data_19236 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19236 _Entry.Title ; Backbone (1H, 15N, CA, CB) assignments of D. crassirhizoma Plastocyanin (Zn) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-13 _Entry.Accession_date 2013-05-13 _Entry.Last_release_date 2013-06-10 _Entry.Original_release_date 2013-06-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jia-Ying Guan . . . 19236 2 Marcellus Ubbink . . . 19236 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19236 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 195 19236 '15N chemical shifts' 94 19236 '1H chemical shifts' 94 19236 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 . . 2013-06-10 2013-05-13 original author . 19236 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19247 'Populus nigra Plastocyanin (Zn)' 19236 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19236 _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 'Dynamics in the complex of plastocyanin and tetralysine peptides' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Jia-Ying Guan . . . 19236 1 2 Johannes Foester . . . 19236 1 3 'Jan Wouter' Drijfhout . . . 19236 1 4 Monika Timmer . . . 19236 1 5 Anneloes Blok . . . 19236 1 6 'G. Matthias' Ullmann . . . 19236 1 7 Marcellus Ubbink . . . 19236 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19236 _Assembly.ID 1 _Assembly.Name plastocyanin _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 plastocyanin 1 $plastocyanin A . yes native no no . . . 19236 1 2 zinc 2 $entity_ZN A . no native no no . . . 19236 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 HIS 37 37 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19236 1 2 coordinate single . 1 . 1 HIS 90 90 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19236 1 3 coordinate single . 1 . 1 CYS 87 87 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19236 1 4 coordinate single . 1 . 1 MET 95 95 SD . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 19236 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_plastocyanin _Entity.Sf_category entity _Entity.Sf_framecode plastocyanin _Entity.Entry_ID 19236 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name plastocyanin _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 ; AKVEVGDEVGNFKFYPDSIT VSAGEAVEFTLVGETGHNIV FDIPAGAPGTVASELKAASM DENDLLSEDEPSFKAKVSTP GTYTFYCTPHKSANMKGTLT VK ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free disulfide and other bound' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1KDI . . . . . . . . . . . . . . . . 19236 1 2 no PDB 1KDI . "Reduced Form Of Plastocyanin From Dryopteris Crassirhizoma" . . . . . 100.00 102 100.00 100.00 5.64e-66 . . . . 19236 1 3 no PDB 1KDJ . "Oxidized Form Of Plastocyanin From Dryopteris Crassirhizoma" . . . . . 100.00 102 100.00 100.00 5.64e-66 . . . . 19236 1 4 no PDB 2BZ7 . "Oxidized And Reduced Structures Of A Mutant Plastocyanin Of Fern" . . . . . 100.00 102 99.02 99.02 1.05e-64 . . . . 19236 1 5 no PDB 2BZC . "Oxidized And Reduced Structures Of A Mutant Plastocyanin Of Fern" . . . . . 100.00 102 99.02 99.02 1.05e-64 . . . . 19236 1 6 no SP Q7SIB8 . "RecName: Full=Plastocyanin" . . . . . 100.00 102 100.00 100.00 5.64e-66 . . . . 19236 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 . ALA . 19236 1 2 . LYS . 19236 1 3 . VAL . 19236 1 4 . GLU . 19236 1 5 . VAL . 19236 1 6 . GLY . 19236 1 7 . ASP . 19236 1 8 . GLU . 19236 1 9 . VAL . 19236 1 10 . GLY . 19236 1 11 . ASN . 19236 1 12 . PHE . 19236 1 13 . LYS . 19236 1 14 . PHE . 19236 1 15 . TYR . 19236 1 16 . PRO . 19236 1 17 . ASP . 19236 1 18 . SER . 19236 1 19 . ILE . 19236 1 20 . THR . 19236 1 21 . VAL . 19236 1 22 . SER . 19236 1 23 . ALA . 19236 1 24 . GLY . 19236 1 25 . GLU . 19236 1 26 . ALA . 19236 1 27 . VAL . 19236 1 28 . GLU . 19236 1 29 . PHE . 19236 1 30 . THR . 19236 1 31 . LEU . 19236 1 32 . VAL . 19236 1 33 . GLY . 19236 1 34 . GLU . 19236 1 35 . THR . 19236 1 36 . GLY . 19236 1 37 . HIS . 19236 1 38 . ASN . 19236 1 39 . ILE . 19236 1 40 . VAL . 19236 1 41 . PHE . 19236 1 42 . ASP . 19236 1 43 . ILE . 19236 1 44 . PRO . 19236 1 45 . ALA . 19236 1 46 . GLY . 19236 1 47 . ALA . 19236 1 48 . PRO . 19236 1 49 . GLY . 19236 1 50 . THR . 19236 1 51 . VAL . 19236 1 52 . ALA . 19236 1 53 . SER . 19236 1 54 . GLU . 19236 1 55 . LEU . 19236 1 56 . LYS . 19236 1 57 . ALA . 19236 1 58 . ALA . 19236 1 59 . SER . 19236 1 60 . MET . 19236 1 61 . ASP . 19236 1 62 . GLU . 19236 1 63 . ASN . 19236 1 64 . ASP . 19236 1 65 . LEU . 19236 1 66 . LEU . 19236 1 67 . SER . 19236 1 68 . GLU . 19236 1 69 . ASP . 19236 1 70 . GLU . 19236 1 71 . PRO . 19236 1 72 . SER . 19236 1 73 . PHE . 19236 1 74 . LYS . 19236 1 75 . ALA . 19236 1 76 . LYS . 