data_7063 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7063 _Entry.Title ; Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-10 _Entry.Accession_date 2006-04-12 _Entry.Last_release_date 2007-02-01 _Entry.Original_release_date 2007-02-01 _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 J. Aramini . M. . 7063 2 G. Swapna . V.T. . 7063 3 T. Ramelot . A. . 7063 4 C. Ho . K. . 7063 5 K. Cunningham . . . 7063 6 L.-C. Ma . . . 7063 7 K. Shetty . . . 7063 8 R. Xiao . . . 7063 9 T. Acton . B. . 7063 10 M. Kennedy . A. . 7063 11 G. Montelione . T. . 7063 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7063 coupling_constants 1 7063 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 538 7063 '15N chemical shifts' 126 7063 '1H chemical shifts' 831 7063 'coupling constants' 65 7063 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 . . 2007-02-01 2006-04-10 original author . 7063 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G7J 'BMRB Entry Tracking System' 7063 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7063 _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 NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72. ; _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 J. Aramini . M. . 7063 1 2 G. Swapna . V.T. . 7063 1 3 T. Ramelot . A. . 7063 1 4 C. Ho . K. . 7063 1 5 K. Cunningham . . . 7063 1 6 L.-C. Ma . . . 7063 1 7 K. Shetty . . . 7063 1 8 R. Xiao . . . 7063 1 9 T. Acton . B. . 7063 1 10 M. Kennedy . A. . 7063 1 11 G. Montelione . T. . 7063 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AUTOSTRUCTURE 7063 1 NESG 7063 1 'NMR structure' 7063 1 'Northeast Structural Genomics Consortium' 7063 1 'Protein Structure Initiative' 7063 1 PSI 7063 1 StR72 7063 1 'Structural Genomics' 7063 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7063 _Assembly.ID 1 _Assembly.Name 'putative cytoplasmic protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7063 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 'putative cytoplasmic protein' 1 $YGAC . . . native . . . . . 7063 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'putative cytoplasmic protein' abbreviation 7063 1 'putative cytoplasmic protein' system 7063 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YGAC _Entity.Sf_category entity _Entity.Sf_framecode YGAC _Entity.Entry_ID 7063 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'putative cytoplasmic protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYLRPDEVARVLEKAGFTVD VVTNKTYGYRRGENYVYVNR EARMGRTALIIHPRLKDRSS SLADPASDIKTCDHYQNFPL YLGGETHEHYGIPHGFSSRI ALERYLNGLFGDEKTDLEHH HHHH ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 2G7J . "Solution Nmr Structure Of The Putative Cytoplasmic Protein Ygac From Salmonella Typhimurium. Northeast Structural Genomics Targ" . . . . . 100.00 124 100.00 100.00 3.18e-85 . . . . 7063 1 2 no DBJ BAJ37798 . "hypothetical protein STMDT12_C28550 [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 3 no DBJ BAP08706 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 4 no EMBL CAD05911 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 93.55 116 99.14 100.00 9.58e-79 . . . . 7063 1 5 no EMBL CAR34225 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 6 no EMBL CAR38517 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 7 no EMBL CBG25775 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 8 no EMBL CBW18883 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 9 no GB AAL21686 . "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 10 no GB AAO70265 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 93.55 116 99.14 100.00 9.58e-79 . . . . 7063 1 11 no GB AAX66640 . "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" . . . . . 93.55 116 99.14 100.00 9.58e-79 . . . . 7063 1 12 no GB ABX68827 . "hypothetical protein SPAB_03480 [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" . . . . . 93.55 116 99.14 99.14 2.53e-78 . . . . 7063 1 13 no GB ACF63119 . "YgaC [Salmonella enterica subsp. enterica serovar Newport str. SL254]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 14 no PIR AH0840 . "conserved hypothetical protein STY2924 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 93.55 116 99.14 100.00 9.58e-79 . . . . 7063 1 15 no REF NP_457200 . "hypothetical protein STY2924 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 93.55 116 99.14 100.00 9.58e-79 . . . . 7063 1 16 no REF NP_461727 . "cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 93.55 116 100.00 100.00 3.75e-79 . . . . 7063 1 17 no REF NP_806405 . "hypothetical protein t2697 [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 93.55 116 99.14 100.00 9.58e-79 . . . . 7063 1 18 no REF WP_000281302 . "hypothetical protein [Salmonella enterica]" . . . . . 93.55 116 99.14 99.14 2.53e-78 . . . . 7063 1 19 no REF WP_000281303 . "hypothetical protein [Salmonella enterica]" . . . . . 93.55 116 99.14 99.14 2.53e-78 . . . . 7063 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'putative cytoplasmic protein' abbreviation 7063 1 'putative cytoplasmic protein' common 7063 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 . 7063 1 2 . TYR . 7063 1 3 . LEU . 7063 1 4 . ARG . 7063 1 5 . PRO . 7063 1 6 . ASP . 7063 1 7 . GLU . 7063 1 8 . VAL . 7063 1 9 . ALA . 7063 1 10 . ARG . 7063 1 11 . VAL . 7063 1 12 . LEU . 7063 1 13 . GLU . 7063 1 14 . LYS . 7063 1 15 . ALA . 7063 1 16 . GLY . 7063 1 17 . PHE . 7063 1 18 . THR . 7063 1 19 . VAL . 7063 1 20 . ASP . 7063 1 21 . VAL . 7063 1 22 . VAL . 7063 1 23 . THR . 7063 1 24 . ASN . 7063 1 25 . LYS . 7063 1 26 . THR . 7063 1 27 . TYR . 7063 1 28 . GLY . 7063 1 29 . TYR . 7063 1 30 . ARG . 7063 1 31 . ARG . 7063 1 32 . GLY . 7063 1 33 . GLU . 7063 1 34 . ASN . 7063 1 35 . TYR . 7063 1 36 . VAL . 7063 1 37 . TYR . 7063 1 38 . VAL . 7063 1 39 . ASN . 7063 1 40 . ARG . 7063 1 41 . GLU . 7063 1 42 . ALA . 7063 1 43 . ARG . 7063 1 44 . MET . 7063 1 45 . GLY . 7063 1 46 . ARG . 7063 1 47 . THR . 7063 1 48 . ALA . 7063 1 49 . LEU . 7063 1 50 . ILE . 7063 1 51 . ILE . 7063 1 52 . HIS . 7063 1 53 . PRO . 7063 1 54 . ARG . 7063 1 55 . LEU . 7063 1 56 . LYS . 7063 1 57 . ASP . 7063 1 58 . ARG . 7063 1 59 . SER . 7063 1 60 . SER . 7063 1 61 . SER . 7063 1 62 . LEU . 7063 1 63 . ALA . 7063 1 64 . ASP . 7063 1 65 . PRO . 7063 1 66 . ALA . 7063 1 67 . SER . 7063 1 68 . ASP . 7063 1 69 . ILE . 7063 1 70 . LYS . 7063 1 71 . THR . 7063 1 72 . CYS . 7063 1 73 . ASP . 7063 1 74 . HIS . 7063 1 75 . TYR . 7063 1 76 . GLN . 7063 1 77 . ASN . 7063 1 78 . PHE . 7063 1 79 . PRO . 7063 1 80 . LEU . 7063 1 81 . TYR . 7063 1 82 . LEU . 7063 1 83 . GLY . 7063 1 84 . GLY . 7063 1 85 . GLU . 7063 1 86 . THR . 7063 1 87 . HIS . 7063 1 88 . GLU . 7063 1 89 . HIS . 7063 1 90 . TYR . 7063 1 91 . GLY . 7063 1 92 . ILE . 7063 1 93 . PRO . 7063 1 94 . HIS . 7063 1 95 . GLY . 7063 1 96 . PHE . 7063 1 97 . SER . 7063 1 98 . SER . 7063 1 99 . ARG . 7063 1 100 . ILE . 7063 1 101 . ALA . 7063 1 102 . LEU . 7063 1 103 . GLU . 7063 1 104 . ARG . 7063 1 105 . TYR . 7063 1 106 . LEU . 7063 1 107 . ASN . 7063 1 108 . GLY . 7063 1 109 . LEU . 7063 1 110 . PHE . 7063 1 111 . GLY . 7063 1 112 . ASP . 7063 1 113 . GLU . 7063 1 114 . LYS . 7063 1 115 . THR . 7063 1 116 . ASP . 7063 1 117 . LEU . 7063 1 118 . GLU . 7063 1 119 . HIS . 7063 1 120 . HIS . 7063 1 121 . HIS . 7063 1 122 . HIS . 7063 1 123 . HIS . 7063 1 124 . HIS . 7063 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 7063 1 . TYR 2 2 7063 1 . LEU 3 3 7063 1 . ARG 4 4 7063 1 . PRO 5 5 7063 1 . ASP 6 6 7063 1 . GLU 7 7 7063 1 . VAL 8 8 7063 1 . ALA 9 9 7063 1 . ARG 10 10 7063 1 . VAL 11 11 7063 1 . LEU 12 12 7063 1 . GLU 13 13 7063 1 . LYS 14 14 7063 1 . ALA 15 15 7063 1 . GLY 16 16 7063 1 . PHE 17 17 7063 1 . THR 18 18 7063 1 . VAL 19 19 7063 1 . ASP 20 20 7063 1 . VAL 21 21 7063 1 . VAL 22 22 7063 1 . THR 23 23 7063 1 . ASN 24 24 7063 1 . LYS 25 25 7063 1 . THR 26 26 7063 1 . TYR 27 27 7063 1 . GLY 28 28 7063 1 . TYR 29 29 7063 1 . ARG 30 30 7063 1 . ARG 31 31 7063 1 . GLY 32 32 7063 1 . GLU 33 33 7063 1 . ASN 34 34 7063 1 . TYR 35 35 7063 1 . VAL 36 36 7063 1 . TYR 37 37 7063 1 . VAL 38 38 7063 1 . ASN 39 39 7063 1 . ARG 40 40 7063 1 . GLU 41 41 7063 1 . ALA 42 42 7063 1 . ARG 43 43 7063 1 . MET 44 44 7063 1 . GLY 45 45 7063 1 . ARG 46 46 7063 1 . THR 47 47 7063 1 . ALA 48 48 7063 1 . LEU 49 49 7063 1 . ILE 50 50 7063 1 . ILE 51 51 7063 1 . HIS 52 52 7063 1 . PRO 53 53 7063 1 . ARG 54 54 7063 1 . LEU 55 55 7063 1 . LYS 56 56 7063 1 . ASP 57 57 7063 1 . ARG 58 58 7063 1 . SER 59 59 7063 1 . SER 60 60 7063 1 . SER 61 61 7063 1 . LEU 62 62 7063 1 . ALA 63 63 7063 1 . ASP 64 64 7063 1 . PRO 65 65 7063 1 . ALA 66 66 7063 1 . SER 67 67 7063 1 . ASP 68 68 7063 1 . ILE 69 69 7063 1 . LYS 70 70 7063 1 . THR 71 71 7063 1 . CYS 72 72 7063 1 . ASP 73 73 7063 1 . HIS 74 74 7063 1 . TYR 75 75 7063 1 . GLN 76 76 7063 1 . ASN 77 77 7063 1 . PHE 78 78 7063 1 . PRO 79 79 7063 1 . LEU 80 80 7063 1 . TYR 81 81 7063 1 . LEU 82 82 7063 1 . GLY 83 83 7063 1 . GLY 84 84 7063 1 . GLU 85 85 7063 1 . THR 86 86 7063 1 . HIS 87 87 7063 1 . GLU 88 88 7063 1 . HIS 89 89 7063 1 . TYR 90 90 7063 1 . GLY 91 91 7063 1 . ILE 92 92 7063 1 . PRO 93 93 7063 1 . HIS 94 94 7063 1 . GLY 95 95 7063 1 . PHE 96 96 7063 1 . SER 97 97 7063 1 . SER 98 98 7063 1 . ARG 99 99 7063 1 . ILE 100 100 7063 1 . ALA 101 101 7063 1 . LEU 102 102 7063 1 . GLU 103 103 7063 1 . ARG 104 104 7063 1 . TYR 105 105 7063 1 . LEU 106 106 7063 1 . ASN 107 107 7063 1 . GLY 108 108 7063 1 . LEU 109 109 7063 1 . PHE 110 110 7063 1 . GLY 111 111 7063 1 . ASP 112 112 7063 1 . GLU 113 113 7063 1 . LYS 114 114 7063 1 . THR 115 115 7063 1 . ASP 116 116 7063 1 . LEU 117 117 7063 1 . GLU 118 118 7063 1 . HIS 119 119 7063 1 . HIS 120 120 7063 1 . HIS 121 121 7063 1 . HIS 122 122 7063 1 . HIS 123 123 7063 1 . HIS 124 124 7063 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 7063 _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 $YGAC . 602 . . 'Salmonella typhimurium' 'Salmonella typhimurium' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . . . . . . . . . 7063 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 7063 _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 $YGAC . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7063 _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 'putative cytoplasmic protein' '[U-13C; U-15N]' . . 1 $YGAC . . 1.12 . . mM . . . . 7063 1 2 MES . . . . . . . 20 . . mM . . . . 7063 1 3 NaCl . . . . . . . 100 . . mM . . . . 7063 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 7063 1 5 DTT . . . . . . . 10 . . mM . . . . 7063 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 7063 1 7 D2O . . . . . . . 5 . . % . . . . 7063 1 8 H2O . . . . . . . 95 . . % . . . . 7063 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7063 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'putative cytoplasmic protein' '[U-13C; U-15N]' . . 1 $YGAC . . 1.12 . . mM . . . . 7063 2 2 MES . . . . . . . 20 . . mM . . . . 7063 2 3 NaCl . . . . . . . 100 . . mM . . . . 7063 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 7063 2 5 DTT . . . . . . . 10 . . mM . . . . 7063 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 7063 2 7 D2O . . . . . . . 100 . . % . . . . 7063 2 8 H2O . . . . . . . 95 . . % . . . . 7063 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7063 _Sample.ID 3 _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 'putative cytoplasmic protein' '[U-5% 13C; U-15N]' . . 1 $YGAC . . 1.07 . . mM . . . . 7063 3 2 MES . . . . . . . 20 . . mM . . . . 7063 3 3 NaCl . . . . . . . 100 . . mM . . . . 7063 3 4 CaCl2 . . . . . . . 5 . . mM . . . . 7063 3 5 DTT . . . . . . . 10 . . mM . . . . 7063 3 6 NaN3 . . . . . . . 0.02 . . % . . . . 7063 3 7 D2O . . . . . . . 5 . . % . . . . 7063 3 8 H2O . . . . . . . 95 . . % . . . . 7063 3 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 7063 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 7063 1 pH 6.5 . pH 7063 1 pressure 1 . atm 7063 1 temperature 293 . K 7063 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7063 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5pl6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7063 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7063 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7063 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7063 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details 'Goddard & Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7063 3 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 7063 _Software.ID 4 _Software.Name AutoAssign _Software.Version 1.17.0 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7063 4 stop_ save_ save_AUTOSTRUCTURE _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE _Software.Entry_ID 7063 _Software.ID 5 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7063 5 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 7063 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.2 _Software.Details 'Clore et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7063 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7063 _Software.ID 7 _Software.Name CNS _Software.Version 1.1 _Software.Details 'Brunger et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7063 7 stop_ save_ save_PDBstat _Software.Sf_category software _Software.Sf_framecode PDBstat _Software.Entry_ID 7063 _Software.ID 8 _Software.Name PDBStat _Software.Version 4.01 _Software.Details 'Tejero & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7063 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 7063 _Software.ID 9 _Software.Name PSVS _Software.Version 1.2 _Software.Details 'Bhattacharya & Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7063 9 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 7063 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7063 _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 . 750 . . . 7063 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 7063 _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 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 3 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 5 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 6 'backbone TR expts' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 7 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 8 '3D TOCSYs' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 1 9 'aromatic expts' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7063 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 7063 _NMR_spec_expt.ID 1 _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_ 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 7063 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '4D 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'backbone TR expts' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D TOCSYs' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 7063 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'aromatic expts' _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 7063 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7063 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 7063 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7063 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 7063 _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 '3D 15N-separated NOESY' . . . 