data_6501 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6501 _Entry.Title ; Backbone 1H, 15N, 13Ca and sidechain 13Cb chemical shift assignments of SARS-CoV Nsp9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-12 _Entry.Accession_date 2005-02-16 _Entry.Last_release_date 2005-03-17 _Entry.Original_release_date 2005-03-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Yunfei Hu . . . 6501 2 Ewen Lescop . . . 6501 3 Changwen Jin . . . 6501 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6501 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 189 6501 '15N chemical shifts' 97 6501 '1H chemical shifts' 97 6501 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 . . 2005-03-17 2005-02-12 original author . 6501 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6501 _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 'Backbone dynamics of SARS-CoV Nsp9 by NMR spectroscopy' _Citation.Status 'in preparation' _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 Yunfei Hu . . . 6501 1 2 Ewen Lescop . . . 6501 1 3 Changwen Jin . . . 6501 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6501 _Assembly.ID 1 _Assembly.Name 'Nsp9 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 protein 6501 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 'Nsp9, chain 1' 1 $Nsp9 . . yes native no no 1 . . 6501 1 2 'Nsp9, chain 2' 1 $Nsp9 . . yes native no no 1 . . 6501 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'virus genome replication and transcription' 6501 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nsp9 _Entity.Sf_category entity _Entity.Sf_framecode Nsp9 _Entity.Entry_ID 6501 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nsp9 _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 ; NNELSPVALRQMSCAAGTTQ TACTDDNALAYYNNSKGGRF VLALLSDHQDLKWARFPKSD GTGTIYTELEPPCRFVTDTP KGPKVKYLYFIKGLNNLNRG MVLGSLAATVRLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1QZ8 . "Crystal Structure Of Sars Coronavirus Nsp9" . . . . . 100.00 113 100.00 100.00 1.40e-77 . . . . 6501 1 2 no PDB 1UW7 . "Nsp9 Protein From Sars-Coronavirus" . . . . . 100.00 143 100.00 100.00 1.01e-77 . . . . 6501 1 3 no PDB 3EE7 . "Crystal Structure Of Sars-Cov Nsp9 G104e" . . . . . 100.00 121 99.12 99.12 7.62e-77 . . . . 6501 1 4 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 5 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 100.00 4382 100.00 100.00 1.51e-69 . . . . 6501 1 6 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 7 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 100.00 4382 100.00 100.00 1.51e-69 . . . . 6501 1 8 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 9 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 100.00 4382 100.00 100.00 1.51e-69 . . . . 6501 1 10 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 11 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 12 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 100.00 4382 100.00 100.00 1.66e-69 . . . . 6501 1 13 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 14 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 100.00 7073 100.00 100.00 2.88e-69 . . . . 6501 1 15 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 100.00 4382 100.00 100.00 1.51e-69 . . . . 6501 1 16 no REF NP_828867 . "nsp9-pp1a/pp1ab [SARS coronavirus]" . . . . . 100.00 113 100.00 100.00 1.40e-77 . . . . 6501 1 17 no REF YP_003858583 . "ORF1ab polyprotein [Bat coronavirus BM48-31/BGR/2008]" . . . . . 100.00 7064 99.12 99.12 1.65e-68 . . . . 6501 1 18 no SP P0C6F5 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4388 99.12 100.00 2.97e-69 . . . . 6501 1 19 no SP P0C6F8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4376 99.12 100.00 3.21e-69 . . . . 6501 1 20 no SP P0C6T7 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4380 99.12 100.00 6.00e-69 . . . . 6501 1 21 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4382 100.00 100.00 1.51e-69 . . . . 6501 1 22 no SP P0C6V9 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 100.00 7079 99.12 100.00 5.82e-69 . . . . 6501 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 . ASN . 6501 1 2 . ASN . 6501 1 3 . GLU . 6501 1 4 . LEU . 6501 1 5 . SER . 6501 1 6 . PRO . 6501 1 7 . VAL . 6501 1 8 . ALA . 6501 1 9 . LEU . 6501 1 10 . ARG . 6501 1 11 . GLN . 6501 1 12 . MET . 6501 1 13 . SER . 6501 1 14 . CYS . 6501 1 15 . ALA . 6501 1 16 . ALA . 6501 1 17 . GLY . 6501 1 18 . THR . 6501 1 19 . THR . 6501 1 20 . GLN . 6501 1 21 . THR . 6501 1 22 . ALA . 