19236 1 77 . VAL . 19236 1 78 . SER . 19236 1 79 . THR . 19236 1 80 . PRO . 19236 1 81 . GLY . 19236 1 82 . THR . 19236 1 83 . TYR . 19236 1 84 . THR . 19236 1 85 . PHE . 19236 1 86 . TYR . 19236 1 87 . CYS . 19236 1 88 . THR . 19236 1 89 . PRO . 19236 1 90 . HIS . 19236 1 91 . LYS . 19236 1 92 . SER . 19236 1 93 . ALA . 19236 1 94 . ASN . 19236 1 95 . MET . 19236 1 96 . LYS . 19236 1 97 . GLY . 19236 1 98 . THR . 19236 1 99 . LEU . 19236 1 100 . THR . 19236 1 101 . VAL . 19236 1 102 . LYS . 19236 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 . ALA 1 1 19236 1 . LYS 2 2 19236 1 . VAL 3 3 19236 1 . GLU 4 4 19236 1 . VAL 5 5 19236 1 . GLY 6 6 19236 1 . ASP 7 7 19236 1 . GLU 8 8 19236 1 . VAL 9 9 19236 1 . GLY 10 10 19236 1 . ASN 11 11 19236 1 . PHE 12 12 19236 1 . LYS 13 13 19236 1 . PHE 14 14 19236 1 . TYR 15 15 19236 1 . PRO 16 16 19236 1 . ASP 17 17 19236 1 . SER 18 18 19236 1 . ILE 19 19 19236 1 . THR 20 20 19236 1 . VAL 21 21 19236 1 . SER 22 22 19236 1 . ALA 23 23 19236 1 . GLY 24 24 19236 1 . GLU 25 25 19236 1 . ALA 26 26 19236 1 . VAL 27 27 19236 1 . GLU 28 28 19236 1 . PHE 29 29 19236 1 . THR 30 30 19236 1 . LEU 31 31 19236 1 . VAL 32 32 19236 1 . GLY 33 33 19236 1 . GLU 34 34 19236 1 . THR 35 35 19236 1 . GLY 36 36 19236 1 . HIS 37 37 19236 1 . ASN 38 38 19236 1 . ILE 39 39 19236 1 . VAL 40 40 19236 1 . PHE 41 41 19236 1 . ASP 42 42 19236 1 . ILE 43 43 19236 1 . PRO 44 44 19236 1 . ALA 45 45 19236 1 . GLY 46 46 19236 1 . ALA 47 47 19236 1 . PRO 48 48 19236 1 . GLY 49 49 19236 1 . THR 50 50 19236 1 . VAL 51 51 19236 1 . ALA 52 52 19236 1 . SER 53 53 19236 1 . GLU 54 54 19236 1 . LEU 55 55 19236 1 . LYS 56 56 19236 1 . ALA 57 57 19236 1 . ALA 58 58 19236 1 . SER 59 59 19236 1 . MET 60 60 19236 1 . ASP 61 61 19236 1 . GLU 62 62 19236 1 . ASN 63 63 19236 1 . ASP 64 64 19236 1 . LEU 65 65 19236 1 . LEU 66 66 19236 1 . SER 67 67 19236 1 . GLU 68 68 19236 1 . ASP 69 69 19236 1 . GLU 70 70 19236 1 . PRO 71 71 19236 1 . SER 72 72 19236 1 . PHE 73 73 19236 1 . LYS 74 74 19236 1 . ALA 75 75 19236 1 . LYS 76 76 19236 1 . VAL 77 77 19236 1 . SER 78 78 19236 1 . THR 79 79 19236 1 . PRO 80 80 19236 1 . GLY 81 81 19236 1 . THR 82 82 19236 1 . TYR 83 83 19236 1 . THR 84 84 19236 1 . PHE 85 85 19236 1 . TYR 86 86 19236 1 . CYS 87 87 19236 1 . THR 88 88 19236 1 . PRO 89 89 19236 1 . HIS 90 90 19236 1 . LYS 91 91 19236 1 . SER 92 92 19236 1 . ALA 93 93 19236 1 . ASN 94 94 19236 1 . MET 95 95 19236 1 . LYS 96 96 19236 1 . GLY 97 97 19236 1 . THR 98 98 19236 1 . LEU 99 99 19236 1 . THR 100 100 19236 1 . VAL 101 101 19236 1 . LYS 102 102 19236 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19236 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19236 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19236 2 ZN 'Three letter code' 19236 2 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 1 ZN $chem_comp_ZN 19236 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19236 2 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 19236 _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 $plastocyanin . 97234 organism . 'Dryopteris crassirhizoma' Ferns . . Eukaryota Viridiplantae Dryopteris crassirhizoma . . . . . . . . . . . . . . . . . . . . . 19236 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 19236 _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 $plastocyanin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28c . . . . . . 19236 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19236 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19236 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19236 ZN [Zn++] SMILES CACTVS 3.341 19236 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19236 ZN [Zn+2] SMILES ACDLabs 10.04 19236 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19236 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19236 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19236 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19236 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19236 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19236 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 plastocyanin '[U-13C; U-15N]' . . 1 $plastocyanin . . 2.4 . . mM 0.1 . . . 19236 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19236 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19236 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sodium phosphate 10mM' 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' 10 . mM 19236 1 pH 6.5 . pH 19236 1 pressure 1 . atm 19236 1 temperature 300 . K 19236 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19236 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19236 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19236 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19236 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19236 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19236 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 19236 _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 HNCACB' no 1 $NMR_spectrometer_expt_1 . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19236 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 19236 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 $spectrometer_1 _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 1 _NMR_spec_expt.Software_label $SPARKY _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19236 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Calibrated with water chemical shift in 1H dimension. Indirectly calibrated 13C and 15N with the suggested corresponding chemical shift ratios.' 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 carbon' . . . . ppm 54.03 internal indirect 0.2514495 . . . . . . . . . 19236 1 H 1 water protons . . . . ppm 4.734 internal direct 1.0 . . . . . . . . . 19236 1 N 15 DSS 'methyl carbon' . . . . ppm 118.53 internal indirect 0.1013291 . . . . . . . . . 19236 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19236 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Estimated from the spectral resolution after zero filling.' _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 HNCACB' . . . 19236 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 ALA CA C 13 51.874 0.1 . 1 . . . . 1 ALA CA . 19236 1 2 . 1 1 1 1 ALA CB C 13 20.700 0.1 . 1 . . . . 1 ALA CB . 19236 1 3 . 1 1 2 2 LYS H H 1 8.579 0.01 . 1 . . . . 2 LYS H . 19236 1 4 . 1 1 2 2 LYS CA C 13 55.709 0.1 . 1 . . . . 2 LYS CA . 19236 1 5 . 1 1 2 2 LYS CB C 13 35.283 0.1 . 1 . . . . 2 LYS CB . 19236 1 6 . 1 1 2 2 LYS N N 15 123.220 0.2 . 1 . . . . 2 LYS N . 19236 1 7 . 1 1 3 3 VAL H H 1 8.568 0.01 . 1 . . . . 3 VAL H . 19236 1 8 . 1 1 3 3 VAL CA C 13 61.234 0.1 . 1 . . . . 3 VAL CA . 19236 1 9 . 1 1 3 3 VAL CB C 13 35.987 0.1 . 1 . . . . 3 VAL CB . 19236 1 10 . 1 1 3 3 VAL N N 15 125.389 0.2 . 1 . . . . 3 VAL N . 19236 1 11 . 1 1 4 4 GLU H H 1 9.263 0.01 . 1 . . . . 4 GLU H . 19236 1 12 . 1 1 4 4 GLU CA C 13 55.791 0.1 . 1 . . . . 4 GLU CA . 19236 1 13 . 1 1 4 4 GLU CB C 13 30.830 0.1 . 1 . . . . 4 GLU CB . 19236 1 14 . 1 1 4 4 GLU N N 15 126.682 0.2 . 1 . . . . 4 GLU N . 19236 1 15 . 1 1 5 5 VAL H H 1 9.059 0.01 . 1 . . . . 5 VAL H . 19236 1 16 . 1 1 5 5 VAL CA C 13 61.757 0.1 . 1 . . . . 5 VAL CA . 19236 1 17 . 1 1 5 5 VAL CB C 13 31.834 0.1 . 1 . . . . 5 VAL CB . 19236 1 18 . 1 1 5 5 VAL N N 15 125.435 0.2 . 1 . . . . 5 VAL N . 19236 1 19 . 1 1 6 6 GLY H H 1 8.010 0.01 . 1 . . . . 6 GLY H . 19236 1 20 . 1 1 6 6 GLY CA C 13 43.854 0.1 . 1 . . . . 6 GLY CA . 19236 1 21 . 1 1 6 6 GLY N N 15 112.622 0.2 . 1 . . . . 6 GLY N . 19236 1 22 . 1 1 7 7 ASP H H 1 6.938 0.01 . 1 . . . . 7 ASP H . 19236 1 23 . 1 1 7 7 ASP CA C 13 52.588 0.1 . 1 . . . . 7 ASP CA . 19236 1 24 . 1 1 7 7 ASP CB C 13 43.178 0.1 . 1 . . . . 7 ASP CB . 19236 1 25 . 1 1 7 7 ASP N N 15 109.874 0.2 . 1 . . . . 7 ASP N . 19236 1 26 . 1 1 8 8 GLU H H 1 8.921 0.01 . 1 . . . . 8 GLU H . 19236 1 27 . 1 1 8 8 GLU CA C 13 59.145 0.1 . 1 . . . . 8 GLU CA . 19236 1 28 . 1 1 8 8 GLU CB C 13 29.446 0.1 . 1 . . . . 8 GLU CB . 19236 1 29 . 1 1 8 8 GLU N N 15 116.869 0.2 . 1 . . . . 8 GLU N . 19236 1 30 . 1 1 9 9 VAL H H 1 7.414 0.01 . 1 . . . . 9 VAL H . 19236 1 31 . 1 1 9 9 VAL CA C 13 62.031 0.1 . 1 . . . . 9 VAL CA . 19236 1 32 . 1 1 9 9 VAL CB C 13 31.731 0.1 . 1 . . . . 9 VAL CB . 19236 1 33 . 1 1 9 9 VAL N N 15 113.531 0.2 . 1 . . . . 9 VAL N . 19236 1 34 . 1 1 10 10 GLY H H 1 7.838 0.01 . 1 . . . . 10 GLY H . 19236 1 35 . 1 1 10 10 GLY CA C 13 45.516 0.1 . 1 . . . . 10 GLY CA . 19236 1 36 . 1 1 10 10 GLY N N 15 108.929 0.2 . 1 . . . . 10 GLY N . 19236 1 37 . 1 1 11 11 ASN H H 1 9.105 0.01 . 1 . . . . 11 ASN H . 19236 1 38 . 1 1 11 11 ASN CA C 13 54.455 0.1 . 1 . . . . 11 ASN CA . 19236 1 39 . 1 1 11 11 ASN CB C 13 39.013 0.1 . 1 . . . . 11 ASN CB . 19236 1 40 . 1 1 11 11 ASN N N 15 119.074 0.2 . 1 . . . . 11 ASN N . 19236 1 41 . 1 1 12 12 PHE H H 1 8.661 0.01 . 1 . . . . 12 PHE H . 19236 1 42 . 1 1 12 12 PHE CA C 13 51.909 0.1 . 1 . . . . 12 PHE CA . 19236 1 43 . 1 1 12 12 PHE CB C 13 34.752 0.1 . 1 . . . . 12 PHE CB . 19236 1 44 . 1 1 12 12 PHE N N 15 125.571 0.2 . 1 . . . . 12 PHE N . 19236 1 45 . 1 1 13 13 LYS H H 1 6.459 0.01 . 1 . . . . 13 LYS H . 19236 1 46 . 1 1 13 13 LYS CA C 13 54.330 0.1 . 1 . . . . 13 LYS CA . 19236 1 47 . 1 1 13 13 LYS CB C 13 38.051 0.1 . 1 . . . . 13 LYS CB . 19236 1 48 . 1 1 13 13 LYS N N 15 117.379 0.2 . 1 . . . . 