7063 1 2 '3D 13C-separated NOESY' . . . 7063 1 3 '4D 13C-separated NOESY' . . . 7063 1 4 HNHA . . . 7063 1 5 'high resolution CH-HSQC (stereospecific assignment of Val/Leu methyls)' . . . 7063 1 6 'backbone TR expts' . . . 7063 1 7 '3D HCCH-COSY' . . . 7063 1 8 '3D TOCSYs' . . . 7063 1 9 'aromatic expts' . . . 7063 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.89 0.015 . 1 . . . . . . . . 7063 1 2 . 1 1 1 1 MET CB C 13 33.18 0.015 . 1 . . . . . . . . 7063 1 3 . 1 1 1 1 MET CG C 13 30.90 0.015 . 1 . . . . . . . . 7063 1 4 . 1 1 1 1 MET CE C 13 16.83 0.015 . 1 . . . . . . . . 7063 1 5 . 1 1 1 1 MET HE1 H 1 2.095 0.02 . 1 . . . . . . . . 7063 1 6 . 1 1 1 1 MET HE2 H 1 2.095 0.02 . 1 . . . . . . . . 7063 1 7 . 1 1 1 1 MET HE3 H 1 2.095 0.02 . 1 . . . . . . . . 7063 1 8 . 1 1 1 1 MET HA H 1 3.973 0.02 . 1 . . . . . . . . 7063 1 9 . 1 1 1 1 MET HB2 H 1 2.122 0.02 . 1 . . . . . . . . 7063 1 10 . 1 1 1 1 MET HB3 H 1 2.122 0.02 . 1 . . . . . . . . 7063 1 11 . 1 1 1 1 MET HG2 H 1 2.564 0.02 . 1 . . . . . . . . 7063 1 12 . 1 1 1 1 MET HG3 H 1 2.564 0.02 . 1 . . . . . . . . 7063 1 13 . 1 1 1 1 MET C C 13 172.33 0.015 . 1 . . . . . . . . 7063 1 14 . 1 1 2 2 TYR H H 1 8.364 0.02 . 1 . . . . . . . . 7063 1 15 . 1 1 2 2 TYR HA H 1 4.764 0.02 . 1 . . . . . . . . 7063 1 16 . 1 1 2 2 TYR HB2 H 1 3.174 0.02 . 2 . . . . . . . . 7063 1 17 . 1 1 2 2 TYR HB3 H 1 3.017 0.02 . 2 . . . . . . . . 7063 1 18 . 1 1 2 2 TYR C C 13 176.47 0.015 . 1 . . . . . . . . 7063 1 19 . 1 1 2 2 TYR CA C 13 57.46 0.015 . 1 . . . . . . . . 7063 1 20 . 1 1 2 2 TYR CB C 13 39.20 0.015 . 1 . . . . . . . . 7063 1 21 . 1 1 2 2 TYR N N 15 120.54 0.015 . 1 . . . . . . . . 7063 1 22 . 1 1 2 2 TYR CD1 C 13 132.6 0.015 . 1 . . . . . . . . 7063 1 23 . 1 1 2 2 TYR CD2 C 13 132.6 0.015 . 1 . . . . . . . . 7063 1 24 . 1 1 2 2 TYR CE1 C 13 118.0 0.015 . 1 . . . . . . . . 7063 1 25 . 1 1 2 2 TYR CE2 C 13 118.0 0.015 . 1 . . . . . . . . 7063 1 26 . 1 1 2 2 TYR HD1 H 1 6.89 0.02 . 1 . . . . . . . . 7063 1 27 . 1 1 2 2 TYR HD2 H 1 6.89 0.02 . 1 . . . . . . . . 7063 1 28 . 1 1 2 2 TYR HE1 H 1 6.66 0.02 . 1 . . . . . . . . 7063 1 29 . 1 1 2 2 TYR HE2 H 1 6.66 0.02 . 1 . . . . . . . . 7063 1 30 . 1 1 3 3 LEU H H 1 8.715 0.02 . 1 . . . . . . . . 7063 1 31 . 1 1 3 3 LEU HA H 1 4.265 0.02 . 1 . . . . . . . . 7063 1 32 . 1 1 3 3 LEU HB2 H 1 1.535 0.02 . 2 . . . . . . . . 7063 1 33 . 1 1 3 3 LEU HB3 H 1 1.365 0.02 . 2 . . . . . . . . 7063 1 34 . 1 1 3 3 LEU HG H 1 1.601 0.02 . 1 . . . . . . . . 7063 1 35 . 1 1 3 3 LEU HD11 H 1 0.638 0.02 . 1 . . . . . . . . 7063 1 36 . 1 1 3 3 LEU HD12 H 1 0.638 0.02 . 1 . . . . . . . . 7063 1 37 . 1 1 3 3 LEU HD13 H 1 0.638 0.02 . 1 . . . . . . . . 7063 1 38 . 1 1 3 3 LEU HD21 H 1 0.690 0.02 . 1 . . . . . . . . 7063 1 39 . 1 1 3 3 LEU HD22 H 1 0.690 0.02 . 1 . . . . . . . . 7063 1 40 . 1 1 3 3 LEU HD23 H 1 0.690 0.02 . 1 . . . . . . . . 7063 1 41 . 1 1 3 3 LEU C C 13 176.99 0.015 . 1 . . . . . . . . 7063 1 42 . 1 1 3 3 LEU CA C 13 55.09 0.015 . 1 . . . . . . . . 7063 1 43 . 1 1 3 3 LEU CB C 13 43.42 0.015 . 1 . . . . . . . . 7063 1 44 . 1 1 3 3 LEU CG C 13 27.48 0.015 . 1 . . . . . . . . 7063 1 45 . 1 1 3 3 LEU CD1 C 13 26.00 0.015 . 1 . . . . . . . . 7063 1 46 . 1 1 3 3 LEU CD2 C 13 23.18 0.015 . 1 . . . . . . . . 7063 1 47 . 1 1 3 3 LEU N N 15 120.51 0.015 . 1 . . . . . . . . 7063 1 48 . 1 1 4 4 ARG H H 1 9.225 0.02 . 1 . . . . . . . . 7063 1 49 . 1 1 4 4 ARG C C 13 176.05 0.015 . 1 . . . . . . . . 7063 1 50 . 1 1 4 4 ARG CA C 13 55.28 0.015 . 1 . . . . . . . . 7063 1 51 . 1 1 4 4 ARG CB C 13 28.75 0.015 . 1 . . . . . . . . 7063 1 52 . 1 1 4 4 ARG CD C 13 43.08 0.015 . 1 . . . . . . . . 7063 1 53 . 1 1 4 4 ARG HA H 1 4.161 0.02 . 1 . . . . . . . . 7063 1 54 . 1 1 4 4 ARG HB2 H 1 2.226 0.02 . 2 . . . . . . . . 7063 1 55 . 1 1 4 4 ARG HB3 H 1 1.755 0.02 . 2 . . . . . . . . 7063 1 56 . 1 1 4 4 ARG HD2 H 1 3.314 0.02 . 1 . . . . . . . . 7063 1 57 . 1 1 4 4 ARG HD3 H 1 3.314 0.02 . 1 . . . . . . . . 7063 1 58 . 1 1 4 4 ARG HG2 H 1 1.85 0.02 . 2 . . . . . . . . 7063 1 59 . 1 1 4 4 ARG HG3 H 1 1.93 0.02 . 2 . . . . . . . . 7063 1 60 . 1 1 4 4 ARG N N 15 122.16 0.015 . 1 . . . . . . . . 7063 1 61 . 1 1 5 5 PRO HA H 1 3.915 0.02 . 1 . . . . . . . . 7063 1 62 . 1 1 5 5 PRO HB2 H 1 2.083 0.02 . 1 . . . . . . . . 7063 1 63 . 1 1 5 5 PRO HB3 H 1 2.083 0.02 . 1 . . . . . . . . 7063 1 64 . 1 1 5 5 PRO HD2 H 1 3.882 0.02 . 2 . . . . . . . . 7063 1 65 . 1 1 5 5 PRO HD3 H 1 3.799 0.02 . 2 . . . . . . . . 7063 1 66 . 1 1 5 5 PRO C C 13 177.37 0.015 . 1 . . . . . . . . 7063 1 67 . 1 1 5 5 PRO CA C 13 67.75 0.015 . 1 . . . . . . . . 7063 1 68 . 1 1 5 5 PRO CB C 13 32.27 0.015 . 1 . . . . . . . . 7063 1 69 . 1 1 5 5 PRO CG C 13 29.71 0.015 . 1 . . . . . . . . 7063 1 70 . 1 1 5 5 PRO CD C 13 50.35 0.015 . 1 . . . . . . . . 7063 1 71 . 1 1 6 6 ASP H H 1 8.995 0.02 . 1 . . . . . . . . 7063 1 72 . 1 1 6 6 ASP HA H 1 4.576 0.02 . 1 . . . . . . . . 7063 1 73 . 1 1 6 6 ASP HB2 H 1 2.715 0.02 . 2 . . . . . . . . 7063 1 74 . 1 1 6 6 ASP HB3 H 1 2.585 0.02 . 2 . . . . . . . . 7063 1 75 . 1 1 6 6 ASP C C 13 178.36 0.015 . 1 . . . . . . . . 7063 1 76 . 1 1 6 6 ASP CA C 13 57.94 0.015 . 1 . . . . . . . . 7063 1 77 . 1 1 6 6 ASP CB C 13 39.87 0.015 . 1 . . . . . . . . 7063 1 78 . 1 1 6 6 ASP N N 15 114.77 0.015 . 1 . . . . . . . . 7063 1 79 . 1 1 7 7 GLU H H 1 7.332 0.02 . 1 . . . . . . . . 7063 1 80 . 1 1 7 7 GLU HA H 1 4.040 0.02 . 1 . . . . . . . . 7063 1 81 . 1 1 7 7 GLU HB2 H 1 2.486 0.02 . 2 . . . . . . . . 7063 1 82 . 1 1 7 7 GLU HB3 H 1 1.912 0.02 . 2 . . . . . . . . 7063 1 83 . 1 1 7 7 GLU HG2 H 1 2.315 0.02 . 2 . . . . . . . . 7063 1 84 . 1 1 7 7 GLU HG3 H 1 2.176 0.02 . 2 . . . . . . . . 7063 1 85 . 1 1 7 7 GLU C C 13 179.49 0.015 . 1 . . . . . . . . 7063 1 86 . 1 1 7 7 GLU CA C 13 58.99 0.015 . 1 . . . . . . . . 7063 1 87 . 1 1 7 7 GLU CB C 13 30.28 0.015 . 1 . . . . . . . . 7063 1 88 . 1 1 7 7 GLU CG C 13 37.61 0.015 . 1 . . . . . . . . 7063 1 89 . 1 1 7 7 GLU N N 15 119.00 0.015 . 1 . . . . . . . . 7063 1 90 . 1 1 8 8 VAL H H 1 8.038 0.02 . 1 . . . . . . . . 7063 1 91 . 1 1 8 8 VAL HA H 1 3.153 0.02 . 1 . . . . . . . . 7063 1 92 . 1 1 8 8 VAL HB H 1 2.340 0.02 . 1 . . . . . . . . 7063 1 93 . 1 1 8 8 VAL HG21 H 1 0.928 0.02 . 1 . . . . . . . . 7063 1 94 . 1 1 8 8 VAL HG22 H 1 0.928 0.02 . 1 . . . . . . . . 7063 1 95 . 1 1 8 8 VAL HG23 H 1 0.928 0.02 . 1 . . . . . . . . 7063 1 96 . 1 1 8 8 VAL HG11 H 1 0.739 0.02 . 1 . . . . . . . . 7063 1 97 . 1 1 8 8 VAL HG12 H 1 0.739 0.02 . 1 . . . . . . . . 7063 1 98 . 1 1 8 8 VAL HG13 H 1 0.739 0.02 . 1 . . . . . . . . 7063 1 99 . 1 1 8 8 VAL C C 13 177.50 0.015 . 1 . . . . . . . . 7063 1 100 . 1 1 8 8 VAL CA C 13 66.55 0.015 . 1 . . . . . . . . 7063 1 101 . 1 1 8 8 VAL CB C 13 31.21 0.015 . 1 . . . . . . . . 7063 1 102 . 1 1 8 8 VAL CG2 C 13 23.75 0.015 . 1 . . . . . . . . 7063 1 103 . 1 1 8 8 VAL CG1 C 13 21.94 0.015 . 1 . . . . . . . . 7063 1 104 . 1 1 8 8 VAL N N 15 120.16 0.015 . 1 . . . . . . . . 7063 1 105 . 1 1 9 9 ALA H H 1 8.165 0.02 . 1 . . . . . . . . 7063 1 106 . 1 1 9 9 ALA HA H 1 3.342 0.02 . 1 . . . . . . . . 7063 1 107 . 1 1 9 9 ALA HB1 H 1 1.492 0.02 . 1 . . . . . . . . 7063 1 108 . 1 1 9 9 ALA HB2 H 1 1.492 0.02 . 1 . . . . . . . . 7063 1 109 . 1 1 9 9 ALA HB3 H 1 1.492 0.02 . 1 . . . . . . . . 7063 1 110 . 1 1 9 9 ALA C C 13 178.10 0.015 . 1 . . . . . . . . 7063 1 111 . 1 1 9 9 ALA CA C 13 55.57 0.015 . 1 . . . . . . . . 7063 1 112 . 1 1 9 9 ALA CB C 13 17.47 0.015 . 1 . . . . . . . . 7063 1 113 . 1 1 9 9 ALA N N 15 120.92 0.015 . 1 . . . . . . . . 7063 1 114 . 1 1 10 10 ARG H H 1 7.240 0.02 . 1 . . . . . . . . 7063 1 115 . 1 1 10 10 ARG HA H 1 3.917 0.02 . 1 . . . . . . . . 7063 1 116 . 1 1 10 10 ARG HB2 H 1 1.991 0.02 . 2 . . . . . . . . 7063 1 117 . 1 1 10 10 ARG HB3 H 1 1.850 0.02 . 2 . . . . . . . . 7063 1 118 . 1 1 10 10 ARG HG2 H 1 1.988 0.02 . 2 . . . . . . . . 7063 1 119 . 1 1 10 10 ARG HG3 H 1 1.714 0.02 . 2 . . . . . . . . 7063 1 120 . 1 1 10 10 ARG HD2 H 1 3.274 0.02 . 2 . . . . . . . . 7063 1 121 . 1 1 10 10 ARG HD3 H 1 3.155 0.02 . 2 . . . . . . . . 7063 1 122 . 1 1 10 10 ARG C C 13 180.13 0.015 . 1 . . . . . . . . 7063 1 123 . 1 1 10 10 ARG CA C 13 58.81 0.015 . 1 . . . . . . . . 7063 1 124 . 1 1 10 10 ARG CB C 13 31.09 0.015 . 1 . . . . . . . . 7063 1 125 . 1 1 10 10 ARG CG C 13 26.57 0.015 . 1 . . . . . . . . 7063 1 126 . 1 1 10 10 ARG CD C 13 43.24 0.015 . 1 . . . . . . . . 7063 1 127 . 1 1 10 10 ARG N N 15 114.34 0.015 . 1 . . . . . . . . 7063 1 128 . 1 1 11 11 VAL H H 1 7.516 0.02 . 1 . . . . . . . . 7063 1 129 . 1 1 11 11 VAL HA H 1 3.459 0.02 . 1 . . . . . . . . 7063 1 130 . 1 1 11 11 VAL HB H 1 2.000 0.02 . 1 . . . . . . . . 7063 1 131 . 1 1 11 11 VAL HG21 H 1 0.954 0.02 . 1 . . . . . . . . 7063 1 132 . 1 1 11 11 VAL HG22 H 1 0.954 0.02 . 1 . . . . . . . . 7063 1 133 . 1 1 11 11 VAL HG23 H 1 0.954 0.02 . 1 . . . . . . . . 7063 1 134 . 1 1 11 11 VAL HG11 H 1 0.743 0.02 . 1 . . . . . . . . 7063 1 135 . 1 1 11 11 VAL HG12 H 1 0.743 0.02 . 1 . . . . . . . . 7063 1 136 . 1 1 11 11 VAL HG13 H 1 0.743 0.02 . 1 . . . . . . . . 7063 1 137 . 1 1 11 11 VAL C C 13 178.56 0.015 . 1 . . . . . . . . 7063 1 138 . 1 1 11 11 VAL CA C 13 66.43 0.015 . 1 . . . . . . . . 7063 1 139 . 1 1 11 11 VAL CB C 13 31.11 0.015 . 1 . . . . . . . . 7063 1 140 . 1 1 11 11 VAL CG2 C 13 23.08 0.015 . 1 . . . . . . . . 7063 1 141 . 1 1 11 11 VAL CG1 C 13 22.47 0.015 . 1 . . . . . . . . 7063 1 142 . 1 1 11 11 VAL N N 15 120.91 0.015 . 1 . . . . . . . . 7063 1 143 . 1 1 12 12 LEU H H 1 7.988 0.02 . 1 . . . . . . . . 7063 1 144 . 1 1 12 12 LEU HA H 1 3.420 0.02 . 1 . . . . . . . . 7063 1 145 . 1 1 12 12 LEU HB2 H 1 1.166 0.02 . 2 . . . . . . . . 7063 1 146 . 1 1 12 12 LEU HB3 H 1 0.057 0.02 . 2 . . . . . . . . 7063 1 147 . 1 1 12 12 LEU HG H 1 1.134 0.02 . 1 . . . . . . . . 7063 1 148 . 1 1 12 12 LEU HD11 H 1 -0.184 0.02 . 1 . . . . . . . . 7063 1 149 . 1 1 12 12 LEU HD12 H 1 -0.184 0.02 . 1 . . . . . . . . 7063 1 150 . 1 1 12 12 LEU HD13 H 1 -0.184 0.02 . 1 . . . . . . . . 7063 1 151 . 1 1 12 12 LEU HD21 H 1 -0.292 0.02 . 1 . . . . . . . . 7063 1 152 . 1 1 12 12 LEU HD22 H 1 -0.292 0.02 . 1 . . . . . . . . 7063 1 153 . 1 1 12 12 LEU HD23 H 1 -0.292 0.02 . 1 . . . . . . . . 7063 1 154 . 1 1 12 12 LEU C C 13 179.51 0.015 . 1 . . . . . . . . 7063 1 155 . 1 1 12 12 LEU CA C 13 57.87 0.015 . 1 . . . . . . . . 7063 1 156 . 1 1 12 12 LEU CB C 13 39.76 0.015 . 1 . . . . . . . . 7063 1 157 . 1 1 12 12 LEU CG C 13 25.86 0.015 . 1 . . . . . . . . 7063 1 158 . 1 1 12 12 LEU CD1 C 13 26.90 0.015 . 1 . . . . . . . . 7063 1 159 . 1 1 12 12 LEU CD2 C 13 22.98 0.015 . 1 . . . . . . . . 7063 1 160 . 1 1 12 12 LEU N N 15 120.22 0.015 . 1 . . . . . . . . 7063 1 161 . 1 1 13 13 GLU H H 1 7.790 0.02 . 1 . . . . . . . . 7063 1 162 . 1 1 13 13 GLU HA H 1 4.550 0.02 . 1 . . . . . . . . 7063 1 163 . 1 1 13 13 GLU HB2 H 1 2.135 0.02 . 2 . . . . . . . . 7063 1 164 . 1 1 13 13 GLU HB3 H 1 2.019 0.02 . 2 . . . . . . . . 7063 1 165 . 1 1 13 13 GLU HG2 H 1 2.572 0.02 . 2 . . . . . . . . 7063 1 166 . 1 1 13 13 GLU HG3 H 1 2.515 0.02 . 2 . . . . . . . . 7063 1 167 . 1 1 13 13 GLU C C 13 181.76 0.015 . 1 . . . . . . . . 7063 1 168 . 1 1 13 13 GLU CA C 13 58.30 0.015 . 1 . . . . . . . . 7063 1 169 . 1 1 13 13 GLU CB C 13 28.71 0.015 . 1 . . . . . . . . 7063 1 170 . 1 1 13 13 GLU CG C 13 37.78 0.015 . 1 . . . . . . . . 7063 1 171 . 1 1 13 13 GLU N N 15 119.26 0.015 . 1 . . . . . . . . 7063 1 172 . 1 1 14 14 LYS H H 1 7.815 0.02 . 1 . . . . . . . . 7063 1 173 . 1 1 14 14 LYS HA H 1 4.078 0.02 . 1 . . . . . . . . 7063 1 174 . 1 1 14 14 LYS HB2 H 1 2.031 0.02 . 2 . . . . . . . . 7063 1 175 . 1 1 14 14 LYS HB3 H 1 1.906 0.02 . 2 . . . . . . . . 7063 1 176 . 1 1 14 14 LYS HG2 H 1 1.480 0.02 . 1 . . . . . . . . 7063 1 177 . 1 1 14 14 LYS HG3 H 1 1.480 0.02 . 1 . . . . . . . . 7063 1 178 . 1 1 14 14 LYS HD2 H 1 1.652 0.02 . 2 . . . . . . . . 7063 1 179 . 1 1 14 14 LYS HD3 H 1 1.616 0.02 . 2 . . . . . . . . 7063 1 180 . 1 1 14 14 LYS HE2 H 1 2.960 0.02 . 2 . . . . . . . . 7063 1 181 . 1 1 14 14 LYS HE3 H 1 2.908 0.02 . 2 . . . . . . . . 7063 1 182 . 1 1 14 14 LYS C C 13 177.62 0.015 . 1 . . . . . . . . 7063 1 183 . 1 1 14 14 LYS CA C 13 58.71 0.015 . 1 . . . . . . . . 7063 1 184 . 1 1 14 14 LYS CB C 13 31.82 0.015 . 1 . . . . . . . . 7063 1 185 . 1 1 14 14 LYS CG C 13 24.96 0.015 . 1 . . . . . . . . 7063 1 186 . 1 1 14 14 LYS CD C 13 29.00 0.015 . 1 . . . . . . . . 7063 1 187 . 1 1 14 14 LYS CE C 13 41.97 0.015 . 1 . . . . . . . . 7063 1 188 . 1 1 14 14 LYS N N 15 123.43 0.015 . 1 . . . . . . . . 7063 1 189 . 1 1 15 15 ALA H H 1 7.709 0.02 . 1 . . . . . . . . 7063 1 190 . 1 1 15 15 ALA HA H 1 4.445 0.02 . 1 . . . . . . . . 7063 1 191 . 1 1 15 15 ALA HB1 H 1 1.561 0.02 . 1 . . . . . . . . 7063 1 192 . 1 1 15 15 ALA HB2 H 1 1.561 0.02 . 1 . . . . . . . . 7063 1 193 . 1 1 15 15 ALA HB3 H 1 1.561 0.02 . 1 . . . . . . . . 7063 1 194 . 1 1 15 15 ALA C C 13 176.85 0.015 . 1 . . . . . . . . 7063 1 195 . 1 1 15 15 ALA CA C 13 51.93 0.015 . 1 . . . . . . . . 7063 1 196 . 1 1 15 15 ALA CB C 13 18.22 0.015 . 1 . . . . . . . . 7063 1 197 . 1 1 15 15 ALA N N 15 120.22 0.015 . 1 . . . . . . . . 7063 1 198 . 1 1 16 16 GLY H H 1 7.792 0.02 . 1 . . . . . . . . 7063 1 199 . 1 1 16 16 GLY HA2 H 1 4.193 0.02 . 2 . . . . . . . . 7063 1 200 . 1 1 16 16 GLY HA3 H 1 3.648 0.02 . 2 . . . . . . . . 7063 1 201 . 1 1 16 16 GLY C C 13 175.25 0.015 . 1 . . . . . . . . 7063 1 202 . 1 1 16 16 GLY CA C 13 45.24 0.015 . 1 . . . . . . . . 7063 1 203 . 1 1 16 16 GLY N N 15 105.89 0.015 . 1 . . . . . . . . 7063 1 204 . 1 1 17 17 PHE H H 1 8.349 0.02 . 1 . . . . . . . . 7063 1 205 . 1 1 17 17 PHE HA H 1 4.566 0.02 . 1 . . . . . . . . 7063 1 206 . 1 1 17 17 PHE HB2 H 1 2.648 0.02 . 2 . . . . . . . . 7063 1 207 . 1 1 17 17 PHE HB3 H 1 2.584 0.02 . 2 . . . . . . . . 7063 1 208 . 1 1 17 17 PHE C C 13 175.94 0.015 . 1 . . . . . . . . 7063 1 209 . 1 1 17 17 PHE CA C 13 57.11 0.015 . 1 . . . . . . . . 7063 1 210 . 1 1 17 17 PHE CB C 13 40.13 0.015 . 1 . . . . . . . . 7063 1 211 . 1 1 17 17 PHE N N 15 119.57 0.015 . 1 . . . . . . . . 7063 1 212 . 1 1 17 17 PHE CD1 C 13 132.7 0.015 . 1 . . . . . . . . 7063 1 213 . 1 1 17 17 PHE CD2 C 13 132.7 0.015 . 1 . . . . . . . . 7063 1 214 . 1 1 17 17 PHE CE1 C 13 130.5 0.015 . 1 . . . . . . . . 7063 1 215 . 1 1 17 17 PHE CE2 C 13 130.5 0.015 . 1 . . . . . . . . 7063 1 216 . 1 1 17 17 PHE HD1 H 1 6.84 0.02 . 1 . . . . . . . . 7063 1 217 . 1 1 17 17 PHE HD2 H 1 6.84 0.02 . 1 . . . . . . . . 7063 1 218 . 1 1 17 17 PHE HE1 H 1 6.56 0.02 . 1 . . . . . . . . 7063 1 219 . 1 1 17 17 PHE HE2 H 1 6.56 0.02 . 1 . . . . . . . . 7063 1 220 . 1 1 17 17 PHE CZ C 13 129.6 0.015 . 1 . . . . . . . . 7063 1 221 . 1 1 17 17 PHE HZ H 1 6.11 0.02 . 1 . . . . . . . . 7063 1 222 . 1 1 18 18 THR H H 1 9.264 0.02 . 1 . . . . . . . . 7063 1 223 . 1 1 18 18 THR HA H 1 4.788 0.02 . 1 . . . . . . . . 7063 1 224 . 1 1 18 18 THR HB H 1 4.001 0.02 . 1 . . . . . . . . 7063 1 225 . 1 1 18 18 THR HG21 H 1 1.181 0.02 . 1 . . . . . . . . 7063 1 226 . 1 1 18 18 THR HG22 H 1 1.181 0.02 . 1 . . . . . . . . 7063 1 227 . 1 1 18 18 THR HG23 H 1 1.181 0.02 . 1 . . . . . . . . 7063 1 228 . 1 1 18 18 THR C C 13 174.28 0.015 . 1 . . . . . . . . 7063 1 229 . 1 1 18 18 THR CA C 13 59.98 0.015 . 1 . . . . . . . . 7063 1 230 . 1 1 18 18 THR CB C 13 71.25 0.015 . 1 . . . . . . . . 7063 1 231 . 