6501 1 23 . CYS . 6501 1 24 . THR . 6501 1 25 . ASP . 6501 1 26 . ASP . 6501 1 27 . ASN . 6501 1 28 . ALA . 6501 1 29 . LEU . 6501 1 30 . ALA . 6501 1 31 . TYR . 6501 1 32 . TYR . 6501 1 33 . ASN . 6501 1 34 . ASN . 6501 1 35 . SER . 6501 1 36 . LYS . 6501 1 37 . GLY . 6501 1 38 . GLY . 6501 1 39 . ARG . 6501 1 40 . PHE . 6501 1 41 . VAL . 6501 1 42 . LEU . 6501 1 43 . ALA . 6501 1 44 . LEU . 6501 1 45 . LEU . 6501 1 46 . SER . 6501 1 47 . ASP . 6501 1 48 . HIS . 6501 1 49 . GLN . 6501 1 50 . ASP . 6501 1 51 . LEU . 6501 1 52 . LYS . 6501 1 53 . TRP . 6501 1 54 . ALA . 6501 1 55 . ARG . 6501 1 56 . PHE . 6501 1 57 . PRO . 6501 1 58 . LYS . 6501 1 59 . SER . 6501 1 60 . ASP . 6501 1 61 . GLY . 6501 1 62 . THR . 6501 1 63 . GLY . 6501 1 64 . THR . 6501 1 65 . ILE . 6501 1 66 . TYR . 6501 1 67 . THR . 6501 1 68 . GLU . 6501 1 69 . LEU . 6501 1 70 . GLU . 6501 1 71 . PRO . 6501 1 72 . PRO . 6501 1 73 . CYS . 6501 1 74 . ARG . 6501 1 75 . PHE . 6501 1 76 . VAL . 6501 1 77 . THR . 6501 1 78 . ASP . 6501 1 79 . THR . 6501 1 80 . PRO . 6501 1 81 . LYS . 6501 1 82 . GLY . 6501 1 83 . PRO . 6501 1 84 . LYS . 6501 1 85 . VAL . 6501 1 86 . LYS . 6501 1 87 . TYR . 6501 1 88 . LEU . 6501 1 89 . TYR . 6501 1 90 . PHE . 6501 1 91 . ILE . 6501 1 92 . LYS . 6501 1 93 . GLY . 6501 1 94 . LEU . 6501 1 95 . ASN . 6501 1 96 . ASN . 6501 1 97 . LEU . 6501 1 98 . ASN . 6501 1 99 . ARG . 6501 1 100 . GLY . 6501 1 101 . MET . 6501 1 102 . VAL . 6501 1 103 . LEU . 6501 1 104 . GLY . 6501 1 105 . SER . 6501 1 106 . LEU . 6501 1 107 . ALA . 6501 1 108 . ALA . 6501 1 109 . THR . 6501 1 110 . VAL . 6501 1 111 . ARG . 6501 1 112 . LEU . 6501 1 113 . GLN . 6501 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 . ASN 1 1 6501 1 . ASN 2 2 6501 1 . GLU 3 3 6501 1 . LEU 4 4 6501 1 . SER 5 5 6501 1 . PRO 6 6 6501 1 . VAL 7 7 6501 1 . ALA 8 8 6501 1 . LEU 9 9 6501 1 . ARG 10 10 6501 1 . GLN 11 11 6501 1 . MET 12 12 6501 1 . SER 13 13 6501 1 . CYS 14 14 6501 1 . ALA 15 15 6501 1 . ALA 16 16 6501 1 . GLY 17 17 6501 1 . THR 18 18 6501 1 . THR 19 19 6501 1 . GLN 20 20 6501 1 . THR 21 21 6501 1 . ALA 22 22 6501 1 . CYS 23 23 6501 1 . THR 24 24 6501 1 . ASP 25 25 6501 1 . ASP 26 26 6501 1 . ASN 27 27 6501 1 . ALA 28 28 6501 1 . LEU 29 29 6501 1 . ALA 30 30 6501 1 . TYR 31 31 6501 1 . TYR 32 32 6501 1 . ASN 33 33 6501 1 . ASN 34 34 6501 1 . SER 35 35 6501 1 . LYS 36 36 6501 1 . GLY 37 37 6501 1 . GLY 38 38 6501 1 . ARG 39 39 6501 1 . PHE 40 40 6501 1 . VAL 41 41 6501 1 . LEU 42 42 6501 1 . ALA 43 43 6501 1 . LEU 44 44 6501 1 . LEU 45 45 6501 1 . SER 46 46 6501 1 . ASP 47 47 6501 1 . HIS 48 48 6501 1 . GLN 49 49 6501 1 . ASP 50 50 6501 1 . LEU 51 51 6501 1 . LYS 52 52 6501 1 . TRP 53 53 6501 1 . ALA 54 54 6501 1 . ARG 55 55 6501 1 . PHE 56 56 6501 1 . PRO 57 57 6501 1 . LYS 58 58 6501 1 . SER 59 59 6501 1 . ASP 60 60 6501 1 . GLY 61 61 6501 1 . THR 62 62 6501 1 . GLY 63 63 6501 1 . THR 64 64 6501 1 . ILE 65 65 6501 1 . TYR 66 66 6501 1 . THR 67 67 6501 1 . GLU 68 68 6501 1 . LEU 69 69 6501 1 . GLU 70 70 6501 1 . PRO 71 71 6501 1 . PRO 72 72 6501 1 . CYS 73 73 6501 1 . ARG 74 74 6501 1 . PHE 75 75 6501 1 . VAL 76 76 6501 1 . THR 77 77 6501 1 . ASP 78 78 6501 1 . THR 79 79 6501 1 . PRO 80 80 6501 1 . LYS 81 81 6501 1 . GLY 82 82 6501 1 . PRO 83 83 6501 1 . LYS 84 84 6501 1 . VAL 85 85 6501 1 . LYS 86 86 6501 1 . TYR 87 87 6501 1 . LEU 88 88 6501 1 . TYR 89 89 6501 1 . PHE 90 90 6501 1 . ILE 91 91 6501 1 . LYS 92 92 6501 1 . GLY 93 93 6501 1 . LEU 94 94 6501 1 . ASN 95 95 6501 1 . ASN 96 96 6501 1 . LEU 97 97 6501 1 . ASN 98 98 6501 1 . ARG 99 99 6501 1 . GLY 100 100 6501 1 . MET 101 101 6501 1 . VAL 102 102 6501 1 . LEU 103 103 6501 1 . GLY 104 104 6501 1 . SER 105 105 6501 1 . LEU 106 106 6501 1 . ALA 107 107 6501 1 . ALA 108 108 6501 1 . THR 109 109 6501 1 . VAL 110 110 6501 1 . ARG 111 111 6501 1 . LEU 112 112 6501 1 . GLN 113 113 6501 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 6501 _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 $Nsp9 . . virus no . SARS-CoV . . Viruses 'Not applicable' coronavirus 'Severe Acute Respiratory Syndrome associated coronavirus' . . . . . . . . . . . . . . . . . . . . . 6501 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 6501 _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 $Nsp9 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6501 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6501 _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 'Nsp9, chain 1' '[U-90% 13C; U-90% 15N; U-80% 2H]' 1 $assembly 1 $Nsp9 . . 