13 LYS N . 19236 1 49 . 1 1 14 14 PHE H H 1 8.329 0.01 . 1 . . . . 14 PHE H . 19236 1 50 . 1 1 14 14 PHE CA C 13 57.373 0.1 . 1 . . . . 14 PHE CA . 19236 1 51 . 1 1 14 14 PHE CB C 13 41.326 0.1 . 1 . . . . 14 PHE CB . 19236 1 52 . 1 1 14 14 PHE N N 15 119.624 0.2 . 1 . . . . 14 PHE N . 19236 1 53 . 1 1 15 15 TYR H H 1 9.328 0.01 . 1 . . . . 15 TYR H . 19236 1 54 . 1 1 15 15 TYR CA C 13 54.807 0.1 . 1 . . . . 15 TYR CA . 19236 1 55 . 1 1 15 15 TYR CB C 13 41.229 0.1 . 1 . . . . 15 TYR CB . 19236 1 56 . 1 1 15 15 TYR N N 15 118.424 0.2 . 1 . . . . 15 TYR N . 19236 1 57 . 1 1 16 16 PRO CA C 13 63.698 0.1 . 1 . . . . 16 PRO CA . 19236 1 58 . 1 1 16 16 PRO CB C 13 35.156 0.1 . 1 . . . . 16 PRO CB . 19236 1 59 . 1 1 17 17 ASP H H 1 7.858 0.01 . 1 . . . . 17 ASP H . 19236 1 60 . 1 1 17 17 ASP CA C 13 53.106 0.1 . 1 . . . . 17 ASP CA . 19236 1 61 . 1 1 17 17 ASP CB C 13 40.296 0.1 . 1 . . . . 17 ASP CB . 19236 1 62 . 1 1 17 17 ASP N N 15 110.992 0.2 . 1 . . . . 17 ASP N . 19236 1 63 . 1 1 18 18 SER H H 1 7.184 0.01 . 1 . . . . 18 SER H . 19236 1 64 . 1 1 18 18 SER CA C 13 56.930 0.1 . 1 . . . . 18 SER CA . 19236 1 65 . 1 1 18 18 SER CB C 13 64.350 0.1 . 1 . . . . 18 SER CB . 19236 1 66 . 1 1 18 18 SER N N 15 114.542 0.2 . 1 . . . . 18 SER N . 19236 1 67 . 1 1 19 19 ILE H H 1 8.648 0.01 . 1 . . . . 19 ILE H . 19236 1 68 . 1 1 19 19 ILE CA C 13 59.993 0.1 . 1 . . . . 19 ILE CA . 19236 1 69 . 1 1 19 19 ILE CB C 13 42.594 0.1 . 1 . . . . 19 ILE CB . 19236 1 70 . 1 1 19 19 ILE N N 15 125.056 0.2 . 1 . . . . 19 ILE N . 19236 1 71 . 1 1 20 20 THR H H 1 8.468 0.01 . 1 . . . . 20 THR H . 19236 1 72 . 1 1 20 20 THR CA C 13 61.439 0.1 . 1 . . . . 20 THR CA . 19236 1 73 . 1 1 20 20 THR CB C 13 70.567 0.1 . 1 . . . . 20 THR CB . 19236 1 74 . 1 1 20 20 THR N N 15 124.627 0.2 . 1 . . . . 20 THR N . 19236 1 75 . 1 1 21 21 VAL H H 1 9.123 0.01 . 1 . . . . 21 VAL H . 19236 1 76 . 1 1 21 21 VAL CA C 13 58.409 0.1 . 1 . . . . 21 VAL CA . 19236 1 77 . 1 1 21 21 VAL CB C 13 35.733 0.1 . 1 . . . . 21 VAL CB . 19236 1 78 . 1 1 21 21 VAL N N 15 119.625 0.2 . 1 . . . . 21 VAL N . 19236 1 79 . 1 1 22 22 SER H H 1 8.137 0.01 . 1 . . . . 22 SER H . 19236 1 80 . 1 1 22 22 SER CA C 13 58.036 0.1 . 1 . . . . 22 SER CA . 19236 1 81 . 1 1 22 22 SER CB C 13 64.498 0.1 . 1 . . . . 22 SER CB . 19236 1 82 . 1 1 22 22 SER N N 15 116.399 0.2 . 1 . . . . 22 SER N . 19236 1 83 . 1 1 23 23 ALA H H 1 8.671 0.01 . 1 . . . . 23 ALA H . 19236 1 84 . 1 1 23 23 ALA CA C 13 54.411 0.1 . 1 . . . . 23 ALA CA . 19236 1 85 . 1 1 23 23 ALA CB C 13 18.252 0.1 . 1 . . . . 23 ALA CB . 19236 1 86 . 1 1 23 23 ALA N N 15 125.658 0.2 . 1 . . . . 23 ALA N . 19236 1 87 . 1 1 24 24 GLY H H 1 8.737 0.01 . 1 . . . . 24 GLY H . 19236 1 88 . 1 1 24 24 GLY CA C 13 45.160 0.1 . 1 . . . . 24 GLY CA . 19236 1 89 . 1 1 24 24 GLY N N 15 113.061 0.2 . 1 . . . . 24 GLY N . 19236 1 90 . 1 1 25 25 GLU H H 1 8.116 0.01 . 1 . . . . 25 GLU H . 19236 1 91 . 1 1 25 25 GLU CA C 13 55.982 0.1 . 1 . . . . 25 GLU CA . 19236 1 92 . 1 1 25 25 GLU CB C 13 30.806 0.1 . 1 . . . . 25 GLU CB . 19236 1 93 . 1 1 25 25 GLU N N 15 123.406 0.2 . 1 . . . . 25 GLU N . 19236 1 94 . 1 1 26 26 ALA H H 1 8.496 0.01 . 1 . . . . 26 ALA H . 19236 1 95 . 1 1 26 26 ALA CA C 13 51.729 0.1 . 1 . . . . 26 ALA CA . 19236 1 96 . 1 1 26 26 ALA CB C 13 19.641 0.1 . 1 . . . . 26 ALA CB . 19236 1 97 . 1 1 26 26 ALA N N 15 127.633 0.2 . 1 . . . . 26 ALA N . 19236 1 98 . 1 1 27 27 VAL H H 1 8.923 0.01 . 1 . . . . 27 VAL H . 19236 1 99 . 1 1 27 27 VAL CA C 13 61.446 0.1 . 1 . . . . 27 VAL CA . 19236 1 100 . 1 1 27 27 VAL CB C 13 32.632 0.1 . 1 . . . . 27 VAL CB . 19236 1 101 . 1 1 27 27 VAL N N 15 122.377 0.2 . 1 . . . . 27 VAL N . 19236 1 102 . 1 1 28 28 GLU H H 1 8.439 0.01 . 1 . . . . 28 GLU H . 19236 1 103 . 1 1 28 28 GLU CA C 13 54.959 0.1 . 1 . . . . 28 GLU CA . 19236 1 104 . 1 1 28 28 GLU CB C 13 30.762 0.1 . 1 . . . . 28 GLU CB . 19236 1 105 . 1 1 28 28 GLU N N 15 126.750 0.2 . 1 . . . . 28 GLU N . 19236 1 106 . 1 1 29 29 PHE H H 1 9.439 0.01 . 1 . . . . 29 PHE H . 19236 1 107 . 1 1 29 29 PHE CA C 13 57.077 0.1 . 1 . . . . 29 PHE CA . 19236 1 108 . 1 1 29 29 PHE CB C 13 40.307 0.1 . 1 . . . . 29 PHE CB . 19236 1 109 . 1 1 29 29 PHE N N 15 127.531 0.2 . 1 . . . . 29 PHE N . 19236 1 110 . 1 1 30 30 THR H H 1 8.770 0.01 . 1 . . . . 30 THR H . 19236 1 111 . 1 1 30 30 THR CA C 13 60.838 0.1 . 1 . . . . 30 THR CA . 19236 1 112 . 1 1 30 30 THR CB C 13 71.851 0.1 . 1 . . . . 30 THR CB . 19236 1 113 . 1 1 30 30 THR N N 15 118.258 0.2 . 1 . . . . 30 THR N . 19236 1 114 . 1 1 31 31 LEU H H 1 9.450 0.01 . 1 . . . . 31 LEU H . 19236 1 115 . 1 1 31 31 LEU CA C 13 56.235 0.1 . 1 . . . . 31 LEU CA . 19236 1 116 . 1 1 31 31 LEU CB C 13 43.711 0.1 . 