data_5798 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5798 _Entry.Title ; Solution structure of Protein yrbA from Escherichia Coli: Northeast Structural Genomics Consortium target ER115 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-05-16 _Entry.Accession_date 2003-05-16 _Entry.Last_release_date 2006-04-06 _Entry.Original_release_date 2006-04-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Gurla . V.T. . 5798 2 J. Huang . Y. . 5798 3 T. Acton . B. . 5798 4 R. Shastry . . . 5798 5 Y.-W. Chiang . . . 5798 6 G. Montelione . T. . 5798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 656 5798 '13C chemical shifts' 384 5798 '15N chemical shifts' 99 5798 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 . . 2006-04-06 2003-05-16 original author . 5798 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5798 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of Protein yrbA from Escherichia Coli: Northeast Structural Genomics Consortium target ER115 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 S. Gurla . V.T. . 5798 1 2 J. Huang . Y. . 5798 1 3 T. Acton . B. . 5798 1 4 R. Shastry . . . 5798 1 5 Y.-W. Chiang . . . 5798 1 6 G. Montelione . T. . 5798 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ER115 5798 1 'NMR Structure' 5798 1 YRBA 5798 1 yrbA 5798 1 AUTOASSIGN 5798 1 AUTOSTRUCTURE 5798 1 NESG 5798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_yrbA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_yrbA _Assembly.Entry_ID 5798 _Assembly.ID 1 _Assembly.Name 'Protein yrbA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5798 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 yrbA 1 $yrbA . . . native . . . . . 5798 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1NY8 . . . . . . 5798 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Protein yrbA' system 5798 1 yrbA abbreviation 5798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yrbA _Entity.Sf_category entity _Entity.Sf_framecode yrbA _Entity.Entry_ID 5798 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yrbA _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 ; MIEDPMENNEIQSVLMNALS LQEVHVSGDGSHFQVIAVGE LFDGMSRVKKQQTVYGPLME YIADNRIHAVSIKAYTPAEW ARDRKLNGFLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NY8 . "Solution Structure Of Protein Yrba From Escherichia Coli: Northeast Structural Genomics Consortium Target Er115" . . . . . 100.00 97 100.00 100.00 6.09e-65 . . . . 5798 1 2 no DBJ BAB37492 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 3 no DBJ BAE77234 . "predicted DNA-binding transcriptional regulator [Escherichia coli str. K-12 substr. W3110]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 4 no DBJ BAG78998 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 5 no DBJ BAI27468 . "predicted DNA-binding transcriptional regulator [Escherichia coli O26:H11 str. 11368]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 6 no DBJ BAI32647 . "predicted DNA-binding transcriptional regulator [Escherichia coli O103:H2 str. 12009]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 7 no EMBL CAP77650 . "Uncharacterized protein yrbA [Escherichia coli LF82]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 8 no EMBL CAQ33523 . "predicted DNA-binding transcriptional regulator [Escherichia coli BL21(DE3)]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 9 no EMBL CAQ90660 . "putative DNA-binding transcriptional regulator [Escherichia fergusonii ATCC 35469]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 10 no EMBL CAR00152 . "putative DNA-binding transcriptional regulator [Escherichia coli IAI1]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 11 no EMBL CAR04800 . "putative DNA-binding transcriptional regulator [Escherichia coli S88]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 12 no GB AAA57991 . "ORF_f89 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 13 no GB AAC76222 . "acid stress protein; putative BolA family transcriptional regulator [Escherichia coli str. K-12 substr. MG1655]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 14 no GB AAF21251 . "YrbA [Shigella flexneri]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 15 no GB AAG58324 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 16 no GB AAN44696 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 17 no REF NP_289764 . "hypothetical protein Z4553 [Escherichia coli O157:H7 str. EDL933]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 18 no REF NP_312096 . "hypothetical protein ECs4069 [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 19 no REF NP_417657 . "acid stress protein; putative BolA family transcriptional regulator [Escherichia coli str. K-12 substr. MG1655]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 20 no REF NP_708989 . "hypothetical protein SF3230 [Shigella flexneri 2a str. 301]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 21 no REF NP_755814 . "hypothetical protein c3948 [Escherichia coli CFT073]" . . . . . 91.75 89 100.00 100.00 8.45e-59 . . . . 5798 1 22 no SP P0A9W6 . "RecName: Full=Uncharacterized protein YrbA [Escherichia coli K-12]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 23 no SP P0A9W7 . "RecName: Full=Uncharacterized protein YrbA [Escherichia coli CFT073]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 24 no SP P0A9W8 . "RecName: Full=Uncharacterized protein YrbA [Shigella flexneri]" . . . . . 86.60 84 100.00 100.00 1.26e-54 . . . . 5798 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID yrbA common 5798 1 yrbA abbreviation 5798 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 . 5798 1 2 . ILE . 5798 1 3 . GLU . 5798 1 4 . ASP . 5798 1 5 . PRO . 5798 1 6 . MET . 5798 1 7 . GLU . 5798 1 8 . ASN . 5798 1 9 . ASN . 5798 1 10 . GLU . 5798 1 11 . ILE . 5798 1 12 . GLN . 5798 1 13 . SER . 5798 1 14 . VAL . 5798 1 15 . LEU . 5798 1 16 . MET . 5798 1 17 . ASN . 5798 1 18 . ALA . 5798 1 19 . LEU . 5798 1 20 . SER . 5798 1 21 . LEU . 5798 1 22 . GLN . 5798 1 23 . GLU . 5798 1 24 . VAL . 5798 1 25 . HIS . 5798 1 26 . VAL . 5798 1 27 . SER . 5798 1 28 . GLY . 5798 1 29 . ASP . 5798 1 30 . GLY . 5798 1 31 . SER . 5798 1 32 . HIS . 5798 1 33 . PHE . 5798 1 34 . GLN . 5798 1 35 . VAL . 5798 1 36 . ILE . 5798 1 37 . ALA . 5798 1 38 . VAL . 5798 1 39 . GLY . 5798 1 40 . GLU . 5798 1 41 . LEU . 5798 1 42 . PHE . 5798 1 43 . ASP . 5798 1 44 . GLY . 5798 1 45 . MET . 5798 1 46 . SER . 5798 1 47 . ARG . 5798 1 48 . VAL . 5798 1 49 . LYS . 5798 1 50 . LYS . 5798 1 51 . GLN . 5798 1 52 . GLN . 5798 1 53 . THR . 5798 1 54 . VAL . 5798 1 55 . TYR . 5798 1 56 . GLY . 5798 1 57 . PRO . 5798 1 58 . LEU . 5798 1 59 . MET . 5798 1 60 . GLU . 5798 1 61 . TYR . 5798 1 62 . ILE . 5798 1 63 . ALA . 5798 1 64 . ASP . 5798 1 65 . ASN . 5798 1 66 . ARG . 5798 1 67 . ILE . 5798 1 68 . HIS . 5798 1 69 . ALA . 5798 1 70 . VAL . 5798 1 71 . SER . 5798 1 72 . ILE . 5798 1 73 . LYS . 5798 1 74 . ALA . 5798 1 75 . TYR . 5798 1 76 . THR . 5798 1 77 . PRO . 5798 1 78 . ALA . 5798 1 79 . GLU . 5798 1 80 . TRP . 5798 1 81 . ALA . 5798 1 82 . ARG . 5798 1 83 . ASP . 5798 1 84 . ARG . 5798 1 85 . LYS . 5798 1 86 . LEU . 5798 1 87 . ASN . 5798 1 88 . GLY . 5798 1 89 . PHE . 5798 1 90 . LEU . 5798 1 91 . GLU . 5798 1 92 . HIS . 5798 1 93 . HIS . 5798 1 94 . HIS . 5798 1 95 . HIS . 5798 1 96 . HIS . 5798 1 97 . HIS . 5798 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 5798 1 . ILE 2 2 5798 1 . GLU 3 3 5798 1 . ASP 4 4 5798 1 . PRO 5 5 5798 1 . MET 6 6 5798 1 . GLU 7 7 5798 1 . ASN 8 8 5798 1 . ASN 9 9 5798 1 . GLU 10 10 5798 1 . ILE 11 11 5798 1 . GLN 12 12 5798 1 . SER 13 13 5798 1 . VAL 14 14 5798 1 . LEU 15 15 5798 1 . MET 16 16 5798 1 . ASN 17 17 5798 1 . ALA 18 18 5798 1 . LEU 19 19 5798 1 . SER 20 20 5798 1 . LEU 21 21 5798 1 . GLN 22 22 5798 1 . GLU 23 23 5798 1 . VAL 24 24 5798 1 . HIS 25 25 5798 1 . VAL 26 26 5798 1 . SER 27 27 5798 1 . GLY 28 28 5798 1 . ASP 29 29 5798 1 . GLY 30 30 5798 1 . SER 31 31 5798 1 . HIS 32 32 5798 1 . PHE 33 33 5798 1 . GLN 34 34 5798 1 . VAL 35 35 5798 1 . ILE 36 36 5798 1 . ALA 37 37 5798 1 . VAL 38 38 5798 1 . GLY 39 39 5798 1 . GLU 40 40 5798 1 . LEU 41 41 5798 1 . PHE 42 42 5798 1 . ASP 43 43 5798 1 . GLY 44 44 5798 1 . MET 45 45 5798 1 . SER 46 46 5798 1 . ARG 47 47 5798 1 . VAL 48 48 5798 1 . LYS 49 49 5798 1 . LYS 50 50 5798 1 . GLN 51 51 5798 1 . GLN 52 52 5798 1 . THR 53 53 5798 1 . VAL 54 54 5798 1 . TYR 55 55 5798 1 . GLY 56 56 5798 1 . PRO 57 57 5798 1 . LEU 58 58 5798 1 . MET 59 59 5798 1 . GLU 60 60 5798 1 . TYR 61 61 5798 1 . ILE 62 62 5798 1 . ALA 63 63 5798 1 . ASP 64 64 5798 1 . ASN 65 65 5798 1 . ARG 66 66 5798 1 . ILE 67 67 5798 1 . HIS 68 68 5798 1 . ALA 69 69 5798 1 . VAL 70 70 5798 1 . SER 71 71 5798 1 . ILE 72 72 5798 1 . LYS 73 73 5798 1 . ALA 74 74 5798 1 . TYR 75 75 5798 1 . THR 76 76 5798 1 . PRO 77 77 5798 1 . ALA 78 78 5798 1 . GLU 79 79 5798 1 . TRP 80 80 5798 1 . ALA 81 81 5798 1 . ARG 82 82 5798 1 . ASP 83 83 5798 1 . ARG 84 84 5798 1 . LYS 85 85 5798 1 . LEU 86 86 5798 1 . ASN 87 87 5798 1 . GLY 88 88 5798 1 . PHE 89 89 5798 1 . LEU 90 90 5798 1 . GLU 91 91 5798 1 . HIS 92 92 5798 1 . HIS 93 93 5798 1 . HIS 94 94 5798 1 . HIS 95 95 5798 1 . HIS 96 96 5798 1 . HIS 97 97 5798 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5798 _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 $yrbA . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5798 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 5798 _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 $yrbA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5798 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5798 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 yrbA '[U-13C; U-15N]' . . 1 $yrbA . . 0.8 . . mM . . . . 5798 1 2 NH4OAc . . . . . . . 20 . . mM . . . . 5798 1 3 NaCl . . . . . . . 100 . . mM . . . . 5798 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 5798 1 5 DTT . . . . . . . 10 . . mM . . . . 5798 1 6 azide . . . . . . . 0.02 . . % . . . . 5798 1 7 H2O . . . . . . . 95 . . % . . . . 5798 1 8 D2O . . . . . . . 5 . . % . . . . 