0.8 . . mM 0.2 . . . 6501 1 2 'Nsp9, chain 2' '[U-90% 13C; U-90% 15N; U-80% 2H]' 1 $assembly 1 $Nsp9 . . 0.8 . . mM 0.2 . . . 6501 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6501 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 6501 1 temperature 298 0.2 K 6501 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6501 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6501 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' no 1 $1H-15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6501 1 2 HNCA no 1 $1H-15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6501 1 3 HN(CO)CA no 1 $1H-15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6501 1 4 HNCACB no 1 $1H-15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6501 1 5 HN(CO)CACB no 1 $1H-15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6501 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 6501 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N_HSQC _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 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6501 _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 . . . 1 $entry_citation . . 1 $entry_citation 6501 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6501 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6501 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6501 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6501 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 ASN H H 1 8.602 0.01 . 1 . . . . . ASN H . 6501 1 2 . 1 1 1 1 ASN CA C 13 53.2 0.4 . 1 . . . . . ASN CA . 6501 1 3 . 1 1 1 1 ASN CB C 13 38.4 0.4 . 1 . . . . . ASN CB . 6501 1 4 . 1 1 1 1 ASN N N 15 120.5 0.1 . 1 . . . . . ASN N . 6501 1 5 . 1 1 2 2 ASN H H 1 8.487 0.01 . 1 . . . . . ASN H . 6501 1 6 . 1 1 2 2 ASN CA C 13 53.2 0.4 . 1 . . . . . ASN CA . 6501 1 7 . 1 1 2 2 ASN CB C 13 38.3 0.4 . 1 . . . . . ASN CB . 6501 1 8 . 1 1 2 2 ASN N N 15 119.8 0.1 . 1 . . . . . ASN N . 6501 1 9 . 1 1 3 3 GLU H H 1 8.400 0.01 . 1 . . . . . GLU H . 6501 1 10 . 1 1 3 3 GLU CA C 13 56.4 0.4 . 1 . . . . . GLU CA . 6501 1 11 . 1 1 3 3 GLU CB C 13 29.5 0.4 . 1 . . . . . GLU CB . 6501 1 12 . 1 1 3 3 GLU N N 15 121.4 0.1 . 1 . . . . . GLU N . 6501 1 13 . 1 1 4 4 LEU H H 1 8.239 0.01 . 1 . . . . . LEU H . 6501 1 14 . 1 1 4 4 LEU CA C 13 54.6 0.4 . 1 . . . . . LEU CA . 6501 1 15 . 1 1 4 4 LEU CB C 13 41.5 0.4 . 1 . . . . . LEU CB . 6501 1 16 . 1 1 4 4 LEU N N 15 123.1 0.1 . 1 . . . . . LEU N . 6501 1 17 . 1 1 5 5 SER H H 1 8.264 0.01 . 1 . . . . . SER H . 6501 1 18 . 1 1 5 5 SER CA C 13 55.9 0.4 . 1 . . . . . SER CA . 6501 1 19 . 1 1 5 5 SER CB C 13 63.0 0.4 . 1 . . . . . SER CB . 6501 1 20 . 1 1 5 5 SER N N 15 118.4 0.1 . 1 . . . . . SER N . 6501 1 21 . 1 1 6 6 PRO CA C 13 63.3 0.4 . 1 . . . . . PRO CA . 6501 1 22 . 1 1 7 7 VAL H H 1 8.091 0.01 . 1 . . . . . VAL H . 6501 1 23 . 1 1 7 7 VAL CA C 13 62.0 0.4 . 1 . . . . . VAL CA . 6501 1 24 . 1 1 7 7 VAL CB C 13 31.8 0.4 . 1 . . . . . VAL CB . 6501 1 25 . 1 1 7 7 VAL N N 15 120.2 0.1 . 1 . . . . . VAL N . 6501 1 26 . 1 1 8 8 ALA H H 1 8.303 0.01 . 1 . . . . . ALA H . 6501 1 27 . 1 1 8 8 ALA CA C 13 56.4 0.4 . 9 . . . . . ALA CA . 6501 1 28 . 1 1 8 8 ALA CB C 13 18.6 0.4 . 1 . . . . . ALA CB . 6501 1 29 . 1 1 8 8 ALA N N 15 128.1 0.1 . 1 . . . . . ALA N . 6501 1 30 . 1 1 9 9 LEU H H 1 8.279 0.01 . 1 . . . . . LEU H . 6501 1 31 . 1 1 9 9 LEU CA C 13 54.4 0.4 . 1 . . . . . LEU CA . 6501 1 32 . 1 1 9 9 LEU N N 15 123.3 0.1 . 1 . . . . . LEU N . 6501 1 33 . 1 1 10 10 ARG H H 1 8.423 0.01 . 1 . . . . . ARG H . 6501 1 34 . 1 1 10 10 ARG CA C 13 53.7 0.4 . 1 . . . . . ARG CA . 6501 1 35 . 1 1 10 10 ARG CB C 13 31.6 0.4 . 9 . . . . . ARG CB . 6501 1 36 . 1 1 10 10 ARG N N 15 124.0 0.1 . 1 . . . . . ARG N . 6501 1 37 . 1 1 11 11 GLN H H 1 8.286 0.01 . 1 . . . . . GLN H . 6501 1 38 . 1 1 11 11 GLN CA C 13 53.6 0.4 . 1 . . . . . GLN CA . 6501 1 39 . 1 1 11 11 GLN CB C 13 32.2 0.4 . 1 . . . . . GLN CB . 6501 1 40 . 1 1 11 11 GLN N N 15 116.4 0.1 . 1 . . . . . GLN N . 6501 1 41 . 1 1 12 12 MET H H 1 9.115 0.01 . 1 . . . . . MET H . 6501 1 42 . 1 1 12 12 MET CA C 13 54.3 0.4 . 1 . . . . . MET CA . 6501 1 43 . 1 1 12 12 MET CB C 13 35.2 0.4 . 1 . . . . . MET CB . 6501 1 44 . 1 1 12 12 MET N N 15 119.3 0.1 . 1 . . . . . MET N . 6501 1 45 . 1 1 13 13 SER H H 1 8.895 0.01 . 1 . . . . . SER H . 6501 1 46 . 1 1 13 13 SER CA C 13 58.7 0.4 . 1 . . . . . SER CA . 6501 1 47 . 1 1 13 13 SER CB C 13 63.5 0.4 . 