 58.969 0.3 . 1 . . . . 168 ILE CA . 17210 1 747 . 1 1 168 168 ILE CB C 13 38.263 0.3 . 1 . . . . 168 ILE CB . 17210 1 748 . 1 1 168 168 ILE N N 15 124.325 0.3 . 1 . . . . 168 ILE N . 17210 1 749 . 1 1 169 169 ILE H H 1 7.584 0.03 . 1 . . . . 169 ILE H . 17210 1 750 . 1 1 169 169 ILE C C 13 173.417 0.3 . 1 . . . . 169 ILE C . 17210 1 751 . 1 1 169 169 ILE CA C 13 57.69 0.3 . 1 . . . . 169 ILE CA . 17210 1 752 . 1 1 169 169 ILE CB C 13 41.679 0.3 . 1 . . . . 169 ILE CB . 17210 1 753 . 1 1 169 169 ILE N N 15 120.93 0.3 . 1 . . . . 169 ILE N . 17210 1 754 . 1 1 170 170 ASN H H 1 8.574 0.03 . 1 . . . . 170 ASN H . 17210 1 755 . 1 1 170 170 ASN C C 13 177.884 0.3 . 1 . . . . 170 ASN C . 17210 1 756 . 1 1 170 170 ASN CA C 13 51.856 0.3 . 1 . . . . 170 ASN CA . 17210 1 757 . 1 1 170 170 ASN CB C 13 38.833 0.3 . 1 . . . . 170 ASN CB . 17210 1 758 . 1 1 170 170 ASN N N 15 122.678 0.3 . 1 . . . . 170 ASN N . 17210 1 759 . 1 1 171 171 GLU H H 1 8.901 0.03 . 1 . . . . 171 GLU H . 17210 1 760 . 1 1 171 171 GLU CA C 13 60.964 0.3 . 1 . . . . 171 GLU CA . 17210 1 761 . 1 1 171 171 GLU CB C 13 27.169 0.3 . 1 . . . . 171 GLU CB . 17210 1 762 . 1 1 171 171 GLU N N 15 123.313 0.3 . 1 . . . . 171 GLU N . 17210 1 763 . 1 1 172 172 PRO C C 13 178.607 0.3 . 1 . . . . 172 PRO C . 17210 1 764 . 1 1 173 173 THR H H 1 6.515 0.03 . 1 . . . . 173 THR H . 17210 1 765 . 1 1 173 173 THR C C 13 175.359 0.3 . 1 . . . . 173 THR C . 17210 1 766 . 1 1 173 173 THR CA C 13 66.075 0.3 . 1 . . . . 173 THR CA . 17210 1 767 . 1 1 173 173 THR CB C 13 67.855 0.3 . 1 . . . . 173 THR CB . 17210 1 768 . 1 1 173 173 THR N N 15 113.252 0.3 . 1 . . . . 173 THR N . 17210 1 769 . 1 1 174 174 ALA H H 1 7.898 0.03 . 1 . . . . 174 ALA H . 17210 1 770 . 1 1 174 174 ALA C C 13 178.864 0.3 . 1 . . . . 174 ALA C . 17210 1 771 . 1 1 174 174 ALA CA C 13 55.797 0.3 . 1 . . . . 174 ALA CA . 17210 1 772 . 1 1 174 174 ALA CB C 13 18.168 0.3 . 1 . . . . 174 ALA CB . 17210 1 773 . 1 1 174 174 ALA N N 15 123.973 0.3 . 1 . . . . 174 ALA N . 17210 1 774 . 1 1 175 175 ALA H H 1 7.942 0.03 . 1 . . . . 175 ALA H . 17210 1 775 . 1 1 175 175 ALA C C 13 178.861 0.3 . 1 . . . . 175 ALA C . 17210 1 776 . 1 1 175 175 ALA CA C 13 55.233 0.3 . 1 . . . . 175 ALA CA . 17210 1 777 . 1 1 175 175 ALA CB C 13 18.168 0.3 . 1 . . . . 175 ALA CB . 17210 1 778 . 1 1 175 175 ALA N N 15 119.594 0.3 . 1 . . . . 175 ALA N . 17210 1 779 . 1 1 176 176 ALA H H 1 7.769 0.03 . 1 . . . . 176 ALA H . 17210 1 780 . 1 1 176 176 ALA C C 13 179.386 0.3 . 1 . . . . 176 ALA C . 17210 1 781 . 1 1 176 176 ALA CA C 13 55.364 0.3 . 1 . . . . 176 ALA CA . 17210 1 782 . 1 1 176 176 ALA CB C 13 18.969 0.3 . 1 . . . . 176 ALA CB . 17210 1 783 . 1 1 176 176 ALA N N 15 118.952 0.3 . 1 . . . . 176 ALA N . 17210 1 784 . 1 1 177 177 LEU H H 1 7.966 0.03 . 1 . . . . 177 LEU H . 17210 1 785 . 1 1 177 177 LEU CA C 13 57.919 0.3 . 1 . . . . 177 LEU CA . 17210 1 786 . 1 1 177 177 LEU CB C 13 42.113 0.3 . 1 . . . . 177 LEU CB . 17210 1 787 . 1 1 177 177 LEU N N 15 120.292 0.3 . 1 . . . . 177 LEU N . 17210 1 788 . 1 1 182 182 ASP C C 13 176.019 0.3 . 1 . . . . 182 ASP C . 17210 1 789 . 1 1 182 182 ASP CA C 13 54.112 0.3 . 1 . . . . 182 ASP CA . 17210 1 790 . 1 1 183 183 LYS H H 1 7.57 0.03 . 1 . . . . 183 LYS H . 17210 1 791 . 1 1 183 183 LYS C C 13 177.139 0.3 . 1 . . . . 183 LYS C . 17210 1 792 . 1 1 183 183 LYS CA C 13 56.114 0.3 . 1 . . . . 183 LYS CA . 17210 1 793 . 1 1 183 183 LYS CB C 13 32.548 0.3 . 1 . . . . 183 LYS CB . 17210 1 794 . 1 1 183 183 LYS N N 15 120.509 0.3 . 1 . . . . 183 LYS N . 17210 1 795 . 1 1 184 184 GLY H H 1 8.484 0.03 . 1 . . . . 184 GLY H . 17210 1 796 . 1 1 184 184 GLY C C 13 174.109 0.3 . 1 . . . . 184 GLY C . 17210 1 797 . 1 1 184 184 GLY CA C 13 45.142 0.3 . 1 . . . . 184 GLY CA . 17210 1 798 . 1 1 184 184 GLY N N 15 110.448 0.3 . 1 . . . . 184 GLY N . 17210 1 799 . 1 1 185 185 THR H H 1 7.871 0.03 . 1 . . . . 185 THR H . 17210 1 800 . 1 1 185 185 THR C C 13 175.255 0.3 . 1 . . . . 185 THR C . 17210 1 801 . 1 1 185 185 THR CA C 13 62.504 0.3 . 1 . . . . 185 THR CA . 17210 1 802 . 1 1 185 185 THR CB C 13 70.134 0.3 . 1 . . . . 185 THR CB . 17210 1 803 . 1 1 185 185 THR N N 15 113.987 0.3 . 1 . . . . 185 THR N . 17210 1 804 . 1 1 186 186 GLY H H 1 8.388 0.03 . 1 . . . . 186 GLY H . 17210 1 805 . 1 1 186 186 GLY C C 13 172.952 0.3 . 1 . . . . 186 GLY C . 17210 1 806 . 1 1 186 186 GLY CA C 13 44.689 0.3 . 1 . . . . 186 GLY CA . 17210 1 807 . 1 1 186 186 GLY N N 15 111.937 0.3 . 1 . . . . 186 GLY N . 17210 1 808 . 1 1 187 187 ASN H H 1 8.284 0.03 . 1 . . . . 187 ASN H . 17210 1 809 . 1 1 187 187 ASN C C 13 175.826 0.3 . 1 . . . . 187 ASN C . 17210 1 810 . 1 1 187 187 ASN CA C 13 53.149 0.3 . 1 . . . . 187 ASN CA . 17210 1 811 . 1 1 187 187 ASN CB C 13 38.682 0.3 . 1 . . . . 187 ASN CB . 17210 1 812 . 1 1 187 187 ASN N N 15 121.29 0.3 . 1 . . . . 187 ASN N . 17210 1 813 . 1 1 188 188 ARG H H 1 8.843 0.03 . 1 . . . . 188 ARG H . 17210 1 814 . 1 1 188 188 ARG C C 13 174.109 0.3 . 1 . . . . 188 ARG C . 17210 1 815 . 1 1 188 188 ARG CA C 13 54.497 0.3 . 1 . . . . 188 ARG CA . 17210 1 816 . 1 1 188 188 ARG CB C 13 34.709 0.3 . 1 . . . . 188 ARG CB . 17210 1 817 . 1 1 188 188 ARG N N 15 123.567 0.3 . 1 . . . . 188 ARG N . 17210 1 818 . 1 1 189 189 THR H H 1 9.841 0.03 . 1 . . . . 189 THR H . 17210 1 819 . 1 1 189 189 THR C C 13 174.635 0.3 . 1 . . . . 189 THR C . 17210 1 820 . 1 1 189 189 THR CA C 13 62.329 0.3 . 1 . . . . 189 THR CA . 17210 1 821 . 1 1 189 189 THR CB C 13 69.409 0.3 . 1 . . . . 189 THR CB . 17210 1 822 . 1 1 189 189 THR N N 15 121.88 0.3 . 1 . . . . 189 THR N . 17210 1 823 . 1 1 190 190 ILE H H 1 9.41 0.03 . 1 . . . . 190 ILE H . 17210 1 824 . 1 1 190 190 ILE C C 13 173.807 0.3 . 1 . . . . 190 ILE C . 17210 1 825 . 1 1 190 190 ILE CA C 13 58.769 0.3 . 1 . . . . 190 ILE CA . 17210 1 826 . 1 1 190 190 ILE CB C 13 41.732 0.3 . 1 . . . . 190 ILE CB . 17210 1 827 . 1 1 190 190 ILE N N 15 121.352 0.3 . 1 . . . . 190 ILE N . 17210 1 828 . 1 1 191 191 ALA H H 1 7.97 0.03 . 1 . . . . 191 ALA H . 17210 1 829 . 1 1 191 191 ALA C C 13 174.717 0.3 . 1 . . . . 191 ALA C . 17210 1 830 . 1 1 191 191 ALA CA C 13 49.564 0.3 . 1 . . . . 191 ALA CA . 17210 1 831 . 1 1 191 191 ALA CB C 13 21.584 0.3 . 1 . . . . 191 ALA CB . 17210 1 832 . 1 1 191 191 ALA N N 15 123.313 0.3 . 1 . . . . 191 ALA N . 17210 1 833 . 1 1 192 192 VAL H H 1 9.124 0.03 . 1 . . . . 192 VAL H . 17210 1 834 . 1 1 192 192 VAL C C 13 173.507 0.3 . 1 . . . . 192 VAL C . 17210 1 835 . 1 1 192 192 VAL CA C 13 61.939 0.3 . 1 . . . . 192 VAL CA . 17210 1 836 . 1 1 192 192 VAL CB C 13 32.886 0.3 . 1 . . . . 192 VAL CB . 17210 1 837 . 1 1 192 192 VAL N N 15 123.225 0.3 . 1 . . . . 192 VAL N . 17210 1 838 . 1 1 193 193 TYR H H 1 8.861 0.03 . 1 . . . . 193 TYR H . 17210 1 839 . 1 1 193 193 TYR C C 13 172.241 0.3 . 1 . . . . 193 TYR C . 17210 1 840 . 1 1 193 193 TYR CA C 13 57.149 0.3 . 1 . . . . 193 TYR CA . 17210 1 841 . 1 1 193 193 TYR CB C 13 40.284 0.3 . 1 . . . . 193 TYR CB . 17210 1 842 . 1 1 193 193 TYR N N 15 134.378 0.3 . 1 . . . . 193 TYR N . 17210 1 843 . 1 1 194 194 ASP H H 1 8.913 0.03 . 1 . . . . 194 ASP H . 17210 1 844 . 1 1 194 194 ASP C C 13 175.329 0.3 . 1 . . . . 194 ASP C . 17210 1 845 . 1 1 194 194 ASP CA C 13 51.549 0.3 . 1 . . . . 194 ASP CA . 17210 1 846 . 1 1 194 194 ASP CB C 13 42.522 0.3 . 1 . . . . 194 ASP CB . 17210 1 847 . 1 1 194 194 ASP N N 15 129.502 0.3 . 1 . . . . 194 ASP N . 17210 1 848 . 1 1 195 195 LEU H H 1 8.074 0.03 . 1 . . . . 195 LEU H . 17210 1 849 . 1 1 195 195 LEU CA C 13 53.704 0.3 . 1 . . . . 195 LEU CA . 17210 1 850 . 1 1 195 195 LEU CB C 13 44.744 0.3 . 1 . . . . 195 LEU CB . 17210 1 851 . 1 1 195 195 LEU N N 15 128.119 0.3 . 1 . . . . 195 LEU N . 17210 1 852 . 1 1 200 200 PHE C C 13 174.565 0.3 . 1 . . . . 200 PHE C . 17210 1 853 . 1 1 201 201 ASP H H 1 8.81 0.03 . 1 . . . . 201 ASP H . 17210 1 854 . 1 1 201 201 ASP C C 13 171.87 0.3 . 1 . . . . 201 ASP C . 17210 1 855 . 1 1 201 201 ASP CA C 13 52.926 0.3 . 1 . . . . 201 ASP CA . 17210 1 856 . 1 1 201 201 ASP CB C 13 45.976 0.3 . 1 . . . . 201 ASP CB . 17210 1 857 . 1 1 201 201 ASP N N 15 131.747 0.3 . 1 . . . . 201 ASP N . 17210 1 858 . 1 1 202 202 ILE H H 1 7.961 0.03 . 1 . . . . 202 ILE H . 17210 1 859 . 1 1 202 202 ILE C C 13 173.666 0.3 . 1 . . . . 202 ILE C . 17210 1 860 . 1 1 202 202 ILE CA C 13 55.733 0.3 . 1 . . . . 202 ILE CA . 17210 1 861 . 1 1 202 202 ILE CB C 13 40.879 0.3 . 1 . . . . 202 ILE CB . 17210 1 862 . 1 1 202 202 ILE N N 15 119.652 0.3 . 1 . . . . 202 ILE N . 17210 1 863 . 1 1 203 203 SER H H 1 8.326 0.03 . 1 . . . . 203 SER H . 17210 1 864 . 1 1 203 203 SER C C 13 172.026 0.3 . 1 . . . . 203 SER C . 17210 1 865 . 1 1 203 203 SER CA C 13 57.564 0.3 . 