data_25221 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25221 _Entry.Title ; Solution structure of the PHD domain of Yeast YNG2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-12 _Entry.Accession_date 2014-09-12 _Entry.Last_release_date 2014-12-22 _Entry.Original_release_date 2014-12-22 _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 Samira Taeb . . . 25221 2 Lilia Kaustov . . . 25221 3 Alexander Lemak . . . 25221 4 Sahar Farhadi . . . 25221 5 Yi Sheng . . . 25221 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25221 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN/ PHD finger' . 25221 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25221 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 340 25221 '13C chemical shifts' 213 25221 '15N chemical shifts' 49 25221 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 . . 2014-12-22 2014-09-12 original author . 25221 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MUM 'BMRB Entry Tracking System' 25221 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25221 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the PHD domain of Yeast YNG2' _Citation.Status na _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 Samira Taeb . . . 25221 1 2 Lilia Kaustov . . . 25221 1 3 Alexander Lemak . . . 25221 1 4 Sahar Farhadi . . . 25221 1 5 Yi Sheng . . . 25221 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25221 _Assembly.ID 1 _Assembly.Name 'PHD domain of Yeast YNG2' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 entity_1 1 $entity_1 A . yes native no no . . . 25221 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 25221 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 25221 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25221 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TLYCFCQRVSFGEMVACDGP NCKYEWFHYDCVNLKEPPKG TWYCPECKIE ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5938.856 _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 no DBJ GAA23808 . "K7_Yng2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 282 100.00 100.00 1.58e-32 . . . . 25221 1 2 no EMBL CAY80101 . "Yng2p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 282 100.00 100.00 2.27e-32 . . . . 25221 1 3 no GB AAB68930 . "Yhr090cp [Saccharomyces cerevisiae]" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 1 4 no GB AHY77791 . "Yng2p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 1 5 no GB AJP39190 . "Yng2p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 282 100.00 100.00 2.27e-32 . . . . 25221 1 6 no GB AJU16386 . "Yng2p [Saccharomyces cerevisiae YJM1356]" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 1 7 no GB AJU16646 . "Yng2p [Saccharomyces cerevisiae YJM1381]" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 1 8 no REF NP_011958 . "histone acetyltransferase YNG2 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 1 9 no SP P38806 . "RecName: Full=Chromatin modification-related protein YNG2; AltName: Full=ESA1-associated factor 4; AltName: Full=ING1 homolog 2" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 1 10 no TPG DAA06786 . "TPA: histone acetyltransferase YNG2 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 282 100.00 100.00 2.49e-32 . . . . 