1 1 18 18 THR CG2 C 13 21.53 0.015 . 1 . . . . . . . . 7063 1 232 . 1 1 18 18 THR N N 15 114.50 0.015 . 1 . . . . . . . . 7063 1 233 . 1 1 19 19 VAL H H 1 8.759 0.02 . 1 . . . . . . . . 7063 1 234 . 1 1 19 19 VAL HA H 1 3.020 0.02 . 1 . . . . . . . . 7063 1 235 . 1 1 19 19 VAL HB H 1 1.503 0.02 . 1 . . . . . . . . 7063 1 236 . 1 1 19 19 VAL HG11 H 1 0.658 0.02 . 1 . . . . . . . . 7063 1 237 . 1 1 19 19 VAL HG12 H 1 0.658 0.02 . 1 . . . . . . . . 7063 1 238 . 1 1 19 19 VAL HG13 H 1 0.658 0.02 . 1 . . . . . . . . 7063 1 239 . 1 1 19 19 VAL HG21 H 1 0.456 0.02 . 1 . . . . . . . . 7063 1 240 . 1 1 19 19 VAL HG22 H 1 0.456 0.02 . 1 . . . . . . . . 7063 1 241 . 1 1 19 19 VAL HG23 H 1 0.456 0.02 . 1 . . . . . . . . 7063 1 242 . 1 1 19 19 VAL C C 13 174.29 0.015 . 1 . . . . . . . . 7063 1 243 . 1 1 19 19 VAL CA C 13 62.92 0.015 . 1 . . . . . . . . 7063 1 244 . 1 1 19 19 VAL CB C 13 31.66 0.015 . 1 . . . . . . . . 7063 1 245 . 1 1 19 19 VAL CG1 C 13 19.81 0.015 . 1 . . . . . . . . 7063 1 246 . 1 1 19 19 VAL CG2 C 13 22.72 0.015 . 1 . . . . . . . . 7063 1 247 . 1 1 19 19 VAL N N 15 127.66 0.015 . 1 . . . . . . . . 7063 1 248 . 1 1 20 20 ASP H H 1 9.048 0.02 . 1 . . . . . . . . 7063 1 249 . 1 1 20 20 ASP HA H 1 4.793 0.02 . 1 . . . . . . . . 7063 1 250 . 1 1 20 20 ASP HB2 H 1 2.382 0.02 . 1 . . . . . . . . 7063 1 251 . 1 1 20 20 ASP HB3 H 1 2.382 0.02 . 1 . . . . . . . . 7063 1 252 . 1 1 20 20 ASP C C 13 174.63 0.015 . 1 . . . . . . . . 7063 1 253 . 1 1 20 20 ASP CA C 13 54.38 0.015 . 1 . . . . . . . . 7063 1 254 . 1 1 20 20 ASP CB C 13 44.09 0.015 . 1 . . . . . . . . 7063 1 255 . 1 1 20 20 ASP N N 15 128.51 0.015 . 1 . . . . . . . . 7063 1 256 . 1 1 21 21 VAL H H 1 7.313 0.02 . 1 . . . . . . . . 7063 1 257 . 1 1 21 21 VAL HA H 1 4.398 0.02 . 1 . . . . . . . . 7063 1 258 . 1 1 21 21 VAL HB H 1 2.003 0.02 . 1 . . . . . . . . 7063 1 259 . 1 1 21 21 VAL HG21 H 1 1.018 0.02 . 1 . . . . . . . . 7063 1 260 . 1 1 21 21 VAL HG22 H 1 1.018 0.02 . 1 . . . . . . . . 7063 1 261 . 1 1 21 21 VAL HG23 H 1 1.018 0.02 . 1 . . . . . . . . 7063 1 262 . 1 1 21 21 VAL HG11 H 1 1.014 0.02 . 1 . . . . . . . . 7063 1 263 . 1 1 21 21 VAL HG12 H 1 1.014 0.02 . 1 . . . . . . . . 7063 1 264 . 1 1 21 21 VAL HG13 H 1 1.014 0.02 . 1 . . . . . . . . 7063 1 265 . 1 1 21 21 VAL C C 13 173.47 0.015 . 1 . . . . . . . . 7063 1 266 . 1 1 21 21 VAL CA C 13 61.14 0.015 . 1 . . . . . . . . 7063 1 267 . 1 1 21 21 VAL CB C 13 35.48 0.015 . 1 . . . . . . . . 7063 1 268 . 1 1 21 21 VAL CG2 C 13 21.12 0.015 . 1 . . . . . . . . 7063 1 269 . 1 1 21 21 VAL CG1 C 13 20.38 0.015 . 1 . . . . . . . . 7063 1 270 . 1 1 21 21 VAL N N 15 115.89 0.015 . 1 . . . . . . . . 7063 1 271 . 1 1 22 22 VAL H H 1 8.492 0.02 . 1 . . . . . . . . 7063 1 272 . 1 1 22 22 VAL HA H 1 4.799 0.02 . 1 . . . . . . . . 7063 1 273 . 1 1 22 22 VAL HB H 1 2.009 0.02 . 1 . . . . . . . . 7063 1 274 . 1 1 22 22 VAL HG11 H 1 1.020 0.02 . 1 . . . . . . . . 7063 1 275 . 1 1 22 22 VAL HG12 H 1 1.020 0.02 . 1 . . . . . . . . 7063 1 276 . 1 1 22 22 VAL HG13 H 1 1.020 0.02 . 1 . . . . . . . . 7063 1 277 . 1 1 22 22 VAL HG21 H 1 1.020 0.02 . 1 . . . . . . . . 7063 1 278 . 1 1 22 22 VAL HG22 H 1 1.020 0.02 . 1 . . . . . . . . 7063 1 279 . 1 1 22 22 VAL HG23 H 1 1.020 0.02 . 1 . . . . . . . . 7063 1 280 . 1 1 22 22 VAL CG1 C 13 21.12 0.015 . 1 . . . . . . . . 7063 1 281 . 1 1 22 22 VAL CG2 C 13 21.12 0.015 . 1 . . . . . . . . 7063 1 282 . 1 1 22 22 VAL C C 13 175.51 0.015 . 1 . . . . . . . . 7063 1 283 . 1 1 22 22 VAL CA C 13 62.36 0.015 . 1 . . . . . . . . 7063 1 284 . 1 1 22 22 VAL CB C 13 34.48 0.015 . 1 . . . . . . . . 7063 1 285 . 1 1 22 22 VAL N N 15 125.86 0.015 . 1 . . . . . . . . 7063 1 286 . 1 1 23 23 THR H H 1 9.411 0.02 . 1 . . . . . . . . 7063 1 287 . 1 1 23 23 THR HA H 1 4.946 0.02 . 1 . . . . . . . . 7063 1 288 . 1 1 23 23 THR HB H 1 4.640 0.02 . 1 . . . . . . . . 7063 1 289 . 1 1 23 23 THR HG21 H 1 0.930 0.02 . 1 . . . . . . . . 7063 1 290 . 1 1 23 23 THR HG22 H 1 0.930 0.02 . 1 . . . . . . . . 7063 1 291 . 1 1 23 23 THR HG23 H 1 0.930 0.02 . 1 . . . . . . . . 7063 1 292 . 1 1 23 23 THR C C 13 174.38 0.015 . 1 . . . . . . . . 7063 1 293 . 1 1 23 23 THR CA C 13 58.46 0.015 . 1 . . . . . . . . 7063 1 294 . 1 1 23 23 THR CB C 13 72.30 0.015 . 1 . . . . . . . . 7063 1 295 . 1 1 23 23 THR CG2 C 13 21.03 0.015 . 1 . . . . . . . . 7063 1 296 . 1 1 23 23 THR N N 15 119.75 0.015 . 1 . . . . . . . . 7063 1 297 . 1 1 24 24 ASN H H 1 9.067 0.02 . 1 . . . . . . . . 7063 1 298 . 1 1 24 24 ASN HA H 1 4.261 0.02 . 1 . . . . . . . . 7063 1 299 . 1 1 24 24 ASN HB2 H 1 2.796 0.02 . 1 . . . . . . . . 7063 1 300 . 1 1 24 24 ASN HB3 H 1 2.796 0.02 . 1 . . . . . . . . 7063 1 301 . 1 1 24 24 ASN HD21 H 1 7.608 0.02 . 1 . . . . . . . . 7063 1 302 . 1 1 24 24 ASN HD22 H 1 6.880 0.02 . 1 . . . . . . . . 7063 1 303 . 1 1 24 24 ASN C C 13 176.12 0.015 . 1 . . . . . . . . 7063 1 304 . 1 1 24 24 ASN CA C 13 55.96 0.015 . 1 . . . . . . . . 7063 1 305 . 1 1 24 24 ASN CB C 13 37.04 0.015 . 1 . . . . . . . . 7063 1 306 . 1 1 24 24 ASN N N 15 115.63 0.015 . 1 . . . . . . . . 7063 1 307 . 1 1 24 24 ASN ND2 N 15 113.24 0.015 . 1 . . . . . . . . 7063 1 308 . 1 1 25 25 LYS H H 1 8.136 0.02 . 1 . . . . . . . . 7063 1 309 . 1 1 25 25 LYS HA H 1 4.227 0.02 . 1 . . . . . . . . 7063 1 310 . 1 1 25 25 LYS HB2 H 1 1.575 0.02 . 2 . . . . . . . . 7063 1 311 . 1 1 25 25 LYS HB3 H 1 1.367 0.02 . 2 . . . . . . . . 7063 1 312 . 1 1 25 25 LYS HD2 H 1 1.145 0.02 . 2 . . . . . . . . 7063 1 313 . 1 1 25 25 LYS HD3 H 1 0.446 0.02 . 2 . . . . . . . . 7063 1 314 . 1 1 25 25 LYS HG2 H 1 1.115 0.02 . 2 . . . . . . . . 7063 1 315 . 1 1 25 25 LYS HG3 H 1 1.044 0.02 . 2 . . . . . . . . 7063 1 316 . 1 1 25 25 LYS HE2 H 1 2.592 0.02 . 2 . . . . . . . . 7063 1 317 . 1 1 25 25 LYS HE3 H 1 2.507 0.02 . 2 . . . . . . . . 7063 1 318 . 1 1 25 25 LYS C C 13 177.62 0.015 . 1 . . . . . . . . 7063 1 319 . 1 1 25 25 LYS CA C 13 57.54 0.015 . 1 . . . . . . . . 7063 1 320 . 1 1 25 25 LYS CB C 13 35.02 0.015 . 1 . . . . . . . . 7063 1 321 . 1 1 25 25 LYS CG C 13 25.77 0.015 . 1 . . . . . . . . 7063 1 322 . 1 1 25 25 LYS CD C 13 29.50 0.015 . 1 . . . . . . . . 7063 1 323 . 1 1 25 25 LYS CE C 13 41.49 0.015 . 1 . . . . . . . . 7063 1 324 . 1 1 25 25 LYS N N 15 114.27 0.015 . 1 . . . . . . . . 7063 1 325 . 1 1 26 26 THR H H 1 8.004 0.02 . 1 . . . . . . . . 7063 1 326 . 1 1 26 26 THR HA H 1 5.634 0.02 . 1 . . . . . . . . 7063 1 327 . 1 1 26 26 THR HB H 1 3.950 0.02 . 1 . . . . . . . . 7063 1 328 . 1 1 26 26 THR HG21 H 1 1.225 0.02 . 1 . . . . . . . . 7063 1 329 . 1 1 26 26 THR HG22 H 1 1.225 0.02 . 1 . . . . . . . . 7063 1 330 . 1 1 26 26 THR HG23 H 1 1.225 0.02 . 1 . . . . . . . . 7063 1 331 . 1 1 26 26 THR C C 13 171.08 0.015 . 1 . . . . . . . . 7063 1 332 . 1 1 26 26 THR CA C 13 60.22 0.015 . 1 . . . . . . . . 7063 1 333 . 1 1 26 26 THR CB C 13 72.81 0.015 . 1 . . . . . . . . 7063 1 334 . 1 1 26 26 THR CG2 C 13 21.10 0.015 . 1 . . . . . . . . 7063 1 335 . 1 1 26 26 THR N N 15 116.70 0.015 . 1 . . . . . . . . 7063 1 336 . 1 1 27 27 TYR H H 1 8.102 0.02 . 1 . . . . . . . . 7063 1 337 . 1 1 27 27 TYR HA H 1 5.750 0.02 . 1 . . . . . . . . 7063 1 338 . 1 1 27 27 TYR HB2 H 1 3.064 0.02 . 2 . . . . . . . . 7063 1 339 . 1 1 27 27 TYR HB3 H 1 2.942 0.02 . 2 . . . . . . . . 7063 1 340 . 1 1 27 27 TYR C C 13 176.35 0.015 . 1 . . . . . . . . 7063 1 341 . 1 1 27 27 TYR CA C 13 55.28 0.015 . 1 . . . . . . . . 7063 1 342 . 1 1 27 27 TYR CB C 13 42.66 0.015 . 1 . . . . . . . . 7063 1 343 . 1 1 27 27 TYR N N 15 119.51 0.015 . 1 . . . . . . . . 7063 1 344 . 1 1 27 27 TYR CD1 C 13 132.9 0.015 . 1 . . . . . . . . 7063 1 345 . 1 1 27 27 TYR CD2 C 13 132.9 0.015 . 1 . . . . . . . . 7063 1 346 . 1 1 27 27 TYR CE1 C 13 117.9 0.015 . 1 . . . . . . . . 7063 1 347 . 1 1 27 27 TYR CE2 C 13 117.9 0.015 . 1 . . . . . . . . 7063 1 348 . 1 1 27 27 TYR HD1 H 1 7.10 0.02 . 1 . . . . . . . . 7063 1 349 . 1 1 27 27 TYR HD2 H 1 7.10 0.02 . 1 . . . . . . . . 7063 1 350 . 1 1 27 27 TYR HE1 H 1 6.81 0.02 . 1 . . . . . . . . 7063 1 351 . 1 1 27 27 TYR HE2 H 1 6.81 0.02 . 1 . . . . . . . . 7063 1 352 . 1 1 28 28 GLY H H 1 9.658 0.02 . 1 . . . . . . . . 7063 1 353 . 1 1 28 28 GLY HA2 H 1 4.621 0.02 . 2 . . . . . . . . 7063 1 354 . 1 1 28 28 GLY HA3 H 1 3.795 0.02 . 2 . . . . . . . . 7063 1 355 . 1 1 28 28 GLY C C 13 171.91 0.015 . 1 . . . . . . . . 7063 1 356 . 1 1 28 28 GLY CA C 13 45.75 0.015 . 1 . . . . . . . . 7063 1 357 . 1 1 28 28 GLY N N 15 113.31 0.015 . 1 . . . . . . . . 7063 1 358 . 1 1 29 29 TYR H H 1 8.584 0.02 . 1 . . . . . . . . 7063 1 359 . 1 1 29 29 TYR HA H 1 4.679 0.02 . 1 . . . . . . . . 7063 1 360 . 1 1 29 29 TYR HB2 H 1 2.495 0.02 . 2 . . . . . . . . 7063 1 361 . 1 1 29 29 TYR HB3 H 1 2.160 0.02 . 2 . . . . . . . . 7063 1 362 . 1 1 29 29 TYR C C 13 172.74 0.015 . 1 . . . . . . . . 7063 1 363 . 1 1 29 29 TYR CA C 13 57.53 0.015 . 1 . . . . . . . . 7063 1 364 . 1 1 29 29 TYR CB C 13 43.94 0.015 . 1 . . . . . . . . 7063 1 365 . 1 1 29 29 TYR N N 15 126.81 0.015 . 1 . . . . . . . . 7063 1 366 . 1 1 29 29 TYR CD1 C 13 131.7 0.015 . 1 . . . . . . . . 7063 1 367 . 1 1 29 29 TYR CD2 C 13 131.7 0.015 . 1 . . . . . . . . 7063 1 368 . 1 1 29 29 TYR CE1 C 13 118.1 0.015 . 1 . . . . . . . . 7063 1 369 . 1 1 29 29 TYR CE2 C 13 118.1 0.015 . 1 . . . . . . . . 7063 1 370 . 1 1 29 29 TYR HD1 H 1 6.45 0.02 . 1 . . . . . . . . 7063 1 371 . 1 1 29 29 TYR HD2 H 1 6.45 0.02 . 1 . . . . . . . . 7063 1 372 . 1 1 29 29 TYR HE1 H 1 6.43 0.02 . 1 . . . . . . . . 7063 1 373 . 1 1 29 29 TYR HE2 H 1 6.43 0.02 . 1 . . . . . . . . 7063 1 374 . 1 1 30 30 ARG H H 1 8.682 0.02 . 1 . . . . . . . . 7063 1 375 . 1 1 30 30 ARG HA H 1 5.028 0.02 . 1 . . . . . . . . 7063 1 376 . 1 1 30 30 ARG HB2 H 1 1.675 0.02 . 2 . . . . . . . . 7063 1 377 . 1 1 30 30 ARG HB3 H 1 1.636 0.02 . 2 . . . . . . . . 7063 1 378 . 1 1 30 30 ARG HG2 H 1 1.635 0.02 . 2 . . . . . . . . 7063 1 379 . 1 1 30 30 ARG HG3 H 1 1.485 0.02 . 2 . . . . . . . . 7063 1 380 . 1 1 30 30 ARG HD2 H 1 3.261 0.02 . 2 . . . . . . . . 7063 1 381 . 1 1 30 30 ARG HD3 H 1 3.144 0.02 . 2 . . . . . . . . 7063 1 382 . 1 1 30 30 ARG C C 13 175.35 0.015 . 1 . . . . . . . . 7063 1 383 . 1 1 30 30 ARG CA C 13 53.57 0.015 . 1 . . . . . . . . 7063 1 384 . 1 1 30 30 ARG CB C 13 35.03 0.015 . 1 . . . . . . . . 7063 1 385 . 1 1 30 30 ARG CG C 13 27.17 0.015 . 1 . . . . . . . . 7063 1 386 . 1 1 30 30 ARG CD C 13 43.46 0.015 . 1 . . . . . . . . 7063 1 387 . 1 1 30 30 ARG N N 15 118.97 0.015 . 1 . . . . . . . . 7063 1 388 . 1 1 30 30 ARG NE N 15 83.57 0.015 . 1 . . . . . . . . 7063 1 389 . 1 1 30 30 ARG HE H 1 7.310 0.02 . 1 . . . . . . . . 7063 1 390 . 1 1 31 31 ARG H H 1 8.076 0.02 . 1 . . . . . . . . 7063 1 391 . 1 1 31 31 ARG HA H 1 3.979 0.02 . 1 . . . . . . . . 7063 1 392 . 1 1 31 31 ARG HB2 H 1 0.522 0.02 . 2 . . . . . . . . 7063 1 393 . 1 1 31 31 ARG HB3 H 1 -0.266 0.02 . 2 . . . . . . . . 7063 1 394 . 1 1 31 31 ARG HD2 H 1 2.919 0.02 . 2 . . . . . . . . 7063 1 395 . 1 1 31 31 ARG HD3 H 1 1.966 0.02 . 2 . . . . . . . . 7063 1 396 . 1 1 31 31 ARG HG2 H 1 1.234 0.02 . 2 . . . . . . . . 7063 1 397 . 1 1 31 31 ARG HG3 H 1 0.834 0.02 . 2 . . . . . . . . 7063 1 398 . 1 1 31 31 ARG C C 13 175.75 0.015 . 1 . . . . . . . . 7063 1 399 . 1 1 31 31 ARG CA C 13 56.39 0.015 . 1 . . . . . . . . 7063 1 400 . 1 1 31 31 ARG CB C 13 30.76 0.015 . 1 . . . . . . . . 7063 1 401 . 1 1 31 31 ARG CG C 13 25.68 0.015 . 1 . . . . . . . . 7063 1 402 . 1 1 31 31 ARG CD C 13 43.41 0.015 . 1 . . . . . . . . 7063 1 403 . 1 1 31 31 ARG N N 15 124.71 0.015 . 1 . . . . . . . . 7063 1 404 . 1 1 31 31 ARG NE N 15 84.79 0.015 . 1 . . . . . . . . 7063 1 405 . 1 1 31 31 ARG HE H 1 6.965 0.02 . 1 . . . . . . . . 7063 1 406 . 1 1 32 32 GLY H H 1 9.272 0.02 . 1 . . . . . . . . 7063 1 407 . 1 1 32 32 GLY HA2 H 1 3.889 0.02 . 2 . . . . . . . . 7063 1 408 . 1 1 32 32 GLY HA3 H 1 3.558 0.02 . 2 . . . . . . . . 7063 1 409 . 1 1 32 32 GLY C C 13 175.08 0.015 . 1 . . . . . . . . 7063 1 410 . 1 1 32 32 GLY CA C 13 46.99 0.015 . 1 . . . . . . . . 7063 1 411 . 1 1 32 32 GLY N N 15 120.57 0.015 . 1 . . . . . . . . 7063 1 412 . 1 1 33 33 GLU H H 1 9.237 0.02 . 1 . . . . . . . . 7063 1 413 . 1 1 33 33 GLU HA H 1 4.284 0.02 . 1 . . . . . . . . 7063 1 414 . 1 1 33 33 GLU HB2 H 1 2.156 0.02 . 2 . . . . . . . . 7063 1 415 . 1 1 33 33 GLU HB3 H 1 1.874 0.02 . 2 . . . . . . . . 7063 1 416 . 1 1 33 33 GLU HG2 H 1 2.210 0.02 . 1 . . . . . . . . 7063 1 417 . 1 1 33 33 GLU HG3 H 1 2.210 0.02 . 1 . . . . . . . . 7063 1 418 . 1 1 33 33 GLU C C 13 176.72 0.015 . 1 . . . . . . . . 7063 1 419 . 1 1 33 33 GLU CA C 13 56.47 0.015 . 1 . . . . . . . . 7063 1 420 . 1 1 33 33 GLU CB C 13 29.69 0.015 . 1 . . . . . . . . 7063 1 421 . 1 1 33 33 GLU CG C 13 36.11 0.015 . 1 . . . . . . . . 7063 1 422 . 1 1 33 33 GLU N N 15 126.53 0.015 . 1 . . . . . . . . 7063 1 423 . 1 1 34 34 ASN H H 1 8.208 0.02 . 1 . . . . . . . . 7063 1 424 . 1 1 34 34 ASN HA H 1 4.995 0.02 . 1 . . . . . . . . 7063 1 425 . 1 1 34 34 ASN HB2 H 1 2.418 0.02 . 2 . . . . . . . . 7063 1 426 . 1 1 34 34 ASN HB3 H 1 1.848 0.02 . 2 . . . . . . . . 7063 1 427 . 1 1 34 34 ASN HD21 H 1 7.709 0.02 . 1 . . . . . . . . 7063 1 428 . 1 1 34 34 ASN HD22 H 1 7.597 0.02 . 1 . . . . . . . . 7063 1 429 . 1 1 34 34 ASN C C 13 173.56 0.015 . 1 . . . . . . . . 7063 1 430 . 1 1 34 34 ASN CA C 13 53.52 0.015 . 1 . . . . . . . . 7063 1 431 . 1 1 34 34 ASN CB C 13 40.79 0.015 . 1 . . . . . . . . 7063 1 432 . 1 1 34 34 ASN N N 15 118.49 0.015 . 1 . . . . . . . . 7063 1 433 . 1 1 34 34 ASN ND2 N 15 116.99 0.015 . 1 . . . . . . . . 7063 1 434 . 1 1 35 35 TYR H H 1 8.481 0.02 . 1 . . . . . . . . 7063 1 435 . 1 1 35 35 TYR HA H 1 5.223 0.02 . 1 . . . . . . . . 7063 1 436 . 1 1 35 35 TYR HB2 H 1 3.287 0.02 . 2 . . . . . . . . 7063 1 437 . 1 1 35 35 TYR HB3 H 1 2.656 0.02 . 2 . . . . . . . . 7063 1 438 . 1 1 35 35 TYR C C 13 174.83 0.015 . 1 . . . . . . . . 7063 1 439 . 1 1 35 35 TYR CA C 13 57.46 0.015 . 1 . . . . . . . . 7063 1 440 . 1 1 35 35 TYR CB C 13 43.96 0.015 . 1 . . . . . . . . 7063 1 441 . 1 1 35 35 TYR N N 15 126.49 0.015 . 1 . . . . . . . . 7063 1 442 . 1 1 35 35 TYR CD1 C 13 132.8 0.015 . 1 . . . . . . . . 7063 1 443 . 1 1 35 35 TYR CD2 C 13 132.8 0.015 . 1 . . . . . . . . 7063 1 444 . 1 1 35 35 TYR CE1 C 13 117.5 0.015 . 1 . . . . . . . . 7063 1 445 . 1 1 35 35 TYR CE2 C 13 117.5 0.015 . 1 . . . . . . . . 7063 1 446 . 1 1 35 35 TYR HD1 H 1 6.43 0.02 . 1 . . . . . . . . 7063 1 447 . 1 1 35 35 TYR HD2 H 1 6.43 0.02 . 1 . . . . . . . . 7063 1 448 . 1 1 35 35 TYR HE1 H 1 5.93 0.02 . 1 . . . . . . . . 7063 1 449 . 1 1 35 35 TYR HE2 H 1 5.93 0.02 . 1 . . . . . . . . 7063 1 450 . 1 1 36 36 VAL H H 1 8.746 0.02 . 1 . . . . . . . . 7063 1 451 . 1 1 36 36 VAL HA H 1 5.194 0.02 . 1 . . . . . . . . 7063 1 452 . 1 1 36 36 VAL HB H 1 2.099 0.02 . 1 . . . . . . . . 7063 1 453 . 1 1 36 36 VAL HG11 H 1 0.940 0.02 . 1 . . . . . . . . 7063 1 454 . 1 1 36 36 VAL HG12 H 1 0.940 0.02 . 1 . . . . . . . . 7063 1 455 . 1 1 36 36 VAL HG13 H 1 0.940 0.02 . 1 . . . . . . . . 7063 1 456 . 1 1 36 36 VAL HG21 H 1 0.295 0.02 . 1 . . . . . . . . 7063 1 457 . 1 1 36 36 VAL HG22 H 1 0.295 0.02 . 1 . . . . . . . . 7063 1 458 . 1 1 36 36 VAL HG23 H 1 0.295 0.02 . 1 . . . . . . . . 7063 1 459 . 1 1 36 36 VAL C C 13 172.81 0.015 . 1 . . . . . . . . 7063 1 460 . 1 1 36 36 VAL CA C 13 58.85 0.015 . 1 . . . . . . . . 7063 1 461 . 1 1 36 36 VAL CB C 13 35.71 0.015 . 