1 . . . . 203 SER CA . 17210 1 866 . 1 1 203 203 SER CB C 13 66.909 0.3 . 1 . . . . 203 SER CB . 17210 1 867 . 1 1 203 203 SER N N 15 120.823 0.3 . 1 . . . . 203 SER N . 17210 1 868 . 1 1 204 204 ILE H H 1 8.831 0.03 . 1 . . . . 204 ILE H . 17210 1 869 . 1 1 204 204 ILE C C 13 175.258 0.3 . 1 . . . . 204 ILE C . 17210 1 870 . 1 1 204 204 ILE CA C 13 58.969 0.3 . 1 . . . . 204 ILE CA . 17210 1 871 . 1 1 204 204 ILE CB C 13 37.379 0.3 . 1 . . . . 204 ILE CB . 17210 1 872 . 1 1 204 204 ILE N N 15 126.274 0.3 . 1 . . . . 204 ILE N . 17210 1 873 . 1 1 205 205 ILE H H 1 9.107 0.03 . 1 . . . . 205 ILE H . 17210 1 874 . 1 1 205 205 ILE C C 13 172.785 0.3 . 1 . . . . 205 ILE C . 17210 1 875 . 1 1 205 205 ILE CA C 13 60.519 0.3 . 1 . . . . 205 ILE CA . 17210 1 876 . 1 1 205 205 ILE CB C 13 42.778 0.3 . 1 . . . . 205 ILE CB . 17210 1 877 . 1 1 205 205 ILE N N 15 129.564 0.3 . 1 . . . . 205 ILE N . 17210 1 878 . 1 1 206 206 GLU H H 1 9.361 0.03 . 1 . . . . 206 GLU H . 17210 1 879 . 1 1 206 206 GLU C C 13 175.307 0.3 . 1 . . . . 206 GLU C . 17210 1 880 . 1 1 206 206 GLU CA C 13 55.126 0.3 . 1 . . . . 206 GLU CA . 17210 1 881 . 1 1 206 206 GLU CB C 13 31.682 0.3 . 1 . . . . 206 GLU CB . 17210 1 882 . 1 1 206 206 GLU N N 15 129.678 0.3 . 1 . . . . 206 GLU N . 17210 1 883 . 1 1 207 207 ILE H H 1 9.366 0.03 . 1 . . . . 207 ILE H . 17210 1 884 . 1 1 207 207 ILE C C 13 174.775 0.3 . 1 . . . . 207 ILE C . 17210 1 885 . 1 1 207 207 ILE CA C 13 60.092 0.3 . 1 . . . . 207 ILE CA . 17210 1 886 . 1 1 207 207 ILE CB C 13 39.404 0.3 . 1 . . . . 207 ILE CB . 17210 1 887 . 1 1 207 207 ILE N N 15 131.408 0.3 . 1 . . . . 207 ILE N . 17210 1 888 . 1 1 208 208 ASP H H 1 8.248 0.03 . 1 . . . . 208 ASP H . 17210 1 889 . 1 1 208 208 ASP C C 13 174.81 0.3 . 1 . . . . 208 ASP C . 17210 1 890 . 1 1 208 208 ASP CA C 13 52.249 0.3 . 1 . . . . 208 ASP CA . 17210 1 891 . 1 1 208 208 ASP CB C 13 43.047 0.3 . 1 . . . . 208 ASP CB . 17210 1 892 . 1 1 208 208 ASP N N 15 127.966 0.3 . 1 . . . . 208 ASP N . 17210 1 893 . 1 1 209 209 GLU H H 1 8.508 0.03 . 1 . . . . 209 GLU H . 17210 1 894 . 1 1 209 209 GLU C C 13 175.184 0.3 . 1 . . . . 209 GLU C . 17210 1 895 . 1 1 209 209 GLU CA C 13 55.452 0.3 . 1 . . . . 209 GLU CA . 17210 1 896 . 1 1 209 209 GLU CB C 13 32.069 0.3 . 1 . . . . 209 GLU CB . 17210 1 897 . 1 1 209 209 GLU N N 15 122.576 0.3 . 1 . . . . 209 GLU N . 17210 1 898 . 1 1 210 210 VAL H H 1 8.623 0.03 . 1 . . . . 210 VAL H . 17210 1 899 . 1 1 210 210 VAL C C 13 176.001 0.3 . 1 . . . . 210 VAL C . 17210 1 900 . 1 1 210 210 VAL CA C 13 62.139 0.3 . 1 . . . . 210 VAL CA . 17210 1 901 . 1 1 210 210 VAL CB C 13 34.399 0.3 . 1 . . . . 210 VAL CB . 17210 1 902 . 1 1 210 210 VAL N N 15 127.082 0.3 . 1 . . . . 210 VAL N . 17210 1 903 . 1 1 211 211 ASP H H 1 9.263 0.03 . 1 . . . . 211 ASP H . 17210 1 904 . 1 1 211 211 ASP C C 13 175.738 0.3 . 1 . . . . 211 ASP C . 17210 1 905 . 1 1 211 211 ASP CA C 13 55.749 0.3 . 1 . . . . 211 ASP CA . 17210 1 906 . 1 1 211 211 ASP CB C 13 39.809 0.3 . 1 . . . . 211 ASP CB . 17210 1 907 . 1 1 211 211 ASP N N 15 129.73 0.3 . 1 . . . . 211 ASP N . 17210 1 908 . 1 1 212 212 GLY H H 1 8.493 0.03 . 1 . . . . 212 GLY H . 17210 1 909 . 1 1 212 212 GLY C C 13 173.71 0.3 . 1 . . . . 212 GLY C . 17210 1 910 . 1 1 212 212 GLY CA C 13 45.052 0.3 . 1 . . . . 212 GLY CA . 17210 1 911 . 1 1 212 212 GLY N N 15 104.613 0.3 . 1 . . . . 212 GLY N . 17210 1 912 . 1 1 213 213 GLU H H 1 7.78 0.03 . 1 . . . . 213 GLU H . 17210 1 913 . 1 1 213 213 GLU C C 13 175.184 0.3 . 1 . . . . 213 GLU C . 17210 1 914 . 1 1 213 213 GLU CA C 13 55.023 0.3 . 1 . . . . 213 GLU CA . 17210 1 915 . 1 1 213 213 GLU CB C 13 31.041 0.3 . 1 . . . . 213 GLU CB . 17210 1 916 . 1 1 213 213 GLU N N 15 121.636 0.3 . 1 . . . . 213 GLU N . 17210 1 917 . 1 1 214 214 LYS H H 1 8.518 0.03 . 1 . . . . 214 LYS H . 17210 1 918 . 1 1 214 214 LYS C C 13 175.447 0.3 . 1 . . . . 214 LYS C . 17210 1 919 . 1 1 214 214 LYS CA C 13 55.471 0.3 . 1 . . . . 214 LYS CA . 17210 1 920 . 1 1 214 214 LYS CB C 13 34.275 0.3 . 1 . . . . 214 LYS CB . 17210 1 921 . 1 1 214 214 LYS N N 15 125.984 0.3 . 1 . . . . 214 LYS N . 17210 1 922 . 1 1 215 215 THR H H 1 8.755 0.03 . 1 . . . . 215 THR H . 17210 1 923 . 1 1 215 215 THR C C 13 173.199 0.3 . 1 . . . . 215 THR C . 17210 1 924 . 1 1 215 215 THR CA C 13 60.329 0.3 . 1 . . . . 215 THR CA . 17210 1 925 . 1 1 215 215 THR CB C 13 70.809 0.3 . 1 . . . . 215 THR CB . 17210 1 926 . 1 1 215 215 THR N N 15 116.68 0.3 . 1 . . . . 215 THR N . 17210 1 927 . 1 1 216 216 PHE H H 1 8.349 0.03 . 1 . . . . 216 PHE H . 17210 1 928 . 1 1 216 216 PHE C C 13 174.775 0.3 . 1 . . . . 216 PHE C . 17210 1 929 . 1 1 216 216 PHE CA C 13 56.449 0.3 . 1 . . . . 216 PHE CA . 17210 1 930 . 1 1 216 216 PHE CB C 13 41.484 0.3 . 1 . . . . 216 PHE CB . 17210 1 931 . 1 1 216 216 PHE N N 15 120.413 0.3 . 1 . . . . 216 PHE N . 17210 1 932 . 1 1 217 217 GLU H H 1 8.87 0.03 . 1 . . . . 217 GLU H . 17210 1 933 . 1 1 217 217 GLU C C 13 174.711 0.3 . 1 . . . . 217 GLU C . 17210 1 934 . 1 1 217 217 GLU CA C 13 55.089 0.3 . 1 . . . . 217 GLU CA . 17210 1 935 . 1 1 217 217 GLU CB C 13 33.184 0.3 . 1 . . . . 217 GLU CB . 17210 1 936 . 1 1 217 217 GLU N N 15 125.049 0.3 . 1 . . . . 217 GLU N . 17210 1 937 . 1 1 218 218 VAL H H 1 9.111 0.03 . 1 . . . . 218 VAL H . 17210 1 938 . 1 1 218 218 VAL C C 13 176.176 0.3 . 1 . . . . 218 VAL C . 17210 1 939 . 1 1 218 218 VAL CA C 13 63.653 0.3 . 1 . . . . 218 VAL CA . 17210 1 940 . 1 1 218 218 VAL CB C 13 31.713 0.3 . 1 . . . . 218 VAL CB . 17210 1 941 . 1 1 218 218 VAL N N 15 128.547 0.3 . 1 . . . . 218 VAL N . 17210 1 942 . 1 1 219 219 LEU H H 1 9.301 0.03 . 1 . . . . 219 LEU H . 17210 1 943 . 1 1 219 219 LEU C C 13 177.869 0.3 . 1 . . . . 219 LEU C . 17210 1 944 . 1 1 219 219 LEU CA C 13 55.71 0.3 . 1 . . . . 219 LEU CA . 17210 1 945 . 1 1 219 219 LEU CB C 13 42.959 0.3 . 1 . . . . 219 LEU CB . 17210 1 946 . 1 1 219 219 LEU N N 15 129.896 0.3 . 1 . . . . 219 LEU N . 17210 1 947 . 1 1 220 220 ALA H H 1 7.511 0.03 . 1 . . . . 220 ALA H . 17210 1 948 . 1 1 220 220 ALA C C 13 175.393 0.3 . 1 . . . . 220 ALA C . 17210 1 949 . 1 1 220 220 ALA CA C 13 52.648 0.3 . 1 . . . . 220 ALA CA . 17210 1 950 . 1 1 220 220 ALA CB C 13 23.999 0.3 . 1 . . . . 220 ALA CB . 17210 1 951 . 1 1 220 220 ALA N N 15 117.234 0.3 . 1 . . . . 220 ALA N . 17210 1 952 . 1 1 221 221 THR H H 1 8.566 0.03 . 1 . . . . 221 THR H . 17210 1 953 . 1 1 221 221 THR C C 13 172.366 0.3 . 1 . . . . 221 THR C . 17210 1 954 . 1 1 221 221 THR CA C 13 60.832 0.3 . 1 . . . . 221 THR CA . 17210 1 955 . 1 1 221 221 THR CB C 13 71.506 0.3 . 1 . . . . 221 THR CB . 17210 1 956 . 1 1 221 221 THR N N 15 115.831 0.3 . 1 . . . . 221 THR N . 17210 1 957 . 1 1 222 222 ASN H H 1 9.336 0.03 . 1 . . . . 222 ASN H . 17210 1 958 . 1 1 222 222 ASN C C 13 173.642 0.3 . 1 . . . . 222 ASN C . 17210 1 959 . 1 1 222 222 ASN CA C 13 53.049 0.3 . 1 . . . . 222 ASN CA . 17210 1 960 . 1 1 222 222 ASN CB C 13 41.909 0.3 . 1 . . . . 222 ASN CB . 17210 1 961 . 1 1 222 222 ASN N N 15 128.633 0.3 . 1 . . . . 222 ASN N . 17210 1 962 . 1 1 223 223 GLY H H 1 9.8 0.03 . 1 . . . . 223 GLY H . 17210 1 963 . 1 1 223 223 GLY C C 13 170.911 0.3 . 1 . . . . 223 GLY C . 17210 1 964 . 1 1 223 223 GLY CA C 13 46.014 0.3 . 1 . . . . 223 GLY CA . 17210 1 965 . 1 1 223 223 GLY N N 15 110.058 0.3 . 1 . . . . 223 GLY N . 17210 1 966 . 1 1 224 224 ASP H H 1 8.777 0.03 . 1 . . . . 224 ASP H . 17210 1 967 . 1 1 224 224 ASP C C 13 176.536 0.3 . 1 . . . . 224 ASP C . 17210 1 968 . 1 1 224 224 ASP CA C 13 54.049 0.3 . 1 . . . . 224 ASP CA . 17210 1 969 . 1 1 224 224 ASP CB C 13 44.109 0.3 . 1 . . . . 224 ASP CB . 17210 1 970 . 1 1 224 224 ASP N N 15 119.738 0.3 . 1 . . . . 224 ASP N . 17210 1 971 . 1 1 225 225 THR H H 1 8.549 0.03 . 1 . . . . 225 THR H . 17210 1 972 . 1 1 225 225 THR C C 13 173.765 0.3 . 1 . . . . 225 THR C . 17210 1 973 . 1 1 225 225 THR CA C 13 63.129 0.3 . 1 . . . . 225 THR CA . 17210 1 974 . 1 1 225 225 THR CB C 13 68.679 0.3 . 1 . . . . 225 THR CB . 17210 1 975 . 1 1 225 225 THR N N 15 118.284 0.3 . 1 . . . . 225 THR N . 17210 1 976 . 1 1 226 226 HIS H H 1 8.984 0.03 . 1 . . . . 226 HIS H . 17210 1 977 . 1 1 226 226 HIS C C 13 172.843 0.3 . 1 . . . . 226 HIS C . 17210 1 978 . 1 1 226 226 HIS CA C 13 54.069 0.3 . 1 . . . . 226 HIS CA . 17210 1 979 . 1 1 226 226 HIS CB C 13 28.209 0.3 . 1 . . . . 226 HIS CB . 17210 1 980 . 1 1 226 226 HIS N N 15 120.863 0.3 . 1 . . . . 226 HIS N . 17210 1 981 . 1 1 227 227 LEU H H 1 6.735 0.03 . 1 . . . . 227 LEU H . 17210 1 982 . 1 1 227 227 LEU C C 13 172.032 0.3 . 1 . . . . 227 LEU C . 17210 1 983 . 1 1 227 227 LEU CA C 13 54.389 0.3 . 1 . . . . 227 LEU CA . 17210 1 984 . 1 1 227 227 LEU CB C 13 44.059 0.3 . 