5798 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5798 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 5798 1 temperature 298 . K 5798 1 'ionic strength' 100 . mM 5798 1 pressure 1 . atm 5798 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 5798 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5798 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5798 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5798 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5798 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details Goddard loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5798 3 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 5798 _Software.ID 4 _Software.Name AUTOASSIGN _Software.Version 1.9 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5798 4 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 5798 _Software.ID 5 _Software.Name AUTOSTRUCTURE _Software.Version 1.1.2 _Software.Details 'Huang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5798 5 stop_ save_ save_HYPER _Software.Sf_category software _Software.Sf_framecode HYPER _Software.Entry_ID 5798 _Software.ID 6 _Software.Name HYPER _Software.Version 3.2 _Software.Details 'Tejero, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5798 6 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5798 _Software.ID 7 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5798 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5798 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5798 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 5798 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5798 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5798 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5798 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5798 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5798 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5798 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 internal direct 0.251449530 . . . . . . . . . 5798 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal direct 0.101329118 . . . . . . . . . 5798 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5798 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5798 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.2 . . 1 . . . . . . . . 5798 1 2 . 1 1 1 1 MET CA C 13 55.305 . . 1 . . . . . . . . 5798 1 3 . 1 1 1 1 MET CB C 13 32.55 . . 1 . . . . . . . . 5798 1 4 . 1 1 1 1 MET CG C 13 31.062 . . 1 . . . . . . . . 5798 1 5 . 1 1 1 1 MET HA H 1 4.16 . . 1 . . . . . . . . 5798 1 6 . 1 1 1 1 MET HG2 H 1 2.597 . . 1 . . . . . . . . 5798 1 7 . 1 1 1 1 MET HG3 H 1 2.597 . . 1 . . . . . . . . 5798 1 8 . 1 1 1 1 MET HB2 H 1 2.177 . . 1 . . . . . . . . 5798 1 9 . 1 1 1 1 MET HB3 H 1 2.177 . . 1 . . . . . . . . 5798 1 10 . 1 1 1 1 MET CE C 13 16.98 . . 1 . . . . . . . . 5798 1 11 . 1 1 1 1 MET HE1 H 1 2.10 . . 1 . . . . . . . . 5798 1 12 . 1 1 1 1 MET HE2 H 1 2.10 . . 1 . . . . . . . . 5798 1 13 . 1 1 1 1 MET HE3 H 1 2.10 . . 1 . . . . . . . . 5798 1 14 . 1 1 2 2 ILE H H 1 8.55 . . 1 . . . . . . . . 5798 1 15 . 1 1 2 2 ILE C C 13 175.1 . . 1 . . . . . . . . 5798 1 16 . 1 1 2 2 ILE CA C 13 61.6 . . 1 . . . . . . . . 5798 1 17 . 1 1 2 2 ILE CB C 13 38.86 . . 1 . . . . . . . . 5798 1 18 . 1 1 2 2 ILE CG1 C 13 27.3 . . 2 . . . . . . . . 5798 1 19 . 1 1 2 2 ILE CG2 C 13 17.62 . . 2 . . . . . . . . 5798 1 20 . 1 1 2 2 ILE CD1 C 13 12.999 . . 1 . . . . . . . . 5798 1 21 . 1 1 2 2 ILE N N 15 123.59 . . 1 . . . . . . . . 5798 1 22 . 1 1 2 2 ILE HA H 1 4.196 . . 1 . . . . . . . . 5798 1 23 . 1 1 2 2 ILE HB H 1 1.854 . . 1 . . . . . . . . 5798 1 24 . 1 1 2 2 ILE HG21 H 1 0.933 . . 1 . . . . . . . . 5798 1 25 . 1 1 2 2 ILE HG22 H 1 0.933 . . 1 . . . . . . . . 5798 1 26 . 1 1 2 2 ILE HG23 H 1 0.933 . . 1 . . . . . . . . 5798 1 27 . 1 1 2 2 ILE HG12 H 1 1.501 . . 2 . . . . . . . . 5798 1 28 . 1 1 2 2 ILE HG13 H 1 1.20 . . 2 . . . . . . . . 5798 1 29 . 1 1 2 2 ILE HD11 H 1 0.871 . . 1 . . . . . . . . 5798 1 30 . 1 1 2 2 ILE HD12 H 1 0.871 . . 1 . . . . . . . . 5798 1 31 . 1 1 2 2 ILE HD13 H 1 0.871 . . 1 . . . . . . . . 5798 1 32 . 1 1 3 3 GLU H H 1 8.57 . . 1 . . . . . . . . 5798 1 33 . 1 1 3 3 GLU C C 13 175.0 . . 1 . . . . . . . . 5798 1 34 . 1 1 3 3 GLU CA C 13 56.4 . . 1 . . . . . . . . 5798 1 35 . 1 1 3 3 GLU CB C 13 30.39 . . 1 . . . . . . . . 5798 1 36 . 1 1 3 3 GLU CG C 13 36.39 . . 1 . . . . . . . . 5798 1 37 . 1 1 3 3 GLU N N 15 124.9 . . 1 . . . . . . . . 5798 1 38 . 1 1 3 3 GLU HA H 1 4.31 . . 1 . . . . . . . . 5798 1 39 . 1 1 3 3 GLU HB2 H 1 2.056 . . 2 . . . . . . . . 5798 1 40 . 1 1 3 3 GLU HB3 H 1 1.93 . . 2 . . . . . . . . 5798 1 41 . 1 1 3 3 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 5798 1 42 . 1 1 3 3 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 5798 1 43 . 1 1 4 4 ASP H H 1 8.35 . . 1 . . . . . . . . 5798 1 44 . 1 1 4 4 ASP CA C 13 52.28 . . 1 . . . . . . . . 5798 1 45 . 1 1 4 4 ASP CB C 13 40.83 . . 1 . . . . . . . . 5798 1 46 . 1 1 4 4 ASP N N 15 122.29 . . 1 . . . . . . . . 5798 1 47 . 1 1 4 4 ASP HA H 1 4.92 . . 1 . . . . . . . . 5798 1 48 . 1 1 4 4 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 5798 1 49 . 1 1 4 4 ASP HB3 H 1 2.53 . . 2 . . . . . . . . 5798 1 50 . 1 1 5 5 PRO C C 13 173.2 . . 1 . . . . . . . . 5798 1 51 . 1 1 5 5 PRO CA C 13 63.29 . . 1 . . . . . . . . 5798 1 52 . 1 1 5 5 PRO CB C 13 32.2 . . 1 . . . . . . . . 5798 1 53 . 1 1 5 5 PRO CG C 13 27.49 . . 1 . . . . . . . . 5798 1 54 . 1 1 5 5 PRO CD C 13 50.82 . . 1 . . . . . . . . 5798 1 55 . 1 1 5 5 PRO HA H 1 4.54 . . 1 . . . . . . . . 5798 1 56 . 1 1 5 5 PRO HB2 H 1 2.365 . . 2 . . . . . . . . 5798 1 57 . 1 1 5 5 PRO HB3 H 1 2.034 . . 2 . . . . . . . . 5798 1 58 . 1 1 5 5 PRO HG2 H 1 2.04 . . 1 . . . . . . . . 5798 1 59 . 1 1 5 5 PRO HG3 H 1 2.04 . . 1 . . . . . . . . 5798 1 60 . 1 1 5 5 PRO HD2 H 1 3.80 . . 1 . . . . . . . . 5798 1 61 . 1 1 5 5 PRO HD3 H 1 3.80 . . 1 . . . . . . . . 5798 1 62 . 1 1 6 6 MET H H 1 8.56 . . 1 . . . . . . . . 5798 1 63 . 1 1 6 6 MET C C 13 174.6 . . 1 . . . . . . . . 5798 1 64 . 1 1 6 6 MET CA C 13 56.04 . . 1 . . . . . . . . 5798 1 65 . 1 1 6 6 MET CB C 13 33.43 . . 1 . . . . . . . . 5798 1 66 . 1 1 6 6 MET N N 15 121.0 . . 1 . . . . . . . . 5798 1 67 . 1 1 6 6 MET HA H 1 4.41 . . 1 . . . . . . . . 5798 1 68 . 1 1 6 6 MET HB2 H 1 1.90 . . 1 . . . . . . . . 5798 1 69 . 1 1 6 6 MET HB3 H 1 1.90 . . 1 . . . . . . . . 5798 1 70 . 1 1 6 6 MET HG2 H 1 2.38 . . 1 . . . . . . . . 5798 1 71 . 1 1 6 6 MET HG3 H 1 2.38 . . 1 . . . . . . . . 5798 1 72 . 1 1 6 6 MET CE C 13 16.38 . . 1 . . . . . . . . 5798 1 73 . 1 1 6 6 MET HE1 H 1 2.003 . . 1 . . . . . . . . 5798 1 74 . 1 1 6 6 MET HE2 H 1 2.003 . . 1 . . . . . . . . 5798 1 75 . 1 1 6 6 MET HE3 H 1 2.003 . . 1 . . . . . . . . 5798 1 76 . 1 1 7 7 GLU H H 1 8.51 . . 1 . . . . . . . . 5798 1 77 . 1 1 7 7 GLU C C 13 175.0 . . 1 . . . . . . . . 5798 1 78 . 1 1 7 7 GLU CA C 13 56.10 . . 1 . . . . . . . . 5798 1 79 . 1 1 7 7 GLU CB C 13 30.69 . . 1 . . . . . . . . 5798 1 80 . 1 1 7 7 GLU CG C 13 36.16 . . 1 . . . . . . . . 5798 1 81 . 1 1 7 7 GLU N N 15 121.2 . . 1 . . . . . . . . 5798 1 82 . 1 1 7 7 GLU HA H 1 4.468 . . 1 . . . . . . . . 5798 1 83 . 1 1 7 7 GLU HB2 H 1 2.24 . . 2 . . . . . . . . 5798 1 84 . 1 1 7 7 GLU HB3 H 1 1.984 . . 2 . . . . . . . . 5798 1 85 . 1 1 7 7 GLU HG2 H 1 2.341 . . 2 . . . . . . . . 5798 1 86 . 1 1 7 7 GLU HG3 H 1 2.43 . . 2 . . . . . . . . 5798 1 87 . 1 1 8 8 ASN H H 1 8.44 . . 1 . . . . . . . . 5798 1 88 . 1 1 8 8 ASN N N 15 122.8 . . 1 . . . . . . . . 5798 1 89 . 1 1 8 8 ASN CA C 13 56.133 . . 1 . . . . . . . . 5798 1 90 . 1 1 8 8 ASN CB C 13 37.88 . . 1 . . . . . . . . 5798 1 91 . 1 1 8 8 ASN ND2 N 15 113.6 . . 1 . . . . . . . . 5798 1 92 . 1 1 8 8 ASN HD21 H 1 7.354 . . 2 . . . . . . . . 5798 1 93 . 1 1 8 8 ASN HD22 H 1 6.786 . . 2 . . . . . . . . 5798 1 94 . 1 1 8 8 ASN HA H 1 4.184 . . 1 . . . . . . . . 5798 1 95 . 1 1 8 8 ASN HB2 H 1 2.868 . . 2 . . . . . . . . 5798 1 96 . 1 1 8 8 ASN HB3 H 1 2.63 . . 2 . . . . . . . . 5798 1 97 . 1 1 9 9 ASN N N 15 116.422 . . 1 . . . . . . . . 5798 1 98 . 1 1 9 9 ASN H H 1 8.61 . . 1 . . . . . . . . 5798 1 99 . 1 1 9 9 ASN CA C 13 55.69 . . 1 . . . . . . . . 5798 1 100 . 1 1 9 9 ASN CB C 13 38.21 . . 1 . . . . . . . . 5798 1 101 . 1 1 9 9 ASN HA H 1 4.44 . . 1 . . . . . . . . 5798 1 102 . 1 1 9 9 ASN HB2 H 1 2.838 . . 1 . . . . . . . . 5798 1 103 . 1 1 9 9 ASN HB3 H 1 2.838 . . 1 . . . . . . . . 5798 1 104 . 1 1 9 9 ASN ND2 N 15 110.3 . . 1 . . . . . . . . 5798 1 105 . 1 1 9 9 ASN HD21 H 1 7.458 . . 2 . . . . . . . . 5798 1 106 . 1 1 9 9 ASN HD22 H 1 6.826 . . 2 . . . . . . . . 5798 1 107 . 1 1 10 10 GLU CA C 13 58.85 . . 1 . . . . . . . . 5798 1 108 . 1 1 10 10 GLU CB C 13 29.78 . . 1 . . . . . . . . 5798 1 109 . 1 1 10 10 GLU CG C 13 36.54 . . 1 . . . . . . . . 5798 1 110 . 1 1 10 10 GLU HA H 1 4.08 . . 1 . . . . . . . . 5798 1 111 . 1 1 10 10 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 5798 1 112 . 1 1 10 10 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 5798 1 113 . 1 1 10 10 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 5798 1 114 . 1 1 10 10 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 5798 1 115 . 1 1 10 10 GLU N N 15 121.800 . . 1 . . . . . . . . 5798 1 116 . 1 1 10 10 GLU H H 1 7.685 . . 1 . . . . . . . . 5798 1 117 . 1 1 11 11 ILE C C 13 173.5 . . 1 . . . . . . . . 5798 1 118 . 1 1 11 11 ILE CA C 13 64.95 . . 1 . . . . . . . . 5798 1 119 . 1 1 11 11 ILE CB C 13 37.14 . . 1 . . . . . . . . 5798 1 120 . 1 1 11 11 ILE CG1 C 13 29.16 . . 2 . . . . . . . . 5798 1 121 . 1 1 11 11 ILE CG2 C 13 17.62 . . 2 . . . . . . . . 5798 1 122 . 1 1 11 11 ILE CD1 C 13 12.24 . . 1 . . . . . . . . 5798 1 123 . 1 1 11 11 ILE N N 15 119.045 . . 1 . . . . . . . . 5798 1 124 . 1 1 11 11 ILE H H 1 7.475 . . 1 . . . . . . . . 5798 1 125 . 1 1 11 11 ILE HA H 1 3.175 . . 1 . . . . . . . . 5798 1 126 . 1 1 11 11 ILE HB H 1 1.65 . . 1 . . . . . . . . 5798 1 127 . 1 1 11 11 ILE HD11 H 1 -0.073 . . 1 . . . . . . . . 5798 1 128 . 1 1 11 11 ILE HD12 H 1 -0.073 . . 1 . . . . . . . . 5798 1 129 . 1 1 11 11 ILE HD13 H 1 -0.073 . . 1 . . . . . . . . 5798 1 130 . 1 1 11 11 ILE HG12 H 1 1.154 . . 2 . . . . . . . . 5798 1 131 . 1 1 11 11 ILE HG13 H 1 0.388 . . 2 . . . . . . . . 5798 1 132 . 1 1 11 11 ILE HG21 H 1 0.523 . . 1 . . . . . . . . 5798 1 133 . 1 1 11 11 ILE HG22 H 1 0.523 . . 1 . . . . . . . . 5798 1 134 . 1 1 11 11 ILE HG23 H 1 0.523 . . 1 . . . . . . . . 5798 1 135 . 1 1 12 12 GLN H H 1 7.86 . . 1 . . . . . . . . 5798 1 136 . 1 1 12 12 GLN C C 13 173.7 . . 1 . . . . . . . . 5798 1 137 . 1 1 12 12 GLN CA C 13 60.20 . . 1 . . . . . . . . 5798 1 138 . 1 1 12 12 GLN CB C 13 28.55 . . 1 . . . . . . . . 5798 1 139 . 1 1 12 12 GLN CG C 13 34.78 . . 1 . . . . . . . . 5798 1 140 . 1 1 12 12 GLN N N 15 117.67 . . 1 . . . . . . . . 5798 1 141 . 1 1 12 12 GLN HA H 1 3.56 . . 1 . . . . . . . . 5798 1 142 . 1 1 12 12 GLN HB2 H 1 2.15 . . 2 . . . . . . . . 5798 1 143 . 1 1 12 12 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 5798 1 144 . 