25221 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 1 222 THR . 25221 1 2 223 LEU . 25221 1 3 224 TYR . 25221 1 4 225 CYS . 25221 1 5 226 PHE . 25221 1 6 227 CYS . 25221 1 7 228 GLN . 25221 1 8 229 ARG . 25221 1 9 230 VAL . 25221 1 10 231 SER . 25221 1 11 232 PHE . 25221 1 12 233 GLY . 25221 1 13 234 GLU . 25221 1 14 235 MET . 25221 1 15 236 VAL . 25221 1 16 237 ALA . 25221 1 17 238 CYS . 25221 1 18 239 ASP . 25221 1 19 240 GLY . 25221 1 20 241 PRO . 25221 1 21 242 ASN . 25221 1 22 243 CYS . 25221 1 23 244 LYS . 25221 1 24 245 TYR . 25221 1 25 246 GLU . 25221 1 26 247 TRP . 25221 1 27 248 PHE . 25221 1 28 249 HIS . 25221 1 29 250 TYR . 25221 1 30 251 ASP . 25221 1 31 252 CYS . 25221 1 32 253 VAL . 25221 1 33 254 ASN . 25221 1 34 255 LEU . 25221 1 35 256 LYS . 25221 1 36 257 GLU . 25221 1 37 258 PRO . 25221 1 38 259 PRO . 25221 1 39 260 LYS . 25221 1 40 261 GLY . 25221 1 41 262 THR . 25221 1 42 263 TRP . 25221 1 43 264 TYR . 25221 1 44 265 CYS . 25221 1 45 266 PRO . 25221 1 46 267 GLU . 25221 1 47 268 CYS . 25221 1 48 269 LYS . 25221 1 49 270 ILE . 25221 1 50 271 GLU . 25221 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 . THR 1 1 25221 1 . LEU 2 2 25221 1 . TYR 3 3 25221 1 . CYS 4 4 25221 1 . PHE 5 5 25221 1 . CYS 6 6 25221 1 . GLN 7 7 25221 1 . ARG 8 8 25221 1 . VAL 9 9 25221 1 . SER 10 10 25221 1 . PHE 11 11 25221 1 . GLY 12 12 25221 1 . GLU 13 13 25221 1 . MET 14 14 25221 1 . VAL 15 15 25221 1 . ALA 16 16 25221 1 . CYS 17 17 25221 1 . ASP 18 18 25221 1 . GLY 19 19 25221 1 . PRO 20 20 25221 1 . ASN 21 21 25221 1 . CYS 22 22 25221 1 . LYS 23 23 25221 1 . TYR 24 24 25221 1 . GLU 25 25 25221 1 . TRP 26 26 25221 1 . PHE 27 27 25221 1 . HIS 28 28 25221 1 . TYR 29 29 25221 1 . ASP 30 30 25221 1 . CYS 31 31 25221 1 . VAL 32 32 25221 1 . ASN 33 33 25221 1 . LEU 34 34 25221 1 . LYS 35 35 25221 1 . GLU 36 36 25221 1 . PRO 37 37 25221 1 . PRO 38 38 25221 1 . LYS 39 39 25221 1 . GLY 40 40 25221 1 . THR 41 41 25221 1 . TRP 42 42 25221 1 . TYR 43 43 25221 1 . CYS 44 44 25221 1 . PRO 45 45 25221 1 . GLU 46 46 25221 1 . CYS 47 47 25221 1 . LYS 48 48 25221 1 . ILE 49 49 25221 1 . GLU 50 50 25221 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25221 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 25221 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 25221 2 ZN 'Three letter code' 25221 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 25221 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 25221 _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 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 25221 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 25221 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . 'The 6xHis tag was removed from the purified recombinant protein by thrombin digestion.' . . 