1 . . . . 227 LEU CB . 17210 1 985 . 1 1 227 227 LEU N N 15 124.154 0.3 . 1 . . . . 227 LEU N . 17210 1 986 . 1 1 228 228 GLY H H 1 8.674 0.03 . 1 . . . . 228 GLY H . 17210 1 987 . 1 1 228 228 GLY C C 13 175.125 0.3 . 1 . . . . 228 GLY C . 17210 1 988 . 1 1 228 228 GLY CA C 13 44.189 0.3 . 1 . . . . 228 GLY CA . 17210 1 989 . 1 1 228 228 GLY N N 15 108.114 0.3 . 1 . . . . 228 GLY N . 17210 1 990 . 1 1 229 229 GLY H H 1 9.687 0.03 . 1 . . . . 229 GLY H . 17210 1 991 . 1 1 229 229 GLY CA C 13 48.077 0.3 . 1 . . . . 229 GLY CA . 17210 1 992 . 1 1 229 229 GLY N N 15 108.693 0.3 . 1 . . . . 229 GLY N . 17210 1 993 . 1 1 230 230 GLU C C 13 179.97 0.3 . 1 . . . . 230 GLU C . 17210 1 994 . 1 1 231 231 ASP H H 1 7.935 0.03 . 1 . . . . 231 ASP H . 17210 1 995 . 1 1 231 231 ASP C C 13 179.099 0.3 . 1 . . . . 231 ASP C . 17210 1 996 . 1 1 231 231 ASP CA C 13 56.049 0.3 . 1 . . . . 231 ASP CA . 17210 1 997 . 1 1 231 231 ASP CB C 13 41.609 0.3 . 1 . . . . 231 ASP CB . 17210 1 998 . 1 1 231 231 ASP N N 15 117.962 0.3 . 1 . . . . 231 ASP N . 17210 1 999 . 1 1 233 233 ASP C C 13 179.302 0.3 . 1 . . . . 233 ASP C . 17210 1 1000 . 1 1 233 233 ASP CA C 13 57.995 0.3 . 1 . . . . 233 ASP CA . 17210 1 1001 . 1 1 233 233 ASP CB C 13 39.531 0.3 . 1 . . . . 233 ASP CB . 17210 1 1002 . 1 1 234 234 SER H H 1 8.065 0.03 . 1 . . . . 234 SER H . 17210 1 1003 . 1 1 234 234 SER C C 13 176.683 0.3 . 1 . . . . 234 SER C . 17210 1 1004 . 1 1 234 234 SER CA C 13 61.928 0.3 . 1 . . . . 234 SER CA . 17210 1 1005 . 1 1 234 234 SER CB C 13 63.287 0.3 . 1 . . . . 234 SER CB . 17210 1 1006 . 1 1 234 234 SER N N 15 113.821 0.3 . 1 . . . . 234 SER N . 17210 1 1007 . 1 1 235 235 ARG H H 1 7.327 0.03 . 1 . . . . 235 ARG H . 17210 1 1008 . 1 1 235 235 ARG C C 13 179.715 0.3 . 1 . . . . 235 ARG C . 17210 1 1009 . 1 1 235 235 ARG CA C 13 56.89 0.3 . 1 . . . . 235 ARG CA . 17210 1 1010 . 1 1 235 235 ARG CB C 13 29.992 0.3 . 1 . . . . 235 ARG CB . 17210 1 1011 . 1 1 235 235 ARG N N 15 118.607 0.3 . 1 . . . . 235 ARG N . 17210 1 1012 . 1 1 236 236 LEU H H 1 7.33 0.03 . 1 . . . . 236 LEU H . 17210 1 1013 . 1 1 236 236 LEU C C 13 177.885 0.3 . 1 . . . . 236 LEU C . 17210 1 1014 . 1 1 236 236 LEU CA C 13 57.504 0.3 . 1 . . . . 236 LEU CA . 17210 1 1015 . 1 1 236 236 LEU CB C 13 41.763 0.3 . 1 . . . . 236 LEU CB . 17210 1 1016 . 1 1 236 236 LEU N N 15 121.255 0.3 . 1 . . . . 236 LEU N . 17210 1 1017 . 1 1 237 237 ILE H H 1 9.049 0.03 . 1 . . . . 237 ILE H . 17210 1 1018 . 1 1 237 237 ILE C C 13 177.203 0.3 . 1 . . . . 237 ILE C . 17210 1 1019 . 1 1 237 237 ILE CA C 13 67.061 0.3 . 1 . . . . 237 ILE CA . 17210 1 1020 . 1 1 237 237 ILE CB C 13 38.795 0.3 . 1 . . . . 237 ILE CB . 17210 1 1021 . 1 1 237 237 ILE N N 15 121.651 0.3 . 1 . . . . 237 ILE N . 17210 1 1022 . 1 1 238 238 ASN H H 1 8.03 0.03 . 1 . . . . 238 ASN H . 17210 1 1023 . 1 1 238 238 ASN CA C 13 56.991 0.3 . 1 . . . . 238 ASN CA . 17210 1 1024 . 1 1 238 238 ASN CB C 13 38.225 0.3 . 1 . . . . 238 ASN CB . 17210 1 1025 . 1 1 238 238 ASN N N 15 116.379 0.3 . 1 . . . . 238 ASN N . 17210 1 1026 . 1 1 239 239 TYR C C 13 176.362 0.3 . 1 . . . . 239 TYR C . 17210 1 1027 . 1 1 239 239 TYR CA C 13 61.086 0.3 . 1 . . . . 239 TYR CA . 17210 1 1028 . 1 1 239 239 TYR CB C 13 39.081 0.3 . 1 . . . . 239 TYR CB . 17210 1 1029 . 1 1 240 240 LEU H H 1 8.246 0.03 . 1 . . . . 240 LEU H . 17210 1 1030 . 1 1 240 240 LEU C C 13 179.27 0.3 . 1 . . . . 240 LEU C . 17210 1 1031 . 1 1 240 240 LEU CA C 13 58.278 0.3 . 1 . . . . 240 LEU CA . 17210 1 1032 . 1 1 240 240 LEU CB C 13 41.763 0.3 . 1 . . . . 240 LEU CB . 17210 1 1033 . 1 1 240 240 LEU N N 15 119.989 0.3 . 1 . . . . 240 LEU N . 17210 1 1034 . 1 1 241 241 VAL H H 1 8.57 0.03 . 1 . . . . 241 VAL H . 17210 1 1035 . 1 1 241 241 VAL C C 13 179.928 0.3 . 1 . . . . 241 VAL C . 17210 1 1036 . 1 1 241 241 VAL CA C 13 66.846 0.3 . 1 . . . . 241 VAL CA . 17210 1 1037 . 1 1 241 241 VAL CB C 13 32.399 0.3 . 1 . . . . 241 VAL CB . 17210 1 1038 . 1 1 241 241 VAL N N 15 118.718 0.3 . 1 . . . . 241 VAL N . 17210 1 1039 . 1 1 242 242 GLU H H 1 8.224 0.03 . 1 . . . . 242 GLU H . 17210 1 1040 . 1 1 242 242 GLU C C 13 179.912 0.3 . 1 . . . . 242 GLU C . 17210 1 1041 . 1 1 242 242 GLU CA C 13 59.496 0.3 . 1 . . . . 242 GLU CA . 17210 1 1042 . 1 1 242 242 GLU CB C 13 28.878 0.3 . 1 . . . . 242 GLU CB . 17210 1 1043 . 1 1 242 242 GLU N N 15 122.332 0.3 . 1 . . . . 242 GLU N . 17210 1 1044 . 1 1 243 243 GLU H H 1 8.643 0.03 . 1 . . . . 243 GLU H . 17210 1 1045 . 1 1 243 243 GLU C C 13 178.899 0.3 . 1 . . . . 243 GLU C . 17210 1 1046 . 1 1 243 243 GLU CA C 13 59.389 0.3 . 1 . . . . 243 GLU CA . 17210 1 1047 . 1 1 243 243 GLU CB C 13 29.469 0.3 . 1 . . . . 243 GLU CB . 17210 1 1048 . 1 1 243 243 GLU N N 15 121.61 0.3 . 1 . . . . 243 GLU N . 17210 1 1049 . 1 1 244 244 PHE C C 13 177.826 0.3 . 1 . . . . 244 PHE C . 17210 1 1050 . 1 1 245 245 LYS H H 1 8.094 0.03 . 1 . . . . 245 LYS H . 17210 1 1051 . 1 1 245 245 LYS C C 13 179.694 0.3 . 1 . . . . 245 LYS C . 17210 1 1052 . 1 1 245 245 LYS CA C 13 59.959 0.3 . 1 . . . . 245 LYS CA . 17210 1 1053 . 1 1 245 245 LYS CB C 13 33.009 0.3 . 1 . . . . 245 LYS CB . 17210 1 1054 . 1 1 245 245 LYS N N 15 120.488 0.3 . 1 . . . . 245 LYS N . 17210 1 1055 . 1 1 246 246 LYS H H 1 7.822 0.03 . 1 . . . . 246 LYS H . 17210 1 1056 . 1 1 246 246 LYS C C 13 177.81 0.3 . 1 . . . . 246 LYS C . 17210 1 1057 . 1 1 246 246 LYS CA C 13 59.759 0.3 . 1 . . . . 246 LYS CA . 17210 1 1058 . 1 1 246 246 LYS CB C 13 32.609 0.3 . 1 . . . . 246 LYS CB . 17210 1 1059 . 1 1 246 246 LYS N N 15 120.84 0.3 . 1 . . . . 246 LYS N . 17210 1 1060 . 1 1 247 247 ASP H H 1 7.747 0.03 . 1 . . . . 247 ASP H . 17210 1 1061 . 1 1 247 247 ASP C C 13 177.343 0.3 . 1 . . . . 247 ASP C . 17210 1 1062 . 1 1 247 247 ASP CA C 13 56.849 0.3 . 1 . . . . 247 ASP CA . 17210 1 1063 . 1 1 247 247 ASP CB C 13 43.009 0.3 . 1 . . . . 247 ASP CB . 17210 1 1064 . 1 1 247 247 ASP N N 15 117.221 0.3 . 1 . . . . 247 ASP N . 17210 1 1065 . 1 1 248 248 GLN H H 1 8.174 0.03 . 1 . . . . 248 GLN H . 17210 1 1066 . 1 1 248 248 GLN C C 13 177.285 0.3 . 1 . . . . 248 GLN C . 17210 1 1067 . 1 1 248 248 GLN CA C 13 55.389 0.3 . 1 . . . . 248 GLN CA . 17210 1 1068 . 1 1 248 248 GLN CB C 13 30.169 0.3 . 1 . . . . 248 GLN CB . 17210 1 1069 . 1 1 248 248 GLN N N 15 113.494 0.3 . 1 . . . . 248 GLN N . 17210 1 1070 . 1 1 249 249 GLY H H 1 7.729 0.03 . 1 . . . . 249 GLY H . 17210 1 1071 . 1 1 249 249 GLY C C 13 173.491 0.3 . 1 . . . . 249 GLY C . 17210 1 1072 . 1 1 249 249 GLY CA C 13 46.289 0.3 . 1 . . . . 249 GLY CA . 17210 1 1073 . 1 1 249 249 GLY N N 15 108.748 0.3 . 1 . . . . 249 GLY N . 17210 1 1074 . 1 1 250 250 ILE H H 1 6.193 0.03 . 1 . . . . 250 ILE H . 17210 1 1075 . 1 1 250 250 ILE C C 13 173.876 0.3 . 1 . . . . 250 ILE C . 17210 1 1076 . 1 1 250 250 ILE CA C 13 59.685 0.3 . 1 . . . . 250 ILE CA . 17210 1 1077 . 1 1 250 250 ILE CB C 13 42.779 0.3 . 1 . . . . 250 ILE CB . 17210 1 1078 . 1 1 250 250 ILE N N 15 118.751 0.3 . 1 . . . . 250 ILE N . 17210 1 1079 . 1 1 251 251 ASP H H 1 8.892 0.03 . 1 . . . . 251 ASP H . 17210 1 1080 . 1 1 251 251 ASP C C 13 176.876 0.3 . 1 . . . . 251 ASP C . 17210 1 1081 . 1 1 251 251 ASP CA C 13 52.249 0.3 . 1 . . . . 251 ASP CA . 17210 1 1082 . 1 1 251 251 ASP CB C 13 41.209 0.3 . 1 . . . . 251 ASP CB . 17210 1 1083 . 1 1 251 251 ASP N N 15 128.01 0.3 . 1 . . . . 251 ASP N . 17210 1 1084 . 1 1 252 252 LEU H H 1 9.053 0.03 . 1 . . . . 252 LEU H . 17210 1 1085 . 1 1 252 252 LEU C C 13 176.935 0.3 . 1 . . . . 252 LEU C . 17210 1 1086 . 1 1 252 252 LEU CA C 13 56.819 0.3 . 1 . . . . 252 LEU CA . 17210 1 1087 . 1 1 252 252 LEU CB C 13 42.559 0.3 . 1 . . . . 252 LEU CB . 17210 1 1088 . 1 1 252 252 LEU N N 15 128.15 0.3 . 1 . . . . 252 LEU N . 17210 1 1089 . 1 1 253 253 ARG H H 1 8.055 0.03 . 1 . . . . 253 ARG H . 17210 1 1090 . 1 1 253 253 ARG C C 13 177.903 0.3 . 1 . . . . 253 ARG C . 17210 1 1091 . 1 1 253 253 ARG CA C 13 58.959 0.3 . 1 . . . . 253 ARG CA . 17210 1 1092 . 1 1 253 253 ARG CB C 13 29.809 0.3 . 1 . . . . 253 ARG CB . 17210 1 1093 . 1 1 253 253 ARG N N 15 115.26 0.3 . 1 . . . . 253 ARG N . 17210 1 1094 . 1 1 254 254 ASN H H 1 7.164 0.03 . 1 . . . . 254 ASN H . 17210 1 1095 . 1 1 254 254 ASN C C 13 173.701 0.3 . 1 . . . . 254 ASN C . 17210 1 1096 . 1 1 254 254 ASN CA C 13 53.149 0.3 . 1 . . . . 254 ASN CA . 17210 1 1097 . 1 1 254 254 ASN CB C 13 38.809 0.3 . 1 . . . . 254 ASN CB . 17210 1 1098 . 1 1 254 254 ASN N N 15 114.25 0.3 . 1 . . . . 254 ASN N . 17210 1 1099 . 1 1 255 255 ASP H H 1 7.905 0.03 . 1 . . . . 255 ASP H . 17210 1 1100 . 1 1 255 255 ASP C C 13 173.599 0.3 . 1 . . . . 255 ASP C . 17210 1 1101 . 1 1 255 255 ASP CA C 13 50.449 0.3 . 1 . . . . 255 ASP CA . 17210 1 1102 . 