1 1 12 12 GLN HG2 H 1 2.339 . . 2 . . . . . . . . 5798 1 145 . 1 1 12 12 GLN HG3 H 1 2.07 . . 2 . . . . . . . . 5798 1 146 . 1 1 12 12 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 5798 1 147 . 1 1 12 12 GLN HE21 H 1 7.465 . . 2 . . . . . . . . 5798 1 148 . 1 1 12 12 GLN HE22 H 1 6.968 . . 2 . . . . . . . . 5798 1 149 . 1 1 13 13 SER H H 1 7.82 . . 1 . . . . . . . . 5798 1 150 . 1 1 13 13 SER CA C 13 61.876 . . 1 . . . . . . . . 5798 1 151 . 1 1 13 13 SER CB C 13 62.968 . . 1 . . . . . . . . 5798 1 152 . 1 1 13 13 SER N N 15 113.44 . . 1 . . . . . . . . 5798 1 153 . 1 1 13 13 SER HA H 1 4.09 . . 1 . . . . . . . . 5798 1 154 . 1 1 13 13 SER HB2 H 1 3.935 . . 2 . . . . . . . . 5798 1 155 . 1 1 13 13 SER HB3 H 1 4.097 . . 2 . . . . . . . . 5798 1 156 . 1 1 14 14 VAL H H 1 8.05 . . 1 . . . . . . . . 5798 1 157 . 1 1 14 14 VAL C C 13 171.2 . . 1 . . . . . . . . 5798 1 158 . 1 1 14 14 VAL CA C 13 66.18 . . 1 . . . . . . . . 5798 1 159 . 1 1 14 14 VAL CB C 13 31.93 . . 1 . . . . . . . . 5798 1 160 . 1 1 14 14 VAL CG1 C 13 22.7 . . 2 . . . . . . . . 5798 1 161 . 1 1 14 14 VAL CG2 C 13 21.19 . . 2 . . . . . . . . 5798 1 162 . 1 1 14 14 VAL N N 15 121.833 . . 1 . . . . . . . . 5798 1 163 . 1 1 14 14 VAL HA H 1 3.701 . . 1 . . . . . . . . 5798 1 164 . 1 1 14 14 VAL HB H 1 2.03 . . 1 . . . . . . . . 5798 1 165 . 1 1 14 14 VAL HG11 H 1 0.940 . . 2 . . . . . . . . 5798 1 166 . 1 1 14 14 VAL HG12 H 1 0.940 . . 2 . . . . . . . . 5798 1 167 . 1 1 14 14 VAL HG13 H 1 0.940 . . 2 . . . . . . . . 5798 1 168 . 1 1 14 14 VAL HG21 H 1 0.840 . . 2 . . . . . . . . 5798 1 169 . 1 1 14 14 VAL HG22 H 1 0.840 . . 2 . . . . . . . . 5798 1 170 . 1 1 14 14 VAL HG23 H 1 0.840 . . 2 . . . . . . . . 5798 1 171 . 1 1 15 15 LEU H H 1 7.74 . . 1 . . . . . . . . 5798 1 172 . 1 1 15 15 LEU CA C 13 58.63 . . 1 . . . . . . . . 5798 1 173 . 1 1 15 15 LEU CB C 13 42.61 . . 1 . . . . . . . . 5798 1 174 . 1 1 15 15 LEU CG C 13 27.41 . . 1 . . . . . . . . 5798 1 175 . 1 1 15 15 LEU CD1 C 13 23.57 . . 2 . . . . . . . . 5798 1 176 . 1 1 15 15 LEU CD2 C 13 23.46 . . 2 . . . . . . . . 5798 1 177 . 1 1 15 15 LEU N N 15 118.44 . . 1 . . . . . . . . 5798 1 178 . 1 1 15 15 LEU HA H 1 3.956 . . 1 . . . . . . . . 5798 1 179 . 1 1 15 15 LEU HB2 H 1 1.877 . . 2 . . . . . . . . 5798 1 180 . 1 1 15 15 LEU HB3 H 1 1.106 . . 2 . . . . . . . . 5798 1 181 . 1 1 15 15 LEU HG H 1 1.72 . . 1 . . . . . . . . 5798 1 182 . 1 1 15 15 LEU HD11 H 1 0.68 . . 2 . . . . . . . . 5798 1 183 . 1 1 15 15 LEU HD12 H 1 0.68 . . 2 . . . . . . . . 5798 1 184 . 1 1 15 15 LEU HD13 H 1 0.68 . . 2 . . . . . . . . 5798 1 185 . 1 1 15 15 LEU HD21 H 1 0.876 . . 2 . . . . . . . . 5798 1 186 . 1 1 15 15 LEU HD22 H 1 0.876 . . 2 . . . . . . . . 5798 1 187 . 1 1 15 15 LEU HD23 H 1 0.876 . . 2 . . . . . . . . 5798 1 188 . 1 1 16 16 MET N N 15 116.25 . . 1 . . . . . . . . 5798 1 189 . 1 1 16 16 MET H H 1 8.356 . . 1 . . . . . . . . 5798 1 190 . 1 1 16 16 MET CA C 13 57.74 . . 1 . . . . . . . . 5798 1 191 . 1 1 16 16 MET CB C 13 31.3 . . 1 . . . . . . . . 5798 1 192 . 1 1 16 16 MET CG C 13 32.8 . . 1 . . . . . . . . 5798 1 193 . 1 1 16 16 MET HA H 1 4.165 . . 1 . . . . . . . . 5798 1 194 . 1 1 16 16 MET HB2 H 1 2.06 . . 1 . . . . . . . . 5798 1 195 . 1 1 16 16 MET HB3 H 1 2.06 . . 1 . . . . . . . . 5798 1 196 . 1 1 16 16 MET HG3 H 1 2.63 . . 2 . . . . . . . . 5798 1 197 . 1 1 16 16 MET HG2 H 1 2.467 . . 2 . . . . . . . . 5798 1 198 . 1 1 16 16 MET CE C 13 16.52 . . 1 . . . . . . . . 5798 1 199 . 1 1 16 16 MET HE1 H 1 1.957 . . 1 . . . . . . . . 5798 1 200 . 1 1 16 16 MET HE2 H 1 1.957 . . 1 . . . . . . . . 5798 1 201 . 1 1 16 16 MET HE3 H 1 1.957 . . 1 . . . . . . . . 5798 1 202 . 1 1 17 17 ASN C C 13 176.1 . . 1 . . . . . . . . 5798 1 203 . 1 1 17 17 ASN CA C 13 54.74 . . 1 . . . . . . . . 5798 1 204 . 1 1 17 17 ASN CB C 13 38.95 . . 1 . . . . . . . . 5798 1 205 . 1 1 17 17 ASN HA H 1 4.599 . . 1 . . . . . . . . 5798 1 206 . 1 1 17 17 ASN HB2 H 1 2.750 . . 2 . . . . . . . . 5798 1 207 . 1 1 17 17 ASN HB3 H 1 2.830 . . 2 . . . . . . . . 5798 1 208 . 1 1 17 17 ASN N N 15 114.5 . . 1 . . . . . . . . 5798 1 209 . 1 1 17 17 ASN H H 1 7.91 . . 1 . . . . . . . . 5798 1 210 . 1 1 17 17 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 5798 1 211 . 1 1 17 17 ASN HD21 H 1 7.61 . . 2 . . . . . . . . 5798 1 212 . 1 1 17 17 ASN HD22 H 1 6.908 . . 2 . . . . . . . . 5798 1 213 . 1 1 18 18 ALA H H 1 7.88 . . 1 . . . . . . . . 5798 1 214 . 1 1 18 18 ALA C C 13 172.6 . . 1 . . . . . . . . 5798 1 215 . 1 1 18 18 ALA CA C 13 54.26 . . 1 . . . . . . . . 5798 1 216 . 1 1 18 18 ALA CB C 13 20.511 . . 1 . . . . . . . . 5798 1 217 . 1 1 18 18 ALA N N 15 120.41 . . 1 . . . . . . . . 5798 1 218 . 1 1 18 18 ALA HA H 1 4.33 . . 1 . . . . . . . . 5798 1 219 . 1 1 18 18 ALA HB1 H 1 1.514 . . 1 . . . . . . . . 5798 1 220 . 1 1 18 18 ALA HB2 H 1 1.514 . . 1 . . . . . . . . 5798 1 221 . 1 1 18 18 ALA HB3 H 1 1.514 . . 1 . . . . . . . . 5798 1 222 . 1 1 19 19 LEU H H 1 7.79 . . 1 . . . . . . . . 5798 1 223 . 1 1 19 19 LEU C C 13 175.2 . . 1 . . . . . . . . 5798 1 224 . 1 1 19 19 LEU CA C 13 53.09 . . 1 . . . . . . . . 5798 1 225 . 1 1 19 19 LEU CB C 13 44.7 . . 1 . . . . . . . . 5798 1 226 . 1 1 19 19 LEU CG C 13 26.72 . . 1 . . . . . . . . 5798 1 227 . 1 1 19 19 LEU CD1 C 13 22.39 . . 1 . . . . . . . . 5798 1 228 . 1 1 19 19 LEU CD2 C 13 22.39 . . 1 . . . . . . . . 5798 1 229 . 1 1 19 19 LEU N N 15 115.52 . . 1 . . . . . . . . 5798 1 230 . 1 1 19 19 LEU HA H 1 4.58 . . 1 . . . . . . . . 5798 1 231 . 1 1 19 19 LEU HB2 H 1 1.765 . . 2 . . . . . . . . 5798 1 232 . 1 1 19 19 LEU HB3 H 1 1.136 . . 2 . . . . . . . . 5798 1 233 . 1 1 19 19 LEU HG H 1 1.574 . . 1 . . . . . . . . 5798 1 234 . 1 1 19 19 LEU HD11 H 1 0.87 . . 1 . . . . . . . . 5798 1 235 . 1 1 19 19 LEU HD12 H 1 0.87 . . 1 . . . . . . . . 5798 1 236 . 1 1 19 19 LEU HD13 H 1 0.87 . . 1 . . . . . . . . 5798 1 237 . 1 1 19 19 LEU HD21 H 1 0.87 . . 1 . . . . . . . . 5798 1 238 . 1 1 19 19 LEU HD22 H 1 0.87 . . 1 . . . . . . . . 5798 1 239 . 1 1 19 19 LEU HD23 H 1 0.87 . . 1 . . . . . . . . 5798 1 240 . 1 1 20 20 SER H H 1 7.82 . . 1 . . . . . . . . 5798 1 241 . 1 1 20 20 SER CA C 13 57.22 . . 1 . . . . . . . . 5798 1 242 . 1 1 20 20 SER CB C 13 61.60 . . 1 . . . . . . . . 5798 1 243 . 1 1 20 20 SER N N 15 114.72 . . 1 . . . . . . . . 5798 1 244 . 1 1 20 20 SER HA H 1 4.39 . . 1 . . . . . . . . 5798 1 245 . 1 1 20 20 SER HB2 H 1 3.94 . . 2 . . . . . . . . 5798 1 246 . 1 1 20 20 SER HB3 H 1 3.798 . . 2 . . . . . . . . 5798 1 247 . 1 1 21 21 LEU C C 13 174.8 . . 1 . . . . . . . . 5798 1 248 . 1 1 21 21 LEU CA C 13 53.50 . . 1 . . . . . . . . 5798 1 249 . 1 1 21 21 LEU CB C 13 43.30 . . 1 . . . . . . . . 5798 1 250 . 1 1 21 21 LEU CG C 13 26.53 . . 1 . . . . . . . . 5798 1 251 . 1 1 21 21 LEU CD1 C 13 23.83 . . 2 . . . . . . . . 5798 1 252 . 1 1 21 21 LEU CD2 C 13 23.91 . . 2 . . . . . . . . 5798 1 253 . 1 1 21 21 LEU H H 1 7.61 . . 1 . . . . . . . . 5798 1 254 . 1 1 21 21 LEU HA H 1 4.43 . . 1 . . . . . . . . 5798 1 255 . 1 1 21 21 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 5798 1 256 . 1 1 21 21 LEU HB3 H 1 1.51 . . 2 . . . . . . . . 5798 1 257 . 1 1 21 21 LEU HG H 1 1.46 . . 1 . . . . . . . . 5798 1 258 . 1 1 21 21 LEU HD11 H 1 0.70 . . 2 . . . . . . . . 5798 1 259 . 1 1 21 21 LEU HD12 H 1 0.70 . . 2 . . . . . . . . 5798 1 260 . 1 1 21 21 LEU HD13 H 1 0.70 . . 2 . . . . . . . . 5798 1 261 . 1 1 21 21 LEU HD21 H 1 0.62 . . 2 . . . . . . . . 5798 1 262 . 1 1 21 21 LEU HD22 H 1 0.62 . . 2 . . . . . . . . 5798 1 263 . 1 1 21 21 LEU HD23 H 1 0.62 . . 2 . . . . . . . . 5798 1 264 . 1 1 22 22 GLN H H 1 8.80 . . 1 . . . . . . . . 5798 1 265 . 1 1 22 22 GLN C C 13 174.2 . . 1 . . . . . . . . 5798 1 266 . 1 1 22 22 GLN CA C 13 58.23 . . 1 . . . . . . . . 5798 1 267 . 1 1 22 22 GLN CB C 13 31.26 . . 1 . . . . . . . . 5798 1 268 . 1 1 22 22 GLN CG C 13 34.968 . . 1 . . . . . . . . 5798 1 269 . 1 1 22 22 GLN N N 15 119.77 . . 1 . . . . . . . . 5798 1 270 . 1 1 22 22 GLN HA H 1 4.28 . . 1 . . . . . . . . 5798 1 271 . 1 1 22 22 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 5798 1 272 . 1 1 22 22 GLN HB3 H 1 1.78 . . 2 . . . . . . . . 5798 1 273 . 1 1 22 22 GLN HG2 H 1 2.27 . . 2 . . . . . . . . 5798 1 274 . 1 1 22 22 GLN HG3 H 1 2.386 . . 2 . . . . . . . . 5798 1 275 . 1 1 22 22 GLN NE2 N 15 112.3 . . 1 . . . . . . . . 5798 1 276 . 1 1 22 22 GLN HE21 H 1 7.098 . . 2 . . . . . . . . 5798 1 277 . 1 1 22 22 GLN HE22 H 1 8.089 . . 2 . . . . . . . . 5798 1 278 . 1 1 23 23 GLU H H 1 7.60 . . 1 . . . . . . . . 5798 1 279 . 1 1 23 23 GLU C C 13 178.1 . . 1 . . . . . . . . 5798 1 280 . 1 1 23 23 GLU CA C 13 55.42 . . 1 . . . . . . . . 5798 1 281 . 1 1 23 23 GLU CB C 13 32.777 . . 1 . . . . . . . . 5798 1 282 . 1 1 23 23 GLU CG C 13 35.80 . . 1 . . . . . . . . 5798 1 283 . 1 1 23 23 GLU N N 15 111.23 . . 1 . . . . . . . . 5798 1 284 . 1 1 23 23 GLU HA H 1 4.519 . . 1 . . . . . . . . 5798 1 285 . 1 1 23 23 GLU HB2 H 1 2.056 . . 2 . . . . . . . . 5798 1 286 . 1 1 23 23 GLU HB3 H 1 1.74 . . 2 . . . . . . . . 5798 1 287 . 1 1 23 23 GLU HG2 H 1 1.676 . . 1 . . . . . . . . 5798 1 288 . 1 1 23 23 GLU HG3 H 1 1.676 . . 1 . . . . . . . . 5798 1 289 . 1 1 24 24 VAL H H 1 8.12 . . 1 . . . . . . . . 5798 1 290 . 1 1 24 24 VAL C C 13 178.0 . . 1 . . . . . . . . 5798 1 291 . 1 1 24 24 VAL CA C 13 60.075 . . 1 . . . . . . . . 5798 1 292 . 1 1 24 24 VAL CB C 13 35.64 . . 1 . . . . . . . . 5798 1 293 . 1 1 24 24 VAL CG1 C 13 23.81 . . 2 . . . . . . . . 5798 1 294 . 1 1 24 24 VAL CG2 C 13 21.88 . . 2 . . . . . . . . 5798 1 295 . 1 1 24 24 VAL N N 15 120.07 . . 1 . . . . . . . . 5798 1 296 . 1 1 24 24 VAL HA H 1 4.88 . . 1 . . . . . . . . 5798 1 297 . 1 1 24 24 VAL HB H 1 1.788 . . 1 . . . . . . . . 5798 1 298 . 1 1 24 24 VAL HG11 H 1 0.851 . . 2 . . . . . . . . 5798 1 299 . 1 1 24 24 VAL HG12 H 1 0.851 . . 2 . . . . . . . . 5798 1 300 . 1 1 24 24 VAL HG13 H 1 0.851 . . 2 . . . . . . . . 5798 1 301 . 1 1 24 24 VAL HG21 H 1 0.82 . . 2 . . . . . . . . 5798 1 302 . 1 1 24 24 VAL HG22 H 1 0.82 . . 2 . . . . . . . . 5798 1 303 . 1 1 24 24 VAL HG23 H 1 0.82 . . 2 . . . . . . . . 5798 1 304 . 1 1 25 25 HIS H H 1 8.97 . . 1 . . . . . . . . 5798 1 305 . 1 1 25 25 HIS C C 13 176.7 . . 1 . . . . . . . . 5798 1 306 . 1 1 25 25 HIS CA C 13 54.14 . . 1 . . . . . . . . 5798 1 307 . 1 1 25 25 HIS CB C 13 31.838 . . 1 . . . . . . . . 5798 1 308 . 1 1 25 25 HIS N N 15 123.55 . . 1 . . . . . . . . 5798 1 309 . 1 1 25 25 HIS HA H 1 4.958 . . 1 . . . . . . . . 5798 1 310 . 1 1 25 25 HIS HB2 H 1 3.253 . . 