25221 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 25221 _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 25221 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25221 ZN [Zn++] SMILES CACTVS 3.341 25221 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25221 ZN [Zn+2] SMILES ACDLabs 10.04 25221 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25221 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25221 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 25221 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25221 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 . 25221 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25221 _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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 25221 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 25221 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 25221 1 4 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 25221 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25221 1 6 CHAPS 'natural abundance' . . . . . . 0.05 . . mM . . . . 25221 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25221 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25221 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 25221 _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 temperature 273 . K 25221 1 pH 6.5 . pH 25221 1 pressure 1 . atm 25221 1 'ionic strength' 300 . mM 25221 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25221 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25221 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25221 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25221 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25221 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25221 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25221 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25221 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25221 3 stop_ save_ save_FMCGUI _Software.Sf_category software _Software.Sf_framecode FMCGUI _Software.Entry_ID 25221 _Software.ID 4 _Software.Name FMCGUI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak A., Gutmanas A., Chitayat S., Karra M., Far s C., Sunnerhagen M., and Arrowsmith CH' . . 25221 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25221 4 refinement 25221 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25221 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25221 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25221 5 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 25221 _Software.ID 6 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25221 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25221 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25221 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25221 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25221 7 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 25221 _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 25221 _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 . . . 25221 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 25221 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25221 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 25221 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25221 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25221 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25221 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 25221 _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 '3D 1H-15N NOESY' . . . 