1 1 255 255 ASP CB C 13 42.209 0.3 . 1 . . . . 255 ASP CB . 17210 1 1103 . 1 1 255 255 ASP N N 15 122.541 0.3 . 1 . . . . 255 ASP N . 17210 1 1104 . 1 1 256 256 PRO C C 13 179.984 0.3 . 1 . . . . 256 PRO C . 17210 1 1105 . 1 1 256 256 PRO CA C 13 64.859 0.3 . 1 . . . . 256 PRO CA . 17210 1 1106 . 1 1 256 256 PRO CB C 13 32.206 0.3 . 1 . . . . 256 PRO CB . 17210 1 1107 . 1 1 257 257 LEU H H 1 7.628 0.03 . 1 . . . . 257 LEU H . 17210 1 1108 . 1 1 257 257 LEU C C 13 179.328 0.3 . 1 . . . . 257 LEU C . 17210 1 1109 . 1 1 257 257 LEU CA C 13 57.854 0.3 . 1 . . . . 257 LEU CA . 17210 1 1110 . 1 1 257 257 LEU CB C 13 41.018 0.3 . 1 . . . . 257 LEU CB . 17210 1 1111 . 1 1 257 257 LEU N N 15 120.5 0.3 . 1 . . . . 257 LEU N . 17210 1 1112 . 1 1 258 258 ALA H H 1 7.564 0.03 . 1 . . . . 258 ALA H . 17210 1 1113 . 1 1 258 258 ALA C C 13 180.67 0.3 . 1 . . . . 258 ALA C . 17210 1 1114 . 1 1 258 258 ALA CA C 13 54.979 0.3 . 1 . . . . 258 ALA CA . 17210 1 1115 . 1 1 258 258 ALA CB C 13 18.999 0.3 . 1 . . . . 258 ALA CB . 17210 1 1116 . 1 1 258 258 ALA N N 15 124.419 0.3 . 1 . . . . 258 ALA N . 17210 1 1117 . 1 1 259 259 MET H H 1 8.123 0.03 . 1 . . . . 259 MET H . 17210 1 1118 . 1 1 259 259 MET C C 13 180.254 0.3 . 1 . . . . 259 MET C . 17210 1 1119 . 1 1 259 259 MET CA C 13 56.089 0.3 . 1 . . . . 259 MET CA . 17210 1 1120 . 1 1 259 259 MET CB C 13 29.169 0.3 . 1 . . . . 259 MET CB . 17210 1 1121 . 1 1 259 259 MET N N 15 114.063 0.3 . 1 . . . . 259 MET N . 17210 1 1122 . 1 1 260 260 GLN H H 1 7.856 0.03 . 1 . . . . 260 GLN H . 17210 1 1123 . 1 1 260 260 GLN C C 13 179.262 0.3 . 1 . . . . 260 GLN C . 17210 1 1124 . 1 1 260 260 GLN CA C 13 59.241 0.3 . 1 . . . . 260 GLN CA . 17210 1 1125 . 1 1 260 260 GLN CB C 13 28.625 0.3 . 1 . . . . 260 GLN CB . 17210 1 1126 . 1 1 260 260 GLN N N 15 122.68 0.3 . 1 . . . . 260 GLN N . 17210 1 1127 . 1 1 261 261 ARG H H 1 7.953 0.03 . 1 . . . . 261 ARG H . 17210 1 1128 . 1 1 261 261 ARG C C 13 180.32 0.3 . 1 . . . . 261 ARG C . 17210 1 1129 . 1 1 261 261 ARG CA C 13 59.878 0.3 . 1 . . . . 261 ARG CA . 17210 1 1130 . 1 1 261 261 ARG CB C 13 30.989 0.3 . 1 . . . . 261 ARG CB . 17210 1 1131 . 1 1 261 261 ARG N N 15 120.478 0.3 . 1 . . . . 261 ARG N . 17210 1 1132 . 1 1 262 262 LEU H H 1 8.917 0.03 . 1 . . . . 262 LEU H . 17210 1 1133 . 1 1 262 262 LEU C C 13 177.749 0.3 . 1 . . . . 262 LEU C . 17210 1 1134 . 1 1 262 262 LEU CA C 13 57.722 0.3 . 1 . . . . 262 LEU CA . 17210 1 1135 . 1 1 262 262 LEU CB C 13 42.807 0.3 . 1 . . . . 262 LEU CB . 17210 1 1136 . 1 1 262 262 LEU N N 15 122.507 0.3 . 1 . . . . 262 LEU N . 17210 1 1137 . 1 1 263 263 LYS H H 1 8.043 0.03 . 1 . . . . 263 LYS H . 17210 1 1138 . 1 1 263 263 LYS C C 13 178.434 0.3 . 1 . . . . 263 LYS C . 17210 1 1139 . 1 1 263 263 LYS CA C 13 59.9 0.3 . 1 . . . . 263 LYS CA . 17210 1 1140 . 1 1 263 263 LYS CB C 13 31.874 0.3 . 1 . . . . 263 LYS CB . 17210 1 1141 . 1 1 263 263 LYS N N 15 121.548 0.3 . 1 . . . . 263 LYS N . 17210 1 1142 . 1 1 264 264 GLU H H 1 7.084 0.03 . 1 . . . . 264 GLU H . 17210 1 1143 . 1 1 264 264 GLU C C 13 179.085 0.3 . 1 . . . . 264 GLU C . 17210 1 1144 . 1 1 264 264 GLU CA C 13 58.934 0.3 . 1 . . . . 264 GLU CA . 17210 1 1145 . 1 1 264 264 GLU CB C 13 30.124 0.3 . 1 . . . . 264 GLU CB . 17210 1 1146 . 1 1 264 264 GLU N N 15 118.442 0.3 . 1 . . . . 264 GLU N . 17210 1 1147 . 1 1 265 265 ALA H H 1 8.014 0.03 . 1 . . . . 265 ALA H . 17210 1 1148 . 1 1 265 265 ALA C C 13 180.554 0.3 . 1 . . . . 265 ALA C . 17210 1 1149 . 1 1 265 265 ALA CA C 13 54.243 0.3 . 1 . . . . 265 ALA CA . 17210 1 1150 . 1 1 265 265 ALA CB C 13 19.812 0.3 . 1 . . . . 265 ALA CB . 17210 1 1151 . 1 1 265 265 ALA N N 15 121.671 0.3 . 1 . . . . 265 ALA N . 17210 1 1152 . 1 1 266 266 ALA H H 1 9.239 0.03 . 1 . . . . 266 ALA H . 17210 1 1153 . 1 1 266 266 ALA C C 13 178.394 0.3 . 1 . . . . 266 ALA C . 17210 1 1154 . 1 1 266 266 ALA CA C 13 55.379 0.3 . 1 . . . . 266 ALA CA . 17210 1 1155 . 1 1 266 266 ALA CB C 13 19.029 0.3 . 1 . . . . 266 ALA CB . 17210 1 1156 . 1 1 266 266 ALA N N 15 122.669 0.3 . 1 . . . . 266 ALA N . 17210 1 1157 . 1 1 267 267 GLU H H 1 7.466 0.03 . 1 . . . . 267 GLU H . 17210 1 1158 . 1 1 267 267 GLU C C 13 178.02 0.3 . 1 . . . . 267 GLU C . 17210 1 1159 . 1 1 267 267 GLU CA C 13 59.889 0.3 . 1 . . . . 267 GLU CA . 17210 1 1160 . 1 1 267 267 GLU CB C 13 28.524 0.3 . 1 . . . . 267 GLU CB . 17210 1 1161 . 1 1 267 267 GLU N N 15 118.966 0.3 . 1 . . . . 267 GLU N . 17210 1 1162 . 1 1 268 268 LYS H H 1 7.37 0.03 . 1 . . . . 268 LYS H . 17210 1 1163 . 1 1 268 268 LYS C C 13 178.598 0.3 . 1 . . . . 268 LYS C . 17210 1 1164 . 1 1 268 268 LYS CA C 13 59.759 0.3 . 1 . . . . 268 LYS CA . 17210 1 1165 . 1 1 268 268 LYS CB C 13 32.709 0.3 . 1 . . . . 268 LYS CB . 17210 1 1166 . 1 1 268 268 LYS N N 15 117.742 0.3 . 1 . . . . 268 LYS N . 17210 1 1167 . 1 1 269 269 ALA H H 1 8.009 0.03 . 1 . . . . 269 ALA H . 17210 1 1168 . 1 1 269 269 ALA C C 13 178.511 0.3 . 1 . . . . 269 ALA C . 17210 1 1169 . 1 1 269 269 ALA CA C 13 54.686 0.3 . 1 . . . . 269 ALA CA . 17210 1 1170 . 1 1 269 269 ALA CB C 13 17.876 0.3 . 1 . . . . 269 ALA CB . 17210 1 1171 . 1 1 269 269 ALA N N 15 122.037 0.3 . 1 . . . . 269 ALA N . 17210 1 1172 . 1 1 270 270 LYS H H 1 8.162 0.03 . 1 . . . . 270 LYS H . 17210 1 1173 . 1 1 270 270 LYS C C 13 178.889 0.3 . 1 . . . . 270 LYS C . 17210 1 1174 . 1 1 270 270 LYS CA C 13 60.359 0.3 . 1 . . . . 270 LYS CA . 17210 1 1175 . 1 1 270 270 LYS CB C 13 31.109 0.3 . 1 . . . . 270 LYS CB . 17210 1 1176 . 1 1 270 270 LYS N N 15 118.656 0.3 . 1 . . . . 270 LYS N . 17210 1 1177 . 1 1 271 271 ILE H H 1 7.817 0.03 . 1 . . . . 271 ILE H . 17210 1 1178 . 1 1 271 271 ILE CA C 13 66.113 0.3 . 1 . . . . 271 ILE CA . 17210 1 1179 . 1 1 271 271 ILE CB C 13 37.778 0.3 . 1 . . . . 271 ILE CB . 17210 1 1180 . 1 1 271 271 ILE N N 15 119.896 0.3 . 1 . . . . 271 ILE N . 17210 1 1181 . 1 1 274 274 SER C C 13 173.064 0.3 . 1 . . . . 274 SER C . 17210 1 1182 . 1 1 274 274 SER CA C 13 60.643 0.3 . 1 . . . . 274 SER CA . 17210 1 1183 . 1 1 274 274 SER CB C 13 62.463 0.3 . 1 . . . . 274 SER CB . 17210 1 1184 . 1 1 275 275 SER H H 1 7.758 0.03 . 1 . . . . 275 SER H . 17210 1 1185 . 1 1 275 275 SER C C 13 172.981 0.3 . 1 . . . . 275 SER C . 17210 1 1186 . 1 1 275 275 SER CA C 13 58.983 0.3 . 1 . . . . 275 SER CA . 17210 1 1187 . 1 1 275 275 SER CB C 13 64.677 0.3 . 1 . . . . 275 SER CB . 17210 1 1188 . 1 1 275 275 SER N N 15 113.205 0.3 . 1 . . . . 275 SER N . 17210 1 1189 . 1 1 276 276 ALA H H 1 8.233 0.03 . 1 . . . . 276 ALA H . 17210 1 1190 . 1 1 276 276 ALA CA C 13 51.279 0.3 . 1 . . . . 276 ALA CA . 17210 1 1191 . 1 1 276 276 ALA CB C 13 21.899 0.3 . 1 . . . . 276 ALA CB . 17210 1 1192 . 1 1 276 276 ALA N N 15 126.142 0.3 . 1 . . . . 276 ALA N . 17210 1 1193 . 1 1 277 277 GLN C C 13 176.409 0.3 . 1 . . . . 277 GLN C . 17210 1 1194 . 1 1 277 277 GLN CA C 13 56.577 0.3 . 1 . . . . 277 GLN CA . 17210 1 1195 . 1 1 277 277 GLN CB C 13 30.074 0.3 . 1 . . . . 277 GLN CB . 17210 1 1196 . 1 1 278 278 GLN H H 1 7.497 0.03 . 1 . . . . 278 GLN H . 17210 1 1197 . 1 1 278 278 GLN C C 13 172.499 0.3 . 1 . . . . 278 GLN C . 17210 1 1198 . 1 1 278 278 GLN CA C 13 55.389 0.3 . 1 . . . . 278 GLN CA . 17210 1 1199 . 1 1 278 278 GLN CB C 13 30.869 0.3 . 1 . . . . 278 GLN CB . 17210 1 1200 . 1 1 278 278 GLN N N 15 115.189 0.3 . 1 . . . . 278 GLN N . 17210 1 1201 . 1 1 279 279 THR H H 1 8.526 0.03 . 1 . . . . 279 THR H . 17210 1 1202 . 1 1 279 279 THR C C 13 170.121 0.3 . 1 . . . . 279 THR C . 17210 1 1203 . 1 1 279 279 THR CA C 13 60.729 0.3 . 1 . . . . 279 THR CA . 17210 1 1204 . 1 1 279 279 THR CB C 13 69.909 0.3 . 1 . . . . 279 THR CB . 17210 1 1205 . 1 1 279 279 THR N N 15 116.562 0.3 . 1 . . . . 279 THR N . 17210 1 1206 . 1 1 280 280 ASP H H 1 7.926 0.03 . 1 . . . . 280 ASP H . 17210 1 1207 . 1 1 280 280 ASP C C 13 175.737 0.3 . 1 . . . . 280 ASP C . 17210 1 1208 . 1 1 280 280 ASP CA C 13 53.549 0.3 . 1 . . . . 280 ASP CA . 17210 1 1209 . 1 1 280 280 ASP CB C 13 43.209 0.3 . 1 . . . . 280 ASP CB . 17210 1 1210 . 1 1 280 280 ASP N N 15 123.505 0.3 . 1 . . . . 280 ASP N . 17210 1 1211 . 1 1 281 281 VAL H H 1 9.244 0.03 . 1 . . . . 281 VAL H . 17210 1 1212 . 1 1 281 281 VAL C C 13 173.485 0.3 . 1 . . . . 281 VAL C . 17210 1 1213 . 1 1 281 281 VAL CA C 13 63.139 0.3 . 1 . . . . 281 VAL CA . 17210 1 1214 . 1 1 281 281 VAL CB C 13 31.099 0.3 . 1 . . . . 281 VAL CB . 17210 1 1215 . 1 1 281 281 VAL N N 15 126.596 0.3 . 1 . . . . 281 VAL N . 17210 1 1216 . 1 1 282 282 ASN H H 1 8.406 0.03 . 1 . . . . 282 ASN H . 17210 1 1217 . 1 1 282 282 ASN C C 13 174.109 0.3 . 1 . . . . 282 ASN C . 17210 1 1218 . 1 1 282 282 ASN CA C 13 51.749 0.3 . 1 . . . . 282 ASN CA . 17210 1 1219 . 1 1 282 282 ASN CB C 13 40.309 0.3 . 