data_27250 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27250 _Entry.Title ; CW domain of ASHH2 methyltransferase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-09 _Entry.Accession_date 2017-09-09 _Entry.Last_release_date 2017-09-11 _Entry.Original_release_date 2017-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Olena Dobrovolska . . . . 27250 2 Oyvind Halskau . . . . 27250 3 Maxim Brilkov . . . . 27250 4 Rein Aasland . . . . 27250 5 Oyvind Stromland . . . . 27250 6 Oyvind Odegard . . . . 27250 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27250 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 144 27250 '15N chemical shifts' 74 27250 '1H chemical shifts' 74 27250 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 2 . . 2018-03-28 2017-09-09 update BMRB 'update entry citation' 27250 1 . . 2018-03-08 2017-09-09 original author 'original release' 27250 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27251 'CW42 bound to H3K4me1' 27250 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27250 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29453713 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N resonance assignments of CW domain of the N-methyltransferase ASHH2 free and bound to the mono-, di- and tri-methylated histone H3 tail peptides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _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 215 _Citation.Page_last 220 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Olena Dobrovolska . . . . 27250 1 2 Maxim Brilkov . . . . 27250 1 3 Oyvind Odegard . . . . 27250 1 4 Rein Aasland . . . . 27250 1 5 Oyvind Halskau . . . . 27250 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27250 _Assembly.ID 1 _Assembly.Name 'CW domain of ASHH2 methyltransferase' _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 'CW domain of ASHH2 methyltransferase' 1 $CW42 A . yes native no no . . . 27250 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 27250 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 19 19 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27250 1 2 coordination single . 1 . 1 CYS 22 22 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27250 1 3 coordination single . 1 . 1 CYS 44 44 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27250 1 4 coordination single . 1 . 1 CYS 55 55 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27250 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CW42 _Entity.Sf_category entity _Entity.Sf_framecode CW42 _Entity.Entry_ID 27250 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CW42 _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 ; GSRRASVGSEFTESAWVRCD DCFKWRRIPASVVGSIDESS RWICMNNSDKRFADCSKSQE MSNEEINEELGIGQDEADA ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 27250 1 2 . SER . 27250 1 3 . ARG . 27250 1 4 . ARG . 27250 1 5 . ALA . 27250 1 6 . SER . 27250 1 7 . VAL . 27250 1 8 . GLY . 27250 1 9 . SER . 27250 1 10 . GLU . 27250 1 11 . PHE . 27250 1 12 . THR . 27250 1 13 . GLU . 27250 1 14 . SER . 27250 1 15 . ALA . 27250 1 16 . TRP . 27250 1 17 . VAL . 27250 1 18 . ARG . 27250 1 19 . CYS . 27250 1 20 . ASP . 27250 1 21 . ASP . 27250 1 22 . CYS . 27250 1 23 . PHE . 27250 1 24 . LYS . 27250 1 25 . TRP . 27250 1 26 . ARG . 27250 1 27 . ARG . 27250 1 28 . ILE . 27250 1 29 . PRO . 27250 1 30 . ALA . 27250 1 31 . SER . 27250 1 32 . VAL . 27250 1 33 . VAL . 27250 1 34 . GLY . 27250 1 35 . SER . 27250 1 36 . ILE . 27250 1 37 . ASP . 27250 1 38 . GLU . 27250 1 39 . SER . 27250 1 40 . SER . 27250 1 41 . ARG . 27250 1 42 . TRP . 27250 1 43 . ILE . 27250 1 44 . CYS . 27250 1 45 . MET . 27250 1 46 . ASN . 27250 1 47 . ASN . 27250 1 48 . SER . 27250 1 49 . ASP . 27250 1 50 . LYS . 27250 1 51 . ARG . 27250 1 52 . PHE . 