25221 1 2 '3D 1H-13C NOESY' . . . 25221 1 3 '3D HNCA' . . . 25221 1 4 '3D CBCA(CO)NH' . . . 25221 1 5 '3D HCCH-TOCSY' . . . 25221 1 6 '3D HBHA(CO)NH' . . . 25221 1 8 '3D HNCO' . . . 25221 1 9 '2D 1H-15N HSQC' . . . 25221 1 10 '2D 1H-13C HSQC' . . . 25221 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 THR HA H 1 3.907 0.04 . 1 . . . A 222 THR HA . 25221 1 2 . 1 1 1 1 THR HB H 1 3.744 0.04 . 1 . . . A 222 THR HB . 25221 1 3 . 1 1 1 1 THR HG21 H 1 0.781 0.04 . 1 . . . A 222 THR HG21 . 25221 1 4 . 1 1 1 1 THR HG22 H 1 0.781 0.04 . 1 . . . A 222 THR HG22 . 25221 1 5 . 1 1 1 1 THR HG23 H 1 0.781 0.04 . 1 . . . A 222 THR HG23 . 25221 1 6 . 1 1 1 1 THR CA C 13 63.110 0.40 . 1 . . . A 222 THR CA . 25221 1 7 . 1 1 1 1 THR CB C 13 69.516 0.40 . 1 . . . A 222 THR CB . 25221 1 8 . 1 1 1 1 THR CG2 C 13 21.694 0.40 . 1 . . . A 222 THR CG2 . 25221 1 9 . 1 1 2 2 LEU H H 1 7.948 0.04 . 1 . . . A 223 LEU H . 25221 1 10 . 1 1 2 2 LEU HA H 1 4.037 0.04 . 1 . . . A 223 LEU HA . 25221 1 11 . 1 1 2 2 LEU HB2 H 1 1.509 0.04 . 2 . . . A 223 LEU HB2 . 25221 1 12 . 1 1 2 2 LEU HB3 H 1 0.574 0.04 . 2 . . . A 223 LEU HB3 . 25221 1 13 . 1 1 2 2 LEU HG H 1 1.494 0.04 . 1 . . . A 223 LEU HG . 25221 1 14 . 1 1 2 2 LEU HD11 H 1 0.773 0.04 . 2 . . . A 223 LEU HD11 . 25221 1 15 . 1 1 2 2 LEU HD12 H 1 0.773 0.04 . 2 . . . A 223 LEU HD12 . 25221 1 16 . 1 1 2 2 LEU HD13 H 1 0.773 0.04 . 2 . . . A 223 LEU HD13 . 25221 1 17 . 1 1 2 2 LEU HD21 H 1 0.580 0.04 . 2 . . . A 223 LEU HD21 . 25221 1 18 . 1 1 2 2 LEU HD22 H 1 0.580 0.04 . 2 . . . A 223 LEU HD22 . 25221 1 19 . 1 1 2 2 LEU HD23 H 1 0.580 0.04 . 2 . . . A 223 LEU HD23 . 25221 1 20 . 1 1 2 2 LEU C C 13 175.379 0.40 . 1 . . . A 223 LEU C . 25221 1 21 . 1 1 2 2 LEU CA C 13 53.419 0.40 . 1 . . . A 223 LEU CA . 25221 1 22 . 1 1 2 2 LEU CB C 13 42.760 0.40 . 1 . . . A 223 LEU CB . 25221 1 23 . 1 1 2 2 LEU CG C 13 26.185 0.40 . 1 . . . A 223 LEU CG . 25221 1 24 . 1 1 2 2 LEU CD1 C 13 25.037 0.40 . 2 . . . A 223 LEU CD1 . 25221 1 25 . 1 1 2 2 LEU CD2 C 13 21.878 0.40 . 2 . . . A 223 LEU CD2 . 25221 1 26 . 1 1 2 2 LEU N N 15 123.588 0.40 . 1 . . . A 223 LEU N . 25221 1 27 . 1 1 3 3 TYR H H 1 8.325 0.04 . 1 . . . A 224 TYR H . 25221 1 28 . 1 1 3 3 TYR HA H 1 4.859 0.04 . 1 . . . A 224 TYR HA . 25221 1 29 . 1 1 3 3 TYR HB2 H 1 3.056 0.04 . 2 . . . A 224 TYR HB2 . 25221 1 30 . 1 1 3 3 TYR HB3 H 1 1.973 0.04 . 2 . . . A 224 TYR HB3 . 25221 1 31 . 1 1 3 3 TYR HD1 H 1 7.069 0.04 . 3 . . . A 224 TYR HD1 . 25221 1 32 . 1 1 3 3 TYR HD2 H 1 7.069 0.04 . 3 . . . A 224 TYR HD2 . 25221 1 33 . 1 1 3 3 TYR HE1 H 1 6.685 0.04 . 3 . . . A 224 TYR HE1 . 25221 1 34 . 1 1 3 3 TYR HE2 H 1 6.685 0.04 . 3 . . . A 224 TYR HE2 . 25221 1 35 . 1 1 3 3 TYR C C 13 174.240 0.40 . 1 . . . A 224 TYR C . 25221 1 36 . 1 1 3 3 TYR CA C 13 57.122 0.40 . 1 . . . A 224 TYR CA . 25221 1 37 . 1 1 3 3 TYR CB C 13 42.671 0.40 . 1 . . . A 224 TYR CB . 25221 1 38 . 1 1 3 3 TYR CD2 C 13 133.100 0.40 . 3 . . . A 224 TYR CD2 . 25221 1 39 . 1 1 3 3 TYR CE2 C 13 118.173 0.40 . 3 . . . A 224 TYR CE2 . 25221 1 40 . 