1 . . . . 282 ASN CB . 17210 1 1220 . 1 1 282 282 ASN N N 15 127.965 0.3 . 1 . . . . 282 ASN N . 17210 1 1221 . 1 1 283 283 LEU H H 1 8.834 0.03 . 1 . . . . 283 LEU H . 17210 1 1222 . 1 1 283 283 LEU C C 13 172.699 0.3 . 1 . . . . 283 LEU C . 17210 1 1223 . 1 1 283 283 LEU CA C 13 50.828 0.3 . 1 . . . . 283 LEU CA . 17210 1 1224 . 1 1 283 283 LEU CB C 13 44.559 0.3 . 1 . . . . 283 LEU CB . 17210 1 1225 . 1 1 283 283 LEU N N 15 124.966 0.3 . 1 . . . . 283 LEU N . 17210 1 1226 . 1 1 284 284 PRO C C 13 177.518 0.3 . 1 . . . . 284 PRO C . 17210 1 1227 . 1 1 284 284 PRO CA C 13 62.313 0.3 . 1 . . . . 284 PRO CA . 17210 1 1228 . 1 1 284 284 PRO CB C 13 32.759 0.3 . 1 . . . . 284 PRO CB . 17210 1 1229 . 1 1 285 285 TYR H H 1 11.969 0.03 . 1 . . . . 285 TYR H . 17210 1 1230 . 1 1 285 285 TYR C C 13 176.853 0.3 . 1 . . . . 285 TYR C . 17210 1 1231 . 1 1 285 285 TYR CA C 13 59.149 0.3 . 1 . . . . 285 TYR CA . 17210 1 1232 . 1 1 285 285 TYR CB C 13 34.909 0.3 . 1 . . . . 285 TYR CB . 17210 1 1233 . 1 1 285 285 TYR N N 15 126.975 0.3 . 1 . . . . 285 TYR N . 17210 1 1234 . 1 1 286 286 ILE H H 1 7.969 0.03 . 1 . . . . 286 ILE H . 17210 1 1235 . 1 1 286 286 ILE C C 13 174.016 0.3 . 1 . . . . 286 ILE C . 17210 1 1236 . 1 1 286 286 ILE CA C 13 60.169 0.3 . 1 . . . . 286 ILE CA . 17210 1 1237 . 1 1 286 286 ILE CB C 13 38.379 0.3 . 1 . . . . 286 ILE CB . 17210 1 1238 . 1 1 286 286 ILE N N 15 121.033 0.3 . 1 . . . . 286 ILE N . 17210 1 1239 . 1 1 287 287 THR H H 1 7.351 0.03 . 1 . . . . 287 THR H . 17210 1 1240 . 1 1 287 287 THR C C 13 171.681 0.3 . 1 . . . . 287 THR C . 17210 1 1241 . 1 1 287 287 THR CA C 13 60.929 0.3 . 1 . . . . 287 THR CA . 17210 1 1242 . 1 1 287 287 THR CB C 13 67.509 0.3 . 1 . . . . 287 THR CB . 17210 1 1243 . 1 1 287 287 THR N N 15 112.709 0.3 . 1 . . . . 287 THR N . 17210 1 1244 . 1 1 288 288 ALA H H 1 8.37 0.03 . 1 . . . . 288 ALA H . 17210 1 1245 . 1 1 288 288 ALA C C 13 175.606 0.3 . 1 . . . . 288 ALA C . 17210 1 1246 . 1 1 288 288 ALA CA C 13 52.379 0.3 . 1 . . . . 288 ALA CA . 17210 1 1247 . 1 1 288 288 ALA CB C 13 22.199 0.3 . 1 . . . . 288 ALA CB . 17210 1 1248 . 1 1 288 288 ALA N N 15 124.433 0.3 . 1 . . . . 288 ALA N . 17210 1 1249 . 1 1 289 289 ASP H H 1 8.019 0.03 . 1 . . . . 289 ASP H . 17210 1 1250 . 1 1 289 289 ASP C C 13 177.399 0.3 . 1 . . . . 289 ASP C . 17210 1 1251 . 1 1 289 289 ASP CA C 13 52.949 0.3 . 1 . . . . 289 ASP CA . 17210 1 1252 . 1 1 289 289 ASP CB C 13 42.109 0.3 . 1 . . . . 289 ASP CB . 17210 1 1253 . 1 1 289 289 ASP N N 15 122.7 0.3 . 1 . . . . 289 ASP N . 17210 1 1254 . 1 1 290 290 ALA C C 13 179.386 0.3 . 1 . . . . 290 ALA C . 17210 1 1255 . 1 1 290 290 ALA CA C 13 55.129 0.3 . 1 . . . . 290 ALA CA . 17210 1 1256 . 1 1 290 290 ALA CB C 13 18.832 0.3 . 1 . . . . 290 ALA CB . 17210 1 1257 . 1 1 291 291 THR H H 1 8.525 0.03 . 1 . . . . 291 THR H . 17210 1 1258 . 1 1 291 291 THR C C 13 174.892 0.3 . 1 . . . . 291 THR C . 17210 1 1259 . 1 1 291 291 THR CA C 13 62.929 0.3 . 1 . . . . 291 THR CA . 17210 1 1260 . 1 1 291 291 THR CB C 13 70.009 0.3 . 1 . . . . 291 THR CB . 17210 1 1261 . 1 1 291 291 THR N N 15 109.405 0.3 . 1 . . . . 291 THR N . 17210 1 1262 . 1 1 292 292 GLY H H 1 7.765 0.03 . 1 . . . . 292 GLY H . 17210 1 1263 . 1 1 292 292 GLY C C 13 171.199 0.3 . 1 . . . . 292 GLY C . 17210 1 1264 . 1 1 292 292 GLY CA C 13 44.489 0.3 . 1 . . . . 292 GLY CA . 17210 1 1265 . 1 1 292 292 GLY N N 15 111.772 0.3 . 1 . . . . 292 GLY N . 17210 1 1266 . 1 1 293 293 PRO C C 13 175.826 0.3 . 1 . . . . 293 PRO C . 17210 1 1267 . 1 1 293 293 PRO CA C 13 62.535 0.3 . 1 . . . . 293 PRO CA . 17210 1 1268 . 1 1 293 293 PRO CB C 13 33.645 0.3 . 1 . . . . 293 PRO CB . 17210 1 1269 . 1 1 294 294 LYS H H 1 8.123 0.03 . 1 . . . . 294 LYS H . 17210 1 1270 . 1 1 294 294 LYS C C 13 174.109 0.3 . 1 . . . . 294 LYS C . 17210 1 1271 . 1 1 294 294 LYS CA C 13 52.959 0.3 . 1 . . . . 294 LYS CA . 17210 1 1272 . 1 1 294 294 LYS CB C 13 35.309 0.3 . 1 . . . . 294 LYS CB . 17210 1 1273 . 1 1 294 294 LYS N N 15 119.015 0.3 . 1 . . . . 294 LYS N . 17210 1 1274 . 1 1 295 295 HIS H H 1 8.46 0.03 . 1 . . . . 295 HIS H . 17210 1 1275 . 1 1 295 295 HIS C C 13 174.892 0.3 . 1 . . . . 295 HIS C . 17210 1 1276 . 1 1 295 295 HIS CA C 13 54.349 0.3 . 1 . . . . 295 HIS CA . 17210 1 1277 . 1 1 295 295 HIS CB C 13 33.709 0.3 . 1 . . . . 295 HIS CB . 17210 1 1278 . 1 1 295 295 HIS N N 15 120.091 0.3 . 1 . . . . 295 HIS N . 17210 1 1279 . 1 1 296 296 MET H H 1 8.119 0.03 . 1 . . . . 296 MET H . 17210 1 1280 . 1 1 296 296 MET C C 13 175.184 0.3 . 1 . . . . 296 MET C . 17210 1 1281 . 1 1 296 296 MET CA C 13 54.789 0.3 . 1 . . . . 296 MET CA . 17210 1 1282 . 1 1 296 296 MET CB C 13 35.569 0.3 . 1 . . . . 296 MET CB . 17210 1 1283 . 1 1 296 296 MET N N 15 123.519 0.3 . 1 . . . . 296 MET N . 17210 1 1284 . 1 1 297 297 ASN H H 1 9.289 0.03 . 1 . . . . 297 ASN H . 17210 1 1285 . 1 1 297 297 ASN C C 13 173.331 0.3 . 1 . . . . 297 ASN C . 17210 1 1286 . 1 1 297 297 ASN CA C 13 54.049 0.3 . 1 . . . . 297 ASN CA . 17210 1 1287 . 1 1 297 297 ASN CB C 13 39.709 0.3 . 1 . . . . 297 ASN CB . 17210 1 1288 . 1 1 297 297 ASN N N 15 129.791 0.3 . 1 . . . . 297 ASN N . 17210 1 1289 . 1 1 298 298 ILE H H 1 8.439 0.03 . 1 . . . . 298 ILE H . 17210 1 1290 . 1 1 298 298 ILE C C 13 173.798 0.3 . 1 . . . . 298 ILE C . 17210 1 1291 . 1 1 298 298 ILE CA C 13 60.869 0.3 . 1 . . . . 298 ILE CA . 17210 1 1292 . 1 1 298 298 ILE CB C 13 42.879 0.3 . 1 . . . . 298 ILE CB . 17210 1 1293 . 1 1 298 298 ILE N N 15 125.357 0.3 . 1 . . . . 298 ILE N . 17210 1 1294 . 1 1 299 299 LYS H H 1 8.53 0.03 . 1 . . . . 299 LYS H . 17210 1 1295 . 1 1 299 299 LYS C C 13 176.176 0.3 . 1 . . . . 299 LYS C . 17210 1 1296 . 1 1 299 299 LYS CA C 13 55.859 0.3 . 1 . . . . 299 LYS CA . 17210 1 1297 . 1 1 299 299 LYS CB C 13 32.809 0.3 . 1 . . . . 299 LYS CB . 17210 1 1298 . 1 1 299 299 LYS N N 15 130.141 0.3 . 1 . . . . 299 LYS N . 17210 1 1299 . 1 1 300 300 VAL H H 1 9.034 0.03 . 1 . . . . 300 VAL H . 17210 1 1300 . 1 1 300 300 VAL C C 13 175.242 0.3 . 1 . . . . 300 VAL C . 17210 1 1301 . 1 1 300 300 VAL CA C 13 61.739 0.3 . 1 . . . . 300 VAL CA . 17210 1 1302 . 1 1 300 300 VAL CB C 13 34.299 0.3 . 1 . . . . 300 VAL CB . 17210 1 1303 . 1 1 300 300 VAL N N 15 127.093 0.3 . 1 . . . . 300 VAL N . 17210 1 1304 . 1 1 301 301 THR H H 1 7.756 0.03 . 1 . . . . 301 THR H . 17210 1 1305 . 1 1 301 301 THR C C 13 175.024 0.3 . 1 . . . . 301 THR C . 17210 1 1306 . 1 1 301 301 THR CA C 13 60.029 0.3 . 1 . . . . 301 THR CA . 17210 1 1307 . 1 1 301 301 THR CB C 13 70.92 0.3 . 1 . . . . 301 THR CB . 17210 1 1308 . 1 1 301 301 THR N N 15 116.155 0.3 . 1 . . . . 301 THR N . 17210 1 1309 . 1 1 302 302 ARG H H 1 8.75 0.03 . 1 . . . . 302 ARG H . 17210 1 1310 . 1 1 302 302 ARG C C 13 177.46 0.3 . 1 . . . . 302 ARG C . 17210 1 1311 . 1 1 302 302 ARG CA C 13 60.259 0.3 . 1 . . . . 302 ARG CA . 17210 1 1312 . 1 1 302 302 ARG CB C 13 30.009 0.3 . 1 . . . . 302 ARG CB . 17210 1 1313 . 1 1 302 302 ARG N N 15 123.873 0.3 . 1 . . . . 302 ARG N . 17210 1 1314 . 1 1 303 303 ALA H H 1 8.418 0.03 . 1 . . . . 303 ALA H . 17210 1 1315 . 1 1 303 303 ALA C C 13 180.612 0.3 . 1 . . . . 303 ALA C . 17210 1 1316 . 1 1 303 303 ALA CA C 13 55.379 0.3 . 1 . . . . 303 ALA CA . 17210 1 1317 . 1 1 303 303 ALA CB C 13 18.199 0.3 . 1 . . . . 303 ALA CB . 17210 1 1318 . 1 1 303 303 ALA N N 15 120.77 0.3 . 1 . . . . 303 ALA N . 17210 1 1319 . 1 1 304 304 LYS H H 1 7.971 0.03 . 1 . . . . 304 LYS H . 17210 1 1320 . 1 1 304 304 LYS C C 13 178.995 0.3 . 1 . . . . 304 LYS C . 17210 1 1321 . 1 1 304 304 LYS CA C 13 57.359 0.3 . 1 . . . . 304 LYS CA . 17210 1 1322 . 1 1 304 304 LYS CB C 13 30.309 0.3 . 1 . . . . 304 LYS CB . 17210 1 1323 . 1 1 304 304 LYS N N 15 120.914 0.3 . 1 . . . . 304 LYS N . 17210 1 1324 . 1 1 305 305 LEU H H 1 7.91 0.03 . 1 . . . . 305 LEU H . 17210 1 1325 . 1 1 305 305 LEU C C 13 178.132 0.3 . 1 . . . . 305 LEU C . 17210 1 1326 . 1 1 305 305 LEU CA C 13 58.859 0.3 . 1 . . . . 305 LEU CA . 17210 1 1327 . 1 1 305 305 LEU CB C 13 41.73 0.3 . 1 . . . . 305 LEU CB . 17210 1 1328 . 1 1 305 305 LEU N N 15 121.086 0.3 . 1 . . . . 305 LEU N . 17210 1 1329 . 1 1 306 306 GLU H H 1 8.79 0.03 . 1 . . . . 306 GLU H . 17210 1 1330 . 1 1 306 306 GLU C C 13 178.531 0.3 . 1 . . . . 306 GLU C . 17210 1 1331 . 1 1 306 306 GLU CA C 13 60.399 0.3 . 1 . . . . 306 GLU CA . 17210 1 1332 . 1 1 306 306 GLU CB C 13 28.85 0.3 . 1 . . . . 306 GLU CB . 17210 1 1333 . 1 1 306 306 GLU N N 15 117.053 0.3 . 1 . . . . 306 GLU N . 17210 1 1334 . 1 1 307 307 SER H H 1 7.646 0.03 . 1 . . . . 307 SER H . 17210 1 1335 . 1 1 307 307 SER CA C 13 61.219 0.3 . 1 . . . . 307 SER CA . 17210 1 1336 . 1 1 307 307 SER CB C 13 63.287 0.3 . 1 . . . . 307 SER CB . 