1 . . . . 31 LEU CB . 19236 1 117 . 1 1 31 31 LEU N N 15 130.618 0.2 . 1 . . . . 31 LEU N . 19236 1 118 . 1 1 32 32 VAL H H 1 8.741 0.01 . 1 . . . . 32 VAL H . 19236 1 119 . 1 1 32 32 VAL CA C 13 62.510 0.1 . 1 . . . . 32 VAL CA . 19236 1 120 . 1 1 32 32 VAL CB C 13 33.332 0.1 . 1 . . . . 32 VAL CB . 19236 1 121 . 1 1 32 32 VAL N N 15 131.491 0.2 . 1 . . . . 32 VAL N . 19236 1 122 . 1 1 33 33 GLY H H 1 8.281 0.01 . 1 . . . . 33 GLY H . 19236 1 123 . 1 1 33 33 GLY CA C 13 43.851 0.1 . 1 . . . . 33 GLY CA . 19236 1 124 . 1 1 33 33 GLY N N 15 112.566 0.2 . 1 . . . . 33 GLY N . 19236 1 125 . 1 1 34 34 GLU H H 1 8.001 0.01 . 1 . . . . 34 GLU H . 19236 1 126 . 1 1 34 34 GLU CA C 13 57.385 0.1 . 1 . . . . 34 GLU CA . 19236 1 127 . 1 1 34 34 GLU CB C 13 31.123 0.1 . 1 . . . . 34 GLU CB . 19236 1 128 . 1 1 34 34 GLU N N 15 114.269 0.2 . 1 . . . . 34 GLU N . 19236 1 129 . 1 1 35 35 THR H H 1 7.863 0.01 . 1 . . . . 35 THR H . 19236 1 130 . 1 1 35 35 THR CA C 13 63.054 0.1 . 1 . . . . 35 THR CA . 19236 1 131 . 1 1 35 35 THR CB C 13 69.040 0.1 . 1 . . . . 35 THR CB . 19236 1 132 . 1 1 35 35 THR N N 15 117.686 0.2 . 1 . . . . 35 THR N . 19236 1 133 . 1 1 36 36 GLY H H 1 8.555 0.01 . 1 . . . . 36 GLY H . 19236 1 134 . 1 1 36 36 GLY CA C 13 46.385 0.1 . 1 . . . . 36 GLY CA . 19236 1 135 . 1 1 36 36 GLY N N 15 112.690 0.2 . 1 . . . . 36 GLY N . 19236 1 136 . 1 1 37 37 HIS H H 1 6.583 0.01 . 1 . . . . 37 HIS H . 19236 1 137 . 1 1 37 37 HIS CA C 13 55.246 0.1 . 1 . . . . 37 HIS CA . 19236 1 138 . 1 1 37 37 HIS CB C 13 36.539 0.1 . 1 . . . . 37 HIS CB . 19236 1 139 . 1 1 37 37 HIS N N 15 116.323 0.2 . 1 . . . . 37 HIS N . 19236 1 140 . 1 1 38 38 ASN H H 1 9.500 0.01 . 1 . . . . 38 ASN H . 19236 1 141 . 1 1 38 38 ASN CA C 13 51.161 0.1 . 1 . . . . 38 ASN CA . 19236 1 142 . 1 1 38 38 ASN CB C 13 40.361 0.1 . 1 . . . . 38 ASN CB . 19236 1 143 . 1 1 38 38 ASN N N 15 123.813 0.2 . 1 . . . . 38 ASN N . 19236 1 144 . 1 1 39 39 ILE H H 1 5.992 0.01 . 1 . . . . 39 ILE H . 19236 1 145 . 1 1 39 39 ILE CA C 13 61.512 0.1 . 1 . . . . 39 ILE CA . 19236 1 146 . 1 1 39 39 ILE CB C 13 40.083 0.1 . 1 . . . . 39 ILE CB . 19236 1 147 . 1 1 39 39 ILE N N 15 112.981 0.2 . 1 . . . . 39 ILE N . 19236 1 148 . 1 1 40 40 VAL H H 1 8.705 0.01 . 1 . . . . 40 VAL H . 19236 1 149 . 1 1 40 40 VAL CA C 13 61.342 0.1 . 1 . . . . 40 VAL CA . 19236 1 150 . 1 1 40 40 VAL CB C 13 35.838 0.1 . 1 . . . . 40 VAL CB . 19236 1 151 . 1 1 40 40 VAL N N 15 125.249 0.2 . 1 . . . . 40 VAL N . 19236 1 152 . 1 1 41 41 PHE H H 1 8.264 0.01 . 1 . . . . 41 PHE H . 19236 1 153 . 1 1 41 41 PHE CA C 13 58.754 0.1 . 1 . . . . 41 PHE CA . 19236 1 154 . 1 1 41 41 PHE CB C 13 40.728 0.1 . 1 . . . . 41 PHE CB . 19236 1 155 . 1 1 41 41 PHE N N 15 123.996 0.2 . 1 . . . . 41 PHE N . 19236 1 156 . 1 1 42 42 ASP H H 1 8.822 0.01 . 1 . . . . 42 ASP H . 19236 1 157 . 1 1 42 42 ASP CA C 13 54.358 0.1 . 1 . . . . 42 ASP CA . 19236 1 158 . 1 1 42 42 ASP CB C 13 42.604 0.1 . 1 . . . . 42 ASP CB . 19236 1 159 . 1 1 42 42 ASP N N 15 122.922 0.2 . 1 . . . . 42 ASP N . 19236 1 160 . 1 1 43 43 ILE H H 1 8.468 0.01 . 1 . . . . 43 ILE H . 19236 1 161 . 1 1 43 43 ILE CA C 13 58.101 0.1 . 1 . . . . 43 ILE CA . 19236 1 162 . 1 1 43 43 ILE CB C 13 37.757 0.1 . 1 . . . . 43 ILE CB . 19236 1 163 . 1 1 43 43 ILE N N 15 125.222 0.2 . 1 . . . . 43 ILE N . 19236 1 164 . 1 1 44 44 PRO CA C 13 62.773 0.1 . 1 . . . . 44 PRO CA . 19236 1 165 . 1 1 44 44 PRO CB C 13 32.417 0.1 . 1 . . . . 44 PRO CB . 19236 1 166 . 1 1 45 45 ALA H H 1 8.605 0.01 . 1 . . . . 45 ALA H . 19236 1 167 . 1 1 45 45 ALA CA C 13 53.681 0.1 . 1 . . . . 45 ALA CA . 19236 1 168 . 1 1 45 45 ALA CB C 13 18.051 0.1 . 1 . . . . 45 ALA CB . 19236 1 169 . 1 1 45 45 ALA N N 15 126.706 0.2 . 1 . . . . 45 ALA N . 19236 1 170 . 1 1 46 46 GLY H H 1 8.774 0.01 . 1 . . . . 46 GLY H . 19236 1 171 . 1 1 46 46 GLY CA C 13 45.312 0.1 . 1 . . . . 46 GLY CA . 19236 1 172 . 1 1 46 46 GLY N N 15 110.307 0.2 . 1 . . . . 46 GLY N . 19236 1 173 . 1 1 47 47 ALA H H 1 7.482 0.01 . 1 . . . . 47 ALA H . 19236 1 174 . 1 1 47 47 ALA CA C 13 50.792 0.1 . 1 . . . . 47 ALA CA . 19236 1 175 . 1 1 47 47 ALA CB C 13 17.413 0.1 . 1 . . . . 47 ALA CB . 19236 1 176 . 1 1 47 47 ALA N N 15 123.471 0.2 . 1 . . . . 47 ALA N . 19236 1 177 . 1 1 48 48 PRO CA C 13 62.402 0.1 . 1 . . . . 48 PRO CA . 19236 1 178 . 1 1 48 48 PRO CB C 13 32.671 0.1 . 1 . . . . 48 PRO CB . 19236 1 179 . 1 1 49 49 GLY H H 1 8.886 0.01 . 1 . . . . 49 GLY H . 19236 1 180 . 1 1 49 49 GLY CA C 13 47.827 0.1 . 1 . . . . 49 GLY CA . 19236 1 181 . 1 1 49 49 GLY N N 15 110.922 0.2 . 1 . . . . 49 GLY N . 19236 1 182 . 1 1 50 50 THR H H 1 8.037 0.01 . 1 . . . . 50 THR H . 19236 1 183 . 1 1 50 50 THR CA C 13 64.518 0.1 . 