1 1 3 3 TYR N N 15 120.500 0.40 . 1 . . . A 224 TYR N . 25221 1 41 . 1 1 4 4 CYS H H 1 7.140 0.04 . 1 . . . A 225 CYS H . 25221 1 42 . 1 1 4 4 CYS HA H 1 3.217 0.04 . 1 . . . A 225 CYS HA . 25221 1 43 . 1 1 4 4 CYS HB2 H 1 2.270 0.04 . 2 . . . A 225 CYS HB2 . 25221 1 44 . 1 1 4 4 CYS HB3 H 1 4.513 0.04 . 2 . . . A 225 CYS HB3 . 25221 1 45 . 1 1 4 4 CYS C C 13 174.113 0.40 . 1 . . . A 225 CYS C . 25221 1 46 . 1 1 4 4 CYS CA C 13 60.082 0.40 . 1 . . . A 225 CYS CA . 25221 1 47 . 1 1 4 4 CYS CB C 13 29.992 0.40 . 1 . . . A 225 CYS CB . 25221 1 48 . 1 1 4 4 CYS N N 15 115.156 0.40 . 1 . . . A 225 CYS N . 25221 1 49 . 1 1 5 5 PHE H H 1 8.041 0.04 . 1 . . . A 226 PHE H . 25221 1 50 . 1 1 5 5 PHE HA H 1 3.771 0.04 . 1 . . . A 226 PHE HA . 25221 1 51 . 1 1 5 5 PHE HB2 H 1 3.103 0.04 . 2 . . . A 226 PHE HB2 . 25221 1 52 . 1 1 5 5 PHE HB3 H 1 3.103 0.04 . 2 . . . A 226 PHE HB3 . 25221 1 53 . 1 1 5 5 PHE HD1 H 1 7.219 0.04 . 3 . . . A 226 PHE HD1 . 25221 1 54 . 1 1 5 5 PHE HD2 H 1 7.219 0.04 . 3 . . . A 226 PHE HD2 . 25221 1 55 . 1 1 5 5 PHE HE1 H 1 7.104 0.04 . 3 . . . A 226 PHE HE1 . 25221 1 56 . 1 1 5 5 PHE HE2 H 1 7.104 0.04 . 3 . . . A 226 PHE HE2 . 25221 1 57 . 1 1 5 5 PHE HZ H 1 7.380 0.04 . 1 . . . A 226 PHE HZ . 25221 1 58 . 1 1 5 5 PHE C C 13 178.315 0.40 . 1 . . . A 226 PHE C . 25221 1 59 . 1 1 5 5 PHE CA C 13 59.592 0.40 . 1 . . . A 226 PHE CA . 25221 1 60 . 1 1 5 5 PHE CB C 13 38.649 0.40 . 1 . . . A 226 PHE CB . 25221 1 61 . 1 1 5 5 PHE CD2 C 13 131.738 0.40 . 3 . . . A 226 PHE CD2 . 25221 1 62 . 1 1 5 5 PHE CE2 C 13 130.104 0.40 . 3 . . . A 226 PHE CE2 . 25221 1 63 . 1 1 5 5 PHE CZ C 13 131.793 0.40 . 1 . . . A 226 PHE CZ . 25221 1 64 . 1 1 5 5 PHE N N 15 125.237 0.40 . 1 . . . A 226 PHE N . 25221 1 65 . 1 1 6 6 CYS H H 1 7.298 0.04 . 1 . . . A 227 CYS H . 25221 1 66 . 1 1 6 6 CYS HA H 1 4.493 0.04 . 1 . . . A 227 CYS HA . 25221 1 67 . 1 1 6 6 CYS HB2 H 1 3.153 0.04 . 2 . . . A 227 CYS HB2 . 25221 1 68 . 1 1 6 6 CYS HB3 H 1 2.892 0.04 . 2 . . . A 227 CYS HB3 . 25221 1 69 . 1 1 6 6 CYS C C 13 174.749 0.40 . 1 . . . A 227 CYS C . 25221 1 70 . 1 1 6 6 CYS CA C 13 59.028 0.40 . 1 . . . A 227 CYS CA . 25221 1 71 . 1 1 6 6 CYS CB C 13 29.453 0.40 . 1 . . . A 227 CYS CB . 25221 1 72 . 1 1 6 6 CYS N N 15 117.426 0.40 . 1 . . . A 227 CYS N . 25221 1 73 . 1 1 7 7 GLN H H 1 7.641 0.04 . 1 . . . A 228 GLN H . 25221 1 74 . 1 1 7 7 GLN HA H 1 3.901 0.04 . 1 . . . A 228 GLN HA . 25221 1 75 . 1 1 7 7 GLN HB2 H 1 2.221 0.04 . 2 . . . A 228 GLN HB2 . 25221 1 76 . 1 1 7 7 GLN HB3 H 1 1.962 0.04 . 2 . . . A 228 GLN HB3 . 25221 1 77 . 1 1 7 7 GLN HG2 H 1 2.224 0.04 . 2 . . . A 228 GLN HG2 . 25221 1 78 . 1 1 7 7 GLN HG3 H 1 2.224 0.04 . 2 . . . A 228 GLN HG3 . 25221 1 79 . 1 1 7 7 GLN HE21 H 1 7.052 0.04 . 2 . . . A 228 GLN HE21 . 25221 1 80 . 1 1 7 7 GLN HE22 H 1 7.847 0.04 . 2 . . . A 228 GLN HE22 . 25221 1 81 . 1 1 7 7 GLN C C 13 173.816 0.40 . 1 . . . A 228 GLN C . 25221 1 82 . 1 1 7 7 GLN CA C 13 55.861 0.40 . 1 . . . A 228 GLN CA . 25221 1 83 . 1 1 7 7 GLN CB C 13 27.155 0.40 . 1 . . . A 228 GLN CB . 25221 1 84 . 1 1 7 7 GLN CG C 13 34.126 0.40 . 1 . . . A 228 GLN CG . 25221 1 85 . 1 1 7 7 GLN N N 15 119.767 0.40 . 1 . . . A 228 GLN N . 