27250 1 53 . ALA . 27250 1 54 . ASP . 27250 1 55 . CYS . 27250 1 56 . SER . 27250 1 57 . LYS . 27250 1 58 . SER . 27250 1 59 . GLN . 27250 1 60 . GLU . 27250 1 61 . MET . 27250 1 62 . SER . 27250 1 63 . ASN . 27250 1 64 . GLU . 27250 1 65 . GLU . 27250 1 66 . ILE . 27250 1 67 . ASN . 27250 1 68 . GLU . 27250 1 69 . GLU . 27250 1 70 . LEU . 27250 1 71 . GLY . 27250 1 72 . ILE . 27250 1 73 . GLY . 27250 1 74 . GLN . 27250 1 75 . ASP . 27250 1 76 . GLU . 27250 1 77 . ALA . 27250 1 78 . ASP . 27250 1 79 . ALA . 27250 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 . GLY 1 1 27250 1 . SER 2 2 27250 1 . ARG 3 3 27250 1 . ARG 4 4 27250 1 . ALA 5 5 27250 1 . SER 6 6 27250 1 . VAL 7 7 27250 1 . GLY 8 8 27250 1 . SER 9 9 27250 1 . GLU 10 10 27250 1 . PHE 11 11 27250 1 . THR 12 12 27250 1 . GLU 13 13 27250 1 . SER 14 14 27250 1 . ALA 15 15 27250 1 . TRP 16 16 27250 1 . VAL 17 17 27250 1 . ARG 18 18 27250 1 . CYS 19 19 27250 1 . ASP 20 20 27250 1 . ASP 21 21 27250 1 . CYS 22 22 27250 1 . PHE 23 23 27250 1 . LYS 24 24 27250 1 . TRP 25 25 27250 1 . ARG 26 26 27250 1 . ARG 27 27 27250 1 . ILE 28 28 27250 1 . PRO 29 29 27250 1 . ALA 30 30 27250 1 . SER 31 31 27250 1 . VAL 32 32 27250 1 . VAL 33 33 27250 1 . GLY 34 34 27250 1 . SER 35 35 27250 1 . ILE 36 36 27250 1 . ASP 37 37 27250 1 . GLU 38 38 27250 1 . SER 39 39 27250 1 . SER 40 40 27250 1 . ARG 41 41 27250 1 . TRP 42 42 27250 1 . ILE 43 43 27250 1 . CYS 44 44 27250 1 . MET 45 45 27250 1 . ASN 46 46 27250 1 . ASN 47 47 27250 1 . SER 48 48 27250 1 . ASP 49 49 27250 1 . LYS 50 50 27250 1 . ARG 51 51 27250 1 . PHE 52 52 27250 1 . ALA 53 53 27250 1 . ASP 54 54 27250 1 . CYS 55 55 27250 1 . SER 56 56 27250 1 . LYS 57 57 27250 1 . SER 58 58 27250 1 . GLN 59 59 27250 1 . GLU 60 60 27250 1 . MET 61 61 27250 1 . SER 62 62 27250 1 . ASN 63 63 27250 1 . GLU 64 64 27250 1 . GLU 65 65 27250 1 . ILE 66 66 27250 1 . ASN 67 67 27250 1 . GLU 68 68 27250 1 . GLU 69 69 27250 1 . LEU 70 70 27250 1 . GLY 71 71 27250 1 . ILE 72 72 27250 1 . GLY 73 73 27250 1 . GLN 74 74 27250 1 . ASP 75 75 27250 1 . GLU 76 76 27250 1 . ALA 77 77 27250 1 . ASP 78 78 27250 1 . ALA 79 79 27250 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 27250 _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 27250 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 27250 2 ZN 'Three letter code' 27250 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 27250 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 27250 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CW42 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 27250 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 27250 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CW42 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pSXG . . . 27250 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 27250 _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.Atom_nomenclature_source . _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 27250 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 27250 ZN [Zn++] SMILES CACTVS 3.341 27250 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 27250 ZN [Zn+2] SMILES ACDLabs 10.04 27250 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 27250 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27250 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 27250 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27250 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 . 27250 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27250 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 CW42 '[U-99% 13C; U-99% 15N]' . . 1 $CW42 . . 1 . . mM . . . . 