17210 1 1337 . 1 1 307 307 SER N N 15 113.443 0.3 . 1 . . . . 307 SER N . 17210 1 1338 . 1 1 308 308 LEU C C 13 179.153 0.3 . 1 . . . . 308 LEU C . 17210 1 1339 . 1 1 308 308 LEU CA C 13 56.84 0.3 . 1 . . . . 308 LEU CA . 17210 1 1340 . 1 1 308 308 LEU CB C 13 43.756 0.3 . 1 . . . . 308 LEU CB . 17210 1 1341 . 1 1 309 309 VAL H H 1 7.383 0.03 . 1 . . . . 309 VAL H . 17210 1 1342 . 1 1 309 309 VAL C C 13 176.686 0.3 . 1 . . . . 309 VAL C . 17210 1 1343 . 1 1 309 309 VAL CA C 13 60.439 0.3 . 1 . . . . 309 VAL CA . 17210 1 1344 . 1 1 309 309 VAL CB C 13 32.699 0.3 . 1 . . . . 309 VAL CB . 17210 1 1345 . 1 1 309 309 VAL N N 15 106.505 0.3 . 1 . . . . 309 VAL N . 17210 1 1346 . 1 1 310 310 GLU H H 1 7.654 0.03 . 1 . . . . 310 GLU H . 17210 1 1347 . 1 1 310 310 GLU C C 13 177.067 0.3 . 1 . . . . 310 GLU C . 17210 1 1348 . 1 1 310 310 GLU CA C 13 61.189 0.3 . 1 . . . . 310 GLU CA . 17210 1 1349 . 1 1 310 310 GLU CB C 13 28.816 0.3 . 1 . . . . 310 GLU CB . 17210 1 1350 . 1 1 310 310 GLU N N 15 126.978 0.3 . 1 . . . . 310 GLU N . 17210 1 1351 . 1 1 311 311 ASP H H 1 8.689 0.03 . 1 . . . . 311 ASP H . 17210 1 1352 . 1 1 311 311 ASP C C 13 178.598 0.3 . 1 . . . . 311 ASP C . 17210 1 1353 . 1 1 311 311 ASP CA C 13 56.849 0.3 . 1 . . . . 311 ASP CA . 17210 1 1354 . 1 1 311 311 ASP CB C 13 39.409 0.3 . 1 . . . . 311 ASP CB . 17210 1 1355 . 1 1 311 311 ASP N N 15 115.029 0.3 . 1 . . . . 311 ASP N . 17210 1 1356 . 1 1 312 312 LEU H H 1 7.134 0.03 . 1 . . . . 312 LEU H . 17210 1 1357 . 1 1 312 312 LEU C C 13 178.044 0.3 . 1 . . . . 312 LEU C . 17210 1 1358 . 1 1 312 312 LEU CA C 13 57.419 0.3 . 1 . . . . 312 LEU CA . 17210 1 1359 . 1 1 312 312 LEU CB C 13 41.659 0.3 . 1 . . . . 312 LEU CB . 17210 1 1360 . 1 1 312 312 LEU N N 15 122.102 0.3 . 1 . . . . 312 LEU N . 17210 1 1361 . 1 1 313 313 VAL H H 1 7.236 0.03 . 1 . . . . 313 VAL H . 17210 1 1362 . 1 1 313 313 VAL C C 13 180.437 0.3 . 1 . . . . 313 VAL C . 17210 1 1363 . 1 1 313 313 VAL CA C 13 67.239 0.3 . 1 . . . . 313 VAL CA . 17210 1 1364 . 1 1 313 313 VAL CB C 13 31.499 0.3 . 1 . . . . 313 VAL CB . 17210 1 1365 . 1 1 313 313 VAL N N 15 117.536 0.3 . 1 . . . . 313 VAL N . 17210 1 1366 . 1 1 314 314 ASN H H 1 8.565 0.03 . 1 . . . . 314 ASN H . 17210 1 1367 . 1 1 314 314 ASN C C 13 178.686 0.3 . 1 . . . . 314 ASN C . 17210 1 1368 . 1 1 314 314 ASN CA C 13 56.149 0.3 . 1 . . . . 314 ASN CA . 17210 1 1369 . 1 1 314 314 ASN CB C 13 37.309 0.3 . 1 . . . . 314 ASN CB . 17210 1 1370 . 1 1 314 314 ASN N N 15 121.247 0.3 . 1 . . . . 314 ASN N . 17210 1 1371 . 1 1 315 315 ARG H H 1 7.882 0.03 . 1 . . . . 315 ARG H . 17210 1 1372 . 1 1 315 315 ARG C C 13 177.985 0.3 . 1 . . . . 315 ARG C . 17210 1 1373 . 1 1 315 315 ARG CA C 13 59.259 0.3 . 1 . . . . 315 ARG CA . 17210 1 1374 . 1 1 315 315 ARG CB C 13 30.409 0.3 . 1 . . . . 315 ARG CB . 17210 1 1375 . 1 1 315 315 ARG N N 15 122.892 0.3 . 1 . . . . 315 ARG N . 17210 1 1376 . 1 1 316 316 SER H H 1 7.322 0.03 . 1 . . . . 316 SER H . 17210 1 1377 . 1 1 316 316 SER C C 13 172.207 0.3 . 1 . . . . 316 SER C . 17210 1 1378 . 1 1 316 316 SER CA C 13 60.149 0.3 . 1 . . . . 316 SER CA . 17210 1 1379 . 1 1 316 316 SER CB C 13 62.909 0.3 . 1 . . . . 316 SER CB . 17210 1 1380 . 1 1 316 316 SER N N 15 115.379 0.3 . 1 . . . . 316 SER N . 17210 1 1381 . 1 1 317 317 ILE H H 1 7.02 0.03 . 1 . . . . 317 ILE H . 17210 1 1382 . 1 1 317 317 ILE C C 13 178.176 0.3 . 1 . . . . 317 ILE C . 17210 1 1383 . 1 1 317 317 ILE CA C 13 61.069 0.3 . 1 . . . . 317 ILE CA . 17210 1 1384 . 1 1 317 317 ILE CB C 13 36.079 0.3 . 1 . . . . 317 ILE CB . 17210 1 1385 . 1 1 317 317 ILE N N 15 119.838 0.3 . 1 . . . . 317 ILE N . 17210 1 1386 . 1 1 318 318 GLU H H 1 7.298 0.03 . 1 . . . . 318 GLU H . 17210 1 1387 . 1 1 318 318 GLU CA C 13 61.289 0.3 . 1 . . . . 318 GLU CA . 17210 1 1388 . 1 1 318 318 GLU CB C 13 26.669 0.3 . 1 . . . . 318 GLU CB . 17210 1 1389 . 1 1 318 318 GLU N N 15 119.35 0.3 . 1 . . . . 318 GLU N . 17210 1 1390 . 1 1 319 319 PRO C C 13 180.073 0.3 . 1 . . . . 319 PRO C . 17210 1 1391 . 1 1 320 320 LEU H H 1 7.645 0.03 . 1 . . . . 320 LEU H . 17210 1 1392 . 1 1 320 320 LEU C C 13 177.885 0.3 . 1 . . . . 320 LEU C . 17210 1 1393 . 1 1 320 320 LEU CA C 13 58.571 0.3 . 1 . . . . 320 LEU CA . 17210 1 1394 . 1 1 320 320 LEU N N 15 117.941 0.3 . 1 . . . . 320 LEU N . 17210 1 1395 . 1 1 321 321 LYS H H 1 7.528 0.03 . 1 . . . . 321 LYS H . 17210 1 1396 . 1 1 321 321 LYS C C 13 180.079 0.3 . 1 . . . . 321 LYS C . 17210 1 1397 . 1 1 321 321 LYS CA C 13 60.071 0.3 . 1 . . . . 321 LYS CA . 17210 1 1398 . 1 1 321 321 LYS CB C 13 32.587 0.3 . 1 . . . . 321 LYS CB . 17210 1 1399 . 1 1 321 321 LYS N N 15 117.841 0.3 . 1 . . . . 321 LYS N . 17210 1 1400 . 1 1 322 322 VAL H H 1 7.328 0.03 . 1 . . . . 322 VAL H . 17210 1 1401 . 1 1 322 322 VAL C C 13 177.089 0.3 . 1 . . . . 322 VAL C . 17210 1 1402 . 1 1 322 322 VAL CA C 13 66.512 0.3 . 1 . . . . 322 VAL CA . 17210 1 1403 . 1 1 322 322 VAL CB C 13 32.002 0.3 . 1 . . . . 322 VAL CB . 17210 1 1404 . 1 1 322 322 VAL N N 15 120.35 0.3 . 1 . . . . 322 VAL N . 17210 1 1405 . 1 1 323 323 ALA H H 1 8.152 0.03 . 1 . . . . 323 ALA H . 17210 1 1406 . 1 1 323 323 ALA C C 13 179.579 0.3 . 1 . . . . 323 ALA C . 17210 1 1407 . 1 1 323 323 ALA CA C 13 55.074 0.3 . 1 . . . . 323 ALA CA . 17210 1 1408 . 1 1 323 323 ALA CB C 13 17.457 0.3 . 1 . . . . 323 ALA CB . 17210 1 1409 . 1 1 323 323 ALA N N 15 122.791 0.3 . 1 . . . . 323 ALA N . 17210 1 1410 . 1 1 324 324 LEU H H 1 7.742 0.03 . 1 . . . . 324 LEU H . 17210 1 1411 . 1 1 324 324 LEU C C 13 178.783 0.3 . 1 . . . . 324 LEU C . 17210 1 1412 . 1 1 324 324 LEU CA C 13 58.819 0.3 . 1 . . . . 324 LEU CA . 17210 1 1413 . 1 1 324 324 LEU CB C 13 40.975 0.3 . 1 . . . . 324 LEU CB . 17210 1 1414 . 1 1 324 324 LEU N N 15 115.921 0.3 . 1 . . . . 324 LEU N . 17210 1 1415 . 1 1 325 325 GLN H H 1 7.635 0.03 . 1 . . . . 325 GLN H . 17210 1 1416 . 1 1 325 325 GLN CA C 13 59.128 0.3 . 1 . . . . 325 GLN CA . 17210 1 1417 . 1 1 325 325 GLN CB C 13 28.475 0.3 . 1 . . . . 325 GLN CB . 17210 1 1418 . 1 1 325 325 GLN N N 15 119.345 0.3 . 1 . . . . 325 GLN N . 17210 1 1419 . 1 1 326 326 ASP C C 13 178.336 0.3 . 1 . . . . 326 ASP C . 17210 1 1420 . 1 1 327 327 ALA H H 1 7.881 0.03 . 1 . . . . 327 ALA H . 17210 1 1421 . 1 1 327 327 ALA C C 13 176.794 0.3 . 1 . . . . 327 ALA C . 17210 1 1422 . 1 1 327 327 ALA CA C 13 52.089 0.3 . 1 . . . . 327 ALA CA . 17210 1 1423 . 1 1 327 327 ALA CB C 13 19.194 0.3 . 1 . . . . 327 ALA CB . 17210 1 1424 . 1 1 327 327 ALA N N 15 120.279 0.3 . 1 . . . . 327 ALA N . 17210 1 1425 . 1 1 328 328 GLY H H 1 7.892 0.03 . 1 . . . . 328 GLY H . 17210 1 1426 . 1 1 328 328 GLY C C 13 174.6 0.3 . 1 . . . . 328 GLY C . 17210 1 1427 . 1 1 328 328 GLY CA C 13 45.989 0.3 . 1 . . . . 328 GLY CA . 17210 1 1428 . 1 1 328 328 GLY N N 15 109.299 0.3 . 1 . . . . 328 GLY N . 17210 1 1429 . 1 1 329 329 LEU H H 1 7.907 0.03 . 1 . . . . 329 LEU H . 17210 1 1430 . 1 1 329 329 LEU C C 13 175.684 0.3 . 1 . . . . 329 LEU C . 17210 1 1431 . 1 1 329 329 LEU CA C 13 53.419 0.3 . 1 . . . . 329 LEU CA . 17210 1 1432 . 1 1 329 329 LEU CB C 13 46.359 0.3 . 1 . . . . 329 LEU CB . 17210 1 1433 . 1 1 329 329 LEU N N 15 119.374 0.3 . 1 . . . . 329 LEU N . 17210 1 1434 . 1 1 330 330 SER H H 1 9.202 0.03 . 1 . . . . 330 SER H . 17210 1 1435 . 1 1 330 330 SER C C 13 176.425 0.3 . 1 . . . . 330 SER C . 17210 1 1436 . 1 1 330 330 SER CA C 13 56.749 0.3 . 1 . . . . 330 SER CA . 17210 1 1437 . 1 1 330 330 SER CB C 13 66.209 0.3 . 1 . . . . 330 SER CB . 17210 1 1438 . 1 1 330 330 SER N N 15 116.589 0.3 . 1 . . . . 330 SER N . 17210 1 1439 . 1 1 331 331 VAL H H 1 8.672 0.03 . 1 . . . . 331 VAL H . 17210 1 1440 . 1 1 331 331 VAL C C 13 178.219 0.3 . 1 . . . . 331 VAL C . 17210 1 1441 . 1 1 331 331 VAL CA C 13 66.748 0.3 . 1 . . . . 331 VAL CA . 17210 1 1442 . 1 1 331 331 VAL CB C 13 31.699 0.3 . 1 . . . . 331 VAL CB . 17210 1 1443 . 1 1 331 331 VAL N N 15 119.215 0.3 . 1 . . . . 331 VAL N . 17210 1 1444 . 1 1 332 332 SER H H 1 7.653 0.03 . 1 . . . . 332 SER H . 17210 1 1445 . 1 1 332 332 SER C C 13 174.966 0.3 . 1 . . . . 332 SER C . 17210 1 1446 . 1 1 332 332 SER CA C 13 60.149 0.3 . 1 . . . . 332 SER CA . 17210 1 1447 . 1 1 332 332 SER CB C 13 62.909 0.3 . 1 . . . . 332 SER CB . 17210 1 1448 . 1 1 332 332 SER N N 15 113.97 0.3 . 1 . . . . 332 SER N . 17210 1 1449 . 1 1 333 333 ASP H H 1 7.71 0.03 . 1 . . . . 333 ASP H . 17210 1 1450 . 1 1 333 333 ASP C C 13 174.82 0.3 . 1 . . . . 333 ASP C . 17210 1 1451 . 1 1 333 333 ASP CA C 13 55.749 0.3 . 1 . . . . 333 ASP CA . 17210 1 1452 . 1 1 333 333 ASP CB C 13 43.407 0.3 . 1 . . . . 333 ASP CB . 17210 1 1453 . 1 1 333 333 ASP N N 15 120.302 0.3 . 1 . . . . 333 ASP N . 17210 1 1454 . 