2 . . . . . . . . 5798 1 311 . 1 1 25 25 HIS HB3 H 1 2.79 . . 2 . . . . . . . . 5798 1 312 . 1 1 25 25 HIS CE1 C 13 118.8 . . 1 . . . . . . . . 5798 1 313 . 1 1 25 25 HIS HE1 H 1 6.10 . . 1 . . . . . . . . 5798 1 314 . 1 1 25 25 HIS CD2 C 13 118.8 . . 1 . . . . . . . . 5798 1 315 . 1 1 25 25 HIS HD2 H 1 6.63 . . 1 . . . . . . . . 5798 1 316 . 1 1 26 26 VAL H H 1 9.23 . . 1 . . . . . . . . 5798 1 317 . 1 1 26 26 VAL C C 13 176.5 . . 1 . . . . . . . . 5798 1 318 . 1 1 26 26 VAL CA C 13 60.910 . . 1 . . . . . . . . 5798 1 319 . 1 1 26 26 VAL CB C 13 34.393 . . 1 . . . . . . . . 5798 1 320 . 1 1 26 26 VAL CG1 C 13 21.91 . . 1 . . . . . . . . 5798 1 321 . 1 1 26 26 VAL CG2 C 13 21.91 . . 1 . . . . . . . . 5798 1 322 . 1 1 26 26 VAL N N 15 126.35 . . 1 . . . . . . . . 5798 1 323 . 1 1 26 26 VAL HA H 1 5.163 . . 1 . . . . . . . . 5798 1 324 . 1 1 26 26 VAL HB H 1 1.976 . . 1 . . . . . . . . 5798 1 325 . 1 1 26 26 VAL HG11 H 1 0.97 . . 2 . . . . . . . . 5798 1 326 . 1 1 26 26 VAL HG12 H 1 0.97 . . 2 . . . . . . . . 5798 1 327 . 1 1 26 26 VAL HG13 H 1 0.97 . . 2 . . . . . . . . 5798 1 328 . 1 1 26 26 VAL HG21 H 1 0.817 . . 2 . . . . . . . . 5798 1 329 . 1 1 26 26 VAL HG22 H 1 0.817 . . 2 . . . . . . . . 5798 1 330 . 1 1 26 26 VAL HG23 H 1 0.817 . . 2 . . . . . . . . 5798 1 331 . 1 1 27 27 SER H H 1 8.97 . . 1 . . . . . . . . 5798 1 332 . 1 1 27 27 SER C C 13 178.0 . . 1 . . . . . . . . 5798 1 333 . 1 1 27 27 SER CA C 13 56.855 . . 1 . . . . . . . . 5798 1 334 . 1 1 27 27 SER CB C 13 66.14 . . 1 . . . . . . . . 5798 1 335 . 1 1 27 27 SER N N 15 121.44 . . 1 . . . . . . . . 5798 1 336 . 1 1 27 27 SER HA H 1 4.916 . . 1 . . . . . . . . 5798 1 337 . 1 1 27 27 SER HB2 H 1 3.96 . . 2 . . . . . . . . 5798 1 338 . 1 1 27 27 SER HB3 H 1 3.86 . . 2 . . . . . . . . 5798 1 339 . 1 1 28 28 GLY H H 1 8.56 . . 1 . . . . . . . . 5798 1 340 . 1 1 28 28 GLY C C 13 177.8 . . 1 . . . . . . . . 5798 1 341 . 1 1 28 28 GLY CA C 13 46.47 . . 1 . . . . . . . . 5798 1 342 . 1 1 28 28 GLY N N 15 108.63 . . 1 . . . . . . . . 5798 1 343 . 1 1 28 28 GLY HA2 H 1 4.04 . . 2 . . . . . . . . 5798 1 344 . 1 1 28 28 GLY HA3 H 1 4.439 . . 2 . . . . . . . . 5798 1 345 . 1 1 29 29 ASP H H 1 7.57 . . 1 . . . . . . . . 5798 1 346 . 1 1 29 29 ASP C C 13 173.6 . . 1 . . . . . . . . 5798 1 347 . 1 1 29 29 ASP CA C 13 52.66 . . 1 . . . . . . . . 5798 1 348 . 1 1 29 29 ASP CB C 13 41.93 . . 1 . . . . . . . . 5798 1 349 . 1 1 29 29 ASP N N 15 117.656 . . 1 . . . . . . . . 5798 1 350 . 1 1 29 29 ASP HA H 1 4.773 . . 1 . . . . . . . . 5798 1 351 . 1 1 29 29 ASP HB2 H 1 2.571 . . 2 . . . . . . . . 5798 1 352 . 1 1 29 29 ASP HB3 H 1 3.108 . . 2 . . . . . . . . 5798 1 353 . 1 1 30 30 GLY H H 1 7.67 . . 1 . . . . . . . . 5798 1 354 . 1 1 30 30 GLY C C 13 176.7 . . 1 . . . . . . . . 5798 1 355 . 1 1 30 30 GLY CA C 13 45.87 . . 1 . . . . . . . . 5798 1 356 . 1 1 30 30 GLY N N 15 108.1 . . 1 . . . . . . . . 5798 1 357 . 1 1 30 30 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 5798 1 358 . 1 1 30 30 GLY HA3 H 1 4.30 . . 2 . . . . . . . . 5798 1 359 . 1 1 31 31 SER H H 1 8.20 . . 1 . . . . . . . . 5798 1 360 . 1 1 31 31 SER C C 13 177.5 . . 1 . . . . . . . . 5798 1 361 . 1 1 31 31 SER CA C 13 59.69 . . 1 . . . . . . . . 5798 1 362 . 1 1 31 31 SER CB C 13 64.22 . . 1 . . . . . . . . 5798 1 363 . 1 1 31 31 SER N N 15 115.39 . . 1 . . . . . . . . 5798 1 364 . 1 1 31 31 SER HA H 1 4.565 . . 1 . . . . . . . . 5798 1 365 . 1 1 31 31 SER HB2 H 1 3.597 . . 2 . . . . . . . . 5798 1 366 . 1 1 31 31 SER HB3 H 1 3.116 . . 2 . . . . . . . . 5798 1 367 . 1 1 32 32 HIS H H 1 8.89 . . 1 . . . . . . . . 5798 1 368 . 1 1 32 32 HIS C C 13 176.6 . . 1 . . . . . . . . 5798 1 369 . 1 1 32 32 HIS CA C 13 55.2 . . 1 . . . . . . . . 5798 1 370 . 1 1 32 32 HIS CB C 13 29.96 . . 1 . . . . . . . . 5798 1 371 . 1 1 32 32 HIS N N 15 121.93 . . 1 . . . . . . . . 5798 1 372 . 1 1 32 32 HIS HA H 1 5.189 . . 1 . . . . . . . . 5798 1 373 . 1 1 32 32 HIS HB2 H 1 3.116 . . 2 . . . . . . . . 5798 1 374 . 1 1 32 32 HIS HB3 H 1 3.151 . . 2 . . . . . . . . 5798 1 375 . 1 1 33 33 PHE H H 1 8.43 . . 1 . . . . . . . . 5798 1 376 . 1 1 33 33 PHE C C 13 175.8 . . 1 . . . . . . . . 5798 1 377 . 1 1 33 33 PHE CA C 13 57.25 . . 1 . . . . . . . . 5798 1 378 . 1 1 33 33 PHE CB C 13 42.7 . . 1 . . . . . . . . 5798 1 379 . 1 1 33 33 PHE CD1 C 13 130.8 . . 1 . . . . . . . . 5798 1 380 . 1 1 33 33 PHE CD2 C 13 130.8 . . 1 . . . . . . . . 5798 1 381 . 1 1 33 33 PHE CE1 C 13 132 . . 1 . . . . . . . . 5798 1 382 . 1 1 33 33 PHE CE2 C 13 132 . . 1 . . . . . . . . 5798 1 383 . 1 1 33 33 PHE N N 15 122.025 . . 1 . . . . . . . . 5798 1 384 . 1 1 33 33 PHE HA H 1 5.33 . . 1 . . . . . . . . 5798 1 385 . 1 1 33 33 PHE HB2 H 1 2.74 . . 2 . . . . . . . . 5798 1 386 . 1 1 33 33 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 5798 1 387 . 1 1 33 33 PHE HD2 H 1 7.10 . . 1 . . . . . . . . 5798 1 388 . 1 1 33 33 PHE HD1 H 1 7.10 . . 1 . . . . . . . . 5798 1 389 . 1 1 33 33 PHE HE1 H 1 7.03 . . 1 . . . . . . . . 5798 1 390 . 1 1 33 33 PHE HE2 H 1 7.03 . . 1 . . . . . . . . 5798 1 391 . 1 1 34 34 GLN H H 1 9.35 . . 1 . . . . . . . . 5798 1 392 . 1 1 34 34 GLN C C 13 176.2 . . 1 . . . . . . . . 5798 1 393 . 1 1 34 34 GLN CA C 13 54.93 . . 1 . . . . . . . . 5798 1 394 . 1 1 34 34 GLN CB C 13 30.918 . . 1 . . . . . . . . 5798 1 395 . 1 1 34 34 GLN CG C 13 34.59 . . 1 . . . . . . . . 5798 1 396 . 1 1 34 34 GLN N N 15 123.12 . . 1 . . . . . . . . 5798 1 397 . 1 1 34 34 GLN HA H 1 5.126 . . 1 . . . . . . . . 5798 1 398 . 1 1 34 34 GLN HB2 H 1 1.985 . . 2 . . . . . . . . 5798 1 399 . 1 1 34 34 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 5798 1 400 . 1 1 34 34 GLN HG2 H 1 2.148 . . 1 . . . . . . . . 5798 1 401 . 1 1 34 34 GLN HG3 H 1 2.148 . . 1 . . . . . . . . 5798 1 402 . 1 1 34 34 GLN NE2 N 15 111.2 . . 1 . . . . . . . . 5798 1 403 . 1 1 34 34 GLN HE21 H 1 6.83 . . 2 . . . . . . . . 5798 1 404 . 1 1 34 34 GLN HE22 H 1 7.30 . . 2 . . . . . . . . 5798 1 405 . 1 1 35 35 VAL H H 1 9.03 . . 1 . . . . . . . . 5798 1 406 . 1 1 35 35 VAL C C 13 176.3 . . 1 . . . . . . . . 5798 1 407 . 1 1 35 35 VAL CA C 13 61.13 . . 1 . . . . . . . . 5798 1 408 . 1 1 35 35 VAL CB C 13 34.897 . . 1 . . . . . . . . 5798 1 409 . 1 1 35 35 VAL CG1 C 13 21.232 . . 1 . . . . . . . . 5798 1 410 . 1 1 35 35 VAL CG2 C 13 21.232 . . 1 . . . . . . . . 5798 1 411 . 1 1 35 35 VAL N N 15 125.18 . . 1 . . . . . . . . 5798 1 412 . 1 1 35 35 VAL HA H 1 4.59 . . 1 . . . . . . . . 5798 1 413 . 1 1 35 35 VAL HB H 1 1.82 . . 1 . . . . . . . . 5798 1 414 . 1 1 35 35 VAL HG11 H 1 0.61 . . 2 . . . . . . . . 5798 1 415 . 1 1 35 35 VAL HG12 H 1 0.61 . . 2 . . . . . . . . 5798 1 416 . 1 1 35 35 VAL HG13 H 1 0.61 . . 2 . . . . . . . . 5798 1 417 . 1 1 35 35 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 5798 1 418 . 1 1 35 35 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 5798 1 419 . 1 1 35 35 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 5798 1 420 . 1 1 36 36 ILE H H 1 8.95 . . 1 . . . . . . . . 5798 1 421 . 1 1 36 36 ILE C C 13 176.4 . . 1 . . . . . . . . 5798 1 422 . 1 1 36 36 ILE CA C 13 60.35 . . 1 . . . . . . . . 5798 1 423 . 1 1 36 36 ILE CB C 13 40.095 . . 1 . . . . . . . . 5798 1 424 . 1 1 36 36 ILE CG1 C 13 27.8 . . 2 . . . . . . . . 5798 1 425 . 1 1 36 36 ILE CG2 C 13 17.43 . . 2 . . . . . . . . 5798 1 426 . 1 1 36 36 ILE CD1 C 13 14.03 . . 1 . . . . . . . . 5798 1 427 . 1 1 36 36 ILE N N 15 128.36 . . 1 . . . . . . . . 5798 1 428 . 1 1 36 36 ILE HA H 1 4.88 . . 1 . . . . . . . . 5798 1 429 . 1 1 36 36 ILE HB H 1 1.65 . . 1 . . . . . . . . 5798 1 430 . 1 1 36 36 ILE HG21 H 1 0.363 . . 1 . . . . . . . . 5798 1 431 . 1 1 36 36 ILE HG22 H 1 0.363 . . 1 . . . . . . . . 5798 1 432 . 1 1 36 36 ILE HG23 H 1 0.363 . . 1 . . . . . . . . 5798 1 433 . 1 1 36 36 ILE HG12 H 1 1.087 . . 2 . . . . . . . . 5798 1 434 . 1 1 36 36 ILE HG13 H 1 1.63 . . 2 . . . . . . . . 5798 1 435 . 1 1 36 36 ILE HD11 H 1 0.96 . . 1 . . . . . . . . 5798 1 436 . 1 1 36 36 ILE HD12 H 1 0.96 . . 1 . . . . . . . . 5798 1 437 . 1 1 36 36 ILE HD13 H 1 0.96 . . 1 . . . . . . . . 5798 1 438 . 1 1 37 37 ALA H H 1 8.84 . . 1 . . . . . . . . 5798 1 439 . 1 1 37 37 ALA C C 13 176.2 . . 1 . . . . . . . . 5798 1 440 . 1 1 37 37 ALA CA C 13 50.256 . . 1 . . . . . . . . 5798 1 441 . 1 1 37 37 ALA CB C 13 22.233 . . 1 . . . . . . . . 5798 1 442 . 1 1 37 37 ALA N N 15 129.82 . . 1 . . . . . . . . 5798 1 443 . 1 1 37 37 ALA HA H 1 4.915 . . 1 . . . . . . . . 5798 1 444 . 1 1 37 37 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 5798 1 445 . 1 1 37 37 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 5798 1 446 . 1 1 37 37 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 5798 1 447 . 1 1 38 38 VAL H H 1 8.29 . . 1 . . . . . . . . 5798 1 448 . 1 1 38 38 VAL C C 13 174.3 . . 1 . . . . . . . . 5798 1 449 . 1 1 38 38 VAL CA C 13 59.75 . . 1 . . . . . . . . 5798 1 450 . 1 1 38 38 VAL CB C 13 34.06 . . 1 . . . . . . . . 5798 1 451 . 1 1 38 38 VAL CG2 C 13 20.0 . . 2 . . . . . . . . 5798 1 452 . 1 1 38 38 VAL CG1 C 13 18.407 . . 2 . . . . . . . . 5798 1 453 . 1 1 38 38 VAL N N 15 121.65 . . 1 . . . . . . . . 5798 1 454 . 1 1 38 38 VAL HA H 1 5.55 . . 1 . . . . . . . . 5798 1 455 . 1 1 38 38 VAL HB H 1 1.748 . . 1 . . . . . . . . 5798 1 456 . 1 1 38 38 VAL HG11 H 1 -0.294 . . 2 . . . . . . . . 5798 1 457 . 1 1 38 38 VAL HG12 H 1 -0.294 . . 2 . . . . . . . . 5798 1 458 . 1 1 38 38 VAL HG13 H 1 -0.294 . . 2 . . . . . . . . 5798 1 459 . 1 1 38 38 VAL HG21 H 1 0.66 . . 2 . . . . . . . . 5798 1 460 . 1 1 38 38 VAL HG22 H 1 0.66 . . 2 . . . . . . . . 5798 1 461 . 1 1 38 38 VAL HG23 H 1 0.66 . . 2 . . . . . . . . 5798 1 462 . 1 1 39 39 GLY H H 1 9.26 . . 1 . . . . . . . . 5798 1 463 . 1 1 39 39 GLY C C 13 178.1 . . 1 . . . . . . . . 5798 1 464 . 1 1 39 39 GLY CA C 13 46.43 . . 1 . . . . . . . . 5798 1 465 . 1 1 39 39 GLY N N 15 112.695 . . 1 . . . . . . . . 5798 1 466 . 1 1 39 39 GLY HA2 H 1 4.525 . . 2 . . . . . . . . 5798 1 467 . 1 1 39 39 GLY HA3 H 1 3.89 . . 2 . . . . . . . . 5798 1 468 . 1 1 40 40 GLU H H 1 9.47 . . 1 . . . . . . . . 5798 1 469 . 1 1 40 40 GLU C C 13 172.4 . . 1 . . . . . . . . 5798 1 470 . 1 1 40 40 GLU CA C 13 59.148 . . 1 . . . . . . . . 5798 1 471 . 1 1 40 40 GLU CB C 13 29.43 . . 1 . . . . . . . . 5798 1 472 . 1 1 40 40 GLU CG C 13 36.05 . . 1 . . . . . . . . 5798 1 473 . 1 1 40 40 GLU N N 15 126.35 . . 1 . . . . . . . . 5798 1 474 . 1 1 40 40 GLU HA H 1 4.16 . . 1 . . . . . . . . 5798 1 475 . 1 1 40 40 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 5798 1 476 . 