27250 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27250 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27250 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 27250 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 27250 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27250 1 pH 6.4 . pH 27250 1 pressure 1 . atm 27250 1 temperature 298 . K 27250 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27250 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.5 pI5' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27250 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27250 1 processing 27250 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 27250 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27250 _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 Ascend . 850 . . . 27250 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 27250 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27250 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27250 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27250 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27250 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.00 na indirect 0.2514 . . . . . 27250 1 H 1 water protons . . . . ppm 0.00 na direct 1.000000000 . . . . . 27250 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101 . . . . . 27250 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 27250 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27250 1 2 '3D HNCACB' . . . 27250 1 3 '3D CBCA(CO)NH' . . . 27250 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.Ambiguity_set_ID _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 4 4 ARG H H 1 8.675 0.020 . 1 . . . . . 4 ARG H . 27250 1 2 . 1 1 4 4 ARG CA C 13 52.848 0.3 . 1 . . . . . 4 ARG CA . 27250 1 3 . 1 1 4 4 ARG CB C 13 29.414 0.3 . 1 . . . . . 4 ARG CB . 27250 1 4 . 1 1 4 4 ARG N N 15 122.099 0.3 . 1 . . . . . 4 ARG N . 27250 1 5 . 1 1 5 5 ALA H H 1 8.407 0.020 . 1 . . . . . 5 ALA H . 27250 1 6 . 1 1 5 5 ALA CA C 13 49.110 0.3 . 1 . . . . . 5 ALA CA . 27250 1 7 . 1 1 5 5 ALA CB C 13 17.553 0.3 . 1 . . . . . 5 ALA CB . 27250 1 8 . 1 1 5 5 ALA N N 15 124.583 0.3 . 1 . . . . . 5 ALA N . 27250 1 9 . 1 1 6 6 SER H H 1 8.489 0.020 . 1 . . . . . 6 SER H . 27250 1 10 . 1 1 6 6 SER CA C 13 55.364 0.3 . 1 . . . . . 6 SER CA . 27250 1 11 . 1 1 6 6 SER CB C 13 61.618 0.3 . 1 . . . . . 6 SER CB . 27250 1 12 . 1 1 6 6 SER N N 15 115.778 0.3 . 1 . . . . . 6 SER N . 27250 1 13 . 1 1 7 7 VAL H H 1 8.269 0.020 . 1 . . . . . 7 VAL H . 27250 1 14 . 1 1 7 7 VAL CA C 13 59.389 0.3 . 1 . . . . . 7 VAL CA . 27250 1 15 . 1 1 7 7 VAL CB C 13 30.061 0.3 . 1 . . . . . 7 VAL CB . 27250 1 16 . 1 1 7 7 VAL N N 15 120.974 0.3 . 1 . . . . . 7 VAL N . 27250 1 17 . 1 1 8 8 GLY H H 1 8.512 0.020 . 1 . . . . . 8 GLY H . 27250 1 18 . 1 1 8 8 GLY CA C 13 42.497 0.3 . 1 . . . . . 8 GLY CA . 27250 1 19 . 1 1 8 8 GLY N N 15 112.384 0.3 . 1 . . . . . 8 GLY N . 27250 1 20 . 1 1 9 9 SER H H 1 8.145 0.020 . 1 . . . . . 9 SER H . 27250 1 21 . 1 1 9 9 SER CA C 13 55.723 0.3 . 1 . . . . . 9 SER CA . 27250 1 22 . 1 1 9 9 SER CB C 13 61.258 0.3 . 1 . . . . . 9 SER CB . 27250 1 23 . 1 1 9 9 SER N N 15 115.528 0.3 . 1 . . . . . 9 SER N . 27250 1 24 . 1 1 10 10 GLU H H 1 8.614 0.020 . 1 . . . . . 10 GLU H . 27250 1 25 . 1 1 10 10 GLU CA C 13 54.429 0.3 . 1 . . . . . 10 GLU CA . 27250 1 26 . 1 1 10 10 GLU CB C 13 26.826 0.3 . 1 . . . . . 10 GLU CB . 27250 1 27 . 1 1 10 10 GLU N N 15 122.023 0.3 . 1 . . . . . 10 GLU N . 27250 1 28 . 1 1 11 11 PHE H H 1 8.114 0.020 . 1 . . . . . 11 PHE H . 27250 1 29 . 1 1 11 11 PHE CA C 13 54.789 0.3 . 1 . . . . . 11 PHE CA . 27250 1 30 . 1 1 11 11 PHE CB C 13 36.243 0.3 . 1 . . . . . 11 PHE CB . 27250 1 31 . 1 1 11 11 PHE N N 15 119.220 0.3 . 1 . . . . . 11 PHE N . 27250 1 32 . 1 1 12 12 THR H H 1 7.700 0.020 . 1 . . . . . 12 THR H . 