1 . . . . . SER CB . 6501 1 48 . 1 1 13 13 SER N N 15 119.5 0.1 . 1 . . . . . SER N . 6501 1 49 . 1 1 14 14 CYS H H 1 8.769 0.01 . 1 . . . . . CYS H . 6501 1 50 . 1 1 14 14 CYS CA C 13 56.7 0.4 . 1 . . . . . CYS CA . 6501 1 51 . 1 1 14 14 CYS CB C 13 31.4 0.4 . 1 . . . . . CYS CB . 6501 1 52 . 1 1 14 14 CYS N N 15 119.9 0.1 . 1 . . . . . CYS N . 6501 1 53 . 1 1 15 15 ALA H H 1 7.825 0.01 . 1 . . . . . ALA H . 6501 1 54 . 1 1 15 15 ALA CA C 13 50.2 0.4 . 1 . . . . . ALA CA . 6501 1 55 . 1 1 15 15 ALA CB C 13 20.5 0.4 . 1 . . . . . ALA CB . 6501 1 56 . 1 1 15 15 ALA N N 15 122.5 0.1 . 1 . . . . . ALA N . 6501 1 57 . 1 1 16 16 ALA H H 1 8.813 0.01 . 1 . . . . . ALA H . 6501 1 58 . 1 1 16 16 ALA CA C 13 50.8 0.4 . 1 . . . . . ALA CA . 6501 1 59 . 1 1 16 16 ALA CB C 13 23.9 0.4 . 1 . . . . . ALA CB . 6501 1 60 . 1 1 16 16 ALA N N 15 123.0 0.1 . 1 . . . . . ALA N . 6501 1 61 . 1 1 17 17 GLY H H 1 8.956 0.01 . 1 . . . . . GLY H . 6501 1 62 . 1 1 17 17 GLY CA C 13 45.3 0.4 . 1 . . . . . GLY CA . 6501 1 63 . 1 1 17 17 GLY N N 15 107.7 0.1 . 1 . . . . . GLY N . 6501 1 64 . 1 1 18 18 THR H H 1 9.107 0.01 . 1 . . . . . THR H . 6501 1 65 . 1 1 18 18 THR CA C 13 64.5 0.4 . 1 . . . . . THR CA . 6501 1 66 . 1 1 18 18 THR N N 15 116.6 0.1 . 1 . . . . . THR N . 6501 1 67 . 1 1 19 19 THR H H 1 7.277 0.01 . 1 . . . . . THR H . 6501 1 68 . 1 1 19 19 THR CA C 13 59.0 0.4 . 1 . . . . . THR CA . 6501 1 69 . 1 1 19 19 THR CB C 13 71.8 0.4 . 1 . . . . . THR CB . 6501 1 70 . 1 1 19 19 THR N N 15 109.4 0.1 . 1 . . . . . THR N . 6501 1 71 . 1 1 20 20 GLN H H 1 8.543 0.01 . 1 . . . . . GLN H . 6501 1 72 . 1 1 20 20 GLN CA C 13 59.2 0.4 . 1 . . . . . GLN CA . 6501 1 73 . 1 1 20 20 GLN CB C 13 26.4 0.4 . 1 . . . . . GLN CB . 6501 1 74 . 1 1 20 20 GLN N N 15 119.8 0.1 . 1 . . . . . GLN N . 6501 1 75 . 1 1 21 21 THR H H 1 7.515 0.01 . 1 . . . . . THR H . 6501 1 76 . 1 1 21 21 THR CA C 13 62.7 0.4 . 1 . . . . . THR CA . 6501 1 77 . 1 1 21 21 THR CB C 13 68.5 0.4 . 1 . . . . . THR CB . 6501 1 78 . 1 1 21 21 THR N N 15 107.7 0.1 . 1 . . . . . THR N . 6501 1 79 . 1 1 22 22 ALA H H 1 7.316 0.01 . 1 . . . . . ALA H . 6501 1 80 . 1 1 22 22 ALA CA C 13 51.4 0.4 . 1 . . . . . ALA CA . 6501 1 81 . 1 1 22 22 ALA CB C 13 18.7 0.4 . 1 . . . . . ALA CB . 6501 1 82 . 1 1 22 22 ALA N N 15 124.1 0.1 . 1 . . . . . ALA N . 6501 1 83 . 1 1 23 23 CYS H H 1 7.680 0.01 . 1 . . . . . CYS H . 6501 1 84 . 1 1 23 23 CYS CA C 13 59.4 0.4 . 1 . . . . . CYS CA . 6501 1 85 . 1 1 23 23 CYS N N 15 119.6 0.1 . 1 . . . . . CYS N . 6501 1 86 . 1 1 24 24 THR H H 1 8.232 0.01 . 1 . . . . . THR H . 6501 1 87 . 1 1 24 24 THR CA C 13 61.6 0.4 . 1 . . . . . THR CA . 6501 1 88 . 1 1 24 24 THR CB C 13 69.8 0.4 . 1 . . . . . THR CB . 6501 1 89 . 1 1 24 24 THR N N 15 119.4 0.1 . 1 . . . . . THR N . 6501 1 90 . 1 1 25 25 ASP H H 1 8.253 0.01 . 1 . . . . . ASP H . 6501 1 91 . 1 1 25 25 ASP CA C 13 53.9 0.4 . 1 . . . . . ASP CA . 6501 1 92 . 1 1 25 25 ASP CB C 13 42.1 0.4 . 1 . . . . . ASP CB . 6501 1 93 . 1 1 25 25 ASP N N 15 122.3 0.1 . 1 . . . . . ASP N . 6501 1 94 . 1 1 26 26 ASP H H 1 8.655 0.01 . 1 . . . . . ASP H . 6501 1 95 . 1 1 26 26 ASP CA C 13 55.0 0.4 . 1 . . . . . ASP CA . 6501 1 96 . 1 1 26 26 ASP CB C 13 41.9 0.4 . 1 . . . . . ASP CB . 6501 1 97 . 1 1 26 26 ASP N N 15 121.2 0.1 . 1 . . . . . ASP N . 6501 1 98 . 1 1 27 27 ASN H H 1 8.652 0.01 . 1 . . . . . ASN H . 6501 1 99 . 1 1 27 27 ASN CA C 13 52.2 0.4 . 1 . . . . . ASN CA . 6501 1 100 . 1 1 27 27 ASN CB C 13 39.1 0.4 . 9 . . . . . ASN CB . 6501 1 101 . 1 1 27 27 ASN N N 15 121.1 0.1 . 1 . . . . . ASN N . 6501 1 102 . 1 1 28 28 ALA H H 1 8.313 0.01 . 1 . . . . . ALA H . 6501 1 103 . 1 1 28 28 ALA CA C 13 51.2 0.4 . 1 . . . . . ALA CA . 6501 1 104 . 1 1 28 28 ALA CB C 13 20.9 0.4 . 1 . . . . . ALA CB . 6501 1 105 . 1 1 28 28 ALA N N 15 122.8 0.1 . 1 . . . . . ALA N . 6501 1 106 . 1 1 29 29 LEU H H 1 8.529 0.01 . 1 . . . . . LEU H . 6501 1 107 . 1 1 29 29 LEU CA C 13 53.4 0.4 . 1 . . . . . LEU CA . 6501 1 108 . 1 1 29 29 LEU CB C 13 44.3 0.4 . 1 . . . . . LEU CB . 6501 1 109 . 1 1 29 29 LEU N N 15 121.7 0.1 . 1 . . . . . LEU N . 6501 1 110 . 1 1 30 30 ALA H H 1 9.612 0.01 . 1 . . . . . ALA H . 6501 1 111 . 1 1 30 30 ALA CA C 13 49.9 0.4 . 1 . . . . . ALA CA . 6501 1 112 . 1 1 30 30 ALA CB C 13 20.5 0.4 . 1 . . . . . ALA CB . 6501 1 113 . 1 1 30 30 ALA N N 15 126.3 0.1 . 1 . . . . . ALA N . 6501 1 114 . 1 1 31 31 TYR H H 1 9.117 0.01 . 1 . . . . . TYR H . 6501 1 115 . 1 1 31 31 TYR CA C 13 56.7 0.4 . 1 . . . . . TYR CA . 