1 . . . . . . . . 7063 1 462 . 1 1 36 36 VAL CG1 C 13 23.22 0.015 . 1 . . . . . . . . 7063 1 463 . 1 1 36 36 VAL CG2 C 13 20.57 0.015 . 1 . . . . . . . . 7063 1 464 . 1 1 36 36 VAL N N 15 119.79 0.015 . 1 . . . . . . . . 7063 1 465 . 1 1 37 37 TYR H H 1 8.162 0.02 . 1 . . . . . . . . 7063 1 466 . 1 1 37 37 TYR HA H 1 5.496 0.02 . 1 . . . . . . . . 7063 1 467 . 1 1 37 37 TYR HB2 H 1 2.587 0.02 . 2 . . . . . . . . 7063 1 468 . 1 1 37 37 TYR HB3 H 1 1.556 0.02 . 2 . . . . . . . . 7063 1 469 . 1 1 37 37 TYR C C 13 175.33 0.015 . 1 . . . . . . . . 7063 1 470 . 1 1 37 37 TYR CA C 13 56.93 0.015 . 1 . . . . . . . . 7063 1 471 . 1 1 37 37 TYR CB C 13 40.59 0.015 . 1 . . . . . . . . 7063 1 472 . 1 1 37 37 TYR HD1 H 1 6.435 0.02 . 1 . . . . . . . . 7063 1 473 . 1 1 37 37 TYR HD2 H 1 6.435 0.02 . 1 . . . . . . . . 7063 1 474 . 1 1 37 37 TYR HE1 H 1 5.932 0.02 . 1 . . . . . . . . 7063 1 475 . 1 1 37 37 TYR HE2 H 1 5.932 0.02 . 1 . . . . . . . . 7063 1 476 . 1 1 37 37 TYR CE1 C 13 117.4 0.015 . 1 . . . . . . . . 7063 1 477 . 1 1 37 37 TYR CE2 C 13 117.4 0.015 . 1 . . . . . . . . 7063 1 478 . 1 1 37 37 TYR CD1 C 13 132.7 0.015 . 1 . . . . . . . . 7063 1 479 . 1 1 37 37 TYR CD2 C 13 132.7 0.015 . 1 . . . . . . . . 7063 1 480 . 1 1 37 37 TYR N N 15 116.01 0.015 . 1 . . . . . . . . 7063 1 481 . 1 1 38 38 VAL H H 1 9.751 0.02 . 1 . . . . . . . . 7063 1 482 . 1 1 38 38 VAL HA H 1 5.093 0.02 . 1 . . . . . . . . 7063 1 483 . 1 1 38 38 VAL HB H 1 2.437 0.02 . 1 . . . . . . . . 7063 1 484 . 1 1 38 38 VAL HG11 H 1 1.092 0.02 . 1 . . . . . . . . 7063 1 485 . 1 1 38 38 VAL HG12 H 1 1.092 0.02 . 1 . . . . . . . . 7063 1 486 . 1 1 38 38 VAL HG13 H 1 1.092 0.02 . 1 . . . . . . . . 7063 1 487 . 1 1 38 38 VAL HG21 H 1 0.898 0.02 . 1 . . . . . . . . 7063 1 488 . 1 1 38 38 VAL HG22 H 1 0.898 0.02 . 1 . . . . . . . . 7063 1 489 . 1 1 38 38 VAL HG23 H 1 0.898 0.02 . 1 . . . . . . . . 7063 1 490 . 1 1 38 38 VAL C C 13 177.27 0.015 . 1 . . . . . . . . 7063 1 491 . 1 1 38 38 VAL CA C 13 60.33 0.015 . 1 . . . . . . . . 7063 1 492 . 1 1 38 38 VAL CB C 13 33.50 0.015 . 1 . . . . . . . . 7063 1 493 . 1 1 38 38 VAL CG1 C 13 21.76 0.015 . 1 . . . . . . . . 7063 1 494 . 1 1 38 38 VAL CG2 C 13 22.53 0.015 . 1 . . . . . . . . 7063 1 495 . 1 1 38 38 VAL N N 15 120.50 0.015 . 1 . . . . . . . . 7063 1 496 . 1 1 39 39 ASN H H 1 9.692 0.02 . 1 . . . . . . . . 7063 1 497 . 1 1 39 39 ASN HA H 1 4.953 0.02 . 1 . . . . . . . . 7063 1 498 . 1 1 39 39 ASN HB2 H 1 3.613 0.02 . 2 . . . . . . . . 7063 1 499 . 1 1 39 39 ASN HB3 H 1 2.825 0.02 . 2 . . . . . . . . 7063 1 500 . 1 1 39 39 ASN HD21 H 1 7.371 0.02 . 2 . . . . . . . . 7063 1 501 . 1 1 39 39 ASN HD22 H 1 7.281 0.02 . 2 . . . . . . . . 7063 1 502 . 1 1 39 39 ASN C C 13 175.51 0.015 . 1 . . . . . . . . 7063 1 503 . 1 1 39 39 ASN CA C 13 51.77 0.015 . 1 . . . . . . . . 7063 1 504 . 1 1 39 39 ASN CB C 13 37.92 0.015 . 1 . . . . . . . . 7063 1 505 . 1 1 39 39 ASN N N 15 129.28 0.015 . 1 . . . . . . . . 7063 1 506 . 1 1 39 39 ASN ND2 N 15 113.52 0.015 . 1 . . . . . . . . 7063 1 507 . 1 1 40 40 ARG H H 1 8.213 0.02 . 1 . . . . . . . . 7063 1 508 . 1 1 40 40 ARG HA H 1 3.667 0.02 . 1 . . . . . . . . 7063 1 509 . 1 1 40 40 ARG HB2 H 1 1.983 0.02 . 2 . . . . . . . . 7063 1 510 . 1 1 40 40 ARG HB3 H 1 1.133 0.02 . 2 . . . . . . . . 7063 1 511 . 1 1 40 40 ARG HG2 H 1 1.169 0.02 . 2 . . . . . . . . 7063 1 512 . 1 1 40 40 ARG HG3 H 1 0.979 0.02 . 2 . . . . . . . . 7063 1 513 . 1 1 40 40 ARG HD2 H 1 2.351 0.02 . 2 . . . . . . . . 7063 1 514 . 1 1 40 40 ARG HD3 H 1 1.659 0.02 . 2 . . . . . . . . 7063 1 515 . 1 1 40 40 ARG C C 13 176.73 0.015 . 1 . . . . . . . . 7063 1 516 . 1 1 40 40 ARG CA C 13 58.47 0.015 . 1 . . . . . . . . 7063 1 517 . 1 1 40 40 ARG CB C 13 30.25 0.015 . 1 . . . . . . . . 7063 1 518 . 1 1 40 40 ARG CG C 13 27.55 0.015 . 1 . . . . . . . . 7063 1 519 . 1 1 40 40 ARG CD C 13 42.94 0.015 . 1 . . . . . . . . 7063 1 520 . 1 1 40 40 ARG N N 15 123.88 0.015 . 1 . . . . . . . . 7063 1 521 . 1 1 40 40 ARG NE N 15 85.57 0.015 . 1 . . . . . . . . 7063 1 522 . 1 1 40 40 ARG HE H 1 7.525 0.02 . 1 . . . . . . . . 7063 1 523 . 1 1 41 41 GLU H H 1 7.639 0.02 . 1 . . . . . . . . 7063 1 524 . 1 1 41 41 GLU HA H 1 4.157 0.02 . 1 . . . . . . . . 7063 1 525 . 1 1 41 41 GLU HB2 H 1 2.170 0.02 . 2 . . . . . . . . 7063 1 526 . 1 1 41 41 GLU HB3 H 1 2.260 0.02 . 2 . . . . . . . . 7063 1 527 . 1 1 41 41 GLU HG2 H 1 2.260 0.02 . 2 . . . . . . . . 7063 1 528 . 1 1 41 41 GLU HG3 H 1 2.100 0.02 . 2 . . . . . . . . 7063 1 529 . 1 1 41 41 GLU C C 13 176.63 0.015 . 1 . . . . . . . . 7063 1 530 . 1 1 41 41 GLU CA C 13 56.70 0.015 . 1 . . . . . . . . 7063 1 531 . 1 1 41 41 GLU CB C 13 29.39 0.015 . 1 . . . . . . . . 7063 1 532 . 1 1 41 41 GLU CG C 13 37.67 0.015 . 1 . . . . . . . . 7063 1 533 . 1 1 41 41 GLU N N 15 113.90 0.015 . 1 . . . . . . . . 7063 1 534 . 1 1 42 42 ALA H H 1 6.767 0.02 . 1 . . . . . . . . 7063 1 535 . 1 1 42 42 ALA HA H 1 4.625 0.02 . 1 . . . . . . . . 7063 1 536 . 1 1 42 42 ALA HB1 H 1 1.189 0.02 . 1 . . . . . . . . 7063 1 537 . 1 1 42 42 ALA HB2 H 1 1.189 0.02 . 1 . . . . . . . . 7063 1 538 . 1 1 42 42 ALA HB3 H 1 1.189 0.02 . 1 . . . . . . . . 7063 1 539 . 1 1 42 42 ALA C C 13 177.44 0.015 . 1 . . . . . . . . 7063 1 540 . 1 1 42 42 ALA CA C 13 50.45 0.015 . 1 . . . . . . . . 7063 1 541 . 1 1 42 42 ALA CB C 13 16.53 0.015 . 1 . . . . . . . . 7063 1 542 . 1 1 42 42 ALA N N 15 122.59 0.015 . 1 . . . . . . . . 7063 1 543 . 1 1 43 43 ARG H H 1 7.900 0.02 . 1 . . . . . . . . 7063 1 544 . 1 1 43 43 ARG HA H 1 3.851 0.02 . 1 . . . . . . . . 7063 1 545 . 1 1 43 43 ARG HB2 H 1 1.876 0.02 . 1 . . . . . . . . 7063 1 546 . 1 1 43 43 ARG HB3 H 1 1.876 0.02 . 1 . . . . . . . . 7063 1 547 . 1 1 43 43 ARG HD2 H 1 3.231 0.02 . 1 . . . . . . . . 7063 1 548 . 1 1 43 43 ARG HD3 H 1 3.231 0.02 . 1 . . . . . . . . 7063 1 549 . 1 1 43 43 ARG HG2 H 1 1.726 0.02 . 2 . . . . . . . . 7063 1 550 . 1 1 43 43 ARG HG3 H 1 1.670 0.02 . 2 . . . . . . . . 7063 1 551 . 1 1 43 43 ARG C C 13 177.77 0.015 . 1 . . . . . . . . 7063 1 552 . 1 1 43 43 ARG CA C 13 59.41 0.015 . 1 . . . . . . . . 7063 1 553 . 1 1 43 43 ARG CB C 13 30.08 0.015 . 1 . . . . . . . . 7063 1 554 . 1 1 43 43 ARG CG C 13 27.89 0.015 . 1 . . . . . . . . 7063 1 555 . 1 1 43 43 ARG CD C 13 42.93 0.015 . 1 . . . . . . . . 7063 1 556 . 1 1 43 43 ARG N N 15 123.43 0.015 . 1 . . . . . . . . 7063 1 557 . 1 1 44 44 MET H H 1 8.325 0.02 . 1 . . . . . . . . 7063 1 558 . 1 1 44 44 MET HA H 1 4.713 0.02 . 1 . . . . . . . . 7063 1 559 . 1 1 44 44 MET HB2 H 1 2.294 0.02 . 1 . . . . . . . . 7063 1 560 . 1 1 44 44 MET HB3 H 1 2.294 0.02 . 1 . . . . . . . . 7063 1 561 . 1 1 44 44 MET HG2 H 1 2.693 0.02 . 2 . . . . . . . . 7063 1 562 . 1 1 44 44 MET HG3 H 1 2.478 0.02 . 2 . . . . . . . . 7063 1 563 . 1 1 44 44 MET C C 13 177.07 0.015 . 1 . . . . . . . . 7063 1 564 . 1 1 44 44 MET CA C 13 54.35 0.015 . 1 . . . . . . . . 7063 1 565 . 1 1 44 44 MET CB C 13 31.98 0.015 . 1 . . . . . . . . 7063 1 566 . 1 1 44 44 MET CG C 13 32.75 0.015 . 1 . . . . . . . . 7063 1 567 . 1 1 44 44 MET N N 15 114.03 0.015 . 1 . . . . . . . . 7063 1 568 . 1 1 45 45 GLY H H 1 7.869 0.02 . 1 . . . . . . . . 7063 1 569 . 1 1 45 45 GLY HA2 H 1 4.430 0.02 . 2 . . . . . . . . 7063 1 570 . 1 1 45 45 GLY HA3 H 1 3.501 0.02 . 2 . . . . . . . . 7063 1 571 . 1 1 45 45 GLY C C 13 174.73 0.015 . 1 . . . . . . . . 7063 1 572 . 1 1 45 45 GLY CA C 13 46.48 0.015 . 1 . . . . . . . . 7063 1 573 . 1 1 45 45 GLY N N 15 105.01 0.015 . 1 . . . . . . . . 7063 1 574 . 1 1 46 46 ARG H H 1 8.071 0.02 . 1 . . . . . . . . 7063 1 575 . 1 1 46 46 ARG HA H 1 2.763 0.02 . 1 . . . . . . . . 7063 1 576 . 1 1 46 46 ARG HB2 H 1 1.658 0.02 . 2 . . . . . . . . 7063 1 577 . 1 1 46 46 ARG HB3 H 1 1.575 0.02 . 2 . . . . . . . . 7063 1 578 . 1 1 46 46 ARG HG2 H 1 1.225 0.02 . 2 . . . . . . . . 7063 1 579 . 1 1 46 46 ARG HG3 H 1 1.137 0.02 . 2 . . . . . . . . 7063 1 580 . 1 1 46 46 ARG HD2 H 1 2.960 0.02 . 1 . . . . . . . . 7063 1 581 . 1 1 46 46 ARG HD3 H 1 2.960 0.02 . 1 . . . . . . . . 7063 1 582 . 1 1 46 46 ARG C C 13 175.09 0.015 . 1 . . . . . . . . 7063 1 583 . 1 1 46 46 ARG CA C 13 59.67 0.015 . 1 . . . . . . . . 7063 1 584 . 1 1 46 46 ARG CB C 13 30.08 0.015 . 1 . . . . . . . . 7063 1 585 . 1 1 46 46 ARG CG C 13 27.79 0.015 . 1 . . . . . . . . 7063 1 586 . 1 1 46 46 ARG CD C 13 42.67 0.015 . 1 . . . . . . . . 7063 1 587 . 1 1 46 46 ARG N N 15 123.70 0.015 . 1 . . . . . . . . 7063 1 588 . 1 1 47 47 THR H H 1 6.177 0.02 . 1 . . . . . . . . 7063 1 589 . 1 1 47 47 THR HA H 1 4.063 0.02 . 1 . . . . . . . . 7063 1 590 . 1 1 47 47 THR HB H 1 4.260 0.02 . 1 . . . . . . . . 7063 1 591 . 1 1 47 47 THR HG21 H 1 0.813 0.02 . 1 . . . . . . . . 7063 1 592 . 1 1 47 47 THR HG22 H 1 0.813 0.02 . 1 . . . . . . . . 7063 1 593 . 1 1 47 47 THR HG23 H 1 0.813 0.02 . 1 . . . . . . . . 7063 1 594 . 1 1 47 47 THR C C 13 174.07 0.015 . 1 . . . . . . . . 7063 1 595 . 1 1 47 47 THR CA C 13 57.56 0.015 . 1 . . . . . . . . 7063 1 596 . 1 1 47 47 THR CB C 13 67.29 0.015 . 1 . . . . . . . . 7063 1 597 . 1 1 47 47 THR CG2 C 13 21.17 0.015 . 1 . . . . . . . . 7063 1 598 . 1 1 47 47 THR N N 15 100.01 0.015 . 1 . . . . . . . . 7063 1 599 . 1 1 48 48 ALA H H 1 6.317 0.02 . 1 . . . . . . . . 7063 1 600 . 1 1 48 48 ALA HA H 1 4.288 0.02 . 1 . . . . . . . . 7063 1 601 . 1 1 48 48 ALA HB1 H 1 1.539 0.02 . 1 . . . . . . . . 7063 1 602 . 1 1 48 48 ALA HB2 H 1 1.539 0.02 . 1 . . . . . . . . 7063 1 603 . 1 1 48 48 ALA HB3 H 1 1.539 0.02 . 1 . . . . . . . . 7063 1 604 . 1 1 48 48 ALA C C 13 176.76 0.015 . 1 . . . . . . . . 7063 1 605 . 1 1 48 48 ALA CA C 13 55.60 0.015 . 1 . . . . . . . . 7063 1 606 . 1 1 48 48 ALA CB C 13 21.16 0.015 . 1 . . . . . . . . 7063 1 607 . 1 1 48 48 ALA N N 15 119.12 0.015 . 1 . . . . . . . . 7063 1 608 . 1 1 49 49 LEU H H 1 9.154 0.02 . 1 . . . . . . . . 7063 1 609 . 1 1 49 49 LEU HA H 1 5.150 0.02 . 1 . . . . . . . . 7063 1 610 . 1 1 49 49 LEU HB2 H 1 2.091 0.02 . 2 . . . . . . . . 7063 1 611 . 1 1 49 49 LEU HB3 H 1 1.111 0.02 . 2 . . . . . . . . 7063 1 612 . 1 1 49 49 LEU HG H 1 1.514 0.02 . 1 . . . . . . . . 7063 1 613 . 1 1 49 49 LEU CG C 13 27.66 0.015 . 1 . . . . . . . . 7063 1 614 . 1 1 49 49 LEU HD21 H 1 0.806 0.02 . 1 . . . . . . . . 7063 1 615 . 1 1 49 49 LEU HD22 H 1 0.806 0.02 . 1 . . . . . . . . 7063 1 616 . 1 1 49 49 LEU HD23 H 1 0.806 0.02 . 1 . . . . . . . . 7063 1 617 . 1 1 49 49 LEU HD11 H 1 0.729 0.02 . 1 . . . . . . . . 7063 1 618 . 1 1 49 49 LEU HD12 H 1 0.729 0.02 . 1 . . . . . . . . 7063 1 619 . 1 1 49 49 LEU HD13 H 1 0.729 0.02 . 1 . . . . . . . . 7063 1 620 . 1 1 49 49 LEU C C 13 173.96 0.015 . 1 . . . . . . . . 7063 1 621 . 1 1 49 49 LEU CA C 13 53.98 0.015 . 1 . . . . . . . . 7063 1 622 . 1 1 49 49 LEU CB C 13 45.26 0.015 . 1 . . . . . . . . 7063 1 623 . 1 1 49 49 LEU CD2 C 13 27.56 0.015 . 1 . . . . . . . . 7063 1 624 . 1 1 49 49 LEU CD1 C 13 24.06 0.015 . 1 . . . . . . . . 7063 1 625 . 1 1 49 49 LEU N N 15 118.59 0.015 . 1 . . . . . . . . 7063 1 626 . 1 1 50 50 ILE H H 1 9.661 0.02 . 1 . . . . . . . . 7063 1 627 . 1 1 50 50 ILE HA H 1 4.674 0.02 . 1 . . . . . . . . 7063 1 628 . 1 1 50 50 ILE HB H 1 2.175 0.02 . 1 . . . . . . . . 7063 1 629 . 1 1 50 50 ILE HG12 H 1 1.480 0.02 . 2 . . . . . . . . 7063 1 630 . 1 1 50 50 ILE HG13 H 1 1.260 0.02 . 2 . . . . . . . . 7063 1 631 . 1 1 50 50 ILE HG21 H 1 0.784 0.02 . 1 . . . . . . . . 7063 1 632 . 1 1 50 50 ILE HG22 H 1 0.784 0.02 . 1 . . . . . . . . 7063 1 633 . 1 1 50 50 ILE HG23 H 1 0.784 0.02 . 1 . . . . . . . . 7063 1 634 . 1 1 50 50 ILE HD11 H 1 0.694 0.02 . 1 . . . . . . . . 7063 1 635 . 1 1 50 50 ILE HD12 H 1 0.694 0.02 . 1 . . . . . . . . 7063 1 636 . 1 1 50 50 ILE HD13 H 1 0.694 0.02 . 1 . . . . . . . . 7063 1 637 . 1 1 50 50 ILE C C 13 176.02 0.015 . 1 . . . . . . . . 7063 1 638 . 1 1 50 50 ILE CA C 13 58.75 0.015 . 1 . . . . . . . . 7063 1 639 . 1 1 50 50 ILE CB C 13 36.10 0.015 . 1 . . . . . . . . 7063 1 640 . 1 1 50 50 ILE CG1 C 13 24.59 0.015 . 1 . . . . . . . . 7063 1 641 . 1 1 50 50 ILE CG2 C 13 17.30 0.015 . 1 . . . . . . . . 7063 1 642 . 1 1 50 50 ILE CD1 C 13 10.08 0.015 . 1 . . . . . . . . 7063 1 643 . 1 1 50 50 ILE N N 15 129.28 0.015 . 1 . . . . . . . . 7063 1 644 . 1 1 51 51 ILE H H 1 8.111 0.02 . 1 . . . . . . . . 7063 1 645 . 1 1 51 51 ILE HA H 1 5.186 0.02 . 1 . . . . . . . . 7063 1 646 . 1 1 51 51 ILE HB H 1 2.204 0.02 . 1 . . . . . . . . 7063 1 647 . 1 1 51 51 ILE HG12 H 1 1.638 0.02 . 2 . . . . . . . . 7063 1 648 . 1 1 51 51 ILE HG13 H 1 1.423 0.02 . 2 . . . . . . . . 7063 1 649 . 1 1 51 51 ILE HG21 H 1 1.043 0.02 . 1 . . . . . . . . 7063 1 650 . 1 1 51 51 ILE HG22 H 1 1.043 0.02 . 1 . . . . . . . . 7063 1 651 . 1 1 51 51 ILE HG23 H 1 1.043 0.02 . 1 . . . . . . . . 7063 1 652 . 1 1 51 51 ILE HD11 H 1 0.851 0.02 . 1 . . . . . . . . 7063 1 653 . 1 1 51 51 ILE HD12 H 1 0.851 0.02 . 1 . . . . . . . . 7063 1 654 . 1 1 51 51 ILE HD13 H 1 0.851 0.02 . 1 . . . . . . . . 7063 1 655 . 1 1 51 51 ILE C C 13 175.724 0.015 . 1 . . . . . . . . 7063 1 656 . 1 1 51 51 ILE CA C 13 58.90 0.015 . 1 . . . . . . . . 7063 1 657 . 1 1 51 51 ILE CB C 13 41.19 0.015 . 1 . . . . . . . . 7063 1 658 . 1 1 51 51 ILE CG1 C 13 26.40 0.015 . 1 . . . . . . . . 7063 1 659 . 1 1 51 51 ILE CG2 C 13 17.75 0.015 . 1 . . . . . . . . 7063 1 660 . 1 1 51 51 ILE CD1 C 13 13.99 0.015 . 1 . . . . . . . . 7063 1 661 . 1 1 51 51 ILE N N 15 119.94 0.015 . 1 . . . . . . . . 7063 1 662 . 1 1 52 52 HIS H H 1 9.587 0.02 . 1 . . . . . . . . 7063 1 663 . 1 1 52 52 HIS HA H 1 2.702 0.02 . 1 . . . . . . . . 7063 1 664 . 1 1 52 52 HIS HB2 H 1 3.080 0.02 . 2 . . . . . . . . 7063 1 665 . 1 1 52 52 HIS HB3 H 1 2.839 0.02 . 2 . . . . . . . . 7063 1 666 . 1 1 52 52 HIS C C 13 175.338 0.015 . 1 . . . . . . . . 7063 1 667 . 1 1 52 52 HIS CA C 13 55.71 0.015 . 1 . . . . . . . . 7063 1 668 . 1 1 52 52 HIS CB C 13 31.92 0.015 . 1 . . . . . . . . 7063 1 669 . 1 1 52 52 HIS N N 15 126.69 0.015 . 1 . . . . . . . . 7063 1 670 . 1 1 52 52 HIS CD2 C 13 118.3 0.015 . 1 . . . . . . . . 7063 1 671 . 1 1 52 52 HIS HD2 H 1 7.288 0.02 . 1 . . . . . . . . 7063 1 672 . 1 1 52 52 HIS CE1 C 13 138.0 0.015 . 1 . . . . . . . . 7063 1 673 . 1 1 52 52 HIS HE1 H 1 7.915 0.02 . 1 . . . . . . . . 7063 1 674 . 1 1 53 53 PRO HA H 1 4.159 0.02 . 1 . . . . . . . . 7063 1 675 . 1 1 53 53 PRO HB2 H 1 2.210 0.02 . 2 . . . . . . . . 7063 1 676 . 1 1 53 53 PRO HB3 H 1 1.941 0.02 . 2 . . . . . . . . 7063 1 677 . 1 1 53 53 PRO HG2 H 1 1.125 0.02 . 2 . . . . . . . . 7063 1 678 . 1 1 53 53 PRO HG3 H 1 0.977 0.02 . 2 . . . . . . . . 7063 1 679 . 1 1 53 53 PRO HD2 H 1 3.317 0.02 . 2 . . . . . . . . 7063 1 680 . 1 1 53 53 PRO HD3 H 1 2.065 0.02 . 2 . . . . . . . . 7063 1 681 . 1 1 53 53 PRO CA C 13 65.22 0.015 . 1 . . . . . . . . 7063 1 682 . 1 1 53 53 PRO CB C 13 32.33 0.015 . 1 . . . . . . . . 7063 1 683 . 1 1 53 53 PRO CG C 13 28.39 0.015 . 1 . . . . . . . . 7063 1 684 . 1 1 53 53 PRO CD C 13 50.50 0.015 . 1 . . . . . . . . 7063 1 685 . 1 1 53 53 PRO C C 13 179.21 0.015 . 1 . . . . . . . . 7063 1 686 . 1 1 54 54 ARG H H 1 11.935 0.02 . 1 . . . . . . . . 7063 1 687 . 1 1 54 54 ARG C C 13 178.26 0.015 . 1 . . . . . . . . 7063 1 688 . 1 1 54 54 ARG CA C 13 58.30 0.015 . 1 . . . . . . . . 7063 1 689 . 1 1 54 54 ARG CB C 13 28.76 0.015 . 1 . . . . . . . . 7063 1 690 . 1 1 54 54 ARG CG C 13 27.52 0.015 . 1 . . . . . . . . 7063 1 691 . 1 1 54 54 ARG CD C 13 42.90 0.015 . 1 . . . . . . . . 