27250 1 33 . 1 1 12 12 THR CA C 13 59.102 0.3 . 1 . . . . . 12 THR CA . 27250 1 34 . 1 1 12 12 THR CB C 13 66.937 0.3 . 1 . . . . . 12 THR CB . 27250 1 35 . 1 1 12 12 THR N N 15 113.895 0.3 . 1 . . . . . 12 THR N . 27250 1 36 . 1 1 13 13 GLU H H 1 8.361 0.020 . 1 . . . . . 13 GLU H . 27250 1 37 . 1 1 13 13 GLU CA C 13 54.286 0.3 . 1 . . . . . 13 GLU CA . 27250 1 38 . 1 1 13 13 GLU CB C 13 27.186 0.3 . 1 . . . . . 13 GLU CB . 27250 1 39 . 1 1 13 13 GLU N N 15 121.779 0.3 . 1 . . . . . 13 GLU N . 27250 1 40 . 1 1 14 14 SER H H 1 8.065 0.020 . 1 . . . . . 14 SER H . 27250 1 41 . 1 1 14 14 SER CA C 13 55.292 0.3 . 1 . . . . . 14 SER CA . 27250 1 42 . 1 1 14 14 SER CB C 13 62.768 0.3 . 1 . . . . . 14 SER CB . 27250 1 43 . 1 1 14 14 SER N N 15 116.039 0.3 . 1 . . . . . 14 SER N . 27250 1 44 . 1 1 15 15 ALA H H 1 8.715 0.020 . 1 . . . . . 15 ALA H . 27250 1 45 . 1 1 15 15 ALA CA C 13 47.888 0.3 . 1 . . . . . 15 ALA CA . 27250 1 46 . 1 1 15 15 ALA CB C 13 19.638 0.3 . 1 . . . . . 15 ALA CB . 27250 1 47 . 1 1 15 15 ALA N N 15 125.512 0.3 . 1 . . . . . 15 ALA N . 27250 1 48 . 1 1 16 16 TRP H H 1 8.386 0.020 . 1 . . . . . 16 TRP H . 27250 1 49 . 1 1 16 16 TRP CA C 13 53.207 0.3 . 1 . . . . . 16 TRP CA . 27250 1 50 . 1 1 16 16 TRP CB C 13 29.702 0.3 . 1 . . . . . 16 TRP CB . 27250 1 51 . 1 1 16 16 TRP N N 15 118.404 0.3 . 1 . . . . . 16 TRP N . 27250 1 52 . 1 1 17 17 VAL H H 1 9.231 0.020 . 1 . . . . . 17 VAL H . 27250 1 53 . 1 1 17 17 VAL CA C 13 56.658 0.3 . 1 . . . . . 17 VAL CA . 27250 1 54 . 1 1 17 17 VAL CB C 13 32.361 0.3 . 1 . . . . . 17 VAL CB . 27250 1 55 . 1 1 17 17 VAL N N 15 120.864 0.3 . 1 . . . . . 17 VAL N . 27250 1 56 . 1 1 18 18 ARG H H 1 7.841 0.020 . 1 . . . . . 18 ARG H . 27250 1 57 . 1 1 18 18 ARG CA C 13 51.195 0.3 . 1 . . . . . 18 ARG CA . 27250 1 58 . 1 1 18 18 ARG CB C 13 28.695 0.3 . 1 . . . . . 18 ARG CB . 27250 1 59 . 1 1 18 18 ARG N N 15 126.882 0.3 . 1 . . . . . 18 ARG N . 27250 1 60 . 1 1 19 19 CYS H H 1 8.629 0.020 . 1 . . . . . 19 CYS H . 27250 1 61 . 1 1 19 19 CYS CA C 13 57.089 0.3 . 1 . . . . . 19 CYS CA . 27250 1 62 . 1 1 19 19 CYS CB C 13 29.270 0.3 . 1 . . . . . 19 CYS CB . 27250 1 63 . 1 1 19 19 CYS N N 15 127.838 0.3 . 1 . . . . . 19 CYS N . 27250 1 64 . 1 1 20 20 ASP H H 1 9.441 0.020 . 1 . . . . . 20 ASP H . 27250 1 65 . 1 1 20 20 ASP CA C 13 54.717 0.3 . 1 . . . . . 20 ASP CA . 27250 1 66 . 1 1 20 20 ASP CB C 13 39.478 0.3 . 1 . . . . . 20 ASP CB . 27250 1 67 . 1 1 20 20 ASP N N 15 128.591 0.3 . 1 . . . . . 20 ASP N . 27250 1 68 . 1 1 21 21 ASP H H 1 9.402 0.020 . 1 . . . . . 21 ASP H . 27250 1 69 . 1 1 21 21 ASP CA C 13 53.064 0.3 . 1 . . . . . 21 ASP CA . 27250 1 70 . 1 1 21 21 ASP CB C 13 39.334 0.3 . 1 . . . . . 21 ASP CB . 27250 1 71 . 1 1 21 21 ASP N N 15 121.415 0.3 . 1 . . . . . 21 ASP N . 27250 1 72 . 1 1 22 22 CYS H H 1 9.036 0.020 . 1 . . . . . 22 CYS H . 27250 1 73 . 1 1 22 22 CYS CA C 13 56.227 0.3 . 1 . . . . . 22 CYS CA . 27250 1 74 . 1 1 22 22 CYS CB C 13 29.414 0.3 . 1 . . . . . 22 CYS CB . 27250 1 75 . 1 1 22 22 CYS N N 15 121.689 0.3 . 1 . . . . . 22 CYS N . 27250 1 76 . 1 1 23 23 PHE H H 1 7.585 0.020 . 1 . . . . . 23 PHE H . 27250 1 77 . 1 1 23 23 PHE CA C 13 56.442 0.3 . 1 . . . . . 23 PHE CA . 27250 1 78 . 1 1 23 23 PHE CB C 13 33.440 0.3 . 1 . . . . . 23 PHE CB . 27250 1 79 . 1 1 23 23 PHE N N 15 118.536 0.3 . 1 . . . . . 23 PHE N . 27250 1 80 . 1 1 24 24 LYS H H 1 8.581 0.020 . 1 . . . . . 24 LYS H . 27250 1 81 . 1 1 24 24 LYS CA C 13 55.148 0.3 . 1 . . . . . 24 LYS CA . 27250 1 82 . 1 1 24 24 LYS CB C 13 31.283 0.3 . 1 . . . . . 24 LYS CB . 27250 1 83 . 1 1 24 24 LYS N N 15 121.279 0.3 . 1 . . . . . 24 LYS N . 27250 1 84 . 1 1 25 25 TRP H H 1 8.503 0.020 . 1 . . . . . 25 TRP H . 27250 1 85 . 1 1 25 25 TRP CA C 13 53.904 0.3 . 