6501 1 116 . 1 1 31 31 TYR CB C 13 40.2 0.4 . 1 . . . . . TYR CB . 6501 1 117 . 1 1 31 31 TYR N N 15 121.1 0.1 . 1 . . . . . TYR N . 6501 1 118 . 1 1 32 32 TYR H H 1 9.315 0.01 . 1 . . . . . TYR H . 6501 1 119 . 1 1 32 32 TYR CA C 13 55.1 0.4 . 1 . . . . . TYR CA . 6501 1 120 . 1 1 32 32 TYR CB C 13 42.5 0.4 . 1 . . . . . TYR CB . 6501 1 121 . 1 1 32 32 TYR N N 15 120.7 0.1 . 1 . . . . . TYR N . 6501 1 122 . 1 1 33 33 ASN H H 1 8.937 0.01 . 1 . . . . . ASN H . 6501 1 123 . 1 1 33 33 ASN CA C 13 51.0 0.4 . 1 . . . . . ASN CA . 6501 1 124 . 1 1 33 33 ASN CB C 13 41.1 0.4 . 1 . . . . . ASN CB . 6501 1 125 . 1 1 33 33 ASN N N 15 117.6 0.1 . 1 . . . . . ASN N . 6501 1 126 . 1 1 34 34 ASN H H 1 8.860 0.01 . 1 . . . . . ASN H . 6501 1 127 . 1 1 34 34 ASN CA C 13 52.8 0.4 . 1 . . . . . ASN CA . 6501 1 128 . 1 1 34 34 ASN CB C 13 39.1 0.4 . 1 . . . . . ASN CB . 6501 1 129 . 1 1 34 34 ASN N N 15 122.5 0.1 . 1 . . . . . ASN N . 6501 1 130 . 1 1 35 35 SER H H 1 8.292 0.01 . 1 . . . . . SER H . 6501 1 131 . 1 1 35 35 SER CA C 13 58.0 0.4 . 1 . . . . . SER CA . 6501 1 132 . 1 1 35 35 SER CB C 13 64.8 0.4 . 1 . . . . . SER CB . 6501 1 133 . 1 1 35 35 SER N N 15 118.2 0.1 . 1 . . . . . SER N . 6501 1 134 . 1 1 36 36 LYS H H 1 8.535 0.01 . 1 . . . . . LYS H . 6501 1 135 . 1 1 36 36 LYS CA C 13 58.4 0.4 . 1 . . . . . LYS CA . 6501 1 136 . 1 1 36 36 LYS N N 15 118.7 0.1 . 1 . . . . . LYS N . 6501 1 137 . 1 1 37 37 GLY H H 1 8.427 0.01 . 1 . . . . . GLY H . 6501 1 138 . 1 1 37 37 GLY CA C 13 44.8 0.4 . 1 . . . . . GLY CA . 6501 1 139 . 1 1 37 37 GLY N N 15 111.1 0.1 . 1 . . . . . GLY N . 6501 1 140 . 1 1 38 38 GLY H H 1 7.731 0.01 . 1 . . . . . GLY H . 6501 1 141 . 1 1 38 38 GLY CA C 13 44.0 0.4 . 1 . . . . . GLY CA . 6501 1 142 . 1 1 38 38 GLY N N 15 109.4 0.1 . 1 . . . . . GLY N . 6501 1 143 . 1 1 39 39 ARG H H 1 8.366 0.01 . 1 . . . . . ARG H . 6501 1 144 . 1 1 39 39 ARG CA C 13 56.3 0.4 . 1 . . . . . ARG CA . 6501 1 145 . 1 1 39 39 ARG CB C 13 29.7 0.4 . 1 . . . . . ARG CB . 6501 1 146 . 1 1 39 39 ARG N N 15 121.6 0.1 . 1 . . . . . ARG N . 6501 1 147 . 1 1 40 40 PHE H H 1 8.967 0.01 . 1 . . . . . PHE H . 6501 1 148 . 1 1 40 40 PHE CA C 13 56.0 0.4 . 1 . . . . . PHE CA . 6501 1 149 . 1 1 40 40 PHE CB C 13 39.2 0.4 . 1 . . . . . PHE CB . 6501 1 150 . 1 1 40 40 PHE N N 15 127.2 0.1 . 1 . . . . . PHE N . 6501 1 151 . 1 1 41 41 VAL H H 1 8.073 0.01 . 1 . . . . . VAL H . 6501 1 152 . 1 1 41 41 VAL CA C 13 63.0 0.4 . 1 . . . . . VAL CA . 6501 1 153 . 1 1 41 41 VAL CB C 13 31.0 0.4 . 1 . . . . . VAL CB . 6501 1 154 . 1 1 41 41 VAL N N 15 127.7 0.1 . 1 . . . . . VAL N . 6501 1 155 . 1 1 42 42 LEU H H 1 8.746 0.01 . 1 . . . . . LEU H . 6501 1 156 . 1 1 42 42 LEU CA C 13 56.1 0.4 . 1 . . . . . LEU CA . 6501 1 157 . 1 1 42 42 LEU CB C 13 44.5 0.4 . 1 . . . . . LEU CB . 6501 1 158 . 1 1 42 42 LEU N N 15 124.1 0.1 . 1 . . . . . LEU N . 6501 1 159 . 1 1 43 43 ALA H H 1 7.511 0.01 . 1 . . . . . ALA H . 6501 1 160 . 1 1 43 43 ALA CA C 13 50.6 0.4 . 1 . . . . . ALA CA . 6501 1 161 . 1 1 43 43 ALA CB C 13 23.6 0.4 . 1 . . . . . ALA CB . 6501 1 162 . 1 1 43 43 ALA N N 15 115.5 0.1 . 1 . . . . . ALA N . 6501 1 163 . 1 1 44 44 LEU H H 1 9.497 0.01 . 1 . . . . . LEU H . 6501 1 164 . 1 1 44 44 LEU CA C 13 53.5 0.4 . 1 . . . . . LEU CA . 6501 1 165 . 1 1 44 44 LEU CB C 13 46.3 0.4 . 1 . . . . . LEU CB . 6501 1 166 . 1 1 44 44 LEU N N 15 121.1 0.1 . 1 . . . . . LEU N . 6501 1 167 . 1 1 45 45 LEU H H 1 9.650 0.01 . 1 . . . . . LEU H . 6501 1 168 . 1 1 45 45 LEU CA C 13 53.2 0.4 . 1 . . . . . LEU CA . 6501 1 169 . 1 1 45 45 LEU CB C 13 46.2 0.4 . 1 . . . . . LEU CB . 6501 1 170 . 1 1 45 45 LEU N N 15 123.3 0.1 . 1 . . . . . LEU N . 6501 1 171 . 1 1 46 46 SER H H 1 9.466 0.01 . 1 . . . . . SER H . 6501 1 172 . 1 1 46 46 SER CA C 13 56.5 0.4 . 1 . . . . . SER CA . 6501 1 173 . 1 1 46 46 SER CB C 13 65.7 0.4 . 1 . . . . . SER CB . 6501 1 174 . 1 1 46 46 SER N N 15 118.5 0.1 . 1 . . . . . SER N . 6501 1 175 . 1 1 47 47 ASP H H 1 9.127 0.01 . 1 . . . . . ASP H . 6501 1 176 . 1 1 47 47 ASP CA C 13 55.9 0.4 . 1 . . . . . ASP CA . 6501 1 177 . 1 1 47 47 ASP CB C 13 40.8 0.4 . 1 . . . . . ASP CB . 6501 1 178 . 1 1 47 47 ASP N N 15 125.4 0.1 . 1 . . . . . ASP N . 6501 1 179 . 1 1 48 48 HIS H H 1 8.705 0.01 . 1 . . . . . HIS H . 6501 1 180 . 1 1 48 48 HIS CA C 13 55.9 0.4 . 1 . . . . . HIS CA . 6501 1 181 . 1 1 48 48 HIS CB C 13 31.0 0.4 . 1 . . . . . HIS CB . 6501 1 182 . 1 1 48 48 HIS N N 15 118.4 0.1 . 1 . . . . . HIS N . 6501 1 183 . 