1 1 40 40 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 5798 1 477 . 1 1 40 40 GLU HG2 H 1 2.418 . . 1 . . . . . . . . 5798 1 478 . 1 1 40 40 GLU HG3 H 1 2.418 . . 1 . . . . . . . . 5798 1 479 . 1 1 41 41 LEU H H 1 8.233 . . 1 . . . . . . . . 5798 1 480 . 1 1 41 41 LEU C C 13 175.1 . . 1 . . . . . . . . 5798 1 481 . 1 1 41 41 LEU CA C 13 57.69 . . 1 . . . . . . . . 5798 1 482 . 1 1 41 41 LEU CB C 13 40.618 . . 1 . . . . . . . . 5798 1 483 . 1 1 41 41 LEU CG C 13 27.610 . . 1 . . . . . . . . 5798 1 484 . 1 1 41 41 LEU CD1 C 13 25.11 . . 1 . . . . . . . . 5798 1 485 . 1 1 41 41 LEU CD2 C 13 25.11 . . 1 . . . . . . . . 5798 1 486 . 1 1 41 41 LEU N N 15 119.81 . . 1 . . . . . . . . 5798 1 487 . 1 1 41 41 LEU HA H 1 4.066 . . 1 . . . . . . . . 5798 1 488 . 1 1 41 41 LEU HB2 H 1 1.075 . . 2 . . . . . . . . 5798 1 489 . 1 1 41 41 LEU HB3 H 1 1.645 . . 2 . . . . . . . . 5798 1 490 . 1 1 41 41 LEU HG H 1 0.79 . . 1 . . . . . . . . 5798 1 491 . 1 1 41 41 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 5798 1 492 . 1 1 41 41 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 5798 1 493 . 1 1 41 41 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 5798 1 494 . 1 1 41 41 LEU HD21 H 1 0.20 . . 2 . . . . . . . . 5798 1 495 . 1 1 41 41 LEU HD22 H 1 0.20 . . 2 . . . . . . . . 5798 1 496 . 1 1 41 41 LEU HD23 H 1 0.20 . . 2 . . . . . . . . 5798 1 497 . 1 1 42 42 PHE H H 1 6.54 . . 1 . . . . . . . . 5798 1 498 . 1 1 42 42 PHE C C 13 174.1 . . 1 . . . . . . . . 5798 1 499 . 1 1 42 42 PHE CA C 13 57.1 . . 1 . . . . . . . . 5798 1 500 . 1 1 42 42 PHE CB C 13 38.66 . . 1 . . . . . . . . 5798 1 501 . 1 1 42 42 PHE N N 15 113.52 . . 1 . . . . . . . . 5798 1 502 . 1 1 42 42 PHE HA H 1 4.9 . . 1 . . . . . . . . 5798 1 503 . 1 1 42 42 PHE HB2 H 1 2.645 . . 2 . . . . . . . . 5798 1 504 . 1 1 42 42 PHE HB3 H 1 3.328 . . 2 . . . . . . . . 5798 1 505 . 1 1 42 42 PHE HD2 H 1 7.64 . . 1 . . . . . . . . 5798 1 506 . 1 1 42 42 PHE HD1 H 1 7.64 . . 1 . . . . . . . . 5798 1 507 . 1 1 42 42 PHE HE2 H 1 6.66 . . 2 . . . . . . . . 5798 1 508 . 1 1 42 42 PHE HE1 H 1 6.78 . . 2 . . . . . . . . 5798 1 509 . 1 1 42 42 PHE HZ H 1 6.93 . . 1 . . . . . . . . 5798 1 510 . 1 1 42 42 PHE CD1 C 13 132.3 . . 1 . . . . . . . . 5798 1 511 . 1 1 42 42 PHE CE1 C 13 124.2 . . 2 . . . . . . . . 5798 1 512 . 1 1 42 42 PHE CD2 C 13 132.3 . . 1 . . . . . . . . 5798 1 513 . 1 1 42 42 PHE CE2 C 13 128.9 . . 2 . . . . . . . . 5798 1 514 . 1 1 42 42 PHE CZ C 13 130.6 . . 1 . . . . . . . . 5798 1 515 . 1 1 43 43 ASP H H 1 7.92 . . 1 . . . . . . . . 5798 1 516 . 1 1 43 43 ASP C C 13 173.5 . . 1 . . . . . . . . 5798 1 517 . 1 1 43 43 ASP CA C 13 56.489 . . 1 . . . . . . . . 5798 1 518 . 1 1 43 43 ASP CB C 13 41.398 . . 1 . . . . . . . . 5798 1 519 . 1 1 43 43 ASP N N 15 121.39 . . 1 . . . . . . . . 5798 1 520 . 1 1 43 43 ASP HA H 1 4.35 . . 1 . . . . . . . . 5798 1 521 . 1 1 43 43 ASP HB2 H 1 2.87 . . 1 . . . . . . . . 5798 1 522 . 1 1 43 43 ASP HB3 H 1 2.87 . . 1 . . . . . . . . 5798 1 523 . 1 1 44 44 GLY H H 1 8.73 . . 1 . . . . . . . . 5798 1 524 . 1 1 44 44 GLY C C 13 176.2 . . 1 . . . . . . . . 5798 1 525 . 1 1 44 44 GLY CA C 13 45.867 . . 1 . . . . . . . . 5798 1 526 . 1 1 44 44 GLY N N 15 115.42 . . 1 . . . . . . . . 5798 1 527 . 1 1 44 44 GLY HA2 H 1 4.193 . . 2 . . . . . . . . 5798 1 528 . 1 1 44 44 GLY HA3 H 1 3.753 . . 2 . . . . . . . . 5798 1 529 . 1 1 45 45 MET H H 1 7.727 . . 1 . . . . . . . . 5798 1 530 . 1 1 45 45 MET C C 13 174.1 . . 1 . . . . . . . . 5798 1 531 . 1 1 45 45 MET CA C 13 56.4 . . 1 . . . . . . . . 5798 1 532 . 1 1 45 45 MET CB C 13 35.55 . . 1 . . . . . . . . 5798 1 533 . 1 1 45 45 MET CG C 13 33.96 . . 1 . . . . . . . . 5798 1 534 . 1 1 45 45 MET N N 15 119.886 . . 1 . . . . . . . . 5798 1 535 . 1 1 45 45 MET HA H 1 4.477 . . 1 . . . . . . . . 5798 1 536 . 1 1 45 45 MET HG2 H 1 2.733 . . 2 . . . . . . . . 5798 1 537 . 1 1 45 45 MET HG3 H 1 2.56 . . 2 . . . . . . . . 5798 1 538 . 1 1 45 45 MET HB2 H 1 2.184 . . 2 . . . . . . . . 5798 1 539 . 1 1 45 45 MET HB3 H 1 2.025 . . 2 . . . . . . . . 5798 1 540 . 1 1 45 45 MET CE C 13 17.50 . . 1 . . . . . . . . 5798 1 541 . 1 1 45 45 MET HE1 H 1 2.062 . . 1 . . . . . . . . 5798 1 542 . 1 1 45 45 MET HE2 H 1 2.062 . . 1 . . . . . . . . 5798 1 543 . 1 1 45 45 MET HE3 H 1 2.062 . . 1 . . . . . . . . 5798 1 544 . 1 1 46 46 SER H H 1 8.54 . . 1 . . . . . . . . 5798 1 545 . 1 1 46 46 SER C C 13 176.1 . . 1 . . . . . . . . 5798 1 546 . 1 1 46 46 SER CA C 13 57.409 . . 1 . . . . . . . . 5798 1 547 . 1 1 46 46 SER CB C 13 64.6 . . 1 . . . . . . . . 5798 1 548 . 1 1 46 46 SER N N 15 119.1 . . 1 . . . . . . . . 5798 1 549 . 1 1 46 46 SER HA H 1 4.53 . . 1 . . . . . . . . 5798 1 550 . 1 1 46 46 SER HB2 H 1 4.10 . . 2 . . . . . . . . 5798 1 551 . 1 1 46 46 SER HB3 H 1 4.41 . . 2 . . . . . . . . 5798 1 552 . 1 1 47 47 ARG H H 1 8.92 . . 1 . . . . . . . . 5798 1 553 . 1 1 47 47 ARG C C 13 171.5 . . 1 . . . . . . . . 5798 1 554 . 1 1 47 47 ARG CA C 13 60.9 . . 1 . . . . . . . . 5798 1 555 . 1 1 47 47 ARG CB C 13 29.97 . . 1 . . . . . . . . 5798 1 556 . 1 1 47 47 ARG CG C 13 27.57 . . 1 . . . . . . . . 5798 1 557 . 1 1 47 47 ARG CD C 13 43.561 . . 1 . . . . . . . . 5798 1 558 . 1 1 47 47 ARG N N 15 121.93 . . 1 . . . . . . . . 5798 1 559 . 1 1 47 47 ARG HA H 1 3.88 . . 1 . . . . . . . . 5798 1 560 . 1 1 47 47 ARG HB2 H 1 1.90 . . 2 . . . . . . . . 5798 1 561 . 1 1 47 47 ARG HB3 H 1 2.01 . . 2 . . . . . . . . 5798 1 562 . 1 1 47 47 ARG HG2 H 1 1.573 . . 2 . . . . . . . . 5798 1 563 . 1 1 47 47 ARG HG3 H 1 1.778 . . 2 . . . . . . . . 5798 1 564 . 1 1 47 47 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 5798 1 565 . 1 1 47 47 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 5798 1 566 . 1 1 48 48 VAL H H 1 8.12 . . 1 . . . . . . . . 5798 1 567 . 1 1 48 48 VAL C C 13 173.4 . . 1 . . . . . . . . 5798 1 568 . 1 1 48 48 VAL CA C 13 65.9 . . 1 . . . . . . . . 5798 1 569 . 1 1 48 48 VAL CB C 13 31.83 . . 1 . . . . . . . . 5798 1 570 . 1 1 48 48 VAL CG1 C 13 22.475 . . 2 . . . . . . . . 5798 1 571 . 1 1 48 48 VAL CG2 C 13 20.800 . . 2 . . . . . . . . 5798 1 572 . 1 1 48 48 VAL N N 15 117.20 . . 1 . . . . . . . . 5798 1 573 . 1 1 48 48 VAL HA H 1 3.73 . . 1 . . . . . . . . 5798 1 574 . 1 1 48 48 VAL HB H 1 1.97 . . 1 . . . . . . . . 5798 1 575 . 1 1 48 48 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 5798 1 576 . 1 1 48 48 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 5798 1 577 . 1 1 48 48 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 5798 1 578 . 1 1 48 48 VAL HG21 H 1 0.89 . . 2 . . . . . . . . 5798 1 579 . 1 1 48 48 VAL HG22 H 1 0.89 . . 2 . . . . . . . . 5798 1 580 . 1 1 48 48 VAL HG23 H 1 0.89 . . 2 . . . . . . . . 5798 1 581 . 1 1 49 49 LYS H H 1 7.66 . . 1 . . . . . . . . 5798 1 582 . 1 1 49 49 LYS C C 13 169.9 . . 1 . . . . . . . . 5798 1 583 . 1 1 49 49 LYS CA C 13 58.72 . . 1 . . . . . . . . 5798 1 584 . 1 1 49 49 LYS CB C 13 32.157 . . 1 . . . . . . . . 5798 1 585 . 1 1 49 49 LYS CD C 13 29.000 . . 1 . . . . . . . . 5798 1 586 . 1 1 49 49 LYS CG C 13 25.27 . . 1 . . . . . . . . 5798 1 587 . 1 1 49 49 LYS CE C 13 42.437 . . 1 . . . . . . . . 5798 1 588 . 1 1 49 49 LYS N N 15 122.89 . . 1 . . . . . . . . 5798 1 589 . 1 1 49 49 LYS HA H 1 4.24 . . 1 . . . . . . . . 5798 1 590 . 1 1 49 49 LYS HB2 H 1 1.908 . . 2 . . . . . . . . 5798 1 591 . 1 1 49 49 LYS HB3 H 1 2.014 . . 2 . . . . . . . . 5798 1 592 . 1 1 49 49 LYS HG2 H 1 1.66 . . 1 . . . . . . . . 5798 1 593 . 1 1 49 49 LYS HG3 H 1 1.66 . . 1 . . . . . . . . 5798 1 594 . 1 1 49 49 LYS HD2 H 1 1.799 . . 2 . . . . . . . . 5798 1 595 . 1 1 49 49 LYS HD3 H 1 1.735 . . 2 . . . . . . . . 5798 1 596 . 1 1 49 49 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 5798 1 597 . 1 1 49 49 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 5798 1 598 . 1 1 50 50 LYS H H 1 8.67 . . 1 . . . . . . . . 5798 1 599 . 1 1 50 50 LYS C C 13 172.9 . . 1 . . . . . . . . 5798 1 600 . 1 1 50 50 LYS CA C 13 61.426 . . 1 . . . . . . . . 5798 1 601 . 1 1 50 50 LYS CB C 13 33.00 . . 1 . . . . . . . . 5798 1 602 . 1 1 50 50 LYS CD C 13 30.237 . . 1 . . . . . . . . 5798 1 603 . 1 1 50 50 LYS CE C 13 41.88 . . 1 . . . . . . . . 5798 1 604 . 1 1 50 50 LYS N N 15 123.19 . . 1 . . . . . . . . 5798 1 605 . 1 1 50 50 LYS HA H 1 4.006 . . 1 . . . . . . . . 5798 1 606 . 1 1 50 50 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 5798 1 607 . 1 1 50 50 LYS HB3 H 1 1.31 . . 2 . . . . . . . . 5798 1 608 . 1 1 50 50 LYS HG2 H 1 1.32 . . 1 . . . . . . . . 5798 1 609 . 1 1 50 50 LYS HG3 H 1 1.32 . . 1 . . . . . . . . 5798 1 610 . 1 1 50 50 LYS HD2 H 1 1.38 . . 2 . . . . . . . . 5798 1 611 . 1 1 50 50 LYS HD3 H 1 1.57 . . 2 . . . . . . . . 5798 1 612 . 1 1 50 50 LYS HE2 H 1 2.909 . . 2 . . . . . . . . 5798 1 613 . 1 1 50 50 LYS HE3 H 1 3.004 . . 2 . . . . . . . . 5798 1 614 . 1 1 51 51 GLN H H 1 7.38 . . 1 . . . . . . . . 5798 1 615 . 1 1 51 51 GLN C C 13 172.6 . . 1 . . . . . . . . 5798 1 616 . 1 1 51 51 GLN CA C 13 59.28 . . 1 . . . . . . . . 5798 1 617 . 1 1 51 51 GLN CB C 13 28.34 . . 1 . . . . . . . . 5798 1 618 . 1 1 51 51 GLN CG C 13 34.37 . . 1 . . . . . . . . 5798 1 619 . 1 1 51 51 GLN N N 15 115.188 . . 1 . . . . . . . . 5798 1 620 . 1 1 51 51 GLN HA H 1 3.708 . . 1 . . . . . . . . 5798 1 621 . 1 1 51 51 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 5798 1 622 . 1 1 51 51 GLN HB3 H 1 2.30 . . 2 . . . . . . . . 5798 1 623 . 1 1 51 51 GLN HG2 H 1 2.34 . . 1 . . . . . . . . 5798 1 624 . 1 1 51 51 GLN HG3 H 1 2.34 . . 1 . . . . . . . . 5798 1 625 . 1 1 51 51 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 5798 1 626 . 1 1 51 51 GLN HE21 H 1 6.80 . . 2 . . . . . . . . 5798 1 627 . 1 1 51 51 GLN HE22 H 1 7.40 . . 2 . . . . . . . . 5798 1 628 . 1 1 52 52 GLN H H 1 8.44 . . 1 . . . . . . . . 5798 1 629 . 1 1 52 52 GLN C C 13 172.6 . . 1 . . . . . . . . 5798 1 630 . 1 1 52 52 GLN CA C 13 59.065 . . 1 . . . . . . . . 5798 1 631 . 1 1 52 52 GLN CB C 13 28.974 . . 1 . . . . . . . . 5798 1 632 . 1 1 52 52 GLN CG C 13 33.98 . . 1 . . . . . . . . 5798 1 633 . 1 1 52 52 GLN N N 15 117.5 . . 1 . . . . . . . . 5798 1 634 . 1 1 52 52 GLN HA H 1 3.964 . . 1 . . . . . . . . 5798 1 635 . 1 1 52 52 GLN HB2 H 1 2.246 . . 2 . . . . . . . . 5798 1 636 . 1 1 52 52 GLN HB3 H 1 2.100 . . 2 . . . . . . . . 5798 1 637 . 1 1 52 52 GLN HG2 H 1 2.436 . . 2 . . . . . . . . 5798 1 638 . 1 1 52 52 GLN HG3 H 1 2.594 . . 2 . . . . . . . . 5798 1 639 . 1 1 52 52 GLN NE2 N 15 111.2 . . 1 . . . . . . . . 5798 1 640 . 1 1 52 52 GLN HE21 H 1 7.404 . . 2 . . . . . . . . 5798 1 641 . 