1 . . . . . 25 TRP CA . 27250 1 86 . 1 1 25 25 TRP CB C 13 28.551 0.3 . 1 . . . . . 25 TRP CB . 27250 1 87 . 1 1 25 25 TRP N N 15 120.733 0.3 . 1 . . . . . 25 TRP N . 27250 1 88 . 1 1 26 26 ARG H H 1 9.971 0.020 . 1 . . . . . 26 ARG H . 27250 1 89 . 1 1 26 26 ARG CA C 13 50.332 0.3 . 1 . . . . . 26 ARG CA . 27250 1 90 . 1 1 26 26 ARG CB C 13 30.277 0.3 . 1 . . . . . 26 ARG CB . 27250 1 91 . 1 1 26 26 ARG N N 15 121.959 0.3 . 1 . . . . . 26 ARG N . 27250 1 92 . 1 1 27 27 ARG H H 1 8.137 0.020 . 1 . . . . . 27 ARG H . 27250 1 93 . 1 1 27 27 ARG CA C 13 53.064 0.3 . 1 . . . . . 27 ARG CA . 27250 1 94 . 1 1 27 27 ARG CB C 13 27.833 0.3 . 1 . . . . . 27 ARG CB . 27250 1 95 . 1 1 27 27 ARG N N 15 126.402 0.3 . 1 . . . . . 27 ARG N . 27250 1 96 . 1 1 28 28 ILE H H 1 8.557 0.020 . 1 . . . . . 28 ILE H . 27250 1 97 . 1 1 28 28 ILE CA C 13 54.717 0.3 . 1 . . . . . 28 ILE CA . 27250 1 98 . 1 1 28 28 ILE CB C 13 37.537 0.3 . 1 . . . . . 28 ILE CB . 27250 1 99 . 1 1 28 28 ILE N N 15 124.696 0.3 . 1 . . . . . 28 ILE N . 27250 1 100 . 1 1 30 30 ALA H H 1 8.404 0.020 . 1 . . . . . 30 ALA H . 27250 1 101 . 1 1 30 30 ALA CA C 13 51.770 0.3 . 1 . . . . . 30 ALA CA . 27250 1 102 . 1 1 30 30 ALA CB C 13 15.253 0.3 . 1 . . . . . 30 ALA CB . 27250 1 103 . 1 1 30 30 ALA N N 15 126.056 0.3 . 1 . . . . . 30 ALA N . 27250 1 104 . 1 1 31 31 SER H H 1 8.231 0.020 . 1 . . . . . 31 SER H . 27250 1 105 . 1 1 31 31 SER CA C 13 57.233 0.3 . 1 . . . . . 31 SER CA . 27250 1 106 . 1 1 31 31 SER CB C 13 59.964 0.3 . 1 . . . . . 31 SER CB . 27250 1 107 . 1 1 31 31 SER N N 15 110.949 0.3 . 1 . . . . . 31 SER N . 27250 1 108 . 1 1 32 32 VAL H H 1 7.483 0.020 . 1 . . . . . 32 VAL H . 27250 1 109 . 1 1 32 32 VAL CA C 13 60.036 0.3 . 1 . . . . . 32 VAL CA . 27250 1 110 . 1 1 32 32 VAL CB C 13 29.558 0.3 . 1 . . . . . 32 VAL CB . 27250 1 111 . 1 1 32 32 VAL N N 15 119.088 0.3 . 1 . . . . . 32 VAL N . 27250 1 112 . 1 1 33 33 VAL H H 1 7.350 0.020 . 1 . . . . . 33 VAL H . 27250 1 113 . 1 1 33 33 VAL CA C 13 62.552 0.3 . 1 . . . . . 33 VAL CA . 27250 1 114 . 1 1 33 33 VAL CB C 13 29.055 0.3 . 1 . . . . . 33 VAL CB . 27250 1 115 . 1 1 33 33 VAL N N 15 121.755 0.3 . 1 . . . . . 33 VAL N . 27250 1 116 . 1 1 34 34 GLY H H 1 8.317 0.020 . 1 . . . . . 34 GLY H . 27250 1 117 . 1 1 34 34 GLY CA C 13 43.144 0.3 . 1 . . . . . 34 GLY CA . 27250 1 118 . 1 1 34 34 GLY N N 15 108.420 0.3 . 1 . . . . . 34 GLY N . 27250 1 119 . 1 1 35 35 SER H H 1 7.813 0.020 . 1 . . . . . 35 SER H . 27250 1 120 . 1 1 35 35 SER CA C 13 56.083 0.3 . 1 . . . . . 35 SER CA . 27250 1 121 . 1 1 35 35 SER CB C 13 61.330 0.3 . 1 . . . . . 35 SER CB . 27250 1 122 . 1 1 35 35 SER N N 15 114.641 0.3 . 1 . . . . . 35 SER N . 27250 1 123 . 1 1 36 36 ILE H H 1 7.595 0.020 . 1 . . . . . 36 ILE H . 27250 1 124 . 1 1 36 36 ILE CA C 13 58.814 0.3 . 1 . . . . . 36 ILE CA . 27250 1 125 . 1 1 36 36 ILE CB C 13 35.380 0.3 . 1 . . . . . 36 ILE CB . 27250 1 126 . 1 1 36 36 ILE N N 15 123.323 0.3 . 1 . . . . . 36 ILE N . 27250 1 127 . 1 1 37 37 ASP H H 1 8.419 0.020 . 1 . . . . . 37 ASP H . 27250 1 128 . 1 1 37 37 ASP CA C 13 51.698 0.3 . 1 . . . . . 37 ASP CA . 27250 1 129 . 1 1 37 37 ASP CB C 13 38.687 0.3 . 1 . . . . . 37 ASP CB . 27250 1 130 . 1 1 37 37 ASP N N 15 125.650 0.3 . 1 . . . . . 37 ASP N . 27250 1 131 . 1 1 38 38 GLU H H 1 8.560 0.020 . 1 . . . . . 38 GLU H . 27250 1 132 . 1 1 38 38 GLU CA C 13 55.431 0.3 . 1 . . . . . 38 GLU CA . 27250 1 133 . 1 1 38 38 GLU CB C 13 26.989 0.3 . 1 . . . . . 38 GLU CB . 27250 1 134 . 1 1 38 38 GLU N N 15 122.162 0.3 . 1 . . . . . 38 GLU N . 27250 1 135 . 1 1 39 39 SER H H 1 8.301 0.020 . 1 . . . . . 39 SER H . 27250 1 136 . 1 1 39 39 SER CA C 13 56.011 0.3 . 1 . . . . . 39 SER CA . 27250 1 137 . 1 1 39 39 SER CB C 13 61.115 0.3 . 