1 1 334 334 ILE H H 1 7.089 0.03 . 1 . . . . 334 ILE H . 17210 1 1455 . 1 1 334 334 ILE C C 13 175.102 0.3 . 1 . . . . 334 ILE C . 17210 1 1456 . 1 1 334 334 ILE CA C 13 58.056 0.3 . 1 . . . . 334 ILE CA . 17210 1 1457 . 1 1 334 334 ILE CB C 13 35.37 0.3 . 1 . . . . 334 ILE CB . 17210 1 1458 . 1 1 334 334 ILE N N 15 119.187 0.3 . 1 . . . . 334 ILE N . 17210 1 1459 . 1 1 335 335 ASP H H 1 9.054 0.03 . 1 . . . . 335 ASP H . 17210 1 1460 . 1 1 335 335 ASP C C 13 175.627 0.3 . 1 . . . . 335 ASP C . 17210 1 1461 . 1 1 335 335 ASP CA C 13 57.549 0.3 . 1 . . . . 335 ASP CA . 17210 1 1462 . 1 1 335 335 ASP CB C 13 43.122 0.3 . 1 . . . . 335 ASP CB . 17210 1 1463 . 1 1 335 335 ASP N N 15 127.649 0.3 . 1 . . . . 335 ASP N . 17210 1 1464 . 1 1 336 336 ASP H H 1 7.095 0.03 . 1 . . . . 336 ASP H . 17210 1 1465 . 1 1 336 336 ASP C C 13 173.024 0.3 . 1 . . . . 336 ASP C . 17210 1 1466 . 1 1 336 336 ASP CA C 13 53.349 0.3 . 1 . . . . 336 ASP CA . 17210 1 1467 . 1 1 336 336 ASP CB C 13 46.509 0.3 . 1 . . . . 336 ASP CB . 17210 1 1468 . 1 1 336 336 ASP N N 15 115.12 0.3 . 1 . . . . 336 ASP N . 17210 1 1469 . 1 1 337 337 VAL H H 1 8.928 0.03 . 1 . . . . 337 VAL H . 17210 1 1470 . 1 1 337 337 VAL CA C 13 60.509 0.3 . 1 . . . . 337 VAL CA . 17210 1 1471 . 1 1 337 337 VAL CB C 13 33.599 0.3 . 1 . . . . 337 VAL CB . 17210 1 1472 . 1 1 337 337 VAL N N 15 121.875 0.3 . 1 . . . . 337 VAL N . 17210 1 1473 . 1 1 338 338 ILE C C 13 173.728 0.3 . 1 . . . . 338 ILE C . 17210 1 1474 . 1 1 338 338 ILE CA C 13 58.949 0.3 . 1 . . . . 338 ILE CA . 17210 1 1475 . 1 1 338 338 ILE CB C 13 39.57 0.3 . 1 . . . . 338 ILE CB . 17210 1 1476 . 1 1 339 339 LEU H H 1 8.765 0.03 . 1 . . . . 339 LEU H . 17210 1 1477 . 1 1 339 339 LEU C C 13 175.318 0.3 . 1 . . . . 339 LEU C . 17210 1 1478 . 1 1 339 339 LEU CA C 13 53.741 0.3 . 1 . . . . 339 LEU CA . 17210 1 1479 . 1 1 339 339 LEU CB C 13 41.325 0.3 . 1 . . . . 339 LEU CB . 17210 1 1480 . 1 1 339 339 LEU N N 15 126.747 0.3 . 1 . . . . 339 LEU N . 17210 1 1481 . 1 1 340 340 VAL H H 1 9.551 0.03 . 1 . . . . 340 VAL H . 17210 1 1482 . 1 1 340 340 VAL C C 13 172.382 0.3 . 1 . . . . 340 VAL C . 17210 1 1483 . 1 1 340 340 VAL CA C 13 61.14 0.3 . 1 . . . . 340 VAL CA . 17210 1 1484 . 1 1 340 340 VAL CB C 13 35.337 0.3 . 1 . . . . 340 VAL CB . 17210 1 1485 . 1 1 340 340 VAL N N 15 124.476 0.3 . 1 . . . . 340 VAL N . 17210 1 1486 . 1 1 341 341 GLY H H 1 7.733 0.03 . 1 . . . . 341 GLY H . 17210 1 1487 . 1 1 341 341 GLY C C 13 177.343 0.3 . 1 . . . . 341 GLY C . 17210 1 1488 . 1 1 341 341 GLY CA C 13 42.005 0.3 . 1 . . . . 341 GLY CA . 17210 1 1489 . 1 1 341 341 GLY N N 15 109.979 0.3 . 1 . . . . 341 GLY N . 17210 1 1490 . 1 1 342 342 GLY H H 1 9.379 0.03 . 1 . . . . 342 GLY H . 17210 1 1491 . 1 1 342 342 GLY C C 13 174.081 0.3 . 1 . . . . 342 GLY C . 17210 1 1492 . 1 1 342 342 GLY CA C 13 47. 0.3 . 1 . . . . 342 GLY CA . 17210 1 1493 . 1 1 342 342 GLY N N 15 116.438 0.3 . 1 . . . . 342 GLY N . 17210 1 1494 . 1 1 343 343 GLN H H 1 6.619 0.03 . 1 . . . . 343 GLN H . 17210 1 1495 . 1 1 343 343 GLN C C 13 178.336 0.3 . 1 . . . . 343 GLN C . 17210 1 1496 . 1 1 343 343 GLN CA C 13 55.273 0.3 . 1 . . . . 343 GLN CA . 17210 1 1497 . 1 1 343 343 GLN CB C 13 29.869 0.3 . 1 . . . . 343 GLN CB . 17210 1 1498 . 1 1 343 343 GLN N N 15 116.218 0.3 . 1 . . . . 343 GLN N . 17210 1 1499 . 1 1 344 344 THR H H 1 7.627 0.03 . 1 . . . . 344 THR H . 17210 1 1500 . 1 1 344 344 THR C C 13 173.491 0.3 . 1 . . . . 344 THR C . 17210 1 1501 . 1 1 344 344 THR CA C 13 63.785 0.3 . 1 . . . . 344 THR CA . 17210 1 1502 . 1 1 344 344 THR CB C 13 69.609 0.3 . 1 . . . . 344 THR CB . 17210 1 1503 . 1 1 344 344 THR N N 15 109.348 0.3 . 1 . . . . 344 THR N . 17210 1 1504 . 1 1 345 345 ARG H H 1 6.814 0.03 . 1 . . . . 345 ARG H . 17210 1 1505 . 1 1 345 345 ARG C C 13 176.66 0.3 . 1 . . . . 345 ARG C . 17210 1 1506 . 1 1 345 345 ARG CA C 13 57.559 0.3 . 1 . . . . 345 ARG CA . 17210 1 1507 . 1 1 345 345 ARG CB C 13 30.123 0.3 . 1 . . . . 345 ARG CB . 17210 1 1508 . 1 1 345 345 ARG N N 15 117.543 0.3 . 1 . . . . 345 ARG N . 17210 1 1509 . 1 1 346 346 MET H H 1 6.808 0.03 . 1 . . . . 346 MET H . 17210 1 1510 . 1 1 346 346 MET C C 13 174.999 0.3 . 1 . . . . 346 MET C . 17210 1 1511 . 1 1 346 346 MET CA C 13 54.589 0.3 . 1 . . . . 346 MET CA . 17210 1 1512 . 1 1 346 346 MET CB C 13 33.369 0.3 . 1 . . . . 346 MET CB . 17210 1 1513 . 1 1 346 346 MET N N 15 119.379 0.3 . 1 . . . . 346 MET N . 17210 1 1514 . 1 1 347 347 PRO C C 13 178.919 0.3 . 1 . . . . 347 PRO C . 17210 1 1515 . 1 1 347 347 PRO CA C 13 66.851 0.3 . 1 . . . . 347 PRO CA . 17210 1 1516 . 1 1 347 347 PRO CB C 13 31.653 0.3 . 1 . . . . 347 PRO CB . 17210 1 1517 . 1 1 348 348 MET H H 1 9.24 0.03 . 1 . . . . 348 MET H . 17210 1 1518 . 1 1 348 348 MET C C 13 178.526 0.3 . 1 . . . . 348 MET C . 17210 1 1519 . 1 1 348 348 MET CA C 13 60.089 0.3 . 1 . . . . 348 MET CA . 17210 1 1520 . 1 1 348 348 MET CB C 13 33.569 0.3 . 1 . . . . 348 MET CB . 17210 1 1521 . 1 1 348 348 MET N N 15 117.244 0.3 . 1 . . . . 348 MET N . 17210 1 1522 . 1 1 349 349 VAL H H 1 7.103 0.03 . 1 . . . . 349 VAL H . 17210 1 1523 . 1 1 349 349 VAL C C 13 176.468 0.3 . 1 . . . . 349 VAL C . 17210 1 1524 . 1 1 349 349 VAL CA C 13 67.039 0.3 . 1 . . . . 349 VAL CA . 17210 1 1525 . 1 1 349 349 VAL CB C 13 31.699 0.3 . 1 . . . . 349 VAL CB . 17210 1 1526 . 1 1 349 349 VAL N N 15 117.99 0.3 . 1 . . . . 349 VAL N . 17210 1 1527 . 1 1 350 350 GLN H H 1 6.984 0.03 . 1 . . . . 350 GLN H . 17210 1 1528 . 1 1 350 350 GLN C C 13 178.511 0.3 . 1 . . . . 350 GLN C . 17210 1 1529 . 1 1 350 350 GLN CA C 13 60.289 0.3 . 1 . . . . 350 GLN CA . 17210 1 1530 . 1 1 350 350 GLN CB C 13 27.269 0.3 . 1 . . . . 350 GLN CB . 17210 1 1531 . 1 1 350 350 GLN N N 15 116.74 0.3 . 1 . . . . 350 GLN N . 17210 1 1532 . 1 1 351 351 LYS H H 1 8.35 0.03 . 1 . . . . 351 LYS H . 17210 1 1533 . 1 1 351 351 LYS C C 13 178.871 0.3 . 1 . . . . 351 LYS C . 17210 1 1534 . 1 1 351 351 LYS CA C 13 59.159 0.3 . 1 . . . . 351 LYS CA . 17210 1 1535 . 1 1 351 351 LYS CB C 13 32.909 0.3 . 1 . . . . 351 LYS CB . 17210 1 1536 . 1 1 351 351 LYS N N 15 118.825 0.3 . 1 . . . . 351 LYS N . 17210 1 1537 . 1 1 352 352 LYS H H 1 8.019 0.03 . 1 . . . . 352 LYS H . 17210 1 1538 . 1 1 352 352 LYS CA C 13 58.72 0.3 . 1 . . . . 352 LYS CA . 17210 1 1539 . 1 1 352 352 LYS CB C 13 31.538 0.3 . 1 . . . . 352 LYS CB . 17210 1 1540 . 1 1 352 352 LYS N N 15 119.793 0.3 . 1 . . . . 352 LYS N . 17210 1 1541 . 1 1 353 353 VAL C C 13 177.823 0.3 . 1 . . . . 353 VAL C . 17210 1 1542 . 1 1 353 353 VAL CA C 13 67.82 0.3 . 1 . . . . 353 VAL CA . 17210 1 1543 . 1 1 353 353 VAL CB C 13 31.965 0.3 . 1 . . . . 353 VAL CB . 17210 1 1544 . 1 1 354 354 ALA H H 1 8.083 0.03 . 1 . . . . 354 ALA H . 17210 1 1545 . 1 1 354 354 ALA C C 13 181.777 0.3 . 1 . . . . 354 ALA C . 17210 1 1546 . 1 1 354 354 ALA CA C 13 54.907 0.3 . 1 . . . . 354 ALA CA . 17210 1 1547 . 1 1 354 354 ALA CB C 13 18.763 0.3 . 1 . . . . 354 ALA CB . 17210 1 1548 . 1 1 354 354 ALA N N 15 123.02 0.3 . 1 . . . . 354 ALA N . 17210 1 1549 . 1 1 355 355 GLU H H 1 8.358 0.03 . 1 . . . . 355 GLU H . 17210 1 1550 . 1 1 355 355 GLU CA C 13 59.048 0.3 . 1 . . . . 355 GLU CA . 17210 1 1551 . 1 1 355 355 GLU CB C 13 30.049 0.3 . 1 . . . . 355 GLU CB . 17210 1 1552 . 1 1 355 355 GLU N N 15 119.084 0.3 . 1 . . . . 355 GLU N . 17210 1 1553 . 1 1 356 356 PHE C C 13 177.019 0.3 . 1 . . . . 356 PHE C . 17210 1 1554 . 1 1 356 356 PHE CA C 13 61.861 0.3 . 1 . . . . 356 PHE CA . 17210 1 1555 . 1 1 356 356 PHE CB C 13 38.779 0.3 . 1 . . . . 356 PHE CB . 17210 1 1556 . 1 1 357 357 PHE H H 1 8.093 0.03 . 1 . . . . 357 PHE H . 17210 1 1557 . 1 1 357 357 PHE C C 13 176.347 0.3 . 1 . . . . 357 PHE C . 17210 1 1558 . 1 1 357 357 PHE CA C 13 60.975 0.3 . 1 . . . . 357 PHE CA . 17210 1 1559 . 1 1 357 357 PHE CB C 13 39.548 0.3 . 1 . . . . 357 PHE CB . 17210 1 1560 . 1 1 357 357 PHE N N 15 112.465 0.3 . 1 . . . . 357 PHE N . 17210 1 1561 . 1 1 358 358 GLY H H 1 8.2 0.03 . 1 . . . . 358 GLY H . 17210 1 1562 . 1 1 358 358 GLY C C 13 173.558 0.3 . 1 . . . . 358 GLY C . 17210 1 1563 . 1 1 358 358 GLY CA C 13 45.973 0.3 . 1 . . . . 358 GLY CA . 17210 1 1564 . 1 1 358 358 GLY N N 15 109.899 0.3 . 1 . . . . 358 GLY N . 17210 1 1565 . 1 1 359 359 LYS H H 1 7.453 0.03 . 1 . . . . 359 LYS H . 17210 1 1566 . 1 1 359 359 LYS CA C 13 54.421 0.3 . 1 . . . . 359 LYS CA . 17210 1 1567 . 1 1 359 359 LYS CB C 13 34.678 0.3 . 1 . . . . 359 LYS CB . 17210 1 1568 . 1 1 359 359 LYS N N 15 116.613 0.3 . 1 . . . . 359 LYS N . 17210 1 1569 . 1 1 363 363 LYS C C 13 176.719 0.3 . 1 . . . . 363 LYS C . 17210 1 1570 . 1 1 363 363 LYS CA C 13 56.337 0.3 . 1 . . . . 363 LYS CA . 17210 1 1571 . 1 1 363 363 LYS CB C 13 32.649 0.3 . 1 . . . . 