1 1 52 52 GLN HE22 H 1 6.719 . . 2 . . . . . . . . 5798 1 642 . 1 1 53 53 THR H H 1 8.35 . . 1 . . . . . . . . 5798 1 643 . 1 1 53 53 THR C C 13 175.6 . . 1 . . . . . . . . 5798 1 644 . 1 1 53 53 THR CA C 13 66.7 . . 1 . . . . . . . . 5798 1 645 . 1 1 53 53 THR CB C 13 68.71 . . 1 . . . . . . . . 5798 1 646 . 1 1 53 53 THR CG2 C 13 21.783 . . 1 . . . . . . . . 5798 1 647 . 1 1 53 53 THR N N 15 116.3 . . 1 . . . . . . . . 5798 1 648 . 1 1 53 53 THR HA H 1 3.883 . . 1 . . . . . . . . 5798 1 649 . 1 1 53 53 THR HB H 1 4.535 . . 1 . . . . . . . . 5798 1 650 . 1 1 53 53 THR HG21 H 1 1.195 . . 1 . . . . . . . . 5798 1 651 . 1 1 53 53 THR HG22 H 1 1.195 . . 1 . . . . . . . . 5798 1 652 . 1 1 53 53 THR HG23 H 1 1.195 . . 1 . . . . . . . . 5798 1 653 . 1 1 54 54 VAL H H 1 7.25 . . 1 . . . . . . . . 5798 1 654 . 1 1 54 54 VAL C C 13 176.0 . . 1 . . . . . . . . 5798 1 655 . 1 1 54 54 VAL CA C 13 65.1 . . 1 . . . . . . . . 5798 1 656 . 1 1 54 54 VAL CB C 13 31.5 . . 1 . . . . . . . . 5798 1 657 . 1 1 54 54 VAL CG1 C 13 23.5 . . 1 . . . . . . . . 5798 1 658 . 1 1 54 54 VAL CG2 C 13 23.5 . . 1 . . . . . . . . 5798 1 659 . 1 1 54 54 VAL N N 15 118.75 . . 1 . . . . . . . . 5798 1 660 . 1 1 54 54 VAL HG11 H 1 0.796 . . 2 . . . . . . . . 5798 1 661 . 1 1 54 54 VAL HG12 H 1 0.796 . . 2 . . . . . . . . 5798 1 662 . 1 1 54 54 VAL HG13 H 1 0.796 . . 2 . . . . . . . . 5798 1 663 . 1 1 54 54 VAL HG21 H 1 0.92 . . 2 . . . . . . . . 5798 1 664 . 1 1 54 54 VAL HG22 H 1 0.92 . . 2 . . . . . . . . 5798 1 665 . 1 1 54 54 VAL HG23 H 1 0.92 . . 2 . . . . . . . . 5798 1 666 . 1 1 54 54 VAL HB H 1 1.94 . . 1 . . . . . . . . 5798 1 667 . 1 1 54 54 VAL HA H 1 3.65 . . 1 . . . . . . . . 5798 1 668 . 1 1 55 55 TYR H H 1 8.41 . . 1 . . . . . . . . 5798 1 669 . 1 1 55 55 TYR C C 13 171.7 . . 1 . . . . . . . . 5798 1 670 . 1 1 55 55 TYR CA C 13 62.1 . . 1 . . . . . . . . 5798 1 671 . 1 1 55 55 TYR CB C 13 38.9 . . 1 . . . . . . . . 5798 1 672 . 1 1 55 55 TYR N N 15 116.4 . . 1 . . . . . . . . 5798 1 673 . 1 1 55 55 TYR HA H 1 3.836 . . 1 . . . . . . . . 5798 1 674 . 1 1 55 55 TYR HB2 H 1 2.96 . . 2 . . . . . . . . 5798 1 675 . 1 1 55 55 TYR HB3 H 1 2.818 . . 2 . . . . . . . . 5798 1 676 . 1 1 55 55 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 5798 1 677 . 1 1 55 55 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 5798 1 678 . 1 1 55 55 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 5798 1 679 . 1 1 55 55 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 5798 1 680 . 1 1 55 55 TYR CD1 C 13 132.6 . . 1 . . . . . . . . 5798 1 681 . 1 1 55 55 TYR CE1 C 13 118.7 . . 1 . . . . . . . . 5798 1 682 . 1 1 55 55 TYR CD2 C 13 132.6 . . 1 . . . . . . . . 5798 1 683 . 1 1 55 55 TYR CE2 C 13 118.7 . . 1 . . . . . . . . 5798 1 684 . 1 1 56 56 GLY H H 1 7.56 . . 1 . . . . . . . . 5798 1 685 . 1 1 56 56 GLY CA C 13 49.1 . . 1 . . . . . . . . 5798 1 686 . 1 1 56 56 GLY N N 15 102.1 . . 1 . . . . . . . . 5798 1 687 . 1 1 56 56 GLY HA2 H 1 3.849 . . 2 . . . . . . . . 5798 1 688 . 1 1 56 56 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 5798 1 689 . 1 1 57 57 PRO HD2 H 1 3.93 . . 2 . . . . . . . . 5798 1 690 . 1 1 57 57 PRO HD3 H 1 3.600 . . 2 . . . . . . . . 5798 1 691 . 1 1 57 57 PRO CD C 13 51.07 . . 1 . . . . . . . . 5798 1 692 . 1 1 57 57 PRO HG2 H 1 1.874 . . 2 . . . . . . . . 5798 1 693 . 1 1 57 57 PRO HG3 H 1 1.818 . . 2 . . . . . . . . 5798 1 694 . 1 1 57 57 PRO HA H 1 4.475 . . 1 . . . . . . . . 5798 1 695 . 1 1 57 57 PRO HB2 H 1 2.301 . . 2 . . . . . . . . 5798 1 696 . 1 1 57 57 PRO HB3 H 1 1.526 . . 2 . . . . . . . . 5798 1 697 . 1 1 57 57 PRO CA C 13 63.938 . . 1 . . . . . . . . 5798 1 698 . 1 1 57 57 PRO CB C 13 32.32 . . 1 . . . . . . . . 5798 1 699 . 1 1 57 57 PRO CG C 13 27.56 . . 1 . . . . . . . . 5798 1 700 . 1 1 58 58 LEU C C 13 173.6 . . 1 . . . . . . . . 5798 1 701 . 1 1 58 58 LEU CA C 13 54.15 . . 1 . . . . . . . . 5798 1 702 . 1 1 58 58 LEU CB C 13 42.06 . . 1 . . . . . . . . 5798 1 703 . 1 1 58 58 LEU CG C 13 25.90 . . 1 . . . . . . . . 5798 1 704 . 1 1 58 58 LEU CD1 C 13 25.91 . . 1 . . . . . . . . 5798 1 705 . 1 1 58 58 LEU CD2 C 13 22.09 . . 1 . . . . . . . . 5798 1 706 . 1 1 58 58 LEU N N 15 112.7 . . 1 . . . . . . . . 5798 1 707 . 1 1 58 58 LEU H H 1 7.448 . . 1 . . . . . . . . 5798 1 708 . 1 1 58 58 LEU HA H 1 4.48 . . 1 . . . . . . . . 5798 1 709 . 1 1 58 58 LEU HB2 H 1 1.86 . . 2 . . . . . . . . 5798 1 710 . 1 1 58 58 LEU HB3 H 1 1.42 . . 2 . . . . . . . . 5798 1 711 . 1 1 58 58 LEU HG H 1 1.83 . . 1 . . . . . . . . 5798 1 712 . 1 1 58 58 LEU HD11 H 1 0.58 . . 2 . . . . . . . . 5798 1 713 . 1 1 58 58 LEU HD12 H 1 0.58 . . 2 . . . . . . . . 5798 1 714 . 1 1 58 58 LEU HD13 H 1 0.58 . . 2 . . . . . . . . 5798 1 715 . 1 1 58 58 LEU HD21 H 1 0.65 . . 2 . . . . . . . . 5798 1 716 . 1 1 58 58 LEU HD22 H 1 0.65 . . 2 . . . . . . . . 5798 1 717 . 1 1 58 58 LEU HD23 H 1 0.65 . . 2 . . . . . . . . 5798 1 718 . 1 1 59 59 MET H H 1 7.699 . . 1 . . . . . . . . 5798 1 719 . 1 1 59 59 MET C C 13 174.4 . . 1 . . . . . . . . 5798 1 720 . 1 1 59 59 MET CA C 13 59.3 . . 1 . . . . . . . . 5798 1 721 . 1 1 59 59 MET CB C 13 31.64 . . 1 . . . . . . . . 5798 1 722 . 1 1 59 59 MET CG C 13 32.01 . . 1 . . . . . . . . 5798 1 723 . 1 1 59 59 MET N N 15 120.00 . . 1 . . . . . . . . 5798 1 724 . 1 1 59 59 MET HA H 1 3.935 . . 1 . . . . . . . . 5798 1 725 . 1 1 59 59 MET HB2 H 1 2.15 . . 1 . . . . . . . . 5798 1 726 . 1 1 59 59 MET HB3 H 1 2.15 . . 1 . . . . . . . . 5798 1 727 . 1 1 59 59 MET HG2 H 1 2.69 . . 1 . . . . . . . . 5798 1 728 . 1 1 59 59 MET HG3 H 1 2.69 . . 1 . . . . . . . . 5798 1 729 . 1 1 59 59 MET CE C 13 17.05 . . 1 . . . . . . . . 5798 1 730 . 1 1 59 59 MET HE1 H 1 2.16 . . 1 . . . . . . . . 5798 1 731 . 1 1 59 59 MET HE2 H 1 2.16 . . 1 . . . . . . . . 5798 1 732 . 1 1 59 59 MET HE3 H 1 2.16 . . 1 . . . . . . . . 5798 1 733 . 1 1 60 60 GLU H H 1 8.764 . . 1 . . . . . . . . 5798 1 734 . 1 1 60 60 GLU C C 13 176.9 . . 1 . . . . . . . . 5798 1 735 . 1 1 60 60 GLU CA C 13 59.3 . . 1 . . . . . . . . 5798 1 736 . 1 1 60 60 GLU CB C 13 28.86 . . 1 . . . . . . . . 5798 1 737 . 1 1 60 60 GLU N N 15 118.5 . . 1 . . . . . . . . 5798 1 738 . 1 1 60 60 GLU HA H 1 4.617 . . 1 . . . . . . . . 5798 1 739 . 1 1 60 60 GLU HB2 H 1 1.85 . . 2 . . . . . . . . 5798 1 740 . 1 1 60 60 GLU HB3 H 1 3.12 . . 2 . . . . . . . . 5798 1 741 . 1 1 60 60 GLU HG2 H 1 3.22 . . 1 . . . . . . . . 5798 1 742 . 1 1 60 60 GLU HG3 H 1 3.22 . . 1 . . . . . . . . 5798 1 743 . 1 1 61 61 TYR H H 1 8.22 . . 1 . . . . . . . . 5798 1 744 . 1 1 61 61 TYR C C 13 177.5 . . 1 . . . . . . . . 5798 1 745 . 1 1 61 61 TYR CA C 13 57.14 . . 1 . . . . . . . . 5798 1 746 . 1 1 61 61 TYR CB C 13 30.10 . . 1 . . . . . . . . 5798 1 747 . 1 1 61 61 TYR CE1 C 13 118.4 . . 1 . . . . . . . . 5798 1 748 . 1 1 61 61 TYR CE2 C 13 118.4 . . 1 . . . . . . . . 5798 1 749 . 1 1 61 61 TYR CD1 C 13 132.6 . . 1 . . . . . . . . 5798 1 750 . 1 1 61 61 TYR CD2 C 13 132.6 . . 1 . . . . . . . . 5798 1 751 . 1 1 61 61 TYR N N 15 125.42 . . 1 . . . . . . . . 5798 1 752 . 1 1 61 61 TYR HA H 1 4.42 . . 1 . . . . . . . . 5798 1 753 . 1 1 61 61 TYR HB2 H 1 3.10 . . 2 . . . . . . . . 5798 1 754 . 1 1 61 61 TYR HB3 H 1 3.213 . . 2 . . . . . . . . 5798 1 755 . 1 1 61 61 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 5798 1 756 . 1 1 61 61 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 5798 1 757 . 1 1 61 61 TYR HD1 H 1 6.96 . . 1 . . . . . . . . 5798 1 758 . 1 1 61 61 TYR HD2 H 1 6.96 . . 1 . . . . . . . . 5798 1 759 . 1 1 62 62 ILE H H 1 9.04 . . 1 . . . . . . . . 5798 1 760 . 1 1 62 62 ILE C C 13 172.7 . . 1 . . . . . . . . 5798 1 761 . 1 1 62 62 ILE CA C 13 63.88 . . 1 . . . . . . . . 5798 1 762 . 1 1 62 62 ILE CB C 13 38.59 . . 1 . . . . . . . . 5798 1 763 . 1 1 62 62 ILE CG1 C 13 29.23 . . 2 . . . . . . . . 5798 1 764 . 1 1 62 62 ILE CG2 C 13 17.12 . . 2 . . . . . . . . 5798 1 765 . 1 1 62 62 ILE CD1 C 13 13.86 . . 1 . . . . . . . . 5798 1 766 . 1 1 62 62 ILE N N 15 126.2 . . 1 . . . . . . . . 5798 1 767 . 1 1 62 62 ILE HD11 H 1 0.725 . . 1 . . . . . . . . 5798 1 768 . 1 1 62 62 ILE HD12 H 1 0.725 . . 1 . . . . . . . . 5798 1 769 . 1 1 62 62 ILE HD13 H 1 0.725 . . 1 . . . . . . . . 5798 1 770 . 1 1 62 62 ILE HG21 H 1 0.98 . . 1 . . . . . . . . 5798 1 771 . 1 1 62 62 ILE HG22 H 1 0.98 . . 1 . . . . . . . . 5798 1 772 . 1 1 62 62 ILE HG23 H 1 0.98 . . 1 . . . . . . . . 5798 1 773 . 1 1 62 62 ILE HG12 H 1 1.627 . . 2 . . . . . . . . 5798 1 774 . 1 1 62 62 ILE HG13 H 1 0.97 . . 2 . . . . . . . . 5798 1 775 . 1 1 62 62 ILE HB H 1 1.883 . . 1 . . . . . . . . 5798 1 776 . 1 1 62 62 ILE HA H 1 4.19 . . 1 . . . . . . . . 5798 1 777 . 1 1 63 63 ALA H H 1 7.81 . . 1 . . . . . . . . 5798 1 778 . 1 1 63 63 ALA C C 13 172.8 . . 1 . . . . . . . . 5798 1 779 . 1 1 63 63 ALA CA C 13 55.07 . . 1 . . . . . . . . 5798 1 780 . 1 1 63 63 ALA CB C 13 18.46 . . 1 . . . . . . . . 5798 1 781 . 1 1 63 63 ALA N N 15 119.9 . . 1 . . . . . . . . 5798 1 782 . 1 1 63 63 ALA HA H 1 4.132 . . 1 . . . . . . . . 5798 1 783 . 1 1 63 63 ALA HB1 H 1 1.432 . . 1 . . . . . . . . 5798 1 784 . 1 1 63 63 ALA HB2 H 1 1.432 . . 1 . . . . . . . . 5798 1 785 . 1 1 63 63 ALA HB3 H 1 1.432 . . 1 . . . . . . . . 5798 1 786 . 1 1 64 64 ASP H H 1 7.887 . . 1 . . . . . . . . 5798 1 787 . 1 1 64 64 ASP CA C 13 53.88 . . 1 . . . . . . . . 5798 1 788 . 1 1 64 64 ASP CB C 13 39.28 . . 1 . . . . . . . . 5798 1 789 . 1 1 64 64 ASP N N 15 120.4 . . 1 . . . . . . . . 5798 1 790 . 1 1 65 65 ASN HA H 1 4.38 . . 1 . . . . . . . . 5798 1 791 . 1 1 65 65 ASN HB2 H 1 3.05 . . 2 . . . . . . . . 5798 1 792 . 1 1 65 65 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 5798 1 793 . 1 1 65 65 ASN CA C 13 54.7 . . 1 . . . . . . . . 5798 1 794 . 1 1 65 65 ASN CB C 13 37.7 . . 1 . . . . . . . . 5798 1 795 . 1 1 65 65 ASN N N 15 113.623 . . 1 . . . . . . . . 5798 1 796 . 1 1 65 65 ASN H H 1 7.966 . . 1 . . . . . . . . 5798 1 797 . 1 1 65 65 ASN ND2 N 15 112.8 . . 1 . . . . . . . . 5798 1 798 . 1 1 65 65 ASN HD21 H 1 7.662 . . 2 . . . . . . . . 5798 1 799 . 1 1 65 65 ASN HD22 H 1 6.931 . . 2 . . . . . . . . 5798 1 800 . 1 1 66 66 ARG C C 13 172.5 . . 1 . . . . . . . . 5798 1 801 . 1 1 66 66 ARG CA C 13 58.21 . . 1 . . . . . . . . 5798 1 802 . 1 1 66 66 ARG CB C 13 30.9 . . 1 . . . . . . . . 5798 1 803 . 1 1 66 66 ARG N N 15 117.11 . . 1 . . . . . . . . 5798 1 804 . 1 1 66 66 ARG H H 1 8.25 . . 1 . . . . . . . . 5798 1 805 . 1 1 66 66 ARG HA H 1 4.22 . . 1 . . . . . . . . 5798 1 806 . 1 1 66 66 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 5798 1 807 . 1 1 66 66 ARG HB3 H 1 1.91 . . 