7063 1 692 . 1 1 54 54 ARG HA H 1 4.422 0.02 . 1 . . . . . . . . 7063 1 693 . 1 1 54 54 ARG HB2 H 1 2.046 0.02 . 2 . . . . . . . . 7063 1 694 . 1 1 54 54 ARG HB3 H 1 1.824 0.02 . 2 . . . . . . . . 7063 1 695 . 1 1 54 54 ARG HG2 H 1 1.494 0.02 . 2 . . . . . . . . 7063 1 696 . 1 1 54 54 ARG HG3 H 1 1.380 0.02 . 2 . . . . . . . . 7063 1 697 . 1 1 54 54 ARG HD2 H 1 2.998 0.02 . 2 . . . . . . . . 7063 1 698 . 1 1 54 54 ARG HD3 H 1 2.682 0.02 . 2 . . . . . . . . 7063 1 699 . 1 1 54 54 ARG N N 15 124.60 0.015 . 1 . . . . . . . . 7063 1 700 . 1 1 54 54 ARG NE N 15 84.12 0.015 . 1 . . . . . . . . 7063 1 701 . 1 1 54 54 ARG HE H 1 7.062 0.02 . 1 . . . . . . . . 7063 1 702 . 1 1 55 55 LEU H H 1 8.329 0.02 . 1 . . . . . . . . 7063 1 703 . 1 1 55 55 LEU HA H 1 4.531 0.02 . 1 . . . . . . . . 7063 1 704 . 1 1 55 55 LEU HB2 H 1 2.060 0.02 . 2 . . . . . . . . 7063 1 705 . 1 1 55 55 LEU HB3 H 1 1.697 0.02 . 2 . . . . . . . . 7063 1 706 . 1 1 55 55 LEU HG H 1 1.613 0.02 . 1 . . . . . . . . 7063 1 707 . 1 1 55 55 LEU HD11 H 1 1.137 0.02 . 1 . . . . . . . . 7063 1 708 . 1 1 55 55 LEU HD12 H 1 1.137 0.02 . 1 . . . . . . . . 7063 1 709 . 1 1 55 55 LEU HD13 H 1 1.137 0.02 . 1 . . . . . . . . 7063 1 710 . 1 1 55 55 LEU HD21 H 1 0.834 0.02 . 1 . . . . . . . . 7063 1 711 . 1 1 55 55 LEU HD22 H 1 0.834 0.02 . 1 . . . . . . . . 7063 1 712 . 1 1 55 55 LEU HD23 H 1 0.834 0.02 . 1 . . . . . . . . 7063 1 713 . 1 1 55 55 LEU C C 13 176.05 0.015 . 1 . . . . . . . . 7063 1 714 . 1 1 55 55 LEU CA C 13 54.24 0.015 . 1 . . . . . . . . 7063 1 715 . 1 1 55 55 LEU CB C 13 41.97 0.015 . 1 . . . . . . . . 7063 1 716 . 1 1 55 55 LEU CG C 13 27.48 0.015 . 1 . . . . . . . . 7063 1 717 . 1 1 55 55 LEU CD1 C 13 26.94 0.015 . 1 . . . . . . . . 7063 1 718 . 1 1 55 55 LEU CD2 C 13 22.55 0.015 . 1 . . . . . . . . 7063 1 719 . 1 1 55 55 LEU N N 15 120.20 0.015 . 1 . . . . . . . . 7063 1 720 . 1 1 56 56 LYS H H 1 7.655 0.02 . 1 . . . . . . . . 7063 1 721 . 1 1 56 56 LYS HA H 1 3.723 0.02 . 1 . . . . . . . . 7063 1 722 . 1 1 56 56 LYS HB2 H 1 2.134 0.02 . 2 . . . . . . . . 7063 1 723 . 1 1 56 56 LYS HB3 H 1 1.942 0.02 . 2 . . . . . . . . 7063 1 724 . 1 1 56 56 LYS HG2 H 1 1.536 0.02 . 2 . . . . . . . . 7063 1 725 . 1 1 56 56 LYS HG3 H 1 1.400 0.02 . 2 . . . . . . . . 7063 1 726 . 1 1 56 56 LYS HD2 H 1 1.806 0.02 . 1 . . . . . . . . 7063 1 727 . 1 1 56 56 LYS HD3 H 1 1.806 0.02 . 1 . . . . . . . . 7063 1 728 . 1 1 56 56 LYS HE2 H 1 3.073 0.02 . 1 . . . . . . . . 7063 1 729 . 1 1 56 56 LYS HE3 H 1 3.073 0.02 . 1 . . . . . . . . 7063 1 730 . 1 1 56 56 LYS C C 13 178.58 0.015 . 1 . . . . . . . . 7063 1 731 . 1 1 56 56 LYS CA C 13 61.08 0.015 . 1 . . . . . . . . 7063 1 732 . 1 1 56 56 LYS CB C 13 33.71 0.015 . 1 . . . . . . . . 7063 1 733 . 1 1 56 56 LYS CG C 13 24.46 0.015 . 1 . . . . . . . . 7063 1 734 . 1 1 56 56 LYS CD C 13 29.68 0.015 . 1 . . . . . . . . 7063 1 735 . 1 1 56 56 LYS CE C 13 41.96 0.015 . 1 . . . . . . . . 7063 1 736 . 1 1 56 56 LYS N N 15 120.80 0.015 . 1 . . . . . . . . 7063 1 737 . 1 1 57 57 ASP H H 1 8.757 0.02 . 1 . . . . . . . . 7063 1 738 . 1 1 57 57 ASP HA H 1 4.464 0.02 . 1 . . . . . . . . 7063 1 739 . 1 1 57 57 ASP HB2 H 1 2.691 0.02 . 1 . . . . . . . . 7063 1 740 . 1 1 57 57 ASP HB3 H 1 2.691 0.02 . 1 . . . . . . . . 7063 1 741 . 1 1 57 57 ASP C C 13 179.43 0.015 . 1 . . . . . . . . 7063 1 742 . 1 1 57 57 ASP CA C 13 57.64 0.015 . 1 . . . . . . . . 7063 1 743 . 1 1 57 57 ASP CB C 13 39.83 0.015 . 1 . . . . . . . . 7063 1 744 . 1 1 57 57 ASP N N 15 119.02 0.015 . 1 . . . . . . . . 7063 1 745 . 1 1 58 58 ARG H H 1 8.469 0.02 . 1 . . . . . . . . 7063 1 746 . 1 1 58 58 ARG HA H 1 4.020 0.02 . 1 . . . . . . . . 7063 1 747 . 1 1 58 58 ARG HB2 H 1 1.788 0.02 . 2 . . . . . . . . 7063 1 748 . 1 1 58 58 ARG HB3 H 1 1.590 0.02 . 2 . . . . . . . . 7063 1 749 . 1 1 58 58 ARG HG2 H 1 1.684 0.02 . 2 . . . . . . . . 7063 1 750 . 1 1 58 58 ARG HG3 H 1 1.486 0.02 . 2 . . . . . . . . 7063 1 751 . 1 1 58 58 ARG HD2 H 1 3.238 0.02 . 2 . . . . . . . . 7063 1 752 . 1 1 58 58 ARG HD3 H 1 3.121 0.02 . 2 . . . . . . . . 7063 1 753 . 1 1 58 58 ARG C C 13 178.72 0.015 . 1 . . . . . . . . 7063 1 754 . 1 1 58 58 ARG CA C 13 59.14 0.015 . 1 . . . . . . . . 7063 1 755 . 1 1 58 58 ARG CB C 13 30.17 0.015 . 1 . . . . . . . . 7063 1 756 . 1 1 58 58 ARG CG C 13 27.67 0.015 . 1 . . . . . . . . 7063 1 757 . 1 1 58 58 ARG CD C 13 43.43 0.015 . 1 . . . . . . . . 7063 1 758 . 1 1 58 58 ARG N N 15 123.28 0.015 . 1 . . . . . . . . 7063 1 759 . 1 1 58 58 ARG NE N 15 83.68 0.015 . 1 . . . . . . . . 7063 1 760 . 1 1 58 58 ARG HE H 1 7.154 0.02 . 1 . . . . . . . . 7063 1 761 . 1 1 59 59 SER H H 1 8.601 0.02 . 1 . . . . . . . . 7063 1 762 . 1 1 59 59 SER HA H 1 3.895 0.02 . 1 . . . . . . . . 7063 1 763 . 1 1 59 59 SER HB2 H 1 4.011 0.02 . 2 . . . . . . . . 7063 1 764 . 1 1 59 59 SER HB3 H 1 3.598 0.02 . 2 . . . . . . . . 7063 1 765 . 1 1 59 59 SER C C 13 177.67 0.015 . 1 . . . . . . . . 7063 1 766 . 1 1 59 59 SER CA C 13 60.88 0.015 . 1 . . . . . . . . 7063 1 767 . 1 1 59 59 SER CB C 13 63.03 0.015 . 1 . . . . . . . . 7063 1 768 . 1 1 59 59 SER N N 15 110.24 0.015 . 1 . . . . . . . . 7063 1 769 . 1 1 60 60 SER H H 1 8.091 0.02 . 1 . . . . . . . . 7063 1 770 . 1 1 60 60 SER HA H 1 4.431 0.02 . 1 . . . . . . . . 7063 1 771 . 1 1 60 60 SER HB2 H 1 4.255 0.02 . 2 . . . . . . . . 7063 1 772 . 1 1 60 60 SER HB3 H 1 4.065 0.02 . 2 . . . . . . . . 7063 1 773 . 1 1 60 60 SER C C 13 175.61 0.015 . 1 . . . . . . . . 7063 1 774 . 1 1 60 60 SER CA C 13 61.65 0.015 . 1 . . . . . . . . 7063 1 775 . 1 1 60 60 SER CB C 13 62.80 0.015 . 1 . . . . . . . . 7063 1 776 . 1 1 60 60 SER N N 15 113.83 0.015 . 1 . . . . . . . . 7063 1 777 . 1 1 61 61 SER H H 1 7.238 0.02 . 1 . . . . . . . . 7063 1 778 . 1 1 61 61 SER HA H 1 4.458 0.02 . 1 . . . . . . . . 7063 1 779 . 1 1 61 61 SER HB2 H 1 3.947 0.02 . 1 . . . . . . . . 7063 1 780 . 1 1 61 61 SER HB3 H 1 3.947 0.02 . 1 . . . . . . . . 7063 1 781 . 1 1 61 61 SER C C 13 174.15 0.015 . 1 . . . . . . . . 7063 1 782 . 1 1 61 61 SER CA C 13 59.73 0.015 . 1 . . . . . . . . 7063 1 783 . 1 1 61 61 SER CB C 13 63.43 0.015 . 1 . . . . . . . . 7063 1 784 . 1 1 61 61 SER N N 15 114.41 0.015 . 1 . . . . . . . . 7063 1 785 . 1 1 62 62 LEU H H 1 8.111 0.02 . 1 . . . . . . . . 7063 1 786 . 1 1 62 62 LEU HA H 1 4.495 0.02 . 1 . . . . . . . . 7063 1 787 . 1 1 62 62 LEU HB2 H 1 2.172 0.02 . 2 . . . . . . . . 7063 1 788 . 1 1 62 62 LEU HB3 H 1 1.719 0.02 . 2 . . . . . . . . 7063 1 789 . 1 1 62 62 LEU HG H 1 1.694 0.02 . 1 . . . . . . . . 7063 1 790 . 1 1 62 62 LEU HD11 H 1 0.531 0.02 . 1 . . . . . . . . 7063 1 791 . 1 1 62 62 LEU HD12 H 1 0.531 0.02 . 1 . . . . . . . . 7063 1 792 . 1 1 62 62 LEU HD13 H 1 0.531 0.02 . 1 . . . . . . . . 7063 1 793 . 1 1 62 62 LEU HD21 H 1 0.765 0.02 . 1 . . . . . . . . 7063 1 794 . 1 1 62 62 LEU HD22 H 1 0.765 0.02 . 1 . . . . . . . . 7063 1 795 . 1 1 62 62 LEU HD23 H 1 0.765 0.02 . 1 . . . . . . . . 7063 1 796 . 1 1 62 62 LEU C C 13 177.462 0.015 . 1 . . . . . . . . 7063 1 797 . 1 1 62 62 LEU CA C 13 55.78 0.015 . 1 . . . . . . . . 7063 1 798 . 1 1 62 62 LEU CB C 13 44.24 0.015 . 1 . . . . . . . . 7063 1 799 . 1 1 62 62 LEU CG C 13 26.43 0.015 . 1 . . . . . . . . 7063 1 800 . 1 1 62 62 LEU CD1 C 13 26.35 0.015 . 1 . . . . . . . . 7063 1 801 . 1 1 62 62 LEU CD2 C 13 22.51 0.015 . 1 . . . . . . . . 7063 1 802 . 1 1 62 62 LEU N N 15 121.53 0.015 . 1 . . . . . . . . 7063 1 803 . 1 1 63 63 ALA H H 1 8.370 0.02 . 1 . . . . . . . . 7063 1 804 . 1 1 63 63 ALA HA H 1 4.494 0.02 . 1 . . . . . . . . 7063 1 805 . 1 1 63 63 ALA HB1 H 1 1.364 0.02 . 1 . . . . . . . . 7063 1 806 . 1 1 63 63 ALA HB2 H 1 1.364 0.02 . 1 . . . . . . . . 7063 1 807 . 1 1 63 63 ALA HB3 H 1 1.364 0.02 . 1 . . . . . . . . 7063 1 808 . 1 1 63 63 ALA C C 13 175.63 0.015 . 1 . . . . . . . . 7063 1 809 . 1 1 63 63 ALA CA C 13 52.11 0.015 . 1 . . . . . . . . 7063 1 810 . 1 1 63 63 ALA CB C 13 22.32 0.015 . 1 . . . . . . . . 7063 1 811 . 1 1 63 63 ALA N N 15 120.51 0.015 . 1 . . . . . . . . 7063 1 812 . 1 1 64 64 ASP H H 1 8.654 0.02 . 1 . . . . . . . . 7063 1 813 . 1 1 64 64 ASP HA H 1 5.194 0.02 . 1 . . . . . . . . 7063 1 814 . 1 1 64 64 ASP HB2 H 1 2.588 0.02 . 2 . . . . . . . . 7063 1 815 . 1 1 64 64 ASP HB3 H 1 2.448 0.02 . 2 . . . . . . . . 7063 1 816 . 1 1 64 64 ASP C C 13 174.11 0.015 . 1 . . . . . . . . 7063 1 817 . 1 1 64 64 ASP CA C 13 51.63 0.015 . 1 . . . . . . . . 7063 1 818 . 1 1 64 64 ASP CB C 13 40.38 0.015 . 1 . . . . . . . . 7063 1 819 . 1 1 64 64 ASP N N 15 121.96 0.015 . 1 . . . . . . . . 7063 1 820 . 1 1 65 65 PRO HA H 1 3.834 0.02 . 1 . . . . . . . . 7063 1 821 . 1 1 65 65 PRO HB2 H 1 1.859 0.02 . 1 . . . . . . . . 7063 1 822 . 1 1 65 65 PRO HB3 H 1 1.859 0.02 . 1 . . . . . . . . 7063 1 823 . 1 1 65 65 PRO HG2 H 1 1.982 0.02 . 2 . . . . . . . . 7063 1 824 . 1 1 65 65 PRO HG3 H 1 1.809 0.02 . 2 . . . . . . . . 7063 1 825 . 1 1 65 65 PRO HD2 H 1 3.975 0.02 . 2 . . . . . . . . 7063 1 826 . 1 1 65 65 PRO HD3 H 1 3.674 0.02 . 2 . . . . . . . . 7063 1 827 . 1 1 65 65 PRO C C 13 176.91 0.015 . 1 . . . . . . . . 7063 1 828 . 1 1 65 65 PRO CA C 13 62.22 0.015 . 1 . . . . . . . . 7063 1 829 . 1 1 65 65 PRO CB C 13 32.64 0.015 . 1 . . . . . . . . 7063 1 830 . 1 1 65 65 PRO CG C 13 26.94 0.015 . 1 . . . . . . . . 7063 1 831 . 1 1 65 65 PRO CD C 13 50.84 0.015 . 1 . . . . . . . . 7063 1 832 . 1 1 66 66 ALA H H 1 8.454 0.02 . 1 . . . . . . . . 7063 1 833 . 1 1 66 66 ALA HA H 1 3.921 0.02 . 1 . . . . . . . . 7063 1 834 . 1 1 66 66 ALA HB1 H 1 1.052 0.02 . 1 . . . . . . . . 7063 1 835 . 1 1 66 66 ALA HB2 H 1 1.052 0.02 . 1 . . . . . . . . 7063 1 836 . 1 1 66 66 ALA HB3 H 1 1.052 0.02 . 1 . . . . . . . . 7063 1 837 . 1 1 66 66 ALA C C 13 177.81 0.015 . 1 . . . . . . . . 7063 1 838 . 1 1 66 66 ALA CA C 13 53.60 0.015 . 1 . . . . . . . . 7063 1 839 . 1 1 66 66 ALA CB C 13 20.59 0.015 . 1 . . . . . . . . 7063 1 840 . 1 1 66 66 ALA N N 15 124.53 0.015 . 1 . . . . . . . . 7063 1 841 . 1 1 67 67 SER H H 1 7.521 0.02 . 1 . . . . . . . . 7063 1 842 . 1 1 67 67 SER HA H 1 4.236 0.02 . 1 . . . . . . . . 7063 1 843 . 1 1 67 67 SER HB2 H 1 3.767 0.02 . 2 . . . . . . . . 7063 1 844 . 1 1 67 67 SER HB3 H 1 3.624 0.02 . 2 . . . . . . . . 7063 1 845 . 1 1 67 67 SER C C 13 172.42 0.015 . 1 . . . . . . . . 7063 1 846 . 1 1 67 67 SER CA C 13 56.49 0.015 . 1 . . . . . . . . 7063 1 847 . 1 1 67 67 SER CB C 13 63.86 0.015 . 1 . . . . . . . . 7063 1 848 . 1 1 67 67 SER N N 15 108.24 0.015 . 1 . . . . . . . . 7063 1 849 . 1 1 68 68 ASP H H 1 8.346 0.02 . 1 . . . . . . . . 7063 1 850 . 1 1 68 68 ASP HA H 1 4.356 0.02 . 1 . . . . . . . . 7063 1 851 . 1 1 68 68 ASP HB2 H 1 2.676 0.02 . 2 . . . . . . . . 7063 1 852 . 1 1 68 68 ASP HB3 H 1 2.596 0.02 . 2 . . . . . . . . 7063 1 853 . 1 1 68 68 ASP C C 13 176.30 0.015 . 1 . . . . . . . . 7063 1 854 . 1 1 68 68 ASP CA C 13 57.42 0.015 . 1 . . . . . . . . 7063 1 855 . 1 1 68 68 ASP CB C 13 40.78 0.015 . 1 . . . . . . . . 7063 1 856 . 1 1 68 68 ASP N N 15 117.83 0.015 . 1 . . . . . . . . 7063 1 857 . 1 1 69 69 ILE H H 1 7.537 0.02 . 1 . . . . . . . . 7063 1 858 . 1 1 69 69 ILE HA H 1 4.885 0.02 . 1 . . . . . . . . 7063 1 859 . 1 1 69 69 ILE HB H 1 1.640 0.02 . 1 . . . . . . . . 7063 1 860 . 1 1 69 69 ILE HG12 H 1 1.068 0.02 . 2 . . . . . . . . 7063 1 861 . 1 1 69 69 ILE HG13 H 1 0.810 0.02 . 2 . . . . . . . . 7063 1 862 . 1 1 69 69 ILE HG21 H 1 0.635 0.02 . 1 . . . . . . . . 7063 1 863 . 1 1 69 69 ILE HG22 H 1 0.635 0.02 . 1 . . . . . . . . 7063 1 864 . 1 1 69 69 ILE HG23 H 1 0.635 0.02 . 1 . . . . . . . . 7063 1 865 . 1 1 69 69 ILE HD11 H 1 0.027 0.02 . 1 . . . . . . . . 7063 1 866 . 1 1 69 69 ILE HD12 H 1 0.027 0.02 . 1 . . . . . . . . 7063 1 867 . 1 1 69 69 ILE HD13 H 1 0.027 0.02 . 1 . . . . . . . . 7063 1 868 . 1 1 69 69 ILE C C 13 174.77 0.015 . 1 . . . . . . . . 7063 1 869 . 1 1 69 69 ILE CA C 13 59.77 0.015 . 1 . . . . . . . . 7063 1 870 . 1 1 69 69 ILE CB C 13 44.35 0.015 . 1 . . . . . . . . 7063 1 871 . 1 1 69 69 ILE CG1 C 13 25.89 0.015 . 1 . . . . . . . . 7063 1 872 . 1 1 69 69 ILE CG2 C 13 18.42 0.015 . 1 . . . . . . . . 7063 1 873 . 1 1 69 69 ILE CD1 C 13 13.54 0.015 . 1 . . . . . . . . 7063 1 874 . 1 1 69 69 ILE N N 15 108.25 0.015 . 1 . . . . . . . . 7063 1 875 . 1 1 70 70 LYS H H 1 8.423 0.02 . 1 . . . . . . . . 7063 1 876 . 1 1 70 70 LYS HA H 1 4.723 0.02 . 1 . . . . . . . . 7063 1 877 . 1 1 70 70 LYS HB2 H 1 1.823 0.02 . 2 . . . . . . . . 7063 1 878 . 1 1 70 70 LYS HB3 H 1 1.591 0.02 . 2 . . . . . . . . 7063 1 879 . 1 1 70 70 LYS HG2 H 1 1.619 0.02 . 2 . . . . . . . . 7063 1 880 . 1 1 70 70 LYS HG3 H 1 1.410 0.02 . 2 . . . . . . . . 7063 1 881 . 1 1 70 70 LYS HD2 H 1 1.872 0.02 . 2 . . . . . . . . 7063 1 882 . 1 1 70 70 LYS HD3 H 1 1.682 0.02 . 2 . . . . . . . . 7063 1 883 . 1 1 70 70 LYS HE2 H 1 2.920 0.02 . 2 . . . . . . . . 7063 1 884 . 1 1 70 70 LYS HE3 H 1 2.808 0.02 . 2 . . . . . . . . 7063 1 885 . 1 1 70 70 LYS C C 13 175.20 0.015 . 1 . . . . . . . . 7063 1 886 . 1 1 70 70 LYS CA C 13 55.48 0.015 . 1 . . . . . . . . 7063 1 887 . 1 1 70 70 LYS CB C 13 35.08 0.015 . 1 . . . . . . . . 7063 1 888 . 1 1 70 70 LYS CG C 13 26.27 0.015 . 1 . . . . . . . . 7063 1 889 . 1 1 70 70 LYS CD C 13 28.37 0.015 . 1 . . . . . . . . 7063 1 890 . 1 1 70 70 LYS CE C 13 42.52 0.015 . 1 . . . . . . . . 7063 1 891 . 1 1 70 70 LYS N N 15 122.64 0.015 . 1 . . . . . . . . 7063 1 892 . 1 1 71 71 THR H H 1 8.546 0.02 . 1 . . . . . . . . 7063 1 893 . 1 1 71 71 THR HA H 1 5.381 0.02 . 1 . . . . . . . . 7063 1 894 . 1 1 71 71 THR HB H 1 3.933 0.02 . 1 . . . . . . . . 7063 1 895 . 1 1 71 71 THR HG21 H 1 0.802 0.02 . 1 . . . . . . . . 7063 1 896 . 1 1 71 71 THR HG22 H 1 0.802 0.02 . 1 . . . . . . . . 7063 1 897 . 1 1 71 71 THR HG23 H 1 0.802 0.02 . 1 . . . . . . . . 7063 1 898 . 1 1 71 71 THR C C 13 175.25 0.015 . 1 . . . . . . . . 7063 1 899 . 1 1 71 71 THR CA C 13 58.68 0.015 . 1 . . . . . . . . 7063 1 900 . 1 1 71 71 THR CB C 13 70.21 0.015 . 1 . . . . . . . . 7063 1 901 . 1 1 71 71 THR CG2 C 13 21.53 0.015 . 1 . . . . . . . . 7063 1 902 . 1 1 71 71 THR N N 15 116.87 0.015 . 1 . . . . . . . . 7063 1 903 . 1 1 72 72 CYS H H 1 8.265 0.02 . 1 . . . . . . . . 7063 1 904 . 1 1 72 72 CYS HA H 1 4.031 0.02 . 1 . . . . . . . . 7063 1 905 . 1 1 72 72 CYS HB2 H 1 2.427 0.02 . 2 . . . . . . . . 7063 1 906 . 1 1 72 72 CYS HB3 H 1 -0.312 0.02 . 2 . . . . . . . . 7063 1 907 . 1 1 72 72 CYS C C 13 174.24 0.015 . 1 . . . . . . . . 7063 1 908 . 1 1 72 72 CYS CA C 13 59.25 0.015 . 1 . . . . . . . . 7063 1 909 . 1 1 72 72 CYS CB C 13 26.17 0.015 . 1 . . . . . . . . 7063 1 910 . 1 1 72 72 CYS N N 15 118.74 0.015 . 1 . . . . . . . . 7063 1 911 . 1 1 73 73 ASP H H 1 9.134 0.02 . 1 . . . . . . . . 7063 1 912 . 1 1 73 73 ASP HA H 1 4.611 0.02 . 1 . . . . . . . . 7063 1 913 . 1 1 73 73 ASP HB2 H 1 2.812 0.02 . 2 . . . . . . . . 7063 1 914 . 1 1 73 73 ASP HB3 H 1 2.799 0.02 . 2 . . . . . . . . 7063 1 915 . 1 1 73 73 ASP C C 13 176.38 0.015 . 1 . . . . . . . . 7063 1 916 . 1 1 73 73 ASP CA C 13 56.40 0.015 . 1 . . . . . . . . 7063 1 917 . 1 1 73 73 ASP CB C 13 38.87 0.015 . 1 . . . . . . . . 7063 1 918 . 1 1 73 73 ASP N N 15 131.03 0.015 . 1 . . . . . . . . 7063 1 919 . 1 1 74 74 HIS H H 1 7.785 0.02 . 1 . . . . . . . . 7063 1 920 . 1 1 74 74 HIS HA H 1 4.657 0.02 . 1 . . . . . . . . 7063 1 921 . 1 1 74 74 HIS HB2 H 1 3.180 0.02 . 2 . . . . . . . . 7063 1 922 . 1 1 74 74 HIS HB3 H 1 2.715 0.02 . 