1 . . . . . 39 SER CB . 27250 1 138 . 1 1 39 39 SER N N 15 114.367 0.3 . 1 . . . . . 39 SER N . 27250 1 139 . 1 1 40 40 SER H H 1 8.637 0.020 . 1 . . . . . 40 SER H . 27250 1 140 . 1 1 40 40 SER CA C 13 55.723 0.3 . 1 . . . . . 40 SER CA . 27250 1 141 . 1 1 40 40 SER CB C 13 61.402 0.3 . 1 . . . . . 40 SER CB . 27250 1 142 . 1 1 40 40 SER N N 15 122.302 0.3 . 1 . . . . . 40 SER N . 27250 1 143 . 1 1 41 41 ARG H H 1 8.250 0.020 . 1 . . . . . 41 ARG H . 27250 1 144 . 1 1 41 41 ARG CA C 13 53.136 0.3 . 1 . . . . . 41 ARG CA . 27250 1 145 . 1 1 41 41 ARG CB C 13 28.695 0.3 . 1 . . . . . 41 ARG CB . 27250 1 146 . 1 1 41 41 ARG N N 15 123.202 0.3 . 1 . . . . . 41 ARG N . 27250 1 147 . 1 1 42 42 TRP H H 1 9.152 0.020 . 1 . . . . . 42 TRP H . 27250 1 148 . 1 1 42 42 TRP CA C 13 57.017 0.3 . 1 . . . . . 42 TRP CA . 27250 1 149 . 1 1 42 42 TRP CB C 13 29.127 0.3 . 1 . . . . . 42 TRP CB . 27250 1 150 . 1 1 42 42 TRP N N 15 129.615 0.3 . 1 . . . . . 42 TRP N . 27250 1 151 . 1 1 43 43 ILE H H 1 7.022 0.020 . 1 . . . . . 43 ILE H . 27250 1 152 . 1 1 43 43 ILE CA C 13 55.292 0.3 . 1 . . . . . 43 ILE CA . 27250 1 153 . 1 1 43 43 ILE CB C 13 40.053 0.3 . 1 . . . . . 43 ILE CB . 27250 1 154 . 1 1 43 43 ILE N N 15 119.426 0.3 . 1 . . . . . 43 ILE N . 27250 1 155 . 1 1 44 44 CYS H H 1 8.482 0.020 . 1 . . . . . 44 CYS H . 27250 1 156 . 1 1 44 44 CYS CA C 13 64.062 0.3 . 1 . . . . . 44 CYS CA . 27250 1 157 . 1 1 44 44 CYS CB C 13 26.754 0.3 . 1 . . . . . 44 CYS CB . 27250 1 158 . 1 1 44 44 CYS N N 15 121.125 0.3 . 1 . . . . . 44 CYS N . 27250 1 159 . 1 1 45 45 MET H H 1 7.606 0.020 . 1 . . . . . 45 MET H . 27250 1 160 . 1 1 45 45 MET CA C 13 55.076 0.3 . 1 . . . . . 45 MET CA . 27250 1 161 . 1 1 45 45 MET CB C 13 29.558 0.3 . 1 . . . . . 45 MET CB . 27250 1 162 . 1 1 45 45 MET N N 15 113.203 0.3 . 1 . . . . . 45 MET N . 27250 1 163 . 1 1 46 46 ASN H H 1 8.126 0.020 . 1 . . . . . 46 ASN H . 27250 1 164 . 1 1 46 46 ASN CA C 13 51.051 0.3 . 1 . . . . . 46 ASN CA . 27250 1 165 . 1 1 46 46 ASN CB C 13 35.668 0.3 . 1 . . . . . 46 ASN CB . 27250 1 166 . 1 1 46 46 ASN N N 15 116.498 0.3 . 1 . . . . . 46 ASN N . 27250 1 167 . 1 1 47 47 ASN H H 1 8.029 0.020 . 1 . . . . . 47 ASN H . 27250 1 168 . 1 1 47 47 ASN CA C 13 51.051 0.3 . 1 . . . . . 47 ASN CA . 27250 1 169 . 1 1 47 47 ASN CB C 13 36.027 0.3 . 1 . . . . . 47 ASN CB . 27250 1 170 . 1 1 47 47 ASN N N 15 121.755 0.3 . 1 . . . . . 47 ASN N . 27250 1 171 . 1 1 48 48 SER H H 1 8.704 0.020 . 1 . . . . . 48 SER H . 27250 1 172 . 1 1 48 48 SER CA C 13 57.520 0.3 . 1 . . . . . 48 SER CA . 27250 1 173 . 1 1 48 48 SER CB C 13 60.539 0.3 . 1 . . . . . 48 SER CB . 27250 1 174 . 1 1 48 48 SER N N 15 121.826 0.3 . 1 . . . . . 48 SER N . 27250 1 175 . 1 1 49 49 ASP H H 1 7.673 0.020 . 1 . . . . . 49 ASP H . 27250 1 176 . 1 1 49 49 ASP CA C 13 49.901 0.3 . 1 . . . . . 49 ASP CA . 27250 1 177 . 1 1 49 49 ASP CB C 13 37.537 0.3 . 1 . . . . . 49 ASP CB . 27250 1 178 . 1 1 49 49 ASP N N 15 121.208 0.3 . 1 . . . . . 49 ASP N . 27250 1 179 . 1 1 50 50 LYS H H 1 8.403 0.020 . 1 . . . . . 50 LYS H . 27250 1 180 . 1 1 50 50 LYS CA C 13 54.429 0.3 . 1 . . . . . 50 LYS CA . 27250 1 181 . 1 1 50 50 LYS CB C 13 28.048 0.3 . 1 . . . . . 50 LYS CB . 27250 1 182 . 1 1 50 50 LYS N N 15 123.941 0.3 . 1 . . . . . 50 LYS N . 27250 1 183 . 1 1 51 51 ARG H H 1 7.958 0.020 . 1 . . . . . 51 ARG H . 27250 1 184 . 1 1 51 51 ARG CA C 13 55.436 0.3 . 1 . . . . . 51 ARG CA . 27250 1 185 . 1 1 51 51 ARG CB C 13 27.905 0.3 . 1 . . . . . 51 ARG CB . 27250 1 186 . 1 1 51 51 ARG N N 15 118.402 0.3 . 1 . . . . . 51 ARG N . 27250 1 187 . 1 1 52 52 PHE H H 1 7.458 0.020 . 1 . . . . . 52 PHE H . 27250 1 188 . 1 1 52 52 PHE CA C 13 52.920 0.3 . 1 . . . . . 52 PHE CA . 27250 1 189 . 1 1 52 52 PHE CB C 13 38.184 0.3 . 