1 1 49 49 GLN H H 1 8.138 0.01 . 1 . . . . . GLN H . 6501 1 184 . 1 1 49 49 GLN CA C 13 56.2 0.4 . 9 . . . . . GLN CA . 6501 1 185 . 1 1 49 49 GLN CB C 13 29.4 0.4 . 1 . . . . . GLN CB . 6501 1 186 . 1 1 49 49 GLN N N 15 120.6 0.1 . 1 . . . . . GLN N . 6501 1 187 . 1 1 50 50 ASP H H 1 8.401 0.01 . 1 . . . . . ASP H . 6501 1 188 . 1 1 50 50 ASP CA C 13 52.9 0.4 . 1 . . . . . ASP CA . 6501 1 189 . 1 1 50 50 ASP CB C 13 39.7 0.4 . 1 . . . . . ASP CB . 6501 1 190 . 1 1 50 50 ASP N N 15 118.3 0.1 . 1 . . . . . ASP N . 6501 1 191 . 1 1 51 51 LEU H H 1 7.790 0.01 . 1 . . . . . LEU H . 6501 1 192 . 1 1 51 51 LEU CA C 13 55.4 0.4 . 1 . . . . . LEU CA . 6501 1 193 . 1 1 51 51 LEU CB C 13 40.2 0.4 . 1 . . . . . LEU CB . 6501 1 194 . 1 1 51 51 LEU N N 15 117.6 0.1 . 1 . . . . . LEU N . 6501 1 195 . 1 1 52 52 LYS H H 1 8.098 0.01 . 1 . . . . . LYS H . 6501 1 196 . 1 1 52 52 LYS CA C 13 56.2 0.4 . 1 . . . . . LYS CA . 6501 1 197 . 1 1 52 52 LYS CB C 13 36.3 0.4 . 1 . . . . . LYS CB . 6501 1 198 . 1 1 52 52 LYS N N 15 118.6 0.1 . 1 . . . . . LYS N . 6501 1 199 . 1 1 53 53 TRP H H 1 7.952 0.01 . 1 . . . . . TRP H . 6501 1 200 . 1 1 53 53 TRP CA C 13 55.3 0.4 . 1 . . . . . TRP CA . 6501 1 201 . 1 1 53 53 TRP CB C 13 34.0 0.4 . 1 . . . . . TRP CB . 6501 1 202 . 1 1 53 53 TRP N N 15 117.9 0.1 . 1 . . . . . TRP N . 6501 1 203 . 1 1 54 54 ALA H H 1 9.127 0.01 . 1 . . . . . ALA H . 6501 1 204 . 1 1 54 54 ALA CA C 13 50.2 0.4 . 1 . . . . . ALA CA . 6501 1 205 . 1 1 54 54 ALA CB C 13 23.4 0.4 . 1 . . . . . ALA CB . 6501 1 206 . 1 1 54 54 ALA N N 15 122.1 0.1 . 1 . . . . . ALA N . 6501 1 207 . 1 1 55 55 ARG H H 1 8.189 0.01 . 1 . . . . . ARG H . 6501 1 208 . 1 1 55 55 ARG CA C 13 53.8 0.4 . 1 . . . . . ARG CA . 6501 1 209 . 1 1 55 55 ARG CB C 13 32.9 0.4 . 1 . . . . . ARG CB . 6501 1 210 . 1 1 55 55 ARG N N 15 121.3 0.1 . 1 . . . . . ARG N . 6501 1 211 . 1 1 56 56 PHE H H 1 8.681 0.01 . 1 . . . . . PHE H . 6501 1 212 . 1 1 56 56 PHE CA C 13 54.1 0.4 . 1 . . . . . PHE CA . 6501 1 213 . 1 1 56 56 PHE CB C 13 40.2 0.4 . 1 . . . . . PHE CB . 6501 1 214 . 1 1 56 56 PHE N N 15 122.9 0.1 . 1 . . . . . PHE N . 6501 1 215 . 1 1 57 57 PRO CA C 13 63.1 0.4 . 1 . . . . . PRO CA . 6501 1 216 . 1 1 57 57 PRO CB C 13 31.3 0.4 . 1 . . . . . PRO CB . 6501 1 217 . 1 1 58 58 LYS H H 1 7.993 0.01 . 1 . . . . . LYS H . 6501 1 218 . 1 1 58 58 LYS CA C 13 57.1 0.4 . 1 . . . . . LYS CA . 6501 1 219 . 1 1 58 58 LYS CB C 13 31.0 0.4 . 1 . . . . . LYS CB . 6501 1 220 . 1 1 58 58 LYS N N 15 127.3 0.1 . 1 . . . . . LYS N . 6501 1 221 . 1 1 59 59 SER CA C 13 60.6 0.4 . 1 . . . . . SER CA . 6501 1 222 . 1 1 60 60 ASP H H 1 7.780 0.01 . 1 . . . . . ASP H . 6501 1 223 . 1 1 60 60 ASP CA C 13 53.0 0.4 . 1 . . . . . ASP CA . 6501 1 224 . 1 1 60 60 ASP CB C 13 40.1 0.4 . 1 . . . . . ASP CB . 6501 1 225 . 1 1 60 60 ASP N N 15 118.9 0.1 . 1 . . . . . ASP N . 6501 1 226 . 1 1 61 61 GLY H H 1 7.988 0.01 . 1 . . . . . GLY H . 6501 1 227 . 1 1 61 61 GLY CA C 13 45.5 0.4 . 1 . . . . . GLY CA . 6501 1 228 . 1 1 61 61 GLY N N 15 107.2 0.1 . 1 . . . . . GLY N . 6501 1 229 . 1 1 62 62 THR H H 1 8.025 0.01 . 1 . . . . . THR H . 6501 1 230 . 1 1 62 62 THR CA C 13 62.0 0.4 . 1 . . . . . THR CA . 6501 1 231 . 1 1 62 62 THR CB C 13 69.9 0.4 . 1 . . . . . THR CB . 6501 1 232 . 1 1 62 62 THR N N 15 110.9 0.1 . 1 . . . . . THR N . 6501 1 233 . 1 1 63 63 GLY H H 1 7.896 0.01 . 1 . . . . . GLY H . 6501 1 234 . 1 1 63 63 GLY CA C 13 44.6 0.4 . 1 . . . . . GLY CA . 6501 1 235 . 1 1 63 63 GLY N N 15 108.8 0.1 . 1 . . . . . GLY N . 6501 1 236 . 1 1 64 64 THR H H 1 8.530 0.01 . 1 . . . . . THR H . 6501 1 237 . 1 1 64 64 THR CA C 13 61.4 0.4 . 1 . . . . . THR CA . 6501 1 238 . 1 1 64 64 THR CB C 13 71.6 0.4 . 1 . . . . . THR CB . 6501 1 239 . 1 1 64 64 THR N N 15 116.5 0.1 . 1 . . . . . THR N . 6501 1 240 . 1 1 65 65 ILE H H 1 8.910 0.01 . 1 . . . . . ILE H . 6501 1 241 . 1 1 65 65 ILE CA C 13 59.5 0.4 . 1 . . . . . ILE CA . 6501 1 242 . 1 1 65 65 ILE CB C 13 40.1 0.4 . 1 . . . . . ILE CB . 6501 1 243 . 1 1 65 65 ILE N N 15 124.1 0.1 . 1 . . . . . ILE N . 6501 1 244 . 1 1 66 66 TYR H H 1 8.544 0.01 . 1 . . . . . TYR H . 6501 1 245 . 1 1 66 66 TYR CA C 13 56.7 0.4 . 1 . . . . . TYR CA . 6501 1 246 . 1 1 66 66 TYR CB C 13 40.5 0.4 . 1 . . . . . TYR CB . 6501 1 247 . 1 1 66 66 TYR N N 15 122.8 0.1 . 1 . . . . . TYR N . 6501 1 248 . 1 1 67 67 THR H H 1 9.456 0.01 . 1 . . . . . THR H . 6501 1 249 . 1 1 67 67 THR CA C 13 60.8 0.4 . 1 . . . . . THR CA . 6501 1 250 . 1 1 67 67 THR CB C 13 71.4 0.4 . 