1 . . . . 50 THR CA . 19236 1 184 . 1 1 50 50 THR CB C 13 67.949 0.1 . 1 . . . . 50 THR CB . 19236 1 185 . 1 1 50 50 THR N N 15 112.162 0.2 . 1 . . . . 50 THR N . 19236 1 186 . 1 1 51 51 VAL H H 1 6.966 0.01 . 1 . . . . 51 VAL H . 19236 1 187 . 1 1 51 51 VAL CA C 13 65.492 0.1 . 1 . . . . 51 VAL CA . 19236 1 188 . 1 1 51 51 VAL CB C 13 32.344 0.1 . 1 . . . . 51 VAL CB . 19236 1 189 . 1 1 51 51 VAL N N 15 124.017 0.2 . 1 . . . . 51 VAL N . 19236 1 190 . 1 1 52 52 ALA H H 1 8.233 0.01 . 1 . . . . 52 ALA H . 19236 1 191 . 1 1 52 52 ALA CA C 13 56.143 0.1 . 1 . . . . 52 ALA CA . 19236 1 192 . 1 1 52 52 ALA CB C 13 18.109 0.1 . 1 . . . . 52 ALA CB . 19236 1 193 . 1 1 52 52 ALA N N 15 122.042 0.2 . 1 . . . . 52 ALA N . 19236 1 194 . 1 1 53 53 SER H H 1 8.183 0.01 . 1 . . . . 53 SER H . 19236 1 195 . 1 1 53 53 SER CA C 13 61.867 0.1 . 1 . . . . 53 SER CA . 19236 1 196 . 1 1 53 53 SER CB C 13 63.171 0.1 . 1 . . . . 53 SER CB . 19236 1 197 . 1 1 53 53 SER N N 15 111.896 0.2 . 1 . . . . 53 SER N . 19236 1 198 . 1 1 54 54 GLU H H 1 7.694 0.01 . 1 . . . . 54 GLU H . 19236 1 199 . 1 1 54 54 GLU CA C 13 59.610 0.1 . 1 . . . . 54 GLU CA . 19236 1 200 . 1 1 54 54 GLU CB C 13 30.326 0.1 . 1 . . . . 54 GLU CB . 19236 1 201 . 1 1 54 54 GLU N N 15 124.890 0.2 . 1 . . . . 54 GLU N . 19236 1 202 . 1 1 55 55 LEU H H 1 8.405 0.01 . 1 . . . . 55 LEU H . 19236 1 203 . 1 1 55 55 LEU CA C 13 57.470 0.1 . 1 . . . . 55 LEU CA . 19236 1 204 . 1 1 55 55 LEU CB C 13 41.496 0.1 . 1 . . . . 55 LEU CB . 19236 1 205 . 1 1 55 55 LEU N N 15 119.817 0.2 . 1 . . . . 55 LEU N . 19236 1 206 . 1 1 56 56 LYS H H 1 8.157 0.01 . 1 . . . . 56 LYS H . 19236 1 207 . 1 1 56 56 LYS CA C 13 59.665 0.1 . 1 . . . . 56 LYS CA . 19236 1 208 . 1 1 56 56 LYS CB C 13 32.202 0.1 . 1 . . . . 56 LYS CB . 19236 1 209 . 1 1 56 56 LYS N N 15 121.972 0.2 . 1 . . . . 56 LYS N . 19236 1 210 . 1 1 57 57 ALA H H 1 7.769 0.01 . 1 . . . . 57 ALA H . 19236 1 211 . 1 1 57 57 ALA CA C 13 54.165 0.1 . 1 . . . . 57 ALA CA . 19236 1 212 . 1 1 57 57 ALA CB C 13 17.972 0.1 . 1 . . . . 57 ALA CB . 19236 1 213 . 1 1 57 57 ALA N N 15 120.912 0.2 . 1 . . . . 57 ALA N . 19236 1 214 . 1 1 58 58 ALA H H 1 7.222 0.01 . 1 . . . . 58 ALA H . 19236 1 215 . 1 1 58 58 ALA CA C 13 51.604 0.1 . 1 . . . . 58 ALA CA . 19236 1 216 . 1 1 58 58 ALA CB C 13 19.403 0.1 . 1 . . . . 58 ALA CB . 19236 1 217 . 1 1 58 58 ALA N N 15 121.189 0.2 . 1 . . . . 58 ALA N . 19236 1 218 . 1 1 59 59 SER H H 1 7.160 0.01 . 1 . . . . 59 SER H . 19236 1 219 . 1 1 59 59 SER CA C 13 58.121 0.1 . 1 . . . . 59 SER CA . 19236 1 220 . 1 1 59 59 SER CB C 13 66.676 0.1 . 1 . . . . 59 SER CB . 19236 1 221 . 1 1 59 59 SER N N 15 108.325 0.2 . 1 . . . . 59 SER N . 19236 1 222 . 1 1 60 60 MET H H 1 8.485 0.01 . 1 . . . . 60 MET H . 19236 1 223 . 1 1 60 60 MET CA C 13 56.245 0.1 . 1 . . . . 60 MET CA . 19236 1 224 . 1 1 60 60 MET CB C 13 34.293 0.1 . 1 . . . . 60 MET CB . 19236 1 225 . 1 1 60 60 MET N N 15 123.132 0.2 . 1 . . . . 60 MET N . 19236 1 226 . 1 1 61 61 ASP H H 1 8.565 0.01 . 1 . . . . 61 ASP H . 19236 1 227 . 1 1 61 61 ASP CA C 13 55.081 0.1 . 1 . . . . 61 ASP CA . 19236 1 228 . 1 1 61 61 ASP CB C 13 42.982 0.1 . 1 . . . . 61 ASP CB . 19236 1 229 . 1 1 61 61 ASP N N 15 120.178 0.2 . 1 . . . . 61 ASP N . 19236 1 230 . 1 1 62 62 GLU H H 1 8.453 0.01 . 1 . . . . 62 GLU H . 19236 1 231 . 1 1 62 62 GLU CA C 13 59.422 0.1 . 1 . . . . 62 GLU CA . 19236 1 232 . 1 1 62 62 GLU CB C 13 29.741 0.1 . 1 . . . . 62 GLU CB . 19236 1 233 . 1 1 62 62 GLU N N 15 123.513 0.2 . 1 . . . . 62 GLU N . 19236 1 234 . 1 1 63 63 ASN H H 1 8.658 0.01 . 1 . . . . 63 ASN H . 19236 1 235 . 1 1 63 63 ASN CA C 13 53.283 0.1 . 1 . . . . 63 ASN CA . 19236 1 236 . 1 1 63 63 ASN CB C 13 39.440 0.1 . 1 . . . . 63 ASN CB . 19236 1 237 . 1 1 63 63 ASN N N 15 115.415 0.2 . 1 . . . . 63 ASN N . 19236 1 238 . 1 1 64 64 ASP H H 1 7.591 0.01 . 1 . . . . 64 ASP H . 19236 1 239 . 1 1 64 64 ASP CA C 13 53.266 0.1 . 1 . . . . 64 ASP CA . 19236 1 240 . 1 1 64 64 ASP CB C 13 43.336 0.1 . 1 . . . . 64 ASP CB . 19236 1 241 . 1 1 64 64 ASP N N 15 121.715 0.2 . 1 . . . . 64 ASP N . 19236 1 242 . 1 1 65 65 LEU H H 1 8.001 0.01 . 1 . . . . 65 LEU H . 19236 1 243 . 1 1 65 65 LEU CA C 13 54.303 0.1 . 1 . . . . 65 LEU CA . 19236 1 244 . 1 1 65 65 LEU CB C 13 47.176 0.1 . 1 . . . . 65 LEU CB . 19236 1 245 . 1 1 65 65 LEU N N 15 117.363 0.2 . 1 . . . . 65 LEU N . 19236 1 246 . 1 1 66 66 LEU H H 1 8.305 0.01 . 1 . . . . 66 LEU H . 19236 1 247 . 1 1 66 66 LEU CA C 13 55.377 0.1 . 1 . . . . 66 LEU CA . 19236 1 248 . 1 1 66 66 LEU CB C 13 44.158 0.1 . 1 . . . . 66 LEU CB . 19236 1 249 . 1 1 66 66 LEU N N 15 121.330 0.2 . 1 . . . . 66 LEU N . 19236 1 250 . 1 1 67 67 SER H H 1 8.003 0.01 . 1 . . . . 