363 LYS CB . 17210 1 1572 . 1 1 364 364 ASP H H 1 8.728 0.03 . 1 . . . . 364 ASP H . 17210 1 1573 . 1 1 364 364 ASP C C 13 175.339 0.3 . 1 . . . . 364 ASP C . 17210 1 1574 . 1 1 364 364 ASP CA C 13 53.892 0.3 . 1 . . . . 364 ASP CA . 17210 1 1575 . 1 1 364 364 ASP CB C 13 39.332 0.3 . 1 . . . . 364 ASP CB . 17210 1 1576 . 1 1 364 364 ASP N N 15 117.704 0.3 . 1 . . . . 364 ASP N . 17210 1 1577 . 1 1 365 365 VAL H H 1 6.828 0.03 . 1 . . . . 365 VAL H . 17210 1 1578 . 1 1 365 365 VAL CA C 13 61.597 0.3 . 1 . . . . 365 VAL CA . 17210 1 1579 . 1 1 365 365 VAL CB C 13 33.403 0.3 . 1 . . . . 365 VAL CB . 17210 1 1580 . 1 1 365 365 VAL N N 15 119.427 0.3 . 1 . . . . 365 VAL N . 17210 1 1581 . 1 1 367 367 PRO C C 13 178.136 0.3 . 1 . . . . 367 PRO C . 17210 1 1582 . 1 1 367 367 PRO CA C 13 64.616 0.3 . 1 . . . . 367 PRO CA . 17210 1 1583 . 1 1 368 368 ASP H H 1 8.438 0.03 . 1 . . . . 368 ASP H . 17210 1 1584 . 1 1 368 368 ASP C C 13 177.221 0.3 . 1 . . . . 368 ASP C . 17210 1 1585 . 1 1 368 368 ASP CA C 13 55.938 0.3 . 1 . . . . 368 ASP CA . 17210 1 1586 . 1 1 368 368 ASP CB C 13 42.154 0.3 . 1 . . . . 368 ASP CB . 17210 1 1587 . 1 1 368 368 ASP N N 15 119.324 0.3 . 1 . . . . 368 ASP N . 17210 1 1588 . 1 1 369 369 GLU H H 1 7.145 0.03 . 1 . . . . 369 GLU H . 17210 1 1589 . 1 1 369 369 GLU C C 13 175.808 0.3 . 1 . . . . 369 GLU C . 17210 1 1590 . 1 1 369 369 GLU CA C 13 56.771 0.3 . 1 . . . . 369 GLU CA . 17210 1 1591 . 1 1 369 369 GLU CB C 13 32.398 0.3 . 1 . . . . 369 GLU CB . 17210 1 1592 . 1 1 369 369 GLU N N 15 118.128 0.3 . 1 . . . . 369 GLU N . 17210 1 1593 . 1 1 370 370 ALA H H 1 7.31 0.03 . 1 . . . . 370 ALA H . 17210 1 1594 . 1 1 370 370 ALA CA C 13 56.267 0.3 . 1 . . . . 370 ALA CA . 17210 1 1595 . 1 1 370 370 ALA CB C 13 19.287 0.3 . 1 . . . . 370 ALA CB . 17210 1 1596 . 1 1 370 370 ALA N N 15 119.768 0.3 . 1 . . . . 370 ALA N . 17210 1 1597 . 1 1 372 372 ALA C C 13 179.737 0.3 . 1 . . . . 372 ALA C . 17210 1 1598 . 1 1 372 372 ALA CA C 13 55.239 0.3 . 1 . . . . 372 ALA CA . 17210 1 1599 . 1 1 372 372 ALA CB C 13 18.04 0.3 . 1 . . . . 372 ALA CB . 17210 1 1600 . 1 1 373 373 ILE H H 1 7.97 0.03 . 1 . . . . 373 ILE H . 17210 1 1601 . 1 1 373 373 ILE C C 13 178.219 0.3 . 1 . . . . 373 ILE C . 17210 1 1602 . 1 1 373 373 ILE CA C 13 65.68 0.3 . 1 . . . . 373 ILE CA . 17210 1 1603 . 1 1 373 373 ILE CB C 13 37.49 0.3 . 1 . . . . 373 ILE CB . 17210 1 1604 . 1 1 373 373 ILE N N 15 116.73 0.3 . 1 . . . . 373 ILE N . 17210 1 1605 . 1 1 374 374 GLY H H 1 8.047 0.03 . 1 . . . . 374 GLY H . 17210 1 1606 . 1 1 374 374 GLY C C 13 175.884 0.3 . 1 . . . . 374 GLY C . 17210 1 1607 . 1 1 374 374 GLY CA C 13 47.289 0.3 . 1 . . . . 374 GLY CA . 17210 1 1608 . 1 1 374 374 GLY N N 15 107.455 0.3 . 1 . . . . 374 GLY N . 17210 1 1609 . 1 1 375 375 ALA H H 1 7.917 0.03 . 1 . . . . 375 ALA H . 17210 1 1610 . 1 1 375 375 ALA C C 13 179.083 0.3 . 1 . . . . 375 ALA C . 17210 1 1611 . 1 1 375 375 ALA CA C 13 55.479 0.3 . 1 . . . . 375 ALA CA . 17210 1 1612 . 1 1 375 375 ALA CB C 13 17.799 0.3 . 1 . . . . 375 ALA CB . 17210 1 1613 . 1 1 375 375 ALA N N 15 124.103 0.3 . 1 . . . . 375 ALA N . 17210 1 1614 . 1 1 376 376 ALA H H 1 8.124 0.03 . 1 . . . . 376 ALA H . 17210 1 1615 . 1 1 376 376 ALA C C 13 180.601 0.3 . 1 . . . . 376 ALA C . 17210 1 1616 . 1 1 376 376 ALA CA C 13 55.079 0.3 . 1 . . . . 376 ALA CA . 17210 1 1617 . 1 1 376 376 ALA CB C 13 17.235 0.3 . 1 . . . . 376 ALA CB . 17210 1 1618 . 1 1 376 376 ALA N N 15 122.151 0.3 . 1 . . . . 376 ALA N . 17210 1 1619 . 1 1 377 377 VAL H H 1 8.493 0.03 . 1 . . . . 377 VAL H . 17210 1 1620 . 1 1 377 377 VAL C C 13 178.082 0.3 . 1 . . . . 377 VAL C . 17210 1 1621 . 1 1 377 377 VAL CA C 13 67.065 0.3 . 1 . . . . 377 VAL CA . 17210 1 1622 . 1 1 377 377 VAL CB C 13 31.103 0.3 . 1 . . . . 377 VAL CB . 17210 1 1623 . 1 1 377 377 VAL N N 15 123.021 0.3 . 1 . . . . 377 VAL N . 17210 1 1624 . 1 1 378 378 GLN H H 1 8.068 0.03 . 1 . . . . 378 GLN H . 17210 1 1625 . 1 1 378 378 GLN C C 13 179.628 0.3 . 1 . . . . 378 GLN C . 17210 1 1626 . 1 1 378 378 GLN CA C 13 58.536 0.3 . 1 . . . . 378 GLN CA . 17210 1 1627 . 1 1 378 378 GLN CB C 13 27.651 0.3 . 1 . . . . 378 GLN CB . 17210 1 1628 . 1 1 378 378 GLN N N 15 119.338 0.3 . 1 . . . . 378 GLN N . 17210 1 1629 . 1 1 379 379 GLY H H 1 8.287 0.03 . 1 . . . . 379 GLY H . 17210 1 1630 . 1 1 379 379 GLY C C 13 174.313 0.3 . 1 . . . . 379 GLY C . 17210 1 1631 . 1 1 379 379 GLY CA C 13 47.873 0.3 . 1 . . . . 379 GLY CA . 17210 1 1632 . 1 1 379 379 GLY N N 15 109.975 0.3 . 1 . . . . 379 GLY N . 17210 1 1633 . 1 1 380 380 GLY H H 1 8.32 0.03 . 1 . . . . 380 GLY H . 17210 1 1634 . 1 1 380 380 GLY CA C 13 46.099 0.3 . 1 . . . . 380 GLY CA . 17210 1 1635 . 1 1 380 380 GLY N N 15 109.787 0.3 . 1 . . . . 380 GLY N . 17210 1 1636 . 1 1 381 381 VAL C C 13 179.92 0.3 . 1 . . . . 381 VAL C . 17210 1 1637 . 1 1 381 381 VAL CA C 13 65.471 0.3 . 1 . . . . 381 VAL CA . 17210 1 1638 . 1 1 381 381 VAL CB C 13 32.199 0.3 . 1 . . . . 381 VAL CB . 17210 1 1639 . 1 1 382 382 LEU H H 1 7.526 0.03 . 1 . . . . 382 LEU H . 17210 1 1640 . 1 1 382 382 LEU C C 13 179.458 0.3 . 1 . . . . 382 LEU C . 17210 1 1641 . 1 1 382 382 LEU CA C 13 57.504 0.3 . 1 . . . . 382 LEU CA . 17210 1 1642 . 1 1 382 382 LEU CB C 13 41.398 0.3 . 1 . . . . 382 LEU CB . 17210 1 1643 . 1 1 382 382 LEU N N 15 120.348 0.3 . 1 . . . . 382 LEU N . 17210 1 1644 . 1 1 383 383 THR H H 1 7.898 0.03 . 1 . . . . 383 THR H . 17210 1 1645 . 1 1 383 383 THR C C 13 175.783 0.3 . 1 . . . . 383 THR C . 17210 1 1646 . 1 1 383 383 THR CA C 13 62.826 0.3 . 1 . . . . 383 THR CA . 17210 1 1647 . 1 1 383 383 THR CB C 13 69.536 0.3 . 1 . . . . 383 THR CB . 17210 1 1648 . 1 1 383 383 THR N N 15 108.852 0.3 . 1 . . . . 383 THR N . 17210 1 1649 . 1 1 384 384 GLY H H 1 7.575 0.03 . 1 . . . . 384 GLY H . 17210 1 1650 . 1 1 384 384 GLY C C 13 173.539 0.3 . 1 . . . . 384 GLY C . 17210 1 1651 . 1 1 384 384 GLY CA C 13 45.25 0.3 . 1 . . . . 384 GLY CA . 17210 1 1652 . 1 1 384 384 GLY N N 15 110.46 0.3 . 1 . . . . 384 GLY N . 17210 1 1653 . 1 1 385 385 ASP H H 1 8.048 0.03 . 1 . . . . 385 ASP H . 17210 1 1654 . 1 1 385 385 ASP C C 13 175.686 0.3 . 1 . . . . 385 ASP C . 17210 1 1655 . 1 1 385 385 ASP CA C 13 56.77 0.3 . 1 . . . . 385 ASP CA . 17210 1 1656 . 1 1 385 385 ASP CB C 13 42.652 0.3 . 1 . . . . 385 ASP CB . 17210 1 1657 . 1 1 385 385 ASP N N 15 120.9 0.3 . 1 . . . . 385 ASP N . 17210 1 1658 . 1 1 386 386 VAL H H 1 7.086 0.03 . 1 . . . . 386 VAL H . 17210 1 1659 . 1 1 386 386 VAL C C 13 175.249 0.3 . 1 . . . . 386 VAL C . 17210 1 1660 . 1 1 386 386 VAL CA C 13 61.487 0.3 . 1 . . . . 386 VAL CA . 17210 1 1661 . 1 1 386 386 VAL CB C 13 33.735 0.3 . 1 . . . . 386 VAL CB . 17210 1 1662 . 1 1 386 386 VAL N N 15 119.882 0.3 . 1 . . . . 386 VAL N . 17210 1 1663 . 1 1 387 387 LYS H H 1 8.539 0.03 . 1 . . . . 387 LYS H . 17210 1 1664 . 1 1 387 387 LYS C C 13 175.826 0.3 . 1 . . . . 387 LYS C . 17210 1 1665 . 1 1 387 387 LYS CA C 13 55.959 0.3 . 1 . . . . 387 LYS CA . 17210 1 1666 . 1 1 387 387 LYS CB C 13 34.198 0.3 . 1 . . . . 387 LYS CB . 17210 1 1667 . 1 1 387 387 LYS N N 15 126.276 0.3 . 1 . . . . 387 LYS N . 17210 1 1668 . 1 1 388 388 ASP H H 1 8.32 0.03 . 1 . . . . 388 ASP H . 17210 1 1669 . 1 1 388 388 ASP C C 13 174.836 0.3 . 1 . . . . 388 ASP C . 17210 1 1670 . 1 1 388 388 ASP CA C 13 54.942 0.3 . 1 . . . . 388 ASP CA . 17210 1 1671 . 1 1 388 388 ASP CB C 13 40.28 0.3 . 1 . . . . 388 ASP CB . 17210 1 1672 . 1 1 388 388 ASP N N 15 117.302 0.3 . 1 . . . . 388 ASP N . 17210 1 1673 . 1 1 389 389 VAL H H 1 7.56 0.03 . 1 . . . . 389 VAL H . 17210 1 1674 . 1 1 389 389 VAL CA C 13 62.073 0.3 . 1 . . . . 389 VAL CA . 17210 1 1675 . 1 1 389 389 VAL CB C 13 35.506 0.3 . 1 . . . . 389 VAL CB . 17210 1 1676 . 1 1 389 389 VAL N N 15 118.993 0.3 . 1 . . . . 389 VAL N . 17210 1 1677 . 1 1 390 390 LEU C C 13 174.984 0.3 . 1 . . . . 390 LEU C . 17210 1 1678 . 1 1 390 390 LEU CA C 13 54.482 0.3 . 1 . . . . 390 LEU CA . 17210 1 1679 . 1 1 390 390 LEU CB C 13 44.04 0.3 . 1 . . . . 390 LEU CB . 17210 1 1680 . 1 1 391 391 LEU H H 1 8.302 0.03 . 1 . . . . 391 LEU H . 17210 1 1681 . 1 1 391 391 LEU C C 13 175.763 0.3 . 1 . . . . 391 LEU C . 17210 1 1682 . 1 1 391 391 LEU CA C 13 54.89 0.3 . 1 . . . . 391 LEU CA . 17210 1 1683 . 1 1 391 391 LEU CB C 13 41.733 0.3 . 1 . . . . 391 LEU CB . 17210 1 1684 . 1 1 391 391 LEU N N 15 126.931 0.3 . 1 . . . . 391 LEU N . 17210 1 1685 . 1 1 392 392 LEU H H 1 8.143 0.03 . 1 . . . . 392 LEU H . 17210 1 1686 . 1 1 392 392 LEU CA C 13 56.667 0.3 . 1 . . . . 392 LEU CA . 17210 1 1687 . 1 1 392 392 LEU CB C 13 43.327 0.3 . 1 . . . . 392 LEU CB . 17210 1 1688 . 1 1 392 392 LEU N N 15 131.699 0.3 . 1 . . . . 392 LEU N . 17210 1 stop_ save_