1 . . . . . THR CB . 6501 1 251 . 1 1 67 67 THR N N 15 119.1 0.1 . 1 . . . . . THR N . 6501 1 252 . 1 1 68 68 GLU H H 1 8.957 0.01 . 1 . . . . . GLU H . 6501 1 253 . 1 1 68 68 GLU CA C 13 56.0 0.4 . 1 . . . . . GLU CA . 6501 1 254 . 1 1 68 68 GLU CB C 13 29.9 0.4 . 1 . . . . . GLU CB . 6501 1 255 . 1 1 68 68 GLU N N 15 130.4 0.1 . 1 . . . . . GLU N . 6501 1 256 . 1 1 69 69 LEU H H 1 7.313 0.01 . 1 . . . . . LEU H . 6501 1 257 . 1 1 69 69 LEU CA C 13 52.8 0.4 . 1 . . . . . LEU CA . 6501 1 258 . 1 1 69 69 LEU CB C 13 42.8 0.4 . 1 . . . . . LEU CB . 6501 1 259 . 1 1 69 69 LEU N N 15 122.3 0.1 . 1 . . . . . LEU N . 6501 1 260 . 1 1 70 70 GLU H H 1 8.621 0.01 . 1 . . . . . GLU H . 6501 1 261 . 1 1 70 70 GLU CA C 13 55.1 0.4 . 1 . . . . . GLU CA . 6501 1 262 . 1 1 70 70 GLU CB C 13 28.0 0.4 . 1 . . . . . GLU CB . 6501 1 263 . 1 1 70 70 GLU N N 15 121.4 0.1 . 1 . . . . . GLU N . 6501 1 264 . 1 1 72 72 PRO CA C 13 63.3 0.4 . 1 . . . . . PRO CA . 6501 1 265 . 1 1 73 73 CYS H H 1 8.364 0.01 . 1 . . . . . CYS H . 6501 1 266 . 1 1 73 73 CYS CA C 13 56.8 0.4 . 1 . . . . . CYS CA . 6501 1 267 . 1 1 73 73 CYS CB C 13 32.9 0.4 . 1 . . . . . CYS CB . 6501 1 268 . 1 1 73 73 CYS N N 15 122.4 0.1 . 1 . . . . . CYS N . 6501 1 269 . 1 1 74 74 ARG H H 1 8.685 0.01 . 1 . . . . . ARG H . 6501 1 270 . 1 1 74 74 ARG CA C 13 56.3 0.4 . 1 . . . . . ARG CA . 6501 1 271 . 1 1 74 74 ARG N N 15 126.2 0.1 . 1 . . . . . ARG N . 6501 1 272 . 1 1 76 76 VAL H H 1 8.541 0.01 . 1 . . . . . VAL H . 6501 1 273 . 1 1 76 76 VAL CA C 13 61.5 0.4 . 1 . . . . . VAL CA . 6501 1 274 . 1 1 76 76 VAL N N 15 123.7 0.1 . 1 . . . . . VAL N . 6501 1 275 . 1 1 77 77 THR H H 1 8.595 0.01 . 1 . . . . . THR H . 6501 1 276 . 1 1 77 77 THR CA C 13 59.1 0.4 . 1 . . . . . THR CA . 6501 1 277 . 1 1 77 77 THR CB C 13 70.9 0.4 . 1 . . . . . THR CB . 6501 1 278 . 1 1 77 77 THR N N 15 119.9 0.1 . 1 . . . . . THR N . 6501 1 279 . 1 1 78 78 ASP H H 1 8.564 0.01 . 1 . . . . . ASP H . 6501 1 280 . 1 1 78 78 ASP CA C 13 54.5 0.4 . 1 . . . . . ASP CA . 6501 1 281 . 1 1 78 78 ASP CB C 13 41.8 0.4 . 1 . . . . . ASP CB . 6501 1 282 . 1 1 78 78 ASP N N 15 124.6 0.1 . 1 . . . . . ASP N . 6501 1 283 . 1 1 79 79 THR H H 1 7.568 0.01 . 1 . . . . . THR H . 6501 1 284 . 1 1 79 79 THR CA C 13 59.7 0.4 . 1 . . . . . THR CA . 6501 1 285 . 1 1 79 79 THR CB C 13 70.7 0.4 . 1 . . . . . THR CB . 6501 1 286 . 1 1 79 79 THR N N 15 115.1 0.1 . 1 . . . . . THR N . 6501 1 287 . 1 1 80 80 PRO CA C 13 64.7 0.4 . 1 . . . . . PRO CA . 6501 1 288 . 1 1 80 80 PRO CB C 13 31.4 0.4 . 1 . . . . . PRO CB . 6501 1 289 . 1 1 81 81 LYS H H 1 7.667 0.01 . 1 . . . . . LYS H . 6501 1 290 . 1 1 81 81 LYS CA C 13 54.6 0.4 . 1 . . . . . LYS CA . 6501 1 291 . 1 1 81 81 LYS CB C 13 31.7 0.4 . 1 . . . . . LYS CB . 6501 1 292 . 1 1 81 81 LYS N N 15 114.8 0.1 . 1 . . . . . LYS N . 6501 1 293 . 1 1 82 82 GLY H H 1 7.748 0.01 . 1 . . . . . GLY H . 6501 1 294 . 1 1 82 82 GLY CA C 13 43.5 0.4 . 1 . . . . . GLY CA . 6501 1 295 . 1 1 82 82 GLY N N 15 110.1 0.1 . 1 . . . . . GLY N . 6501 1 296 . 1 1 83 83 PRO CA C 13 62.9 0.4 . 1 . . . . . PRO CA . 6501 1 297 . 1 1 83 83 PRO CB C 13 31.3 0.4 . 1 . . . . . PRO CB . 6501 1 298 . 1 1 84 84 LYS H H 1 8.967 0.01 . 1 . . . . . LYS H . 6501 1 299 . 1 1 84 84 LYS CA C 13 54.0 0.4 . 1 . . . . . LYS CA . 6501 1 300 . 1 1 84 84 LYS CB C 13 34.6 0.4 . 1 . . . . . LYS CB . 6501 1 301 . 1 1 84 84 LYS N N 15 124.4 0.1 . 1 . . . . . LYS N . 6501 1 302 . 1 1 85 85 VAL H H 1 8.685 0.01 . 1 . . . . . VAL H . 6501 1 303 . 1 1 85 85 VAL CA C 13 62.5 0.4 . 1 . . . . . VAL CA . 6501 1 304 . 1 1 85 85 VAL CB C 13 54.0 0.4 . 1 . . . . . VAL CB . 6501 1 305 . 1 1 85 85 VAL N N 15 127.3 0.1 . 1 . . . . . VAL N . 6501 1 306 . 1 1 86 86 LYS H H 1 8.136 0.01 . 1 . . . . . LYS H . 6501 1 307 . 1 1 86 86 LYS CA C 13 57.3 0.4 . 1 . . . . . LYS CA . 6501 1 308 . 1 1 86 86 LYS CB C 13 30.4 0.4 . 1 . . . . . LYS CB . 6501 1 309 . 1 1 86 86 LYS N N 15 126.2 0.1 . 1 . . . . . LYS N . 6501 1 310 . 1 1 87 87 TYR CA C 13 57.4 0.4 . 1 . . . . . TYR CA . 6501 1 311 . 1 1 88 88 LEU H H 1 8.855 0.01 . 1 . . . . . LEU H . 6501 1 312 . 1 1 88 88 LEU CA C 13 52.8 0.4 . 1 . . . . . LEU CA . 6501 1 313 . 1 1 88 88 LEU CB C 13 43.8 0.4 . 1 . . . . . LEU CB . 6501 1 314 . 1 1 88 88 LEU N N 15 125.8 0.1 . 1 . . . . . LEU N . 6501 1 315 . 1 1 89 89 TYR H H 1 9.916 0.01 . 1 . . . . . TYR H . 6501 1 316 . 1 1 89 89 TYR CA C 13 55.1 0.4 . 1 . . . . . TYR CA . 6501 1 317 . 1 1 89 89 TYR CB C 13 40.2 0.4 . 1 . . . . . TYR CB . 