2 . . . . . . . . 7063 1 923 . 1 1 74 74 HIS C C 13 177.45 0.015 . 1 . . . . . . . . 7063 1 924 . 1 1 74 74 HIS CA C 13 55.37 0.015 . 1 . . . . . . . . 7063 1 925 . 1 1 74 74 HIS CB C 13 31.43 0.015 . 1 . . . . . . . . 7063 1 926 . 1 1 74 74 HIS N N 15 116.04 0.015 . 1 . . . . . . . . 7063 1 927 . 1 1 74 74 HIS CD2 C 13 117.3 0.015 . 1 . . . . . . . . 7063 1 928 . 1 1 74 74 HIS HD2 H 1 6.730 0.02 . 1 . . . . . . . . 7063 1 929 . 1 1 74 74 HIS CE1 C 13 138.2 0.015 . 1 . . . . . . . . 7063 1 930 . 1 1 74 74 HIS HE1 H 1 7.893 0.02 . 1 . . . . . . . . 7063 1 931 . 1 1 75 75 TYR H H 1 6.938 0.02 . 1 . . . . . . . . 7063 1 932 . 1 1 75 75 TYR HA H 1 3.934 0.02 . 1 . . . . . . . . 7063 1 933 . 1 1 75 75 TYR HB2 H 1 2.703 0.02 . 2 . . . . . . . . 7063 1 934 . 1 1 75 75 TYR HB3 H 1 2.321 0.02 . 2 . . . . . . . . 7063 1 935 . 1 1 75 75 TYR C C 13 177.29 0.015 . 1 . . . . . . . . 7063 1 936 . 1 1 75 75 TYR CA C 13 50.99 0.015 . 1 . . . . . . . . 7063 1 937 . 1 1 75 75 TYR CB C 13 33.26 0.015 . 1 . . . . . . . . 7063 1 938 . 1 1 75 75 TYR N N 15 121.81 0.015 . 1 . . . . . . . . 7063 1 939 . 1 1 75 75 TYR CD1 C 13 130.6 0.015 . 1 . . . . . . . . 7063 1 940 . 1 1 75 75 TYR CD2 C 13 130.6 0.015 . 1 . . . . . . . . 7063 1 941 . 1 1 75 75 TYR CE1 C 13 119.9 0.015 . 1 . . . . . . . . 7063 1 942 . 1 1 75 75 TYR CE2 C 13 119.9 0.015 . 1 . . . . . . . . 7063 1 943 . 1 1 75 75 TYR HD1 H 1 5.97 0.02 . 1 . . . . . . . . 7063 1 944 . 1 1 75 75 TYR HD2 H 1 5.97 0.02 . 1 . . . . . . . . 7063 1 945 . 1 1 75 75 TYR HE1 H 1 6.43 0.02 . 1 . . . . . . . . 7063 1 946 . 1 1 75 75 TYR HE2 H 1 6.43 0.02 . 1 . . . . . . . . 7063 1 947 . 1 1 76 76 GLN H H 1 7.352 0.02 . 1 . . . . . . . . 7063 1 948 . 1 1 76 76 GLN HA H 1 2.210 0.02 . 1 . . . . . . . . 7063 1 949 . 1 1 76 76 GLN HB2 H 1 1.880 0.02 . 2 . . . . . . . . 7063 1 950 . 1 1 76 76 GLN HB3 H 1 1.732 0.02 . 2 . . . . . . . . 7063 1 951 . 1 1 76 76 GLN HG2 H 1 2.196 0.02 . 2 . . . . . . . . 7063 1 952 . 1 1 76 76 GLN HG3 H 1 2.076 0.02 . 2 . . . . . . . . 7063 1 953 . 1 1 76 76 GLN HE21 H 1 7.575 0.02 . 1 . . . . . . . . 7063 1 954 . 1 1 76 76 GLN HE22 H 1 6.869 0.02 . 1 . . . . . . . . 7063 1 955 . 1 1 76 76 GLN C C 13 175.84 0.015 . 1 . . . . . . . . 7063 1 956 . 1 1 76 76 GLN CA C 13 59.05 0.015 . 1 . . . . . . . . 7063 1 957 . 1 1 76 76 GLN CB C 13 29.29 0.015 . 1 . . . . . . . . 7063 1 958 . 1 1 76 76 GLN CG C 13 34.14 0.015 . 1 . . . . . . . . 7063 1 959 . 1 1 76 76 GLN N N 15 118.21 0.015 . 1 . . . . . . . . 7063 1 960 . 1 1 76 76 GLN NE2 N 15 112.99 0.015 . 1 . . . . . . . . 7063 1 961 . 1 1 77 77 ASN H H 1 8.165 0.02 . 1 . . . . . . . . 7063 1 962 . 1 1 77 77 ASN HA H 1 4.669 0.02 . 1 . . . . . . . . 7063 1 963 . 1 1 77 77 ASN HB2 H 1 2.672 0.02 . 2 . . . . . . . . 7063 1 964 . 1 1 77 77 ASN HB3 H 1 1.923 0.02 . 2 . . . . . . . . 7063 1 965 . 1 1 77 77 ASN HD21 H 1 6.888 0.02 . 2 . . . . . . . . 7063 1 966 . 1 1 77 77 ASN HD22 H 1 4.608 0.02 . 2 . . . . . . . . 7063 1 967 . 1 1 77 77 ASN C C 13 174.89 0.015 . 1 . . . . . . . . 7063 1 968 . 1 1 77 77 ASN CA C 13 53.69 0.015 . 1 . . . . . . . . 7063 1 969 . 1 1 77 77 ASN CB C 13 37.46 0.015 . 1 . . . . . . . . 7063 1 970 . 1 1 77 77 ASN N N 15 111.84 0.015 . 1 . . . . . . . . 7063 1 971 . 1 1 77 77 ASN ND2 N 15 111.32 0.015 . 1 . . . . . . . . 7063 1 972 . 1 1 78 78 PHE H H 1 8.066 0.02 . 1 . . . . . . . . 7063 1 973 . 1 1 78 78 PHE HA H 1 5.159 0.02 . 1 . . . . . . . . 7063 1 974 . 1 1 78 78 PHE HB2 H 1 3.911 0.02 . 2 . . . . . . . . 7063 1 975 . 1 1 78 78 PHE HB3 H 1 3.172 0.02 . 2 . . . . . . . . 7063 1 976 . 1 1 78 78 PHE C C 13 173.95 0.015 . 1 . . . . . . . . 7063 1 977 . 1 1 78 78 PHE CA C 13 52.12 0.015 . 1 . . . . . . . . 7063 1 978 . 1 1 78 78 PHE CB C 13 35.90 0.015 . 1 . . . . . . . . 7063 1 979 . 1 1 78 78 PHE HD1 H 1 7.07 0.02 . 1 . . . . . . . . 7063 1 980 . 1 1 78 78 PHE HD2 H 1 7.07 0.02 . 1 . . . . . . . . 7063 1 981 . 1 1 78 78 PHE HE1 H 1 7.27 0.02 . 1 . . . . . . . . 7063 1 982 . 1 1 78 78 PHE HE2 H 1 7.27 0.02 . 1 . . . . . . . . 7063 1 983 . 1 1 78 78 PHE N N 15 122.37 0.015 . 1 . . . . . . . . 7063 1 984 . 1 1 79 79 PRO HA H 1 4.717 0.02 . 1 . . . . . . . . 7063 1 985 . 1 1 79 79 PRO HB2 H 1 2.560 0.02 . 2 . . . . . . . . 7063 1 986 . 1 1 79 79 PRO HB3 H 1 2.006 0.02 . 2 . . . . . . . . 7063 1 987 . 1 1 79 79 PRO HG2 H 1 1.982 0.02 . 2 . . . . . . . . 7063 1 988 . 1 1 79 79 PRO HG3 H 1 1.765 0.02 . 2 . . . . . . . . 7063 1 989 . 1 1 79 79 PRO HD2 H 1 3.027 0.02 . 2 . . . . . . . . 7063 1 990 . 1 1 79 79 PRO HD3 H 1 2.936 0.02 . 2 . . . . . . . . 7063 1 991 . 1 1 79 79 PRO C C 13 174.86 0.015 . 1 . . . . . . . . 7063 1 992 . 1 1 79 79 PRO CA C 13 62.87 0.015 . 1 . . . . . . . . 7063 1 993 . 1 1 79 79 PRO CB C 13 32.94 0.015 . 1 . . . . . . . . 7063 1 994 . 1 1 79 79 PRO CG C 13 27.92 0.015 . 1 . . . . . . . . 7063 1 995 . 1 1 79 79 PRO CD C 13 50.01 0.015 . 1 . . . . . . . . 7063 1 996 . 1 1 80 80 LEU H H 1 8.267 0.02 . 1 . . . . . . . . 7063 1 997 . 1 1 80 80 LEU HA H 1 4.111 0.02 . 1 . . . . . . . . 7063 1 998 . 1 1 80 80 LEU HB2 H 1 1.518 0.02 . 2 . . . . . . . . 7063 1 999 . 1 1 80 80 LEU HB3 H 1 0.957 0.02 . 2 . . . . . . . . 7063 1 1000 . 1 1 80 80 LEU HG H 1 1.414 0.02 . 1 . . . . . . . . 7063 1 1001 . 1 1 80 80 LEU HD11 H 1 0.693 0.02 . 1 . . . . . . . . 7063 1 1002 . 1 1 80 80 LEU HD12 H 1 0.693 0.02 . 1 . . . . . . . . 7063 1 1003 . 1 1 80 80 LEU HD13 H 1 0.693 0.02 . 1 . . . . . . . . 7063 1 1004 . 1 1 80 80 LEU HD21 H 1 0.137 0.02 . 1 . . . . . . . . 7063 1 1005 . 1 1 80 80 LEU HD22 H 1 0.137 0.02 . 1 . . . . . . . . 7063 1 1006 . 1 1 80 80 LEU HD23 H 1 0.137 0.02 . 1 . . . . . . . . 7063 1 1007 . 1 1 80 80 LEU C C 13 177.25 0.015 . 1 . . . . . . . . 7063 1 1008 . 1 1 80 80 LEU CA C 13 54.35 0.015 . 1 . . . . . . . . 7063 1 1009 . 1 1 80 80 LEU CB C 13 42.58 0.015 . 1 . . . . . . . . 7063 1 1010 . 1 1 80 80 LEU CG C 13 26.89 0.015 . 1 . . . . . . . . 7063 1 1011 . 1 1 80 80 LEU CD1 C 13 25.01 0.015 . 1 . . . . . . . . 7063 1 1012 . 1 1 80 80 LEU CD2 C 13 21.53 0.015 . 1 . . . . . . . . 7063 1 1013 . 1 1 80 80 LEU N N 15 117.52 0.015 . 1 . . . . . . . . 7063 1 1014 . 1 1 81 81 TYR H H 1 8.683 0.02 . 1 . . . . . . . . 7063 1 1015 . 1 1 81 81 TYR HA H 1 4.302 0.02 . 1 . . . . . . . . 7063 1 1016 . 1 1 81 81 TYR HB2 H 1 2.805 0.02 . 2 . . . . . . . . 7063 1 1017 . 1 1 81 81 TYR HB3 H 1 2.443 0.02 . 2 . . . . . . . . 7063 1 1018 . 1 1 81 81 TYR C C 13 175.87 0.015 . 1 . . . . . . . . 7063 1 1019 . 1 1 81 81 TYR CA C 13 57.45 0.015 . 1 . . . . . . . . 7063 1 1020 . 1 1 81 81 TYR CB C 13 37.74 0.015 . 1 . . . . . . . . 7063 1 1021 . 1 1 81 81 TYR N N 15 123.40 0.015 . 1 . . . . . . . . 7063 1 1022 . 1 1 81 81 TYR CD1 C 13 132.8 0.015 . 1 . . . . . . . . 7063 1 1023 . 1 1 81 81 TYR CD2 C 13 132.8 0.015 . 1 . . . . . . . . 7063 1 1024 . 1 1 81 81 TYR CE1 C 13 118.2 0.015 . 1 . . . . . . . . 7063 1 1025 . 1 1 81 81 TYR CE2 C 13 118.2 0.015 . 1 . . . . . . . . 7063 1 1026 . 1 1 81 81 TYR HD1 H 1 6.40 0.02 . 1 . . . . . . . . 7063 1 1027 . 1 1 81 81 TYR HD2 H 1 6.40 0.02 . 1 . . . . . . . . 7063 1 1028 . 1 1 81 81 TYR HE1 H 1 6.50 0.02 . 1 . . . . . . . . 7063 1 1029 . 1 1 81 81 TYR HE2 H 1 6.50 0.02 . 1 . . . . . . . . 7063 1 1030 . 1 1 82 82 LEU H H 1 8.070 0.02 . 1 . . . . . . . . 7063 1 1031 . 1 1 82 82 LEU HA H 1 3.833 0.02 . 1 . . . . . . . . 7063 1 1032 . 1 1 82 82 LEU HB2 H 1 1.365 0.02 . 2 . . . . . . . . 7063 1 1033 . 1 1 82 82 LEU HB3 H 1 1.269 0.02 . 2 . . . . . . . . 7063 1 1034 . 1 1 82 82 LEU HG H 1 1.234 0.02 . 1 . . . . . . . . 7063 1 1035 . 1 1 82 82 LEU HD11 H 1 0.733 0.02 . 1 . . . . . . . . 7063 1 1036 . 1 1 82 82 LEU HD12 H 1 0.733 0.02 . 1 . . . . . . . . 7063 1 1037 . 1 1 82 82 LEU HD13 H 1 0.733 0.02 . 1 . . . . . . . . 7063 1 1038 . 1 1 82 82 LEU HD21 H 1 0.459 0.02 . 1 . . . . . . . . 7063 1 1039 . 1 1 82 82 LEU HD22 H 1 0.459 0.02 . 1 . . . . . . . . 7063 1 1040 . 1 1 82 82 LEU HD23 H 1 0.459 0.02 . 1 . . . . . . . . 7063 1 1041 . 1 1 82 82 LEU C C 13 177.27 0.015 . 1 . . . . . . . . 7063 1 1042 . 1 1 82 82 LEU CA C 13 54.95 0.015 . 1 . . . . . . . . 7063 1 1043 . 1 1 82 82 LEU CB C 13 40.91 0.015 . 1 . . . . . . . . 7063 1 1044 . 1 1 82 82 LEU CG C 13 26.27 0.015 . 1 . . . . . . . . 7063 1 1045 . 1 1 82 82 LEU CD1 C 13 25.01 0.015 . 1 . . . . . . . . 7063 1 1046 . 1 1 82 82 LEU CD2 C 13 22.28 0.015 . 1 . . . . . . . . 7063 1 1047 . 1 1 82 82 LEU N N 15 127.87 0.015 . 1 . . . . . . . . 7063 1 1048 . 1 1 83 83 GLY H H 1 6.483 0.02 . 1 . . . . . . . . 7063 1 1049 . 1 1 83 83 GLY HA2 H 1 3.875 0.02 . 2 . . . . . . . . 7063 1 1050 . 1 1 83 83 GLY HA3 H 1 3.406 0.02 . 2 . . . . . . . . 7063 1 1051 . 1 1 83 83 GLY C C 13 173.87 0.015 . 1 . . . . . . . . 7063 1 1052 . 1 1 83 83 GLY CA C 13 45.05 0.015 . 1 . . . . . . . . 7063 1 1053 . 1 1 83 83 GLY N N 15 106.32 0.015 . 1 . . . . . . . . 7063 1 1054 . 1 1 84 84 GLY H H 1 7.796 0.02 . 1 . . . . . . . . 7063 1 1055 . 1 1 84 84 GLY HA2 H 1 4.036 0.02 . 2 . . . . . . . . 7063 1 1056 . 1 1 84 84 GLY HA3 H 1 3.885 0.02 . 2 . . . . . . . . 7063 1 1057 . 1 1 84 84 GLY C C 13 174.32 0.015 . 1 . . . . . . . . 7063 1 1058 . 1 1 84 84 GLY CA C 13 45.04 0.015 . 1 . . . . . . . . 7063 1 1059 . 1 1 84 84 GLY N N 15 107.45 0.015 . 1 . . . . . . . . 7063 1 1060 . 1 1 85 85 GLU H H 1 8.593 0.02 . 1 . . . . . . . . 7063 1 1061 . 1 1 85 85 GLU HA H 1 4.159 0.02 . 1 . . . . . . . . 7063 1 1062 . 1 1 85 85 GLU HB2 H 1 2.050 0.02 . 2 . . . . . . . . 7063 1 1063 . 1 1 85 85 GLU HB3 H 1 1.899 0.02 . 2 . . . . . . . . 7063 1 1064 . 1 1 85 85 GLU HG2 H 1 2.227 0.02 . 1 . . . . . . . . 7063 1 1065 . 1 1 85 85 GLU HG3 H 1 2.227 0.02 . 1 . . . . . . . . 7063 1 1066 . 1 1 85 85 GLU C C 13 177.09 0.015 . 1 . . . . . . . . 7063 1 1067 . 1 1 85 85 GLU CA C 13 57.53 0.015 . 1 . . . . . . . . 7063 1 1068 . 1 1 85 85 GLU CB C 13 30.23 0.015 . 1 . . . . . . . . 7063 1 1069 . 1 1 85 85 GLU CG C 13 36.35 0.015 . 1 . . . . . . . . 7063 1 1070 . 1 1 85 85 GLU N N 15 119.88 0.015 . 1 . . . . . . . . 7063 1 1071 . 1 1 86 86 THR H H 1 7.818 0.02 . 1 . . . . . . . . 7063 1 1072 . 1 1 86 86 THR HA H 1 4.167 0.02 . 1 . . . . . . . . 7063 1 1073 . 1 1 86 86 THR HB H 1 4.082 0.02 . 1 . . . . . . . . 7063 1 1074 . 1 1 86 86 THR HG21 H 1 1.068 0.02 . 1 . . . . . . . . 7063 1 1075 . 1 1 86 86 THR HG22 H 1 1.068 0.02 . 1 . . . . . . . . 7063 1 1076 . 1 1 86 86 THR HG23 H 1 1.068 0.02 . 1 . . . . . . . . 7063 1 1077 . 1 1 86 86 THR C C 13 174.05 0.015 . 1 . . . . . . . . 7063 1 1078 . 1 1 86 86 THR CA C 13 61.23 0.015 . 1 . . . . . . . . 7063 1 1079 . 1 1 86 86 THR CB C 13 69.40 0.015 . 1 . . . . . . . . 7063 1 1080 . 1 1 86 86 THR CG2 C 13 21.69 0.015 . 1 . . . . . . . . 7063 1 1081 . 1 1 86 86 THR N N 15 112.17 0.015 . 1 . . . . . . . . 7063 1 1082 . 1 1 87 87 HIS H H 1 8.638 0.02 . 1 . . . . . . . . 7063 1 1083 . 1 1 87 87 HIS HA H 1 5.025 0.02 . 1 . . . . . . . . 7063 1 1084 . 1 1 87 87 HIS HB2 H 1 3.225 0.02 . 2 . . . . . . . . 7063 1 1085 . 1 1 87 87 HIS HB3 H 1 3.055 0.02 . 2 . . . . . . . . 7063 1 1086 . 1 1 87 87 HIS C C 13 173.39 0.015 . 1 . . . . . . . . 7063 1 1087 . 1 1 87 87 HIS CA C 13 54.12 0.015 . 1 . . . . . . . . 7063 1 1088 . 1 1 87 87 HIS CB C 13 28.16 0.015 . 1 . . . . . . . . 7063 1 1089 . 1 1 87 87 HIS CD2 C 13 119.7 0.015 . 1 . . . . . . . . 7063 1 1090 . 1 1 87 87 HIS HD2 H 1 7.147 0.02 . 1 . . . . . . . . 7063 1 1091 . 1 1 87 87 HIS CE1 C 13 136.7 0.015 . 1 . . . . . . . . 7063 1 1092 . 1 1 87 87 HIS HE1 H 1 8.371 0.02 . 1 . . . . . . . . 7063 1 1093 . 1 1 87 87 HIS N N 15 121.74 0.015 . 1 . . . . . . . . 7063 1 1094 . 1 1 88 88 GLU H H 1 7.848 0.02 . 1 . . . . . . . . 7063 1 1095 . 1 1 88 88 GLU HA H 1 4.489 0.02 . 1 . . . . . . . . 7063 1 1096 . 1 1 88 88 GLU HB2 H 1 1.872 0.02 . 2 . . . . . . . . 7063 1 1097 . 1 1 88 88 GLU HB3 H 1 1.803 0.02 . 2 . . . . . . . . 7063 1 1098 . 1 1 88 88 GLU HG2 H 1 2.433 0.02 . 2 . . . . . . . . 7063 1 1099 . 1 1 88 88 GLU HG3 H 1 2.122 0.02 . 2 . . . . . . . . 7063 1 1100 . 1 1 88 88 GLU C C 13 175.60 0.015 . 1 . . . . . . . . 7063 1 1101 . 1 1 88 88 GLU CA C 13 54.85 0.015 . 1 . . . . . . . . 7063 1 1102 . 1 1 88 88 GLU CB C 13 32.93 0.015 . 1 . . . . . . . . 7063 1 1103 . 1 1 88 88 GLU CG C 13 36.84 0.015 . 1 . . . . . . . . 7063 1 1104 . 1 1 88 88 GLU N N 15 120.74 0.015 . 1 . . . . . . . . 7063 1 1105 . 1 1 89 89 HIS H H 1 8.654 0.02 . 1 . . . . . . . . 7063 1 1106 . 1 1 89 89 HIS HA H 1 5.131 0.02 . 1 . . . . . . . . 7063 1 1107 . 1 1 89 89 HIS HB2 H 1 3.333 0.02 . 2 . . . . . . . . 7063 1 1108 . 1 1 89 89 HIS HB3 H 1 3.247 0.02 . 2 . . . . . . . . 7063 1 1109 . 1 1 89 89 HIS C C 13 174.93 0.015 . 1 . . . . . . . . 7063 1 1110 . 1 1 89 89 HIS CA C 13 56.45 0.015 . 1 . . . . . . . . 7063 1 1111 . 1 1 89 89 HIS CB C 13 30.69 0.015 . 1 . . . . . . . . 7063 1 1112 . 1 1 89 89 HIS N N 15 123.99 0.015 . 1 . . . . . . . . 7063 1 1113 . 1 1 89 89 HIS CD2 C 13 121.3 0.015 . 1 . . . . . . . . 7063 1 1114 . 1 1 89 89 HIS HD2 H 1 7.442 0.02 . 1 . . . . . . . . 7063 1 1115 . 1 1 89 89 HIS CE1 C 13 136.7 0.015 . 1 . . . . . . . . 7063 1 1116 . 1 1 89 89 HIS HE1 H 1 8.752 0.02 . 1 . . . . . . . . 7063 1 1117 . 1 1 90 90 TYR H H 1 8.900 0.02 . 1 . . . . . . . . 7063 1 1118 . 1 1 90 90 TYR HA H 1 6.015 0.02 . 1 . . . . . . . . 7063 1 1119 . 1 1 90 90 TYR HB2 H 1 2.871 0.02 . 1 . . . . . . . . 7063 1 1120 . 1 1 90 90 TYR HB3 H 1 2.871 0.02 . 1 . . . . . . . . 7063 1 1121 . 1 1 90 90 TYR C C 13 171.60 0.015 . 1 . . . . . . . . 7063 1 1122 . 1 1 90 90 TYR CA C 13 56.12 0.015 . 1 . . . . . . . . 7063 1 1123 . 1 1 90 90 TYR CB C 13 44.24 0.015 . 1 . . . . . . . . 7063 1 1124 . 1 1 90 90 TYR N N 15 118.30 0.015 . 1 . . . . . . . . 7063 1 1125 . 1 1 90 90 TYR CD1 C 13 134.2 0.015 . 1 . . . . . . . . 7063 1 1126 . 1 1 90 90 TYR CD2 C 13 134.2 0.015 . 1 . . . . . . . . 7063 1 1127 . 1 1 90 90 TYR CE1 C 13 117.9 0.015 . 1 . . . . . . . . 7063 1 1128 . 1 1 90 90 TYR CE2 C 13 117.9 0.015 . 1 . . . . . . . . 7063 1 1129 . 1 1 90 90 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 7063 1 1130 . 1 1 90 90 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 7063 1 1131 . 1 1 90 90 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 7063 1 1132 . 1 1 90 90 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 7063 1 1133 . 1 1 91 91 GLY H H 1 7.968 0.02 . 1 . . . . . . . . 7063 1 1134 . 1 1 91 91 GLY HA2 H 1 3.897 0.02 . 1 . . . . . . . . 7063 1 1135 . 1 1 91 91 GLY HA3 H 1 3.897 0.02 . 1 . . . . . . . . 7063 1 1136 . 1 1 91 91 GLY C C 13 171.91 0.015 . 1 . . . . . . . . 7063 1 1137 . 1 1 91 91 GLY CA C 13 45.07 0.015 . 1 . . . . . . . . 7063 1 1138 . 1 1 91 91 GLY N N 15 101.30 0.015 . 1 . . . . . . . . 7063 1 1139 . 1 1 92 92 ILE H H 1 9.073 0.02 . 1 . . . . . . . . 7063 1 1140 . 1 1 92 92 ILE HA H 1 4.907 0.02 . 1 . . . . . . . . 7063 1 1141 . 1 1 92 92 ILE HB H 1 2.096 0.02 . 1 . . . . . . . . 7063 1 1142 . 1 1 92 92 ILE HG12 H 1 1.488 0.02 . 2 . . . . . . . . 7063 1 1143 . 1 1 92 92 ILE HG13 H 1 1.357 0.02 . 2 . . . . . . . . 7063 1 1144 . 1 1 92 92 ILE HG21 H 1 1.083 0.02 . 1 . . . . . . . . 7063 1 1145 . 1 1 92 92 ILE HG22 H 1 1.083 0.02 . 1 . . . . . . . . 7063 1 1146 . 1 1 92 92 ILE HG23 H 1 1.083 0.02 . 1 . . . . . . . . 7063 1 1147 . 1 1 92 92 ILE HD11 H 1 1.053 0.02 . 1 . . . . . . . . 7063 1 1148 . 1 1 92 92 ILE HD12 H 1 1.053 0.02 . 1 . . . . . . . . 7063 1 1149 . 1 1 92 92 ILE HD13 H 1 1.053 0.02 . 1 . . . . . . . . 7063 1 1150 . 