67 SER H . 19236 1 251 . 1 1 67 67 SER CA C 13 56.810 0.1 . 1 . . . . 67 SER CA . 19236 1 252 . 1 1 67 67 SER CB C 13 67.736 0.1 . 1 . . . . 67 SER CB . 19236 1 253 . 1 1 67 67 SER N N 15 115.149 0.2 . 1 . . . . 67 SER N . 19236 1 254 . 1 1 68 68 GLU H H 1 8.684 0.01 . 1 . . . . 68 GLU H . 19236 1 255 . 1 1 68 68 GLU CA C 13 59.524 0.1 . 1 . . . . 68 GLU CA . 19236 1 256 . 1 1 68 68 GLU CB C 13 29.627 0.1 . 1 . . . . 68 GLU CB . 19236 1 257 . 1 1 68 68 GLU N N 15 118.192 0.2 . 1 . . . . 68 GLU N . 19236 1 258 . 1 1 69 69 ASP H H 1 7.755 0.01 . 1 . . . . 69 ASP H . 19236 1 259 . 1 1 69 69 ASP CA C 13 55.860 0.1 . 1 . . . . 69 ASP CA . 19236 1 260 . 1 1 69 69 ASP CB C 13 41.608 0.1 . 1 . . . . 69 ASP CB . 19236 1 261 . 1 1 69 69 ASP N N 15 115.081 0.2 . 1 . . . . 69 ASP N . 19236 1 262 . 1 1 70 70 GLU H H 1 7.251 0.01 . 1 . . . . 70 GLU H . 19236 1 263 . 1 1 70 70 GLU CA C 13 53.795 0.1 . 1 . . . . 70 GLU CA . 19236 1 264 . 1 1 70 70 GLU CB C 13 30.182 0.1 . 1 . . . . 70 GLU CB . 19236 1 265 . 1 1 70 70 GLU N N 15 120.192 0.2 . 1 . . . . 70 GLU N . 19236 1 266 . 1 1 71 71 PRO CA C 13 65.226 0.1 . 1 . . . . 71 PRO CA . 19236 1 267 . 1 1 71 71 PRO CB C 13 33.450 0.1 . 1 . . . . 71 PRO CB . 19236 1 268 . 1 1 72 72 SER H H 1 7.902 0.01 . 1 . . . . 72 SER H . 19236 1 269 . 1 1 72 72 SER CA C 13 56.899 0.1 . 1 . . . . 72 SER CA . 19236 1 270 . 1 1 72 72 SER CB C 13 66.605 0.1 . 1 . . . . 72 SER CB . 19236 1 271 . 1 1 72 72 SER N N 15 114.303 0.2 . 1 . . . . 72 SER N . 19236 1 272 . 1 1 73 73 PHE H H 1 9.028 0.01 . 1 . . . . 73 PHE H . 19236 1 273 . 1 1 73 73 PHE CA C 13 57.848 0.1 . 1 . . . . 73 PHE CA . 19236 1 274 . 1 1 73 73 PHE CB C 13 44.444 0.1 . 1 . . . . 73 PHE CB . 19236 1 275 . 1 1 73 73 PHE N N 15 125.482 0.2 . 1 . . . . 73 PHE N . 19236 1 276 . 1 1 74 74 LYS H H 1 7.569 0.01 . 1 . . . . 74 LYS H . 19236 1 277 . 1 1 74 74 LYS CA C 13 54.814 0.1 . 1 . . . . 74 LYS CA . 19236 1 278 . 1 1 74 74 LYS CB C 13 34.761 0.1 . 1 . . . . 74 LYS CB . 19236 1 279 . 1 1 74 74 LYS N N 15 127.513 0.2 . 1 . . . . 74 LYS N . 19236 1 280 . 1 1 75 75 ALA H H 1 8.752 0.01 . 1 . . . . 75 ALA H . 19236 1 281 . 1 1 75 75 ALA CA C 13 50.406 0.1 . 1 . . . . 75 ALA CA . 19236 1 282 . 1 1 75 75 ALA CB C 13 23.601 0.1 . 1 . . . . 75 ALA CB . 19236 1 283 . 1 1 75 75 ALA N N 15 125.627 0.2 . 1 . . . . 75 ALA N . 19236 1 284 . 1 1 76 76 LYS H H 1 8.355 0.01 . 1 . . . . 76 LYS H . 19236 1 285 . 1 1 76 76 LYS CA C 13 55.857 0.1 . 1 . . . . 76 LYS CA . 19236 1 286 . 1 1 76 76 LYS CB C 13 34.507 0.1 . 1 . . . . 76 LYS CB . 19236 1 287 . 1 1 76 76 LYS N N 15 122.016 0.2 . 1 . . . . 76 LYS N . 19236 1 288 . 1 1 77 77 VAL H H 1 8.862 0.01 . 1 . . . . 77 VAL H . 19236 1 289 . 1 1 77 77 VAL CA C 13 62.230 0.1 . 1 . . . . 77 VAL CA . 19236 1 290 . 1 1 77 77 VAL CB C 13 33.583 0.1 . 1 . . . . 77 VAL CB . 19236 1 291 . 1 1 77 77 VAL N N 15 127.975 0.2 . 1 . . . . 77 VAL N . 19236 1 292 . 1 1 78 78 SER H H 1 9.325 0.01 . 1 . . . . 78 SER H . 19236 1 293 . 1 1 78 78 SER CA C 13 59.585 0.1 . 1 . . . . 78 SER CA . 19236 1 294 . 1 1 78 78 SER CB C 13 64.549 0.1 . 1 . . . . 78 SER CB . 19236 1 295 . 1 1 78 78 SER N N 15 123.005 0.2 . 1 . . . . 78 SER N . 19236 1 296 . 1 1 79 79 THR H H 1 8.148 0.01 . 1 . . . . 79 THR H . 19236 1 297 . 1 1 79 79 THR CA C 13 61.794 0.1 . 1 . . . . 79 THR CA . 19236 1 298 . 1 1 79 79 THR CB C 13 68.798 0.1 . 1 . . . . 79 THR CB . 19236 1 299 . 1 1 79 79 THR N N 15 123.511 0.2 . 1 . . . . 79 THR N . 19236 1 300 . 1 1 80 80 PRO CA C 13 63.842 0.1 . 1 . . . . 80 PRO CA . 19236 1 301 . 1 1 80 80 PRO CB C 13 32.467 0.1 . 1 . . . . 80 PRO CB . 19236 1 302 . 1 1 81 81 GLY H H 1 8.536 0.01 . 1 . . . . 81 GLY H . 19236 1 303 . 1 1 81 81 GLY CA C 13 44.788 0.1 . 1 . . . . 81 GLY CA . 19236 1 304 . 1 1 81 81 GLY N N 15 110.361 0.2 . 1 . . . . 81 GLY N . 19236 1 305 . 1 1 82 82 THR H H 1 7.626 0.01 . 1 . . . . 82 THR H . 19236 1 306 . 1 1 82 82 THR CA C 13 62.254 0.1 . 1 . . . . 82 THR CA . 19236 1 307 . 1 1 82 82 THR CB C 13 71.008 0.1 . 1 . . . . 82 THR CB . 19236 1 308 . 1 1 82 82 THR N N 15 115.145 0.2 . 1 . . . . 82 THR N . 19236 1 309 . 1 1 83 83 TYR H H 1 9.568 0.01 . 1 . . . . 83 TYR H . 19236 1 310 . 1 1 83 83 TYR CA C 13 56.602 0.1 . 1 . . . . 83 TYR CA . 19236 1 311 . 1 1 83 83 TYR CB C 13 42.368 0.1 . 1 . . . . 83 TYR CB . 19236 1 312 . 1 1 83 83 TYR N N 15 127.963 0.2 . 1 . . . . 83 TYR N . 19236 1 313 . 1 1 84 84 THR H H 1 9.607 0.01 . 1 . . . . 84 THR H . 19236 1 314 . 1 1 84 84 THR CA C 13 61.678 0.1 . 1 . . . . 84 THR CA . 19236 1 315 . 1 1 84 84 THR CB C 13 71.153 0.1 . 1 . . . . 84 THR CB . 19236 1 316 . 1 1 84 84 THR N N 15 119.197 0.2 . 1 . . . . 84 THR N . 19236 1 317 . 1 1 85 85 PHE H H 1 8.087 0.01 . 1 . . . . 