1 . . . . . . . . 5798 1 808 . 1 1 66 66 ARG HD2 H 1 2.96 . . 1 . . . . . . . . 5798 1 809 . 1 1 66 66 ARG HD3 H 1 2.96 . . 1 . . . . . . . . 5798 1 810 . 1 1 67 67 ILE H H 1 8.73 . . 1 . . . . . . . . 5798 1 811 . 1 1 67 67 ILE C C 13 174.2 . . 1 . . . . . . . . 5798 1 812 . 1 1 67 67 ILE CA C 13 60.74 . . 1 . . . . . . . . 5798 1 813 . 1 1 67 67 ILE CB C 13 40.65 . . 1 . . . . . . . . 5798 1 814 . 1 1 67 67 ILE CG2 C 13 17.76 . . 1 . . . . . . . . 5798 1 815 . 1 1 67 67 ILE CG1 C 13 27.24 . . 1 . . . . . . . . 5798 1 816 . 1 1 67 67 ILE N N 15 116.08 . . 1 . . . . . . . . 5798 1 817 . 1 1 67 67 ILE HG21 H 1 0.69 . . 1 . . . . . . . . 5798 1 818 . 1 1 67 67 ILE HG22 H 1 0.69 . . 1 . . . . . . . . 5798 1 819 . 1 1 67 67 ILE HG23 H 1 0.69 . . 1 . . . . . . . . 5798 1 820 . 1 1 67 67 ILE HA H 1 4.11 . . 1 . . . . . . . . 5798 1 821 . 1 1 67 67 ILE HB H 1 1.448 . . 1 . . . . . . . . 5798 1 822 . 1 1 67 67 ILE HG12 H 1 0.696 . . 2 . . . . . . . . 5798 1 823 . 1 1 67 67 ILE HG13 H 1 1.28 . . 2 . . . . . . . . 5798 1 824 . 1 1 67 67 ILE CD1 C 13 14.13 . . 1 . . . . . . . . 5798 1 825 . 1 1 67 67 ILE HD11 H 1 0.525 . . 1 . . . . . . . . 5798 1 826 . 1 1 67 67 ILE HD12 H 1 0.525 . . 1 . . . . . . . . 5798 1 827 . 1 1 67 67 ILE HD13 H 1 0.525 . . 1 . . . . . . . . 5798 1 828 . 1 1 68 68 HIS H H 1 7.88 . . 1 . . . . . . . . 5798 1 829 . 1 1 68 68 HIS CA C 13 57.0 . . 1 . . . . . . . . 5798 1 830 . 1 1 68 68 HIS CB C 13 29.787 . . 1 . . . . . . . . 5798 1 831 . 1 1 68 68 HIS N N 15 123.215 . . 1 . . . . . . . . 5798 1 832 . 1 1 68 68 HIS HA H 1 4.762 . . 1 . . . . . . . . 5798 1 833 . 1 1 68 68 HIS HB2 H 1 3.30 . . 2 . . . . . . . . 5798 1 834 . 1 1 68 68 HIS HB3 H 1 3.10 . . 2 . . . . . . . . 5798 1 835 . 1 1 68 68 HIS HD2 H 1 6.35 . . 1 . . . . . . . . 5798 1 836 . 1 1 69 69 ALA CA C 13 52.056 . . 1 . . . . . . . . 5798 1 837 . 1 1 69 69 ALA CB C 13 21.780 . . 1 . . . . . . . . 5798 1 838 . 1 1 69 69 ALA N N 15 120.30 . . 1 . . . . . . . . 5798 1 839 . 1 1 69 69 ALA H H 1 7.92 . . 1 . . . . . . . . 5798 1 840 . 1 1 69 69 ALA HA H 1 4.586 . . 1 . . . . . . . . 5798 1 841 . 1 1 69 69 ALA HB1 H 1 1.365 . . 1 . . . . . . . . 5798 1 842 . 1 1 69 69 ALA HB2 H 1 1.365 . . 1 . . . . . . . . 5798 1 843 . 1 1 69 69 ALA HB3 H 1 1.365 . . 1 . . . . . . . . 5798 1 844 . 1 1 70 70 VAL C C 13 171.5 . . 1 . . . . . . . . 5798 1 845 . 1 1 70 70 VAL CA C 13 59.69 . . 1 . . . . . . . . 5798 1 846 . 1 1 70 70 VAL CB C 13 35.05 . . 1 . . . . . . . . 5798 1 847 . 1 1 70 70 VAL CG1 C 13 21.99 . . 1 . . . . . . . . 5798 1 848 . 1 1 70 70 VAL CG2 C 13 21.99 . . 1 . . . . . . . . 5798 1 849 . 1 1 70 70 VAL N N 15 119.11 . . 1 . . . . . . . . 5798 1 850 . 1 1 70 70 VAL H H 1 8.71 . . 1 . . . . . . . . 5798 1 851 . 1 1 70 70 VAL HA H 1 5.24 . . 1 . . . . . . . . 5798 1 852 . 1 1 70 70 VAL HB H 1 1.93 . . 1 . . . . . . . . 5798 1 853 . 1 1 70 70 VAL HG11 H 1 0.80 . . 1 . . . . . . . . 5798 1 854 . 1 1 70 70 VAL HG12 H 1 0.80 . . 1 . . . . . . . . 5798 1 855 . 1 1 70 70 VAL HG13 H 1 0.80 . . 1 . . . . . . . . 5798 1 856 . 1 1 70 70 VAL HG21 H 1 0.80 . . 1 . . . . . . . . 5798 1 857 . 1 1 70 70 VAL HG22 H 1 0.80 . . 1 . . . . . . . . 5798 1 858 . 1 1 70 70 VAL HG23 H 1 0.80 . . 1 . . . . . . . . 5798 1 859 . 1 1 71 71 SER H H 1 8.58 . . 1 . . . . . . . . 5798 1 860 . 1 1 71 71 SER C C 13 172.4 . . 1 . . . . . . . . 5798 1 861 . 1 1 71 71 SER CA C 13 57.1 . . 1 . . . . . . . . 5798 1 862 . 1 1 71 71 SER CB C 13 64.83 . . 1 . . . . . . . . 5798 1 863 . 1 1 71 71 SER N N 15 122.2 . . 1 . . . . . . . . 5798 1 864 . 1 1 71 71 SER HA H 1 4.83 . . 1 . . . . . . . . 5798 1 865 . 1 1 71 71 SER HB2 H 1 3.80 . . 2 . . . . . . . . 5798 1 866 . 1 1 71 71 SER HB3 H 1 3.88 . . 2 . . . . . . . . 5798 1 867 . 1 1 72 72 ILE H H 1 9.03 . . 1 . . . . . . . . 5798 1 868 . 1 1 72 72 ILE C C 13 175.2 . . 1 . . . . . . . . 5798 1 869 . 1 1 72 72 ILE CA C 13 60.63 . . 1 . . . . . . . . 5798 1 870 . 1 1 72 72 ILE CB C 13 41.27 . . 1 . . . . . . . . 5798 1 871 . 1 1 72 72 ILE CG1 C 13 28.49 . . 2 . . . . . . . . 5798 1 872 . 1 1 72 72 ILE CG2 C 13 17.41 . . 2 . . . . . . . . 5798 1 873 . 1 1 72 72 ILE CD1 C 13 14.24 . . 1 . . . . . . . . 5798 1 874 . 1 1 72 72 ILE N N 15 126.377 . . 1 . . . . . . . . 5798 1 875 . 1 1 72 72 ILE HA H 1 4.749 . . 1 . . . . . . . . 5798 1 876 . 1 1 72 72 ILE HB H 1 1.64 . . 1 . . . . . . . . 5798 1 877 . 1 1 72 72 ILE HG21 H 1 0.523 . . 1 . . . . . . . . 5798 1 878 . 1 1 72 72 ILE HG22 H 1 0.523 . . 1 . . . . . . . . 5798 1 879 . 1 1 72 72 ILE HG23 H 1 0.523 . . 1 . . . . . . . . 5798 1 880 . 1 1 72 72 ILE HG12 H 1 1.334 . . 1 . . . . . . . . 5798 1 881 . 1 1 72 72 ILE HG13 H 1 1.334 . . 1 . . . . . . . . 5798 1 882 . 1 1 72 72 ILE HD11 H 1 0.53 . . 1 . . . . . . . . 5798 1 883 . 1 1 72 72 ILE HD12 H 1 0.53 . . 1 . . . . . . . . 5798 1 884 . 1 1 72 72 ILE HD13 H 1 0.53 . . 1 . . . . . . . . 5798 1 885 . 1 1 73 73 LYS H H 1 8.78 . . 1 . . . . . . . . 5798 1 886 . 1 1 73 73 LYS C C 13 177.8 . . 1 . . . . . . . . 5798 1 887 . 1 1 73 73 LYS CA C 13 55.5 . . 1 . . . . . . . . 5798 1 888 . 1 1 73 73 LYS CB C 13 35.4 . . 1 . . . . . . . . 5798 1 889 . 1 1 73 73 LYS CD C 13 29.20 . . 1 . . . . . . . . 5798 1 890 . 1 1 73 73 LYS CG C 13 24.93 . . 1 . . . . . . . . 5798 1 891 . 1 1 73 73 LYS CE C 13 42.37 . . 1 . . . . . . . . 5798 1 892 . 1 1 73 73 LYS N N 15 128.5 . . 1 . . . . . . . . 5798 1 893 . 1 1 73 73 LYS HA H 1 4.35 . . 1 . . . . . . . . 5798 1 894 . 1 1 73 73 LYS HB2 H 1 1.62 . . 2 . . . . . . . . 5798 1 895 . 1 1 73 73 LYS HB3 H 1 1.588 . . 2 . . . . . . . . 5798 1 896 . 1 1 73 73 LYS HG2 H 1 1.29 . . 1 . . . . . . . . 5798 1 897 . 1 1 73 73 LYS HG3 H 1 1.29 . . 1 . . . . . . . . 5798 1 898 . 1 1 73 73 LYS HD2 H 1 1.28 . . 1 . . . . . . . . 5798 1 899 . 1 1 73 73 LYS HD3 H 1 1.28 . . 1 . . . . . . . . 5798 1 900 . 1 1 73 73 LYS HE2 H 1 2.969 . . 1 . . . . . . . . 5798 1 901 . 1 1 73 73 LYS HE3 H 1 2.969 . . 1 . . . . . . . . 5798 1 902 . 1 1 74 74 ALA H H 1 8.10 . . 1 . . . . . . . . 5798 1 903 . 1 1 74 74 ALA C C 13 175.0 . . 1 . . . . . . . . 5798 1 904 . 1 1 74 74 ALA CA C 13 49.79 . . 1 . . . . . . . . 5798 1 905 . 1 1 74 74 ALA CB C 13 19.97 . . 1 . . . . . . . . 5798 1 906 . 1 1 74 74 ALA N N 15 126.5 . . 1 . . . . . . . . 5798 1 907 . 1 1 74 74 ALA HA H 1 5.055 . . 1 . . . . . . . . 5798 1 908 . 1 1 74 74 ALA HB1 H 1 -0.112 . . 1 . . . . . . . . 5798 1 909 . 1 1 74 74 ALA HB2 H 1 -0.112 . . 1 . . . . . . . . 5798 1 910 . 1 1 74 74 ALA HB3 H 1 -0.112 . . 1 . . . . . . . . 5798 1 911 . 1 1 75 75 TYR H H 1 8.79 . . 1 . . . . . . . . 5798 1 912 . 1 1 75 75 TYR C C 13 174.2 . . 1 . . . . . . . . 5798 1 913 . 1 1 75 75 TYR CA C 13 56.42 . . 1 . . . . . . . . 5798 1 914 . 1 1 75 75 TYR CB C 13 44.35 . . 1 . . . . . . . . 5798 1 915 . 1 1 75 75 TYR N N 15 120.6 . . 1 . . . . . . . . 5798 1 916 . 1 1 75 75 TYR HA H 1 5.14 . . 1 . . . . . . . . 5798 1 917 . 1 1 75 75 TYR HB2 H 1 3.656 . . 2 . . . . . . . . 5798 1 918 . 1 1 75 75 TYR HB3 H 1 2.544 . . 2 . . . . . . . . 5798 1 919 . 1 1 75 75 TYR HE1 H 1 6.80 . . 1 . . . . . . . . 5798 1 920 . 1 1 75 75 TYR HE2 H 1 6.80 . . 1 . . . . . . . . 5798 1 921 . 1 1 75 75 TYR HD1 H 1 6.92 . . 1 . . . . . . . . 5798 1 922 . 1 1 75 75 TYR HD2 H 1 6.92 . . 1 . . . . . . . . 5798 1 923 . 1 1 75 75 TYR CD1 C 13 133.2 . . 1 . . . . . . . . 5798 1 924 . 1 1 75 75 TYR CE1 C 13 118.9 . . 1 . . . . . . . . 5798 1 925 . 1 1 75 75 TYR CD2 C 13 133.2 . . 1 . . . . . . . . 5798 1 926 . 1 1 75 75 TYR CE2 C 13 118.9 . . 1 . . . . . . . . 5798 1 927 . 1 1 76 76 THR H H 1 9.23 . . 1 . . . . . . . . 5798 1 928 . 1 1 76 76 THR CA C 13 60.38 . . 1 . . . . . . . . 5798 1 929 . 1 1 76 76 THR CB C 13 67.798 . . 1 . . . . . . . . 5798 1 930 . 1 1 76 76 THR CG2 C 13 22.04 . . 1 . . . . . . . . 5798 1 931 . 1 1 76 76 THR N N 15 112.7 . . 1 . . . . . . . . 5798 1 932 . 1 1 76 76 THR HA H 1 5.15 . . 1 . . . . . . . . 5798 1 933 . 1 1 76 76 THR HB H 1 4.81 . . 1 . . . . . . . . 5798 1 934 . 1 1 76 76 THR HG21 H 1 1.445 . . 1 . . . . . . . . 5798 1 935 . 1 1 76 76 THR HG22 H 1 1.445 . . 1 . . . . . . . . 5798 1 936 . 1 1 76 76 THR HG23 H 1 1.445 . . 1 . . . . . . . . 5798 1 937 . 1 1 77 77 PRO C C 13 171.4 . . 1 . . . . . . . . 5798 1 938 . 1 1 77 77 PRO CA C 13 66.57 . . 1 . . . . . . . . 5798 1 939 . 1 1 77 77 PRO CB C 13 31.78 . . 1 . . . . . . . . 5798 1 940 . 1 1 77 77 PRO CG C 13 28.75 . . 1 . . . . . . . . 5798 1 941 . 1 1 77 77 PRO CD C 13 49.509 . . 1 . . . . . . . . 5798 1 942 . 1 1 77 77 PRO HA H 1 4.10 . . 1 . . . . . . . . 5798 1 943 . 1 1 77 77 PRO HB2 H 1 2.065 . . 2 . . . . . . . . 5798 1 944 . 1 1 77 77 PRO HB3 H 1 2.651 . . 2 . . . . . . . . 5798 1 945 . 1 1 77 77 PRO HG2 H 1 2.388 . . 2 . . . . . . . . 5798 1 946 . 1 1 77 77 PRO HG3 H 1 1.68 . . 2 . . . . . . . . 5798 1 947 . 1 1 77 77 PRO HD2 H 1 3.42 . . 2 . . . . . . . . 5798 1 948 . 1 1 77 77 PRO HD3 H 1 4.05 . . 2 . . . . . . . . 5798 1 949 . 1 1 78 78 ALA H H 1 8.65 . . 1 . . . . . . . . 5798 1 950 . 1 1 78 78 ALA C C 13 169.6 . . 1 . . . . . . . . 5798 1 951 . 1 1 78 78 ALA CA C 13 54.96 . . 1 . . . . . . . . 5798 1 952 . 1 1 78 78 ALA CB C 13 18.65 . . 1 . . . . . . . . 5798 1 953 . 1 1 78 78 ALA HA H 1 4.19 . . 1 . . . . . . . . 5798 1 954 . 1 1 78 78 ALA HB1 H 1 1.454 . . 1 . . . . . . . . 5798 1 955 . 1 1 78 78 ALA HB2 H 1 1.454 . . 1 . . . . . . . . 5798 1 956 . 1 1 78 78 ALA HB3 H 1 1.454 . . 1 . . . . . . . . 5798 1 957 . 1 1 78 78 ALA N N 15 119.9 . . 1 . . . . . . . . 5798 1 958 . 1 1 79 79 GLU H H 1 7.73 . . 1 . . . . . . . . 5798 1 959 . 1 1 79 79 GLU C C 13 171.2 . . 1 . . . . . . . . 5798 1 960 . 1 1 79 79 GLU CA C 13 59.014 . . 1 . . . . . . . . 5798 1 961 . 1 1 79 79 GLU CB C 13 31.02 . . 1 . . . . . . . . 5798 1 962 . 1 1 79 79 GLU CG C 13 36.90 . . 1 . . . . . . . . 5798 1 963 . 1 1 79 79 GLU N N 15 118.8 . . 1 . . . . . . . . 5798 1 964 . 1 1 79 79 GLU HA H 1 3.965 . . 1 . . . . . . . . 5798 1 965 . 1 1 79 79 GLU HB2 H 1 2.26 . . 2 . . . . . . . . 5798 1 966 . 1 1 79 79 GLU HB3 H 1 2.68 . . 2 . . . . . . . . 5798 1 967 . 1 1 79 79 GLU HG2 H 1 2.39 . . 2 . . . . . . . . 5798 1 968 . 1 1 79 79 GLU HG3 H 1 2.508 . . 2 . . . . . . . . 5798 1 969 . 1 1 80 80 TRP H H 1 8.72 . . 1 . . . . . . . . 5798 1 970 . 1 1 80 80 TRP C C 13 174.0 . . 1 . . . . . . . . 5798 1 971 . 1 1 80 80 TRP CA C 13 58.48 . . 1 . . . . . . . . 5798 1 972 . 1 1 80 80 TRP CB C 13 31.7 . . 1 . . . . . . . . 5798 1 973 . 1 1 80 80 TRP HA H 1 4.20 . . 1 . . . . . . . . 5798 1 974 . 1 1 80 80 TRP HB2 H 1 2.92 . . 2 . . . . . . . . 5798 1 975 . 1 1 80 80 TRP HB3 H 1 3.16 . . 