1 1 92 92 ILE C C 13 176.32 0.015 . 1 . . . . . . . . 7063 1 1151 . 1 1 92 92 ILE CA C 13 57.40 0.015 . 1 . . . . . . . . 7063 1 1152 . 1 1 92 92 ILE CB C 13 38.31 0.015 . 1 . . . . . . . . 7063 1 1153 . 1 1 92 92 ILE CG1 C 13 26.84 0.015 . 1 . . . . . . . . 7063 1 1154 . 1 1 92 92 ILE CG2 C 13 17.60 0.015 . 1 . . . . . . . . 7063 1 1155 . 1 1 92 92 ILE CD1 C 13 11.65 0.015 . 1 . . . . . . . . 7063 1 1156 . 1 1 92 92 ILE N N 15 120.35 0.015 . 1 . . . . . . . . 7063 1 1157 . 1 1 93 93 PRO HA H 1 5.300 0.02 . 1 . . . . . . . . 7063 1 1158 . 1 1 93 93 PRO HB2 H 1 1.834 0.02 . 2 . . . . . . . . 7063 1 1159 . 1 1 93 93 PRO HB3 H 1 1.385 0.02 . 2 . . . . . . . . 7063 1 1160 . 1 1 93 93 PRO HD2 H 1 3.949 0.02 . 2 . . . . . . . . 7063 1 1161 . 1 1 93 93 PRO HD3 H 1 3.799 0.02 . 2 . . . . . . . . 7063 1 1162 . 1 1 93 93 PRO C C 13 175.55 0.015 . 1 . . . . . . . . 7063 1 1163 . 1 1 93 93 PRO CA C 13 62.32 0.015 . 1 . . . . . . . . 7063 1 1164 . 1 1 93 93 PRO CB C 13 33.51 0.015 . 1 . . . . . . . . 7063 1 1165 . 1 1 93 93 PRO CG C 13 27.212 0.015 . 1 . . . . . . . . 7063 1 1166 . 1 1 93 93 PRO HG2 H 1 2.04 0.02 . 2 . . . . . . . . 7063 1 1167 . 1 1 93 93 PRO HG3 H 1 1.77 0.02 . 2 . . . . . . . . 7063 1 1168 . 1 1 93 93 PRO CD C 13 50.35 0.015 . 1 . . . . . . . . 7063 1 1169 . 1 1 94 94 HIS H H 1 9.375 0.02 . 1 . . . . . . . . 7063 1 1170 . 1 1 94 94 HIS HA H 1 4.558 0.02 . 1 . . . . . . . . 7063 1 1171 . 1 1 94 94 HIS HB2 H 1 2.756 0.02 . 2 . . . . . . . . 7063 1 1172 . 1 1 94 94 HIS HB3 H 1 2.605 0.02 . 2 . . . . . . . . 7063 1 1173 . 1 1 94 94 HIS C C 13 172.36 0.015 . 1 . . . . . . . . 7063 1 1174 . 1 1 94 94 HIS CA C 13 57.11 0.015 . 1 . . . . . . . . 7063 1 1175 . 1 1 94 94 HIS CB C 13 34.60 0.015 . 1 . . . . . . . . 7063 1 1176 . 1 1 94 94 HIS N N 15 118.46 0.015 . 1 . . . . . . . . 7063 1 1177 . 1 1 94 94 HIS CD2 C 13 126.56 0.015 . 1 . . . . . . . . 7063 1 1178 . 1 1 94 94 HIS HD2 H 1 6.278 0.02 . 1 . . . . . . . . 7063 1 1179 . 1 1 94 94 HIS CE1 C 13 137.8 0.015 . 1 . . . . . . . . 7063 1 1180 . 1 1 94 94 HIS HE1 H 1 7.09 0.02 . 1 . . . . . . . . 7063 1 1181 . 1 1 95 95 GLY H H 1 7.739 0.02 . 1 . . . . . . . . 7063 1 1182 . 1 1 95 95 GLY HA2 H 1 4.397 0.02 . 2 . . . . . . . . 7063 1 1183 . 1 1 95 95 GLY HA3 H 1 3.427 0.02 . 2 . . . . . . . . 7063 1 1184 . 1 1 95 95 GLY C C 13 171.87 0.015 . 1 . . . . . . . . 7063 1 1185 . 1 1 95 95 GLY CA C 13 44.23 0.015 . 1 . . . . . . . . 7063 1 1186 . 1 1 95 95 GLY N N 15 107.29 0.015 . 1 . . . . . . . . 7063 1 1187 . 1 1 96 96 PHE H H 1 9.119 0.02 . 1 . . . . . . . . 7063 1 1188 . 1 1 96 96 PHE HA H 1 4.883 0.02 . 1 . . . . . . . . 7063 1 1189 . 1 1 96 96 PHE HB2 H 1 3.133 0.02 . 2 . . . . . . . . 7063 1 1190 . 1 1 96 96 PHE HB3 H 1 2.473 0.02 . 2 . . . . . . . . 7063 1 1191 . 1 1 96 96 PHE C C 13 175.38 0.015 . 1 . . . . . . . . 7063 1 1192 . 1 1 96 96 PHE CA C 13 57.49 0.015 . 1 . . . . . . . . 7063 1 1193 . 1 1 96 96 PHE CB C 13 45.04 0.015 . 1 . . . . . . . . 7063 1 1194 . 1 1 96 96 PHE N N 15 117.41 0.015 . 1 . . . . . . . . 7063 1 1195 . 1 1 96 96 PHE CD1 C 13 131.5 0.015 . 1 . . . . . . . . 7063 1 1196 . 1 1 96 96 PHE CD2 C 13 131.5 0.015 . 1 . . . . . . . . 7063 1 1197 . 1 1 96 96 PHE CE1 C 13 131.6 0.015 . 1 . . . . . . . . 7063 1 1198 . 1 1 96 96 PHE CE2 C 13 131.6 0.015 . 1 . . . . . . . . 7063 1 1199 . 1 1 96 96 PHE HD1 H 1 6.98 0.02 . 1 . . . . . . . . 7063 1 1200 . 1 1 96 96 PHE HD2 H 1 6.98 0.02 . 1 . . . . . . . . 7063 1 1201 . 1 1 96 96 PHE HE1 H 1 6.70 0.02 . 1 . . . . . . . . 7063 1 1202 . 1 1 96 96 PHE HE2 H 1 6.70 0.02 . 1 . . . . . . . . 7063 1 1203 . 1 1 96 96 PHE CZ C 13 130.1 0.015 . 1 . . . . . . . . 7063 1 1204 . 1 1 96 96 PHE HZ H 1 5.51 0.02 . 1 . . . . . . . . 7063 1 1205 . 1 1 97 97 SER H H 1 9.394 0.02 . 1 . . . . . . . . 7063 1 1206 . 1 1 97 97 SER HA H 1 4.637 0.02 . 1 . . . . . . . . 7063 1 1207 . 1 1 97 97 SER HB2 H 1 3.858 0.02 . 2 . . . . . . . . 7063 1 1208 . 1 1 97 97 SER HB3 H 1 3.657 0.02 . 2 . . . . . . . . 7063 1 1209 . 1 1 97 97 SER C C 13 173.38 0.015 . 1 . . . . . . . . 7063 1 1210 . 1 1 97 97 SER CA C 13 58.68 0.015 . 1 . . . . . . . . 7063 1 1211 . 1 1 97 97 SER CB C 13 63.83 0.015 . 1 . . . . . . . . 7063 1 1212 . 1 1 97 97 SER N N 15 116.72 0.015 . 1 . . . . . . . . 7063 1 1213 . 1 1 98 98 SER H H 1 7.321 0.02 . 1 . . . . . . . . 7063 1 1214 . 1 1 98 98 SER HA H 1 4.698 0.02 . 1 . . . . . . . . 7063 1 1215 . 1 1 98 98 SER HB2 H 1 4.149 0.02 . 2 . . . . . . . . 7063 1 1216 . 1 1 98 98 SER HB3 H 1 3.982 0.02 . 2 . . . . . . . . 7063 1 1217 . 1 1 98 98 SER C C 13 173.98 0.015 . 1 . . . . . . . . 7063 1 1218 . 1 1 98 98 SER CA C 13 56.73 0.015 . 1 . . . . . . . . 7063 1 1219 . 1 1 98 98 SER CB C 13 65.68 0.015 . 1 . . . . . . . . 7063 1 1220 . 1 1 98 98 SER N N 15 110.75 0.015 . 1 . . . . . . . . 7063 1 1221 . 1 1 99 99 ARG H H 1 9.231 0.02 . 1 . . . . . . . . 7063 1 1222 . 1 1 99 99 ARG HA H 1 3.836 0.02 . 1 . . . . . . . . 7063 1 1223 . 1 1 99 99 ARG HB2 H 1 1.836 0.02 . 1 . . . . . . . . 7063 1 1224 . 1 1 99 99 ARG HB3 H 1 1.836 0.02 . 1 . . . . . . . . 7063 1 1225 . 1 1 99 99 ARG HG2 H 1 1.687 0.02 . 2 . . . . . . . . 7063 1 1226 . 1 1 99 99 ARG HG3 H 1 1.374 0.02 . 2 . . . . . . . . 7063 1 1227 . 1 1 99 99 ARG HD2 H 1 3.140 0.02 . 1 . . . . . . . . 7063 1 1228 . 1 1 99 99 ARG HD3 H 1 3.140 0.02 . 1 . . . . . . . . 7063 1 1229 . 1 1 99 99 ARG C C 13 178.19 0.015 . 1 . . . . . . . . 7063 1 1230 . 1 1 99 99 ARG CA C 13 60.28 0.015 . 1 . . . . . . . . 7063 1 1231 . 1 1 99 99 ARG CB C 13 29.45 0.015 . 1 . . . . . . . . 7063 1 1232 . 1 1 99 99 ARG CG C 13 28.40 0.015 . 1 . . . . . . . . 7063 1 1233 . 1 1 99 99 ARG CD C 13 43.353 0.015 . 1 . . . . . . . . 7063 1 1234 . 1 1 99 99 ARG N N 15 123.23 0.015 . 1 . . . . . . . . 7063 1 1235 . 1 1 100 100 ILE H H 1 8.178 0.02 . 1 . . . . . . . . 7063 1 1236 . 1 1 100 100 ILE HA H 1 3.951 0.02 . 1 . . . . . . . . 7063 1 1237 . 1 1 100 100 ILE HB H 1 1.762 0.02 . 1 . . . . . . . . 7063 1 1238 . 1 1 100 100 ILE HG12 H 1 1.484 0.02 . 2 . . . . . . . . 7063 1 1239 . 1 1 100 100 ILE HG13 H 1 1.232 0.02 . 2 . . . . . . . . 7063 1 1240 . 1 1 100 100 ILE HG21 H 1 0.905 0.02 . 1 . . . . . . . . 7063 1 1241 . 1 1 100 100 ILE HG22 H 1 0.905 0.02 . 1 . . . . . . . . 7063 1 1242 . 1 1 100 100 ILE HG23 H 1 0.905 0.02 . 1 . . . . . . . . 7063 1 1243 . 1 1 100 100 ILE HD11 H 1 0.867 0.02 . 1 . . . . . . . . 7063 1 1244 . 1 1 100 100 ILE HD12 H 1 0.867 0.02 . 1 . . . . . . . . 7063 1 1245 . 1 1 100 100 ILE HD13 H 1 0.867 0.02 . 1 . . . . . . . . 7063 1 1246 . 1 1 100 100 ILE C C 13 177.57 0.015 . 1 . . . . . . . . 7063 1 1247 . 1 1 100 100 ILE CA C 13 63.71 0.015 . 1 . . . . . . . . 7063 1 1248 . 1 1 100 100 ILE CB C 13 37.74 0.015 . 1 . . . . . . . . 7063 1 1249 . 1 1 100 100 ILE CG1 C 13 29.13 0.015 . 1 . . . . . . . . 7063 1 1250 . 1 1 100 100 ILE CG2 C 13 17.40 0.015 . 1 . . . . . . . . 7063 1 1251 . 1 1 100 100 ILE CD1 C 13 13.25 0.015 . 1 . . . . . . . . 7063 1 1252 . 1 1 100 100 ILE N N 15 118.64 0.015 . 1 . . . . . . . . 7063 1 1253 . 1 1 101 101 ALA H H 1 7.871 0.02 . 1 . . . . . . . . 7063 1 1254 . 1 1 101 101 ALA HA H 1 4.151 0.02 . 1 . . . . . . . . 7063 1 1255 . 1 1 101 101 ALA HB1 H 1 1.681 0.02 . 1 . . . . . . . . 7063 1 1256 . 1 1 101 101 ALA HB2 H 1 1.681 0.02 . 1 . . . . . . . . 7063 1 1257 . 1 1 101 101 ALA HB3 H 1 1.681 0.02 . 1 . . . . . . . . 7063 1 1258 . 1 1 101 101 ALA C C 13 181.20 0.015 . 1 . . . . . . . . 7063 1 1259 . 1 1 101 101 ALA CA C 13 55.09 0.015 . 1 . . . . . . . . 7063 1 1260 . 1 1 101 101 ALA CB C 13 18.85 0.015 . 1 . . . . . . . . 7063 1 1261 . 1 1 101 101 ALA N N 15 123.28 0.015 . 1 . . . . . . . . 7063 1 1262 . 1 1 102 102 LEU H H 1 7.432 0.02 . 1 . . . . . . . . 7063 1 1263 . 1 1 102 102 LEU HA H 1 3.366 0.02 . 1 . . . . . . . . 7063 1 1264 . 1 1 102 102 LEU HB2 H 1 1.809 0.02 . 2 . . . . . . . . 7063 1 1265 . 1 1 102 102 LEU HB3 H 1 0.854 0.02 . 2 . . . . . . . . 7063 1 1266 . 1 1 102 102 LEU HG H 1 1.139 0.02 . 1 . . . . . . . . 7063 1 1267 . 1 1 102 102 LEU HD21 H 1 0.671 0.02 . 1 . . . . . . . . 7063 1 1268 . 1 1 102 102 LEU HD22 H 1 0.671 0.02 . 1 . . . . . . . . 7063 1 1269 . 1 1 102 102 LEU HD23 H 1 0.671 0.02 . 1 . . . . . . . . 7063 1 1270 . 1 1 102 102 LEU HD11 H 1 0.137 0.02 . 1 . . . . . . . . 7063 1 1271 . 1 1 102 102 LEU HD12 H 1 0.137 0.02 . 1 . . . . . . . . 7063 1 1272 . 1 1 102 102 LEU HD13 H 1 0.137 0.02 . 1 . . . . . . . . 7063 1 1273 . 1 1 102 102 LEU C C 13 177.18 0.015 . 1 . . . . . . . . 7063 1 1274 . 1 1 102 102 LEU CA C 13 57.13 0.015 . 1 . . . . . . . . 7063 1 1275 . 1 1 102 102 LEU CB C 13 40.06 0.015 . 1 . . . . . . . . 7063 1 1276 . 1 1 102 102 LEU CG C 13 27.10 0.015 . 1 . . . . . . . . 7063 1 1277 . 1 1 102 102 LEU CD2 C 13 29.01 0.015 . 1 . . . . . . . . 7063 1 1278 . 1 1 102 102 LEU CD1 C 13 21.93 0.015 . 1 . . . . . . . . 7063 1 1279 . 1 1 102 102 LEU N N 15 119.62 0.015 . 1 . . . . . . . . 7063 1 1280 . 1 1 103 103 GLU H H 1 8.735 0.02 . 1 . . . . . . . . 7063 1 1281 . 1 1 103 103 GLU HA H 1 3.622 0.02 . 1 . . . . . . . . 7063 1 1282 . 1 1 103 103 GLU HB2 H 1 2.094 0.02 . 2 . . . . . . . . 7063 1 1283 . 1 1 103 103 GLU HB3 H 1 1.926 0.02 . 2 . . . . . . . . 7063 1 1284 . 1 1 103 103 GLU HG2 H 1 2.352 0.02 . 2 . . . . . . . . 7063 1 1285 . 1 1 103 103 GLU HG3 H 1 2.055 0.02 . 2 . . . . . . . . 7063 1 1286 . 1 1 103 103 GLU C C 13 179.40 0.015 . 1 . . . . . . . . 7063 1 1287 . 1 1 103 103 GLU CA C 13 60.59 0.015 . 1 . . . . . . . . 7063 1 1288 . 1 1 103 103 GLU CB C 13 29.59 0.015 . 1 . . . . . . . . 7063 1 1289 . 1 1 103 103 GLU CG C 13 37.50 0.015 . 1 . . . . . . . . 7063 1 1290 . 1 1 103 103 GLU N N 15 120.51 0.015 . 1 . . . . . . . . 7063 1 1291 . 1 1 104 104 ARG H H 1 8.419 0.02 . 1 . . . . . . . . 7063 1 1292 . 1 1 104 104 ARG HA H 1 4.021 0.02 . 1 . . . . . . . . 7063 1 1293 . 1 1 104 104 ARG HB2 H 1 1.886 0.02 . 1 . . . . . . . . 7063 1 1294 . 1 1 104 104 ARG HB3 H 1 1.886 0.02 . 1 . . . . . . . . 7063 1 1295 . 1 1 104 104 ARG HD2 H 1 3.164 0.02 . 1 . . . . . . . . 7063 1 1296 . 1 1 104 104 ARG HD3 H 1 3.164 0.02 . 1 . . . . . . . . 7063 1 1297 . 1 1 104 104 ARG HG2 H 1 1.836 0.02 . 2 . . . . . . . . 7063 1 1298 . 1 1 104 104 ARG HG3 H 1 1.655 0.02 . 2 . . . . . . . . 7063 1 1299 . 1 1 104 104 ARG C C 13 179.64 0.015 . 1 . . . . . . . . 7063 1 1300 . 1 1 104 104 ARG CA C 13 59.39 0.015 . 1 . . . . . . . . 7063 1 1301 . 1 1 104 104 ARG CB C 13 30.17 0.015 . 1 . . . . . . . . 7063 1 1302 . 1 1 104 104 ARG CG C 13 27.768 0.015 . 1 . . . . . . . . 7063 1 1303 . 1 1 104 104 ARG CD C 13 43.55 0.015 . 1 . . . . . . . . 7063 1 1304 . 1 1 104 104 ARG N N 15 118.35 0.015 . 1 . . . . . . . . 7063 1 1305 . 1 1 105 105 TYR H H 1 7.786 0.02 . 1 . . . . . . . . 7063 1 1306 . 1 1 105 105 TYR HA H 1 4.101 0.02 . 1 . . . . . . . . 7063 1 1307 . 1 1 105 105 TYR HB2 H 1 3.087 0.02 . 2 . . . . . . . . 7063 1 1308 . 1 1 105 105 TYR HB3 H 1 2.854 0.02 . 2 . . . . . . . . 7063 1 1309 . 1 1 105 105 TYR C C 13 176.29 0.015 . 1 . . . . . . . . 7063 1 1310 . 1 1 105 105 TYR CA C 13 61.72 0.015 . 1 . . . . . . . . 7063 1 1311 . 1 1 105 105 TYR CB C 13 38.88 0.015 . 1 . . . . . . . . 7063 1 1312 . 1 1 105 105 TYR HD1 H 1 6.70 0.02 . 1 . . . . . . . . 7063 1 1313 . 1 1 105 105 TYR HD2 H 1 6.70 0.02 . 1 . . . . . . . . 7063 1 1314 . 1 1 105 105 TYR HE1 H 1 6.56 0.02 . 1 . . . . . . . . 7063 1 1315 . 1 1 105 105 TYR HE2 H 1 6.56 0.02 . 1 . . . . . . . . 7063 1 1316 . 1 1 105 105 TYR N N 15 123.05 0.015 . 1 . . . . . . . . 7063 1 1317 . 1 1 106 106 LEU H H 1 8.530 0.02 . 1 . . . . . . . . 7063 1 1318 . 1 1 106 106 LEU HA H 1 3.701 0.02 . 1 . . . . . . . . 7063 1 1319 . 1 1 106 106 LEU HB2 H 1 1.993 0.02 . 2 . . . . . . . . 7063 1 1320 . 1 1 106 106 LEU HB3 H 1 1.420 0.02 . 2 . . . . . . . . 7063 1 1321 . 1 1 106 106 LEU HG H 1 1.887 0.02 . 1 . . . . . . . . 7063 1 1322 . 1 1 106 106 LEU HD11 H 1 0.520 0.02 . 1 . . . . . . . . 7063 1 1323 . 1 1 106 106 LEU HD12 H 1 0.520 0.02 . 1 . . . . . . . . 7063 1 1324 . 1 1 106 106 LEU HD13 H 1 0.520 0.02 . 1 . . . . . . . . 7063 1 1325 . 1 1 106 106 LEU HD21 H 1 0.672 0.02 . 1 . . . . . . . . 7063 1 1326 . 1 1 106 106 LEU HD22 H 1 0.672 0.02 . 1 . . . . . . . . 7063 1 1327 . 1 1 106 106 LEU HD23 H 1 0.672 0.02 . 1 . . . . . . . . 7063 1 1328 . 1 1 106 106 LEU C C 13 180.06 0.015 . 1 . . . . . . . . 7063 1 1329 . 1 1 106 106 LEU CA C 13 57.71 0.015 . 1 . . . . . . . . 7063 1 1330 . 1 1 106 106 LEU CB C 13 41.68 0.015 . 1 . . . . . . . . 7063 1 1331 . 1 1 106 106 LEU CG C 13 26.32 0.015 . 1 . . . . . . . . 7063 1 1332 . 1 1 106 106 LEU CD1 C 13 26.47 0.015 . 1 . . . . . . . . 7063 1 1333 . 1 1 106 106 LEU CD2 C 13 21.86 0.015 . 1 . . . . . . . . 7063 1 1334 . 1 1 106 106 LEU N N 15 117.63 0.015 . 1 . . . . . . . . 7063 1 1335 . 1 1 107 107 ASN H H 1 8.080 0.02 . 1 . . . . . . . . 7063 1 1336 . 1 1 107 107 ASN HA H 1 4.277 0.02 . 1 . . . . . . . . 7063 1 1337 . 1 1 107 107 ASN HB2 H 1 2.779 0.02 . 2 . . . . . . . . 7063 1 1338 . 1 1 107 107 ASN HB3 H 1 2.688 0.02 . 2 . . . . . . . . 7063 1 1339 . 1 1 107 107 ASN HD21 H 1 7.557 0.02 . 1 . . . . . . . . 7063 1 1340 . 1 1 107 107 ASN HD22 H 1 6.996 0.02 . 1 . . . . . . . . 7063 1 1341 . 1 1 107 107 ASN C C 13 178.15 0.015 . 1 . . . . . . . . 7063 1 1342 . 1 1 107 107 ASN CA C 13 56.22 0.015 . 1 . . . . . . . . 7063 1 1343 . 1 1 107 107 ASN CB C 13 38.48 0.015 . 1 . . . . . . . . 7063 1 1344 . 1 1 107 107 ASN N N 15 116.92 0.015 . 1 . . . . . . . . 7063 1 1345 . 1 1 107 107 ASN ND2 N 15 112.31 0.015 . 1 . . . . . . . . 7063 1 1346 . 1 1 108 108 GLY H H 1 8.083 0.02 . 1 . . . . . . . . 7063 1 1347 . 1 1 108 108 GLY HA2 H 1 3.793 0.02 . 2 . . . . . . . . 7063 1 1348 . 1 1 108 108 GLY HA3 H 1 3.507 0.02 . 2 . . . . . . . . 7063 1 1349 . 1 1 108 108 GLY C C 13 174.90 0.015 . 1 . . . . . . . . 7063 1 1350 . 1 1 108 108 GLY CA C 13 46.60 0.015 . 1 . . . . . . . . 7063 1 1351 . 1 1 108 108 GLY N N 15 107.06 0.015 . 1 . . . . . . . . 7063 1 1352 . 1 1 109 109 LEU H H 1 8.376 0.02 . 1 . . . . . . . . 7063 1 1353 . 1 1 109 109 LEU HA H 1 3.621 0.02 . 1 . . . . . . . . 7063 1 1354 . 1 1 109 109 LEU HB2 H 1 0.500 0.02 . 2 . . . . . . . . 7063 1 1355 . 1 1 109 109 LEU HB3 H 1 0.282 0.02 . 2 . . . . . . . . 7063 1 1356 . 1 1 109 109 LEU HG H 1 0.276 0.02 . 1 . . . . . . . . 7063 1 1357 . 1 1 109 109 LEU HD21 H 1 0.165 0.02 . 1 . . . . . . . . 7063 1 1358 . 1 1 109 109 LEU HD22 H 1 0.165 0.02 . 1 . . . . . . . . 7063 1 1359 . 1 1 109 109 LEU HD23 H 1 0.165 0.02 . 1 . . . . . . . . 7063 1 1360 . 1 1 109 109 LEU HD11 H 1 0.434 0.02 . 1 . . . . . . . . 7063 1 1361 . 1 1 109 109 LEU HD12 H 1 0.434 0.02 . 1 . . . . . . . . 7063 1 1362 . 1 1 109 109 LEU HD13 H 1 0.434 0.02 . 1 . . . . . . . . 7063 1 1363 . 1 1 109 109 LEU C C 13 177.36 0.015 . 1 . . . . . . . . 7063 1 1364 . 1 1 109 109 LEU CA C 13 56.75 0.015 . 1 . . . . . . . . 7063 1 1365 . 1 1 109 109 LEU CB C 13 42.48 0.015 . 1 . . . . . . . . 7063 1 1366 . 1 1 109 109 LEU CG C 13 25.67 0.015 . 1 . . . . . . . . 7063 1 1367 . 1 1 109 109 LEU CD2 C 13 26.53 0.015 . 1 . . . . . . . . 7063 1 1368 . 1 1 109 109 LEU CD1 C 13 23.34 0.015 . 1 . . . . . . . . 7063 1 1369 . 1 1 109 109 LEU N N 15 122.69 0.015 . 1 . . . . . . . . 7063 1 1370 . 1 1 110 110 PHE H H 1 7.859 0.02 . 1 . . . . . . . . 7063 1 1371 . 1 1 110 110 PHE HA H 1 4.796 0.02 . 1 . . . . . . . . 7063 1 1372 . 1 1 110 110 PHE HB2 H 1 3.265 0.02 . 2 . . . . . . . . 7063 1 1373 . 