6501 1 318 . 1 1 89 89 TYR N N 15 127.7 0.1 . 1 . . . . . TYR N . 6501 1 319 . 1 1 90 90 PHE H H 1 8.921 0.01 . 1 . . . . . PHE H . 6501 1 320 . 1 1 90 90 PHE CA C 13 58.4 0.4 . 1 . . . . . PHE CA . 6501 1 321 . 1 1 90 90 PHE CB C 13 38.8 0.4 . 1 . . . . . PHE CB . 6501 1 322 . 1 1 90 90 PHE N N 15 123.3 0.1 . 1 . . . . . PHE N . 6501 1 323 . 1 1 91 91 ILE H H 1 7.515 0.01 . 1 . . . . . ILE H . 6501 1 324 . 1 1 91 91 ILE CA C 13 60.9 0.4 . 1 . . . . . ILE CA . 6501 1 325 . 1 1 91 91 ILE CB C 13 37.2 0.4 . 1 . . . . . ILE CB . 6501 1 326 . 1 1 91 91 ILE N N 15 119.7 0.1 . 1 . . . . . ILE N . 6501 1 327 . 1 1 92 92 LYS CA C 13 57.6 0.4 . 1 . . . . . LYS CA . 6501 1 328 . 1 1 92 92 LYS CB C 13 30.6 0.4 . 1 . . . . . LYS CB . 6501 1 329 . 1 1 93 93 GLY H H 1 8.443 0.01 . 1 . . . . . GLY H . 6501 1 330 . 1 1 93 93 GLY CA C 13 44.9 0.4 . 1 . . . . . GLY CA . 6501 1 331 . 1 1 93 93 GLY N N 15 108.1 0.1 . 1 . . . . . GLY N . 6501 1 332 . 1 1 94 94 LEU H H 1 8.092 0.01 . 1 . . . . . LEU H . 6501 1 333 . 1 1 94 94 LEU CA C 13 54.7 0.4 . 1 . . . . . LEU CA . 6501 1 334 . 1 1 94 94 LEU CB C 13 41.5 0.4 . 1 . . . . . LEU CB . 6501 1 335 . 1 1 94 94 LEU N N 15 122.2 0.1 . 1 . . . . . LEU N . 6501 1 336 . 1 1 95 95 ASN H H 1 7.998 0.01 . 1 . . . . . ASN H . 6501 1 337 . 1 1 95 95 ASN CA C 13 57.1 0.4 . 1 . . . . . ASN CA . 6501 1 338 . 1 1 95 95 ASN CB C 13 30.1 0.4 . 1 . . . . . ASN CB . 6501 1 339 . 1 1 95 95 ASN N N 15 126.1 0.1 . 1 . . . . . ASN N . 6501 1 340 . 1 1 98 98 ASN H H 1 8.120 0.01 . 1 . . . . . ASN H . 6501 1 341 . 1 1 98 98 ASN CA C 13 54.8 0.4 . 1 . . . . . ASN CA . 6501 1 342 . 1 1 98 98 ASN CB C 13 41.5 0.4 . 1 . . . . . ASN CB . 6501 1 343 . 1 1 98 98 ASN N N 15 123.5 0.1 . 1 . . . . . ASN N . 6501 1 344 . 1 1 99 99 ARG H H 1 8.117 0.01 . 1 . . . . . ARG H . 6501 1 345 . 1 1 99 99 ARG CA C 13 57.9 0.4 . 1 . . . . . ARG CA . 6501 1 346 . 1 1 99 99 ARG CB C 13 32.1 0.4 . 1 . . . . . ARG CB . 6501 1 347 . 1 1 99 99 ARG N N 15 123.7 0.1 . 1 . . . . . ARG N . 6501 1 348 . 1 1 100 100 GLY H H 1 9.157 0.01 . 1 . . . . . GLY H . 6501 1 349 . 1 1 100 100 GLY CA C 13 44.7 0.4 . 1 . . . . . GLY CA . 6501 1 350 . 1 1 100 100 GLY N N 15 114.6 0.1 . 1 . . . . . GLY N . 6501 1 351 . 1 1 101 101 MET H H 1 7.737 0.01 . 1 . . . . . MET H . 6501 1 352 . 1 1 101 101 MET CA C 13 55.7 0.4 . 1 . . . . . MET CA . 6501 1 353 . 1 1 101 101 MET CB C 13 41.4 0.4 . 1 . . . . . MET CB . 6501 1 354 . 1 1 101 101 MET N N 15 123.2 0.1 . 1 . . . . . MET N . 6501 1 355 . 1 1 102 102 VAL H H 1 8.929 0.01 . 1 . . . . . VAL H . 6501 1 356 . 1 1 102 102 VAL CA C 13 52.4 0.4 . 1 . . . . . VAL CA . 6501 1 357 . 1 1 102 102 VAL CB C 13 37.6 0.4 . 1 . . . . . VAL CB . 6501 1 358 . 1 1 102 102 VAL N N 15 126.3 0.1 . 1 . . . . . VAL N . 6501 1 359 . 1 1 104 104 GLY H H 1 8.084 0.01 . 1 . . . . . GLY H . 6501 1 360 . 1 1 104 104 GLY CA C 13 45.7 0.4 . 1 . . . . . GLY CA . 6501 1 361 . 1 1 104 104 GLY N N 15 117.4 0.1 . 1 . . . . . GLY N . 6501 1 362 . 1 1 105 105 SER CA C 13 62.5 0.4 . 1 . . . . . SER CA . 6501 1 363 . 1 1 106 106 LEU H H 1 8.576 0.01 . 1 . . . . . LEU H . 6501 1 364 . 1 1 106 106 LEU CA C 13 52.8 0.4 . 1 . . . . . LEU CA . 6501 1 365 . 1 1 106 106 LEU CB C 13 36.0 0.4 . 1 . . . . . LEU CB . 6501 1 366 . 1 1 106 106 LEU N N 15 127.5 0.1 . 1 . . . . . LEU N . 6501 1 367 . 1 1 107 107 ALA H H 1 7.877 0.01 . 1 . . . . . ALA H . 6501 1 368 . 1 1 107 107 ALA N N 15 110.4 0.1 . 1 . . . . . ALA N . 6501 1 369 . 1 1 110 110 VAL H H 1 7.955 0.01 . 1 . . . . . VAL H . 6501 1 370 . 1 1 110 110 VAL CA C 13 61.7 0.4 . 1 . . . . . VAL CA . 6501 1 371 . 1 1 110 110 VAL CB C 13 32.3 0.4 . 1 . . . . . VAL CB . 6501 1 372 . 1 1 110 110 VAL N N 15 121.9 0.1 . 1 . . . . . VAL N . 6501 1 373 . 1 1 111 111 ARG H H 1 8.346 0.01 . 1 . . . . . ARG H . 6501 1 374 . 1 1 111 111 ARG CA C 13 55.3 0.4 . 1 . . . . . ARG CA . 6501 1 375 . 1 1 111 111 ARG CB C 13 29.8 0.4 . 1 . . . . . ARG CB . 6501 1 376 . 1 1 111 111 ARG N N 15 124.1 0.1 . 1 . . . . . ARG N . 6501 1 377 . 1 1 112 112 LEU H H 1 8.392 0.01 . 1 . . . . . LEU H . 6501 1 378 . 1 1 112 112 LEU CA C 13 54.8 0.4 . 1 . . . . . LEU CA . 6501 1 379 . 1 1 112 112 LEU CB C 13 41.5 0.4 . 1 . . . . . LEU CB . 6501 1 380 . 1 1 112 112 LEU N N 15 125.5 0.1 . 1 . . . . . LEU N . 6501 1 381 . 1 1 113 113 GLN H H 1 7.780 0.01 . 1 . . . . . GLN H . 6501 1 382 . 1 1 113 113 GLN CA C 13 58.7 0.4 . 1 . . . . . GLN CA . 6501 1 383 . 1 1 113 113 GLN N N 15 118.9 0.1 . 1 . . . . . GLN N . 6501 1 stop_ save_