85 PHE H . 19236 1 318 . 1 1 85 85 PHE CA C 13 54.320 0.1 . 1 . . . . 85 PHE CA . 19236 1 319 . 1 1 85 85 PHE CB C 13 40.366 0.1 . 1 . . . . 85 PHE CB . 19236 1 320 . 1 1 85 85 PHE N N 15 121.440 0.2 . 1 . . . . 85 PHE N . 19236 1 321 . 1 1 86 86 TYR H H 1 8.614 0.01 . 1 . . . . 86 TYR H . 19236 1 322 . 1 1 86 86 TYR CA C 13 56.424 0.1 . 1 . . . . 86 TYR CA . 19236 1 323 . 1 1 86 86 TYR CB C 13 41.470 0.1 . 1 . . . . 86 TYR CB . 19236 1 324 . 1 1 86 86 TYR N N 15 115.120 0.2 . 1 . . . . 86 TYR N . 19236 1 325 . 1 1 87 87 CYS H H 1 7.105 0.01 . 1 . . . . 87 CYS H . 19236 1 326 . 1 1 87 87 CYS CA C 13 57.179 0.1 . 1 . . . . 87 CYS CA . 19236 1 327 . 1 1 87 87 CYS CB C 13 29.853 0.1 . 1 . . . . 87 CYS CB . 19236 1 328 . 1 1 87 87 CYS N N 15 120.076 0.2 . 1 . . . . 87 CYS N . 19236 1 329 . 1 1 88 88 THR H H 1 9.994 0.01 . 1 . . . . 88 THR H . 19236 1 330 . 1 1 88 88 THR CA C 13 69.997 0.1 . 1 . . . . 88 THR CA . 19236 1 331 . 1 1 88 88 THR CB C 13 67.198 0.1 . 1 . . . . 88 THR CB . 19236 1 332 . 1 1 88 88 THR N N 15 126.550 0.2 . 1 . . . . 88 THR N . 19236 1 333 . 1 1 89 89 PRO CA C 13 65.039 0.1 . 1 . . . . 89 PRO CA . 19236 1 334 . 1 1 89 89 PRO CB C 13 31.095 0.1 . 1 . . . . 89 PRO CB . 19236 1 335 . 1 1 90 90 HIS H H 1 7.458 0.01 . 1 . . . . 90 HIS H . 19236 1 336 . 1 1 90 90 HIS CA C 13 57.959 0.1 . 1 . . . . 90 HIS CA . 19236 1 337 . 1 1 90 90 HIS CB C 13 32.675 0.1 . 1 . . . . 90 HIS CB . 19236 1 338 . 1 1 90 90 HIS N N 15 114.706 0.2 . 1 . . . . 90 HIS N . 19236 1 339 . 1 1 91 91 LYS H H 1 7.903 0.01 . 1 . . . . 91 LYS H . 19236 1 340 . 1 1 91 91 LYS CA C 13 61.586 0.1 . 1 . . . . 91 LYS CA . 19236 1 341 . 1 1 91 91 LYS CB C 13 29.211 0.1 . 1 . . . . 91 LYS CB . 19236 1 342 . 1 1 91 91 LYS N N 15 127.989 0.2 . 1 . . . . 91 LYS N . 19236 1 343 . 1 1 92 92 SER CA C 13 60.289 0.1 . 1 . . . . 92 SER CA . 19236 1 344 . 1 1 92 92 SER CB C 13 62.363 0.1 . 1 . . . . 92 SER CB . 19236 1 345 . 1 1 93 93 ALA H H 1 7.203 0.01 . 1 . . . . 93 ALA H . 19236 1 346 . 1 1 93 93 ALA CA C 13 51.334 0.1 . 1 . . . . 93 ALA CA . 19236 1 347 . 1 1 93 93 ALA CB C 13 18.545 0.1 . 1 . . . . 93 ALA CB . 19236 1 348 . 1 1 93 93 ALA N N 15 123.720 0.2 . 1 . . . . 93 ALA N . 19236 1 349 . 1 1 94 94 ASN H H 1 8.194 0.01 . 1 . . . . 94 ASN H . 19236 1 350 . 1 1 94 94 ASN CA C 13 54.622 0.1 . 1 . . . . 94 ASN CA . 19236 1 351 . 1 1 94 94 ASN CB C 13 36.961 0.1 . 1 . . . . 94 ASN CB . 19236 1 352 . 1 1 94 94 ASN N N 15 113.992 0.2 . 1 . . . . 94 ASN N . 19236 1 353 . 1 1 95 95 MET H H 1 7.491 0.01 . 1 . . . . 95 MET H . 19236 1 354 . 1 1 95 95 MET CA C 13 56.665 0.1 . 1 . . . . 95 MET CA . 19236 1 355 . 1 1 95 95 MET CB C 13 31.085 0.1 . 1 . . . . 95 MET CB . 19236 1 356 . 1 1 95 95 MET N N 15 119.682 0.2 . 1 . . . . 95 MET N . 19236 1 357 . 1 1 96 96 LYS H H 1 7.369 0.01 . 1 . . . . 96 LYS H . 19236 1 358 . 1 1 96 96 LYS CA C 13 54.224 0.1 . 1 . . . . 96 LYS CA . 19236 1 359 . 1 1 96 96 LYS CB C 13 37.513 0.1 . 1 . . . . 96 LYS CB . 19236 1 360 . 1 1 96 96 LYS N N 15 125.538 0.2 . 1 . . . . 96 LYS N . 19236 1 361 . 1 1 97 97 GLY H H 1 8.210 0.01 . 1 . . . . 97 GLY H . 19236 1 362 . 1 1 97 97 GLY CA C 13 44.211 0.1 . 1 . . . . 97 GLY CA . 19236 1 363 . 1 1 97 97 GLY N N 15 112.752 0.2 . 1 . . . . 97 GLY N . 19236 1 364 . 1 1 98 98 THR H H 1 8.073 0.01 . 1 . . . . 98 THR H . 19236 1 365 . 1 1 98 98 THR CA C 13 61.089 0.1 . 1 . . . . 98 THR CA . 19236 1 366 . 1 1 98 98 THR CB C 13 71.568 0.1 . 1 . . . . 98 THR CB . 19236 1 367 . 1 1 98 98 THR N N 15 112.849 0.2 . 1 . . . . 98 THR N . 19236 1 368 . 1 1 99 99 LEU H H 1 9.639 0.01 . 1 . . . . 99 LEU H . 19236 1 369 . 1 1 99 99 LEU CA C 13 53.019 0.1 . 1 . . . . 99 LEU CA . 19236 1 370 . 1 1 99 99 LEU CB C 13 46.812 0.1 . 1 . . . . 99 LEU CB . 19236 1 371 . 1 1 99 99 LEU N N 15 128.843 0.2 . 1 . . . . 99 LEU N . 19236 1 372 . 1 1 100 100 THR H H 1 9.383 0.01 . 1 . . . . 100 THR H . 19236 1 373 . 1 1 100 100 THR CA C 13 62.591 0.1 . 1 . . . . 100 THR CA . 19236 1 374 . 1 1 100 100 THR CB C 13 69.821 0.1 . 1 . . . . 100 THR CB . 19236 1 375 . 1 1 100 100 THR N N 15 126.304 0.2 . 1 . . . . 100 THR N . 19236 1 376 . 1 1 101 101 VAL H H 1 9.299 0.01 . 1 . . . . 101 VAL H . 19236 1 377 . 1 1 101 101 VAL CA C 13 60.994 0.1 . 1 . . . . 101 VAL CA . 19236 1 378 . 1 1 101 101 VAL CB C 13 33.306 0.1 . 1 . . . . 101 VAL CB . 19236 1 379 . 1 1 101 101 VAL N N 15 128.898 0.2 . 1 . . . . 101 VAL N . 19236 1 380 . 1 1 102 102 LYS H H 1 8.779 0.01 . 1 . . . . 102 LYS H . 19236 1 381 . 1 1 102 102 LYS CA C 13 57.426 0.1 . 1 . . . . 102 LYS CA . 19236 1 382 . 1 1 102 102 LYS CB C 13 34.754 0.1 . 1 . . . . 102 LYS CB . 19236 1 383 . 1 1 102 102 LYS N N 15 133.482 0.2 . 1 . . . . 102 LYS N . 19236 1 stop_ save_