1 1 110 110 PHE HB3 H 1 2.885 0.02 . 2 . . . . . . . . 7063 1 1374 . 1 1 110 110 PHE C C 13 176.89 0.015 . 1 . . . . . . . . 7063 1 1375 . 1 1 110 110 PHE CA C 13 56.58 0.015 . 1 . . . . . . . . 7063 1 1376 . 1 1 110 110 PHE CB C 13 40.46 0.015 . 1 . . . . . . . . 7063 1 1377 . 1 1 110 110 PHE N N 15 112.94 0.015 . 1 . . . . . . . . 7063 1 1378 . 1 1 110 110 PHE CE1 C 13 131.2 0.015 . 1 . . . . . . . . 7063 1 1379 . 1 1 110 110 PHE CE2 C 13 131.2 0.015 . 1 . . . . . . . . 7063 1 1380 . 1 1 110 110 PHE CD1 C 13 131.2 0.015 . 1 . . . . . . . . 7063 1 1381 . 1 1 110 110 PHE CD2 C 13 131.2 0.015 . 1 . . . . . . . . 7063 1 1382 . 1 1 110 110 PHE HE1 H 1 7.12 0.02 . 1 . . . . . . . . 7063 1 1383 . 1 1 110 110 PHE HE2 H 1 7.12 0.02 . 1 . . . . . . . . 7063 1 1384 . 1 1 110 110 PHE HD1 H 1 7.19 0.02 . 1 . . . . . . . . 7063 1 1385 . 1 1 110 110 PHE HD2 H 1 7.19 0.02 . 1 . . . . . . . . 7063 1 1386 . 1 1 110 110 PHE CZ C 13 130.8 0.015 . 1 . . . . . . . . 7063 1 1387 . 1 1 110 110 PHE HZ H 1 7.85 0.02 . 1 . . . . . . . . 7063 1 1388 . 1 1 111 111 GLY H H 1 7.410 0.02 . 1 . . . . . . . . 7063 1 1389 . 1 1 111 111 GLY HA2 H 1 4.154 0.02 . 2 . . . . . . . . 7063 1 1390 . 1 1 111 111 GLY HA3 H 1 4.033 0.02 . 2 . . . . . . . . 7063 1 1391 . 1 1 111 111 GLY C C 13 173.55 0.015 . 1 . . . . . . . . 7063 1 1392 . 1 1 111 111 GLY CA C 13 45.01 0.015 . 1 . . . . . . . . 7063 1 1393 . 1 1 111 111 GLY N N 15 108.92 0.015 . 1 . . . . . . . . 7063 1 1394 . 1 1 112 112 ASP H H 1 8.334 0.02 . 1 . . . . . . . . 7063 1 1395 . 1 1 112 112 ASP HA H 1 4.634 0.02 . 1 . . . . . . . . 7063 1 1396 . 1 1 112 112 ASP HB2 H 1 2.628 0.02 . 1 . . . . . . . . 7063 1 1397 . 1 1 112 112 ASP HB3 H 1 2.628 0.02 . 1 . . . . . . . . 7063 1 1398 . 1 1 112 112 ASP C C 13 176.62 0.015 . 1 . . . . . . . . 7063 1 1399 . 1 1 112 112 ASP CA C 13 53.70 0.015 . 1 . . . . . . . . 7063 1 1400 . 1 1 112 112 ASP CB C 13 41.61 0.015 . 1 . . . . . . . . 7063 1 1401 . 1 1 112 112 ASP N N 15 120.20 0.015 . 1 . . . . . . . . 7063 1 1402 . 1 1 113 113 GLU H H 1 8.622 0.02 . 1 . . . . . . . . 7063 1 1403 . 1 1 113 113 GLU HA H 1 4.046 0.02 . 1 . . . . . . . . 7063 1 1404 . 1 1 113 113 GLU HB2 H 1 1.965 0.02 . 2 . . . . . . . . 7063 1 1405 . 1 1 113 113 GLU HB3 H 1 1.906 0.02 . 2 . . . . . . . . 7063 1 1406 . 1 1 113 113 GLU HG2 H 1 2.161 0.02 . 1 . . . . . . . . 7063 1 1407 . 1 1 113 113 GLU HG3 H 1 2.161 0.02 . 1 . . . . . . . . 7063 1 1408 . 1 1 113 113 GLU C C 13 176.94 0.015 . 1 . . . . . . . . 7063 1 1409 . 1 1 113 113 GLU CA C 13 57.43 0.015 . 1 . . . . . . . . 7063 1 1410 . 1 1 113 113 GLU CB C 13 29.88 0.015 . 1 . . . . . . . . 7063 1 1411 . 1 1 113 113 GLU CG C 13 36.11 0.015 . 1 . . . . . . . . 7063 1 1412 . 1 1 113 113 GLU N N 15 122.00 0.015 . 1 . . . . . . . . 7063 1 1413 . 1 1 114 114 LYS H H 1 8.415 0.02 . 1 . . . . . . . . 7063 1 1414 . 1 1 114 114 LYS HA H 1 4.221 0.02 . 1 . . . . . . . . 7063 1 1415 . 1 1 114 114 LYS HB2 H 1 1.775 0.02 . 1 . . . . . . . . 7063 1 1416 . 1 1 114 114 LYS HB3 H 1 1.775 0.02 . 1 . . . . . . . . 7063 1 1417 . 1 1 114 114 LYS HG2 H 1 1.405 0.02 . 2 . . . . . . . . 7063 1 1418 . 1 1 114 114 LYS HG3 H 1 1.341 0.02 . 2 . . . . . . . . 7063 1 1419 . 1 1 114 114 LYS HD2 H 1 1.614 0.02 . 1 . . . . . . . . 7063 1 1420 . 1 1 114 114 LYS HD3 H 1 1.614 0.02 . 1 . . . . . . . . 7063 1 1421 . 1 1 114 114 LYS HE2 H 1 2.934 0.02 . 1 . . . . . . . . 7063 1 1422 . 1 1 114 114 LYS HE3 H 1 2.934 0.02 . 1 . . . . . . . . 7063 1 1423 . 1 1 114 114 LYS C C 13 177.34 0.015 . 1 . . . . . . . . 7063 1 1424 . 1 1 114 114 LYS CA C 13 56.90 0.015 . 1 . . . . . . . . 7063 1 1425 . 1 1 114 114 LYS CB C 13 32.49 0.015 . 1 . . . . . . . . 7063 1 1426 . 1 1 114 114 LYS CG C 13 24.85 0.015 . 1 . . . . . . . . 7063 1 1427 . 1 1 114 114 LYS CD C 13 28.89 0.015 . 1 . . . . . . . . 7063 1 1428 . 1 1 114 114 LYS CE C 13 41.82 0.015 . 1 . . . . . . . . 7063 1 1429 . 1 1 114 114 LYS N N 15 121.34 0.015 . 1 . . . . . . . . 7063 1 1430 . 1 1 115 115 THR H H 1 8.043 0.02 . 1 . . . . . . . . 7063 1 1431 . 1 1 115 115 THR HA H 1 4.174 0.02 . 1 . . . . . . . . 7063 1 1432 . 1 1 115 115 THR HB H 1 4.145 0.02 . 1 . . . . . . . . 7063 1 1433 . 1 1 115 115 THR HG21 H 1 1.123 0.02 . 1 . . . . . . . . 7063 1 1434 . 1 1 115 115 THR HG22 H 1 1.123 0.02 . 1 . . . . . . . . 7063 1 1435 . 1 1 115 115 THR HG23 H 1 1.123 0.02 . 1 . . . . . . . . 7063 1 1436 . 1 1 115 115 THR C C 13 174.70 0.015 . 1 . . . . . . . . 7063 1 1437 . 1 1 115 115 THR CA C 13 62.66 0.015 . 1 . . . . . . . . 7063 1 1438 . 1 1 115 115 THR CB C 13 69.48 0.015 . 1 . . . . . . . . 7063 1 1439 . 1 1 115 115 THR CG2 C 13 21.57 0.015 . 1 . . . . . . . . 7063 1 1440 . 1 1 115 115 THR N N 15 114.75 0.015 . 1 . . . . . . . . 7063 1 1441 . 1 1 116 116 ASP H H 1 8.228 0.02 . 1 . . . . . . . . 7063 1 1442 . 1 1 116 116 ASP HA H 1 4.570 0.02 . 1 . . . . . . . . 7063 1 1443 . 1 1 116 116 ASP HB2 H 1 2.676 0.02 . 2 . . . . . . . . 7063 1 1444 . 1 1 116 116 ASP HB3 H 1 2.611 0.02 . 2 . . . . . . . . 7063 1 1445 . 1 1 116 116 ASP C C 13 176.80 0.015 . 1 . . . . . . . . 7063 1 1446 . 1 1 116 116 ASP CA C 13 54.48 0.015 . 1 . . . . . . . . 7063 1 1447 . 1 1 116 116 ASP CB C 13 40.95 0.015 . 1 . . . . . . . . 7063 1 1448 . 1 1 116 116 ASP N N 15 122.57 0.015 . 1 . . . . . . . . 7063 1 1449 . 1 1 117 117 LEU H H 1 8.156 0.02 . 1 . . . . . . . . 7063 1 1450 . 1 1 117 117 LEU HA H 1 4.108 0.02 . 1 . . . . . . . . 7063 1 1451 . 1 1 117 117 LEU HB2 H 1 1.610 0.02 . 2 . . . . . . . . 7063 1 1452 . 1 1 117 117 LEU HB3 H 1 1.497 0.02 . 2 . . . . . . . . 7063 1 1453 . 1 1 117 117 LEU HG H 1 1.581 0.02 . 1 . . . . . . . . 7063 1 1454 . 1 1 117 117 LEU HD11 H 1 0.848 0.02 . 1 . . . . . . . . 7063 1 1455 . 1 1 117 117 LEU HD12 H 1 0.848 0.02 . 1 . . . . . . . . 7063 1 1456 . 1 1 117 117 LEU HD13 H 1 0.848 0.02 . 1 . . . . . . . . 7063 1 1457 . 1 1 117 117 LEU HD21 H 1 0.778 0.02 . 1 . . . . . . . . 7063 1 1458 . 1 1 117 117 LEU HD22 H 1 0.778 0.02 . 1 . . . . . . . . 7063 1 1459 . 1 1 117 117 LEU HD23 H 1 0.778 0.02 . 1 . . . . . . . . 7063 1 1460 . 1 1 117 117 LEU C C 13 178.25 0.015 . 1 . . . . . . . . 7063 1 1461 . 1 1 117 117 LEU CA C 13 56.07 0.015 . 1 . . . . . . . . 7063 1 1462 . 1 1 117 117 LEU CB C 13 42.06 0.015 . 1 . . . . . . . . 7063 1 1463 . 1 1 117 117 LEU CG C 13 26.98 0.015 . 1 . . . . . . . . 7063 1 1464 . 1 1 117 117 LEU CD1 C 13 25.00 0.015 . 1 . . . . . . . . 7063 1 1465 . 1 1 117 117 LEU CD2 C 13 23.22 0.015 . 1 . . . . . . . . 7063 1 1466 . 1 1 117 117 LEU N N 15 121.93 0.015 . 1 . . . . . . . . 7063 1 1467 . 1 1 118 118 GLU H H 1 8.150 0.02 . 1 . . . . . . . . 7063 1 1468 . 1 1 118 118 GLU HA H 1 4.059 0.02 . 1 . . . . . . . . 7063 1 1469 . 1 1 118 118 GLU HB2 H 1 1.836 0.02 . 1 . . . . . . . . 7063 1 1470 . 1 1 118 118 GLU HB3 H 1 1.836 0.02 . 1 . . . . . . . . 7063 1 1471 . 1 1 118 118 GLU HG2 H 1 2.163 0.02 . 2 . . . . . . . . 7063 1 1472 . 1 1 118 118 GLU HG3 H 1 2.069 0.02 . 2 . . . . . . . . 7063 1 1473 . 1 1 118 118 GLU C C 13 176.83 0.015 . 1 . . . . . . . . 7063 1 1474 . 1 1 118 118 GLU CA C 13 57.04 0.015 . 1 . . . . . . . . 7063 1 1475 . 1 1 118 118 GLU CB C 13 29.78 0.015 . 1 . . . . . . . . 7063 1 1476 . 1 1 118 118 GLU CG C 13 36.12 0.015 . 1 . . . . . . . . 7063 1 1477 . 1 1 118 118 GLU N N 15 119.08 0.015 . 1 . . . . . . . . 7063 1 1478 . 1 1 119 119 HIS H H 1 8.076 0.02 . 1 . . . . . . . . 7063 1 1479 . 1 1 119 119 HIS C C 13 174.83 0.015 . 1 . . . . . . . . 7063 1 1480 . 1 1 119 119 HIS CA C 13 56.020 0.015 . 1 . . . . . . . . 7063 1 1481 . 1 1 119 119 HIS CB C 13 29.403 0.015 . 1 . . . . . . . . 7063 1 1482 . 1 1 119 119 HIS N N 15 117.60 0.015 . 1 . . . . . . . . 7063 1 1483 . 1 1 120 120 HIS H H 1 8.395 0.02 . 1 . . . . . . . . 7063 1 1484 . 1 1 120 120 HIS HA H 1 4.586 0.02 . 1 . . . . . . . . 7063 1 1485 . 1 1 120 120 HIS HB2 H 1 3.110 0.02 . 1 . . . . . . . . 7063 1 1486 . 1 1 120 120 HIS HB3 H 1 3.110 0.02 . 1 . . . . . . . . 7063 1 1487 . 1 1 120 120 HIS C C 13 173.87 0.015 . 1 . . . . . . . . 7063 1 1488 . 1 1 120 120 HIS CA C 13 55.53 0.015 . 1 . . . . . . . . 7063 1 1489 . 1 1 120 120 HIS CB C 13 29.62 0.015 . 1 . . . . . . . . 7063 1 1490 . 1 1 120 120 HIS N N 15 119.54 0.015 . 1 . . . . . . . . 7063 1 1491 . 1 1 121 121 HIS H H 1 8.238 0.02 . 1 . . . . . . . . 7063 1 1492 . 1 1 121 121 HIS C C 13 179.10 0.015 . 1 . . . . . . . . 7063 1 1493 . 1 1 121 121 HIS CA C 13 57.280 0.015 . 1 . . . . . . . . 7063 1 1494 . 1 1 121 121 HIS CB C 13 29.925 0.015 . 1 . . . . . . . . 7063 1 1495 . 1 1 121 121 HIS N N 15 125.28 0.015 . 1 . . . . . . . . 7063 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 7063 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 7063 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 ARG H . . . . 1 1 4 4 ARG HA . . . 6.2 . . 2.0 . . . . . . . . . . . 7063 1 2 3JHNHA . 1 1 8 8 VAL H . . . . 1 1 8 8 VAL HA . . . 4.25 . . 2.0 . . . . . . . . . . . 7063 1 3 3JHNHA . 1 1 11 11 VAL H . . . . 1 1 11 11 VAL HA . . . 4.63 . . 2.0 . . . . . . . . . . . 7063 1 4 3JHNHA . 1 1 14 14 LYS H . . . . 1 1 14 14 LYS HA . . . 4.03 . . 2.0 . . . . . . . . . . . 7063 1 5 3JHNHA . 1 1 15 15 ALA H . . . . 1 1 15 15 ALA HA . . . 6.07 . . 2.0 . . . . . . . . . . . 7063 1 6 3JHNHA . 1 1 18 18 THR H . . . . 1 1 18 18 THR HA . . . 8.19 . . 2.0 . . . . . . . . . . . 7063 1 7 3JHNHA . 1 1 20 20 ASP H . . . . 1 1 20 20 ASP HA . . . 10.26 . . 2.0 . . . . . . . . . . . 7063 1 8 3JHNHA . 1 1 22 22 VAL H . . . . 1 1 22 22 VAL HA . . . 7.9 . . 2.0 . . . . . . . . . . . 7063 1 9 3JHNHA . 1 1 23 23 THR H . . . . 1 1 23 23 THR HA . . . 8.02 . . 2.0 . . . . . . . . . . . 7063 1 10 3JHNHA . 1 1 26 26 THR H . . . . 1 1 26 26 THR HA . . . 6.02 . . 2.0 . . . . . . . . . . . 7063 1 11 3JHNHA . 1 1 30 30 ARG H . . . . 1 1 30 30 ARG HA . . . 8.14 . . 2.0 . . . . . . . . . . . 7063 1 12 3JHNHA . 1 1 33 33 GLU H . . . . 1 1 33 33 GLU HA . . . 6.35 . . 2.0 . . . . . . . . . . . 7063 1 13 3JHNHA . 1 1 35 35 TYR H . . . . 1 1 35 35 TYR HA . . . 8.23 . . 2.0 . . . . . . . . . . . 7063 1 14 3JHNHA . 1 1 36 36 VAL H . . . . 1 1 36 36 VAL HA . . . 8.71 . . 2.0 . . . . . . . . . . . 7063 1 15 3JHNHA . 1 1 37 37 TYR H . . . . 1 1 37 37 TYR HA . . . 8.05 . . 2.0 . . . . . . . . . . . 7063 1 16 3JHNHA . 1 1 38 38 VAL H . . . . 1 1 38 38 VAL HA . . . 8.38 . . 2.0 . . . . . . . . . . . 7063 1 17 3JHNHA . 1 1 41 41 GLU H . . . . 1 1 41 41 GLU HA . . . 6.84 . . 2.0 . . . . . . . . . . . 7063 1 18 3JHNHA . 1 1 42 42 ALA H . . . . 1 1 42 42 ALA HA . . . 5.49 . . 2.0 . . . . . . . . . . . 7063 1 19 3JHNHA . 1 1 47 47 THR H . . . . 1 1 47 47 THR HA . . . 8.68 . . 2.0 . . . . . . . . . . . 7063 1 20 3JHNHA . 1 1 48 48 ALA H . . . . 1 1 48 48 ALA HA . . . 3.68 . . 2.0 . . . . . . . . . . . 7063 1 21 3JHNHA . 1 1 49 49 LEU H . . . . 1 1 49 49 LEU HA . . . 6.96 . . 2.0 . . . . . . . . . . . 7063 1 22 3JHNHA . 1 1 50 50 ILE H . . . . 1 1 50 50 ILE HA . . . 6.69 . . 2.0 . . . . . . . . . . . 7063 1 23 3JHNHA . 1 1 54 54 ARG H . . . . 1 1 54 54 ARG HA . . . 4.23 . . 2.0 . . . . . . . . . . . 7063 1 24 3JHNHA . 1 1 57 57 ASP H . . . . 1 1 57 57 ASP HA . . . 4.1 . . 2.0 . . . . . . . . . . . 7063 1 25 3JHNHA . 1 1 58 58 ARG H . . . . 1 1 58 58 ARG HA . . . 4.85 . . 2.0 . . . . . . . . . . . 7063 1 26 3JHNHA . 1 1 68 68 ASP H . . . . 1 1 68 68 ASP HA . . . 4.3 . . 2.0 . . . . . . . . . . . 7063 1 27 3JHNHA . 1 1 70 70 LYS H . . . . 1 1 70 70 LYS HA . . . 8.69 . . 2.0 . . . . . . . . . . . 7063 1 28 3JHNHA . 1 1 71 71 THR H . . . . 1 1 71 71 THR HA . . . 8.79 . . 2.0 . . . . . . . . . . . 7063 1 29 3JHNHA . 1 1 72 72 CYS H . . . . 1 1 72 72 CYS HA . . . 3.89 . . 2.0 . . . . . . . . . . . 7063 1 30 3JHNHA . 1 1 74 74 HIS H . . . . 1 1 74 74 HIS HA . . . 6.13 . . 2.0 . . . . . . . . . . . 7063 1 31 3JHNHA . 1 1 77 77 ASN H . . . . 1 1 77 77 ASN HA . . . 4.7 . . 2.0 . . . . . . . . . . . 7063 1 32 3JHNHA . 1 1 78 78 PHE H . . . . 1 1 78 78 PHE HA . . . 6.91 . . 2.0 . . . . . . . . . . . 7063 1 33 3JHNHA . 1 1 81 81 TYR H . . . . 1 1 81 81 TYR HA . . . 6.13 . . 2.0 . . . . . . . . . . . 7063 1 34 3JHNHA . 1 1 82 82 LEU H . . . . 1 1 82 82 LEU HA . . . 7.54 . . 2.0 . . . . . . . . . . . 7063 1 35 3JHNHA . 1 1 85 85 GLU H . . . . 1 1 85 85 GLU HA . . . 5.92 . . 2.0 . . . . . . . . . . . 7063 1 36 3JHNHA . 1 1 86 86 THR H . . . . 1 1 86 86 THR HA . . . 7.42 . . 2.0 . . . . . . . . . . . 7063 1 37 3JHNHA . 1 1 88 88 GLU H . . . . 1 1 88 88 GLU HA . . . 6.74 . . 2.0 . . . . . . . . . . . 7063 1 38 3JHNHA . 1 1 90 90 TYR H . . . . 1 1 90 90 TYR HA . . . 6.47 . . 2.0 . . . . . . . . . . . 7063 1 39 3JHNHA . 1 1 92 92 ILE H . . . . 1 1 92 92 ILE HA . . . 7.91 . . 2.0 . . . . . . . . . . . 7063 1 40 3JHNHA . 1 1 94 94 HIS H . . . . 1 1 94 94 HIS HA . . . 8.3 . . 2.0 . . . . . . . . . . . 7063 1 41 3JHNHA . 1 1 96 96 PHE H . . . . 1 1 96 96 PHE HA . . . 10.82 . . 2.0 . . . . . . . . . . . 7063 1 42 3JHNHA . 1 1 97 97 SER H . . . . 1 1 97 97 SER HA . . . 4.92 . . 2.0 . . . . . . . . . . . 7063 1 43 3JHNHA . 1 1 101 101 ALA H . . . . 1 1 101 101 ALA HA . . . 3.59 . . 2.0 . . . . . . . . . . . 7063 1 44 3JHNHA . 1 1 102 102 LEU H . . . . 1 1 102 102 LEU HA . . . 4.65 . . 2.0 . . . . . . . . . . . 7063 1 45 3JHNHA . 1 1 104 104 ARG H . . . . 1 1 104 104 ARG HA . . . 2.93 . . 2.0 . . . . . . . . . . . 7063 1 46 3JHNHA . 1 1 105 105 TYR H . . . . 1 1 105 105 TYR HA . . . 3.96 . . 2.0 . . . . . . . . . . . 7063 1 47 3JHNHA . 1 1 107 107 ASN H . . . . 1 1 107 107 ASN HA . . . 4.74 . . 2.0 . . . . . . . . . . . 7063 1 48 3JHNHA . 1 1 109 109 LEU H . . . . 1 1 109 109 LEU HA . . . 4.39 . . 2.0 . . . . . . . . . . . 7063 1 49 3JHNHA . 1 1 110 110 PHE H . . . . 1 1 110 110 PHE HA . . . 8.16 . . 2.0 . . . . . . . . . . . 7063 1 50 3JHNHA . 1 1 114 114 LYS H . . . . 1 1 114 114 LYS HA . . . 6.34 . . 2.0 . . . . . . . . . . . 7063 1 51 3JHNHA . 1 1 115 115 THR H . . . . 1 1 115 115 THR HA . . . 6.6 . . 2.0 . . . . . . . . . . . 7063 1 52 3JHNHA . 1 1 116 116 ASP H . . . . 1 1 116 116 ASP HA . . . 5.99 . . 2.0 . . . . . . . . . . . 7063 1 53 3JHNHA . 1 1 6 6 ASP H . . . . 1 1 6 6 ASP HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 54 3JHNHA . 1 1 9 9 ALA H . . . . 1 1 9 9 ALA HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 55 3JHNHA . 1 1 10 10 ARG H . . . . 1 1 10 10 ARG HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 56 3JHNHA . 1 1 12 12 LEU H . . . . 1 1 12 12 LEU HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 57 3JHNHA . 1 1 13 13 GLU H . . . . 1 1 13 13 GLU HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 58 3JHNHA . 1 1 56 56 LYS H . . . . 1 1 56 56 LYS HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 59 3JHNHA . 1 1 59 59 SER H . . . . 1 1 59 59 SER HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 60 3JHNHA . 1 1 60 60 SER H . . . . 1 1 60 60 SER HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 61 3JHNHA . 1 1 99 99 ARG H . . . . 1 1 99 99 ARG HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 62 3JHNHA . 1 1 100 100 ILE H . . . . 1 1 100 100 ILE HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 63 3JHNHA . 1 1 103 103 GLU H . . . . 1 1 103 103 GLU HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 64 3JHNHA . 1 1 106 106 LEU H . . . . 1 1 106 106 LEU HA . . . 2.00 . . 2.0 . . . . . . . . . . . 7063 1 65 3JHNHA . 1 1 69 69 ILE H . . . . 1 1 69 69 ILE HA . . . 8.00 . . 2.0 . . . . . . . . . . . 7063 1 stop_ save_