1 . . . . . 52 PHE CB . 27250 1 190 . 1 1 52 52 PHE N N 15 114.228 0.3 . 1 . . . . . 52 PHE N . 27250 1 191 . 1 1 53 53 ALA H H 1 7.245 0.020 . 1 . . . . . 53 ALA H . 27250 1 192 . 1 1 53 53 ALA CA C 13 48.535 0.3 . 1 . . . . . 53 ALA CA . 27250 1 193 . 1 1 53 53 ALA CB C 13 16.763 0.3 . 1 . . . . . 53 ALA CB . 27250 1 194 . 1 1 53 53 ALA N N 15 122.845 0.3 . 1 . . . . . 53 ALA N . 27250 1 195 . 1 1 54 54 ASP H H 1 7.154 0.020 . 1 . . . . . 54 ASP H . 27250 1 196 . 1 1 54 54 ASP CA C 13 51.267 0.3 . 1 . . . . . 54 ASP CA . 27250 1 197 . 1 1 54 54 ASP CB C 13 42.425 0.3 . 1 . . . . . 54 ASP CB . 27250 1 198 . 1 1 54 54 ASP N N 15 114.001 0.3 . 1 . . . . . 54 ASP N . 27250 1 199 . 1 1 55 55 CYS H H 1 8.449 0.020 . 1 . . . . . 55 CYS H . 27250 1 200 . 1 1 55 55 CYS CA C 13 60.036 0.3 . 1 . . . . . 55 CYS CA . 27250 1 201 . 1 1 55 55 CYS CB C 13 27.976 0.3 . 1 . . . . . 55 CYS CB . 27250 1 202 . 1 1 55 55 CYS N N 15 124.875 0.3 . 1 . . . . . 55 CYS N . 27250 1 203 . 1 1 56 56 SER H H 1 8.777 0.020 . 1 . . . . . 56 SER H . 27250 1 204 . 1 1 56 56 SER CA C 13 56.945 0.3 . 1 . . . . . 56 SER CA . 27250 1 205 . 1 1 56 56 SER CB C 13 60.755 0.3 . 1 . . . . . 56 SER CB . 27250 1 206 . 1 1 56 56 SER N N 15 113.000 0.3 . 1 . . . . . 56 SER N . 27250 1 207 . 1 1 57 57 LYS H H 1 7.569 0.020 . 1 . . . . . 57 LYS H . 27250 1 208 . 1 1 57 57 LYS CA C 13 51.626 0.3 . 1 . . . . . 57 LYS CA . 27250 1 209 . 1 1 57 57 LYS CB C 13 28.695 0.3 . 1 . . . . . 57 LYS CB . 27250 1 210 . 1 1 57 57 LYS N N 15 122.786 0.3 . 1 . . . . . 57 LYS N . 27250 1 211 . 1 1 59 59 GLN H H 1 8.984 0.020 . 1 . . . . . 59 GLN H . 27250 1 212 . 1 1 59 59 GLN CA C 13 55.076 0.3 . 1 . . . . . 59 GLN CA . 27250 1 213 . 1 1 59 59 GLN CB C 13 28.695 0.3 . 1 . . . . . 59 GLN CB . 27250 1 214 . 1 1 59 59 GLN N N 15 123.733 0.3 . 1 . . . . . 59 GLN N . 27250 1 215 . 1 1 60 60 GLU H H 1 9.464 0.020 . 1 . . . . . 60 GLU H . 27250 1 216 . 1 1 60 60 GLU CA C 13 56.586 0.3 . 1 . . . . . 60 GLU CA . 27250 1 217 . 1 1 60 60 GLU CB C 13 28.767 0.3 . 1 . . . . . 60 GLU CB . 27250 1 218 . 1 1 60 60 GLU N N 15 127.383 0.3 . 1 . . . . . 60 GLU N . 27250 1 219 . 1 1 61 61 MET H H 1 7.037 0.020 . 1 . . . . . 61 MET H . 27250 1 220 . 1 1 61 61 MET CA C 13 50.979 0.3 . 1 . . . . . 61 MET CA . 27250 1 221 . 1 1 61 61 MET CB C 13 34.158 0.3 . 1 . . . . . 61 MET CB . 27250 1 222 . 1 1 61 61 MET N N 15 112.323 0.3 . 1 . . . . . 61 MET N . 27250 1 223 . 1 1 62 62 SER H H 1 8.785 0.020 . 1 . . . . . 62 SER H . 27250 1 224 . 1 1 62 62 SER CA C 13 55.148 0.3 . 1 . . . . . 62 SER CA . 27250 1 225 . 1 1 62 62 SER CB C 13 62.337 0.3 . 1 . . . . . 62 SER CB . 27250 1 226 . 1 1 62 62 SER N N 15 116.560 0.3 . 1 . . . . . 62 SER N . 27250 1 227 . 1 1 63 63 ASN H H 1 9.012 0.020 . 1 . . . . . 63 ASN H . 27250 1 228 . 1 1 63 63 ASN CA C 13 53.351 0.3 . 1 . . . . . 63 ASN CA . 27250 1 229 . 1 1 63 63 ASN CB C 13 34.662 0.3 . 1 . . . . . 63 ASN CB . 27250 1 230 . 1 1 63 63 ASN N N 15 119.635 0.3 . 1 . . . . . 63 ASN N . 27250 1 231 . 1 1 64 64 GLU H H 1 8.746 0.020 . 1 . . . . . 64 GLU H . 27250 1 232 . 1 1 64 64 GLU CA C 13 57.592 0.3 . 1 . . . . . 64 GLU CA . 27250 1 233 . 1 1 64 64 GLU CB C 13 25.964 0.3 . 1 . . . . . 64 GLU CB . 27250 1 234 . 1 1 64 64 GLU N N 15 118.606 0.3 . 1 . . . . . 64 GLU N . 27250 1 235 . 1 1 65 65 GLU H H 1 7.569 0.020 . 1 . . . . . 65 GLU H . 27250 1 236 . 1 1 65 65 GLU CA C 13 56.083 0.3 . 1 . . . . . 65 GLU CA . 27250 1 237 . 1 1 65 65 GLU CB C 13 27.401 0.3 . 1 . . . . . 65 GLU CB . 27250 1 238 . 1 1 65 65 GLU N N 15 120.726 0.3 . 1 . . . . . 65 GLU N . 27250 1 239 . 1 1 66 66 ILE H H 1 7.888 0.020 . 1 . . . . . 66 ILE H . 27250 1 240 . 1 1 66 66 ILE CA C 13 62.193 0.3 . 1 . . . . . 66 ILE CA . 27250 1 241 . 