2 . . . . . . . . 5798 1 976 . 1 1 80 80 TRP N N 15 121.35 . . 1 . . . . . . . . 5798 1 977 . 1 1 80 80 TRP NE1 N 15 127.8 . . 1 . . . . . . . . 5798 1 978 . 1 1 80 80 TRP HE1 H 1 9.485 . . 1 . . . . . . . . 5798 1 979 . 1 1 80 80 TRP HZ2 H 1 6.712 . . 1 . . . . . . . . 5798 1 980 . 1 1 80 80 TRP CZ2 C 13 124.1 . . 1 . . . . . . . . 5798 1 981 . 1 1 80 80 TRP HH2 H 1 6.842 . . 1 . . . . . . . . 5798 1 982 . 1 1 80 80 TRP HE3 H 1 7.13 . . 1 . . . . . . . . 5798 1 983 . 1 1 80 80 TRP CE3 C 13 131.9 . . 1 . . . . . . . . 5798 1 984 . 1 1 80 80 TRP HD1 H 1 7.04 . . 1 . . . . . . . . 5798 1 985 . 1 1 80 80 TRP CD1 C 13 127.2 . . 1 . . . . . . . . 5798 1 986 . 1 1 80 80 TRP CH2 C 13 113.6 . . 1 . . . . . . . . 5798 1 987 . 1 1 81 81 ALA H H 1 8.05 . . 1 . . . . . . . . 5798 1 988 . 1 1 81 81 ALA C C 13 170.8 . . 1 . . . . . . . . 5798 1 989 . 1 1 81 81 ALA CA C 13 54.62 . . 1 . . . . . . . . 5798 1 990 . 1 1 81 81 ALA CB C 13 18.05 . . 1 . . . . . . . . 5798 1 991 . 1 1 81 81 ALA HA H 1 3.757 . . 1 . . . . . . . . 5798 1 992 . 1 1 81 81 ALA HB1 H 1 1.422 . . 1 . . . . . . . . 5798 1 993 . 1 1 81 81 ALA HB2 H 1 1.422 . . 1 . . . . . . . . 5798 1 994 . 1 1 81 81 ALA HB3 H 1 1.422 . . 1 . . . . . . . . 5798 1 995 . 1 1 81 81 ALA N N 15 119.1 . . 1 . . . . . . . . 5798 1 996 . 1 1 82 82 ARG H H 1 7.30 . . 1 . . . . . . . . 5798 1 997 . 1 1 82 82 ARG C C 13 172.9 . . 1 . . . . . . . . 5798 1 998 . 1 1 82 82 ARG CA C 13 58.4 . . 1 . . . . . . . . 5798 1 999 . 1 1 82 82 ARG CB C 13 30.52 . . 1 . . . . . . . . 5798 1 1000 . 1 1 82 82 ARG CG C 13 27.215 . . 1 . . . . . . . . 5798 1 1001 . 1 1 82 82 ARG CD C 13 43.71 . . 1 . . . . . . . . 5798 1 1002 . 1 1 82 82 ARG HA H 1 4.04 . . 1 . . . . . . . . 5798 1 1003 . 1 1 82 82 ARG HB2 H 1 1.91 . . 2 . . . . . . . . 5798 1 1004 . 1 1 82 82 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 5798 1 1005 . 1 1 82 82 ARG HG2 H 1 1.81 . . 2 . . . . . . . . 5798 1 1006 . 1 1 82 82 ARG HG3 H 1 1.573 . . 2 . . . . . . . . 5798 1 1007 . 1 1 82 82 ARG HD2 H 1 3.255 . . 2 . . . . . . . . 5798 1 1008 . 1 1 82 82 ARG HD3 H 1 3.22 . . 2 . . . . . . . . 5798 1 1009 . 1 1 82 82 ARG N N 15 116.3 . . 1 . . . . . . . . 5798 1 1010 . 1 1 83 83 ASP H H 1 7.84 . . 1 . . . . . . . . 5798 1 1011 . 1 1 83 83 ASP C C 13 172.8 . . 1 . . . . . . . . 5798 1 1012 . 1 1 83 83 ASP CA C 13 56.5 . . 1 . . . . . . . . 5798 1 1013 . 1 1 83 83 ASP CB C 13 41.6 . . 1 . . . . . . . . 5798 1 1014 . 1 1 83 83 ASP HA H 1 4.406 . . 1 . . . . . . . . 5798 1 1015 . 1 1 83 83 ASP HB2 H 1 2.505 . . 2 . . . . . . . . 5798 1 1016 . 1 1 83 83 ASP HB3 H 1 2.50 . . 2 . . . . . . . . 5798 1 1017 . 1 1 83 83 ASP N N 15 119.9 . . 1 . . . . . . . . 5798 1 1018 . 1 1 84 84 ARG H H 1 7.96 . . 1 . . . . . . . . 5798 1 1019 . 1 1 84 84 ARG C C 13 173.0 . . 1 . . . . . . . . 5798 1 1020 . 1 1 84 84 ARG CA C 13 57.8 . . 1 . . . . . . . . 5798 1 1021 . 1 1 84 84 ARG CB C 13 29.67 . . 1 . . . . . . . . 5798 1 1022 . 1 1 84 84 ARG CG C 13 25.89 . . 1 . . . . . . . . 5798 1 1023 . 1 1 84 84 ARG CD C 13 43.2 . . 1 . . . . . . . . 5798 1 1024 . 1 1 84 84 ARG HA H 1 3.467 . . 1 . . . . . . . . 5798 1 1025 . 1 1 84 84 ARG HB2 H 1 1.158 . . 2 . . . . . . . . 5798 1 1026 . 1 1 84 84 ARG HB3 H 1 0.997 . . 2 . . . . . . . . 5798 1 1027 . 1 1 84 84 ARG HG2 H 1 0.85 . . 1 . . . . . . . . 5798 1 1028 . 1 1 84 84 ARG HG3 H 1 0.85 . . 1 . . . . . . . . 5798 1 1029 . 1 1 84 84 ARG HD2 H 1 2.454 . . 2 . . . . . . . . 5798 1 1030 . 1 1 84 84 ARG HD3 H 1 2.44 . . 2 . . . . . . . . 5798 1 1031 . 1 1 84 84 ARG N N 15 119.18 . . 1 . . . . . . . . 5798 1 1032 . 1 1 85 85 LYS H H 1 7.57 . . 1 . . . . . . . . 5798 1 1033 . 1 1 85 85 LYS C C 13 174.1 . . 1 . . . . . . . . 5798 1 1034 . 1 1 85 85 LYS CA C 13 57.90 . . 1 . . . . . . . . 5798 1 1035 . 1 1 85 85 LYS CB C 13 32.2 . . 1 . . . . . . . . 5798 1 1036 . 1 1 85 85 LYS CD C 13 29.3 . . 1 . . . . . . . . 5798 1 1037 . 1 1 85 85 LYS CG C 13 24.78 . . 1 . . . . . . . . 5798 1 1038 . 1 1 85 85 LYS CE C 13 42.01 . . 1 . . . . . . . . 5798 1 1039 . 1 1 85 85 LYS HA H 1 3.99 . . 1 . . . . . . . . 5798 1 1040 . 1 1 85 85 LYS HB2 H 1 1.78 . . 1 . . . . . . . . 5798 1 1041 . 1 1 85 85 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 5798 1 1042 . 1 1 85 85 LYS HG2 H 1 1.62 . . 1 . . . . . . . . 5798 1 1043 . 1 1 85 85 LYS HG3 H 1 1.62 . . 1 . . . . . . . . 5798 1 1044 . 1 1 85 85 LYS HD2 H 1 1.283 . . 2 . . . . . . . . 5798 1 1045 . 1 1 85 85 LYS HD3 H 1 1.37 . . 2 . . . . . . . . 5798 1 1046 . 1 1 85 85 LYS HE2 H 1 2.90 . . 1 . . . . . . . . 5798 1 1047 . 1 1 85 85 LYS HE3 H 1 2.90 . . 1 . . . . . . . . 5798 1 1048 . 1 1 85 85 LYS N N 15 119.0 . . 1 . . . . . . . . 5798 1 1049 . 1 1 86 86 LEU H H 1 7.82 . . 1 . . . . . . . . 5798 1 1050 . 1 1 86 86 LEU CA C 13 56.1 . . 1 . . . . . . . . 5798 1 1051 . 1 1 86 86 LEU CB C 13 42.2 . . 1 . . . . . . . . 5798 1 1052 . 1 1 86 86 LEU CG C 13 27.1 . . 1 . . . . . . . . 5798 1 1053 . 1 1 86 86 LEU CD1 C 13 24.8 . . 2 . . . . . . . . 5798 1 1054 . 1 1 86 86 LEU CD2 C 13 23.05 . . 2 . . . . . . . . 5798 1 1055 . 1 1 86 86 LEU HA H 1 4.19 . . 1 . . . . . . . . 5798 1 1056 . 1 1 86 86 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 5798 1 1057 . 1 1 86 86 LEU HB3 H 1 1.65 . . 2 . . . . . . . . 5798 1 1058 . 1 1 86 86 LEU HG H 1 1.59 . . 1 . . . . . . . . 5798 1 1059 . 1 1 86 86 LEU HD11 H 1 0.856 . . 2 . . . . . . . . 5798 1 1060 . 1 1 86 86 LEU HD12 H 1 0.856 . . 2 . . . . . . . . 5798 1 1061 . 1 1 86 86 LEU HD13 H 1 0.856 . . 2 . . . . . . . . 5798 1 1062 . 1 1 86 86 LEU HD21 H 1 0.808 . . 2 . . . . . . . . 5798 1 1063 . 1 1 86 86 LEU HD22 H 1 0.808 . . 2 . . . . . . . . 5798 1 1064 . 1 1 86 86 LEU HD23 H 1 0.808 . . 2 . . . . . . . . 5798 1 1065 . 1 1 86 86 LEU N N 15 119.97 . . 1 . . . . . . . . 5798 1 1066 . 1 1 87 87 ASN CA C 13 53.9 . . 1 . . . . . . . . 5798 1 1067 . 1 1 87 87 ASN CB C 13 39.36 . . 1 . . . . . . . . 5798 1 1068 . 1 1 87 87 ASN HA H 1 4.611 . . 1 . . . . . . . . 5798 1 1069 . 1 1 87 87 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 5798 1 1070 . 1 1 87 87 ASN HB3 H 1 2.538 . . 2 . . . . . . . . 5798 1 1071 . 1 1 87 87 ASN N N 15 116.625 . . 1 . . . . . . . . 5798 1 1072 . 1 1 87 87 ASN H H 1 7.96 . . 1 . . . . . . . . 5798 1 1073 . 1 1 87 87 ASN HD21 H 1 6.80 . . 2 . . . . . . . . 5798 1 1074 . 1 1 87 87 ASN HD22 H 1 7.37 . . 2 . . . . . . . . 5798 1 1075 . 1 1 87 87 ASN ND2 N 15 113.6 . . 1 . . . . . . . . 5798 1 1076 . 1 1 88 88 GLY C C 13 174.8 . . 1 . . . . . . . . 5798 1 1077 . 1 1 88 88 GLY CA C 13 45.898 . . 1 . . . . . . . . 5798 1 1078 . 1 1 88 88 GLY HA2 H 1 3.83 . . 1 . . . . . . . . 5798 1 1079 . 1 1 88 88 GLY HA3 H 1 3.83 . . 1 . . . . . . . . 5798 1 1080 . 1 1 88 88 GLY N N 15 108.4 . . 1 . . . . . . . . 5798 1 1081 . 1 1 88 88 GLY H H 1 8.02 . . 1 . . . . . . . . 5798 1 1082 . 1 1 89 89 PHE H H 1 7.92 . . 1 . . . . . . . . 5798 1 1083 . 1 1 89 89 PHE C C 13 174.5 . . 1 . . . . . . . . 5798 1 1084 . 1 1 89 89 PHE CA C 13 58.5 . . 1 . . . . . . . . 5798 1 1085 . 1 1 89 89 PHE CB C 13 39.3 . . 1 . . . . . . . . 5798 1 1086 . 1 1 89 89 PHE HA H 1 4.45 . . 1 . . . . . . . . 5798 1 1087 . 1 1 89 89 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 5798 1 1088 . 1 1 89 89 PHE HB3 H 1 3.034 . . 2 . . . . . . . . 5798 1 1089 . 1 1 89 89 PHE N N 15 119.903 . . 1 . . . . . . . . 5798 1 1090 . 1 1 89 89 PHE HD2 H 1 7.138 . . 1 . . . . . . . . 5798 1 1091 . 1 1 89 89 PHE HD1 H 1 7.138 . . 1 . . . . . . . . 5798 1 1092 . 1 1 89 89 PHE HE1 H 1 7.225 . . 1 . . . . . . . . 5798 1 1093 . 1 1 89 89 PHE HE2 H 1 7.225 . . 1 . . . . . . . . 5798 1 1094 . 1 1 89 89 PHE CD1 C 13 129.8 . . 1 . . . . . . . . 5798 1 1095 . 1 1 89 89 PHE CE1 C 13 131.6 . . 1 . . . . . . . . 5798 1 1096 . 1 1 89 89 PHE CD2 C 13 129.8 . . 1 . . . . . . . . 5798 1 1097 . 1 1 89 89 PHE CE2 C 13 131.6 . . 1 . . . . . . . . 5798 1 1098 . 1 1 90 90 LEU H H 1 8.01 . . 1 . . . . . . . . 5798 1 1099 . 1 1 90 90 LEU N N 15 122.5 . . 1 . . . . . . . . 5798 1 1100 . 1 1 90 90 LEU CA C 13 55.3 . . 1 . . . . . . . . 5798 1 1101 . 1 1 90 90 LEU CB C 13 42.3 . . 1 . . . . . . . . 5798 1 1102 . 1 1 90 90 LEU CG C 13 26.94 . . 1 . . . . . . . . 5798 1 1103 . 1 1 90 90 LEU CD1 C 13 24.9 . . 2 . . . . . . . . 5798 1 1104 . 1 1 90 90 LEU CD2 C 13 23.26 . . 2 . . . . . . . . 5798 1 1105 . 1 1 90 90 LEU HA H 1 4.17 . . 1 . . . . . . . . 5798 1 1106 . 1 1 90 90 LEU HB2 H 1 1.46 . . 1 . . . . . . . . 5798 1 1107 . 1 1 90 90 LEU HB3 H 1 1.46 . . 1 . . . . . . . . 5798 1 1108 . 1 1 90 90 LEU HG H 1 1.463 . . 1 . . . . . . . . 5798 1 1109 . 1 1 90 90 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 5798 1 1110 . 1 1 90 90 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 5798 1 1111 . 1 1 90 90 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 5798 1 1112 . 1 1 90 90 LEU HD21 H 1 0.80 . . 1 . . . . . . . . 5798 1 1113 . 1 1 90 90 LEU HD22 H 1 0.80 . . 1 . . . . . . . . 5798 1 1114 . 1 1 90 90 LEU HD23 H 1 0.80 . . 1 . . . . . . . . 5798 1 1115 . 1 1 91 91 GLU H H 1 8.147 . . 1 . . . . . . . . 5798 1 1116 . 1 1 91 91 GLU N N 15 120.8 . . 1 . . . . . . . . 5798 1 1117 . 1 1 91 91 GLU HA H 1 4.10 . . 1 . . . . . . . . 5798 1 1118 . 1 1 91 91 GLU HB2 H 1 1.87 . . 1 . . . . . . . . 5798 1 1119 . 1 1 91 91 GLU HB3 H 1 1.87 . . 1 . . . . . . . . 5798 1 1120 . 1 1 91 91 GLU HG2 H 1 2.156 . . 1 . . . . . . . . 5798 1 1121 . 1 1 91 91 GLU HG3 H 1 2.156 . . 1 . . . . . . . . 5798 1 1122 . 1 1 91 91 GLU CA C 13 56.7 . . 1 . . . . . . . . 5798 1 1123 . 1 1 91 91 GLU CB C 13 30.19 . . 1 . . . . . . . . 5798 1 1124 . 1 1 91 91 GLU CG C 13 36.3 . . 1 . . . . . . . . 5798 1 1125 . 1 1 92 92 HIS H H 1 8.255 . . 1 . . . . . . . . 5798 1 1126 . 1 1 92 92 HIS CA C 13 55.80 . . 1 . . . . . . . . 5798 1 1127 . 1 1 92 92 HIS CB C 13 29.76 . . 1 . . . . . . . . 5798 1 1128 . 1 1 92 92 HIS N N 15 119.11 . . 1 . . . . . . . . 5798 1 1129 . 1 1 92 92 HIS HA H 1 4.606 . . 1 . . . . . . . . 5798 1 1130 . 1 1 92 92 HIS HB2 H 1 3.148 . . 1 . . . . . . . . 5798 1 1131 . 1 1 92 92 HIS HB3 H 1 3.148 . . 1 . . . . . . . . 5798 1 1132 . 1 1 92 92 HIS HD2 H 1 6.35 . . 1 . . . . . . . . 5798 1 1133 . 1 1 93 93 HIS H H 1 8.24 . . 1 . . . . . . . . 5798 1 1134 . 1 1 93 93 HIS CA C 13 57.13 . . 1 . . . . . . . . 5798 1 1135 . 1 1 93 93 HIS CB C 13 29.91 . . 1 . . . . . . . . 5798 1 1136 . 1 1 93 93 HIS N N 15 125.3 . . 1 . . . . . . . . 5798 1 1137 . 1 1 93 93 HIS HA H 1 4.448 . . 1 . . . . . . . . 5798 1 1138 . 1 1 93 93 HIS HB2 H 1 3.10 . . 2 . . . . . . . . 5798 1 1139 . 1 1 93 93 HIS HB3 H 1 3.213 . . 2 . . . . . . . . 5798 1 stop_ save_