1 1 66 66 ILE CB C 13 34.446 0.3 . 1 . . . . . 66 ILE CB . 27250 1 242 . 1 1 66 66 ILE N N 15 122.642 0.3 . 1 . . . . . 66 ILE N . 27250 1 243 . 1 1 67 67 ASN H H 1 7.771 0.020 . 1 . . . . . 67 ASN H . 27250 1 244 . 1 1 67 67 ASN CA C 13 52.776 0.3 . 1 . . . . . 67 ASN CA . 27250 1 245 . 1 1 67 67 ASN CB C 13 34.374 0.3 . 1 . . . . . 67 ASN CB . 27250 1 246 . 1 1 67 67 ASN N N 15 117.993 0.3 . 1 . . . . . 67 ASN N . 27250 1 247 . 1 1 68 68 GLU H H 1 7.515 0.020 . 1 . . . . . 68 GLU H . 27250 1 248 . 1 1 68 68 GLU CA C 13 56.083 0.3 . 1 . . . . . 68 GLU CA . 27250 1 249 . 1 1 68 68 GLU CB C 13 26.467 0.3 . 1 . . . . . 68 GLU CB . 27250 1 250 . 1 1 68 68 GLU N N 15 119.109 0.3 . 1 . . . . . 68 GLU N . 27250 1 251 . 1 1 69 69 GLU H H 1 7.731 0.020 . 1 . . . . . 69 GLU H . 27250 1 252 . 1 1 69 69 GLU CA C 13 56.442 0.3 . 1 . . . . . 69 GLU CA . 27250 1 253 . 1 1 69 69 GLU CB C 13 26.539 0.3 . 1 . . . . . 69 GLU CB . 27250 1 254 . 1 1 69 69 GLU N N 15 121.208 0.3 . 1 . . . . . 69 GLU N . 27250 1 255 . 1 1 70 70 LEU H H 1 7.896 0.020 . 1 . . . . . 70 LEU H . 27250 1 256 . 1 1 70 70 LEU CA C 13 52.632 0.3 . 1 . . . . . 70 LEU CA . 27250 1 257 . 1 1 70 70 LEU CB C 13 40.053 0.3 . 1 . . . . . 70 LEU CB . 27250 1 258 . 1 1 70 70 LEU N N 15 116.551 0.3 . 1 . . . . . 70 LEU N . 27250 1 259 . 1 1 71 71 GLY H H 1 7.712 0.020 . 1 . . . . . 71 GLY H . 27250 1 260 . 1 1 71 71 GLY CA C 13 43.216 0.3 . 1 . . . . . 71 GLY CA . 27250 1 261 . 1 1 71 71 GLY N N 15 108.216 0.3 . 1 . . . . . 71 GLY N . 27250 1 262 . 1 1 72 72 ILE H H 1 7.739 0.020 . 1 . . . . . 72 ILE H . 27250 1 263 . 1 1 72 72 ILE CA C 13 58.239 0.3 . 1 . . . . . 72 ILE CA . 27250 1 264 . 1 1 72 72 ILE CB C 13 36.027 0.3 . 1 . . . . . 72 ILE CB . 27250 1 265 . 1 1 72 72 ILE N N 15 118.811 0.3 . 1 . . . . . 72 ILE N . 27250 1 266 . 1 1 73 73 GLY H H 1 8.395 0.020 . 1 . . . . . 73 GLY H . 27250 1 267 . 1 1 73 73 GLY CA C 13 42.281 0.3 . 1 . . . . . 73 GLY CA . 27250 1 268 . 1 1 73 73 GLY N N 15 112.760 0.3 . 1 . . . . . 73 GLY N . 27250 1 269 . 1 1 74 74 GLN H H 1 8.161 0.020 . 1 . . . . . 74 GLN H . 27250 1 270 . 1 1 74 74 GLN CA C 13 53.136 0.3 . 1 . . . . . 74 GLN CA . 27250 1 271 . 1 1 74 74 GLN CB C 13 26.611 0.3 . 1 . . . . . 74 GLN CB . 27250 1 272 . 1 1 74 74 GLN N N 15 119.388 0.3 . 1 . . . . . 74 GLN N . 27250 1 273 . 1 1 75 75 ASP H H 1 8.395 0.020 . 1 . . . . . 75 ASP H . 27250 1 274 . 1 1 75 75 ASP CA C 13 51.698 0.3 . 1 . . . . . 75 ASP CA . 27250 1 275 . 1 1 75 75 ASP CB C 13 38.256 0.3 . 1 . . . . . 75 ASP CB . 27250 1 276 . 1 1 75 75 ASP N N 15 121.074 0.3 . 1 . . . . . 75 ASP N . 27250 1 277 . 1 1 76 76 GLU H H 1 8.209 0.020 . 1 . . . . . 76 GLU H . 27250 1 278 . 1 1 76 76 GLU CA C 13 53.854 0.3 . 1 . . . . . 76 GLU CA . 27250 1 279 . 1 1 76 76 GLU CB C 13 27.401 0.3 . 1 . . . . . 76 GLU CB . 27250 1 280 . 1 1 76 76 GLU N N 15 121.273 0.3 . 1 . . . . . 76 GLU N . 27250 1 281 . 1 1 77 77 ALA H H 1 8.209 0.020 . 1 . . . . . 77 ALA H . 27250 1 282 . 1 1 77 77 ALA CA C 13 49.829 0.3 . 1 . . . . . 77 ALA CA . 27250 1 283 . 1 1 77 77 ALA CB C 13 16.547 0.3 . 1 . . . . . 77 ALA CB . 27250 1 284 . 1 1 77 77 ALA N N 15 124.685 0.3 . 1 . . . . . 77 ALA N . 27250 1 285 . 1 1 78 78 ASP H H 1 8.184 0.020 . 1 . . . . . 78 ASP H . 27250 1 286 . 1 1 78 78 ASP CA C 13 51.554 0.3 . 1 . . . . . 78 ASP CA . 27250 1 287 . 1 1 78 78 ASP CB C 13 38.184 0.3 . 1 . . . . . 78 ASP CB . 27250 1 288 . 1 1 78 78 ASP N N 15 119.771 0.3 . 1 . . . . . 78 ASP N . 27250 1 289 . 1 1 79 79 ALA H H 1 7.660 0.020 . 1 . . . . . 79 ALA H . 27250 1 290 . 1 1 79 79 ALA CA C 13 51.051 0.3 . 1 . . . . . 79 ALA CA . 27250 1 291 . 1 1 79 79 ALA CB C 13 17.481 0.3 . 1 . . . . . 79 ALA CB . 27250 1 292 . 1 1 79 79 ALA N N 15 129.213 0.3 . 1 . . . . . 79 ALA N . 27250 1 stop_ save_