25221 1 86 . 1 1 7 7 GLN NE2 N 15 115.788 0.40 . 1 . . . A 228 GLN NE2 . 25221 1 87 . 1 1 8 8 ARG H H 1 7.989 0.04 . 1 . . . A 229 ARG H . 25221 1 88 . 1 1 8 8 ARG HA H 1 4.874 0.04 . 1 . . . A 229 ARG HA . 25221 1 89 . 1 1 8 8 ARG HB2 H 1 2.073 0.04 . 2 . . . A 229 ARG HB2 . 25221 1 90 . 1 1 8 8 ARG HB3 H 1 2.073 0.04 . 2 . . . A 229 ARG HB3 . 25221 1 91 . 1 1 8 8 ARG HG2 H 1 1.867 0.04 . 2 . . . A 229 ARG HG2 . 25221 1 92 . 1 1 8 8 ARG HG3 H 1 1.761 0.04 . 2 . . . A 229 ARG HG3 . 25221 1 93 . 1 1 8 8 ARG HD2 H 1 3.295 0.04 . 2 . . . A 229 ARG HD2 . 25221 1 94 . 1 1 8 8 ARG HD3 H 1 3.076 0.04 . 2 . . . A 229 ARG HD3 . 25221 1 95 . 1 1 8 8 ARG C C 13 176.249 0.40 . 1 . . . A 229 ARG C . 25221 1 96 . 1 1 8 8 ARG CA C 13 55.006 0.40 . 1 . . . A 229 ARG CA . 25221 1 97 . 1 1 8 8 ARG CB C 13 36.452 0.40 . 1 . . . A 229 ARG CB . 25221 1 98 . 1 1 8 8 ARG CG C 13 27.084 0.40 . 1 . . . A 229 ARG CG . 25221 1 99 . 1 1 8 8 ARG CD C 13 44.218 0.40 . 1 . . . A 229 ARG CD . 25221 1 100 . 1 1 8 8 ARG N N 15 118.142 0.40 . 1 . . . A 229 ARG N . 25221 1 101 . 1 1 9 9 VAL H H 1 7.898 0.04 . 1 . . . A 230 VAL H . 25221 1 102 . 1 1 9 9 VAL HA H 1 4.540 0.04 . 1 . . . A 230 VAL HA . 25221 1 103 . 1 1 9 9 VAL HB H 1 2.537 0.04 . 1 . . . A 230 VAL HB . 25221 1 104 . 1 1 9 9 VAL HG11 H 1 1.008 0.04 . 2 . . . A 230 VAL HG11 . 25221 1 105 . 1 1 9 9 VAL HG12 H 1 1.008 0.04 . 2 . . . A 230 VAL HG12 . 25221 1 106 . 1 1 9 9 VAL HG13 H 1 1.008 0.04 . 2 . . . A 230 VAL HG13 . 25221 1 107 . 1 1 9 9 VAL HG21 H 1 0.947 0.04 . 2 . . . A 230 VAL HG21 . 25221 1 108 . 1 1 9 9 VAL HG22 H 1 0.947 0.04 . 2 . . . A 230 VAL HG22 . 25221 1 109 . 1 1 9 9 VAL HG23 H 1 0.947 0.04 . 2 . . . A 230 VAL HG23 . 25221 1 110 . 1 1 9 9 VAL C C 13 176.016 0.40 . 1 . . . A 230 VAL C . 25221 1 111 . 1 1 9 9 VAL CA C 13 61.340 0.40 . 1 . . . A 230 VAL CA . 25221 1 112 . 1 1 9 9 VAL CB C 13 32.878 0.40 . 1 . . . A 230 VAL CB . 25221 1 113 . 1 1 9 9 VAL CG1 C 13 21.769 0.40 . 2 . . . A 230 VAL CG1 . 25221 1 114 . 1 1 9 9 VAL CG2 C 13 17.756 0.40 . 2 . . . A 230 VAL CG2 . 25221 1 115 . 1 1 9 9 VAL N N 15 112.689 0.40 . 1 . . . A 230 VAL N . 25221 1 116 . 1 1 10 10 SER H H 1 8.652 0.04 . 1 . . . A 231 SER H . 25221 1 117 . 1 1 10 10 SER HA H 1 4.001 0.04 . 1 . . . A 231 SER HA . 25221 1 118 . 1 1 10 10 SER HB2 H 1 3.555 0.04 . 2 . . . A 231 SER HB2 . 25221 1 119 . 1 1 10 10 SER HB3 H 1 3.555 0.04 . 2 . . . A 231 SER HB3 . 25221 1 120 . 1 1 10 10 SER C C 13 174.254 0.40 . 1 . . . A 231 SER C . 25221 1 121 . 1 1 10 10 SER CA C 13 59.148 0.40 . 1 . . . A 231 SER CA . 25221 1 122 . 1 1 10 10 SER CB C 13 63.231 0.40 . 1 . . . A 231 SER CB . 25221 1 123 . 1 1 10 10 SER N N 15 114.642 0.40 . 1 . . . A 231 SER N . 25221 1 124 . 1 1 11 11 PHE H H 1 7.301 0.04 . 1 . . . A 232 PHE H . 25221 1 125 . 1 1 11 11 PHE HA H 1 4.607 0.04 . 1 . . . A 232 PHE HA . 25221 1 126 . 1 1 11 11 PHE HB2 H 1 3.212 0.04 . 2 . . . A 232 PHE HB2 . 25221 1 127 . 1 1 11 11 PHE HB3 H 1 2.933 0.04 . 2 . . . A 232 PHE HB3 . 25221 1 128 . 1 1 11 11 PHE HD1 H 1 6.993 0.04 . 3 . . . A 232 PHE HD1 . 25221 1 129 . 1 1 11 11 PHE HD2 H 1 6.993 0.04 . 3 . . . A 232 PHE HD2 . 25221 1 130 . 1 1 11 11 PHE HE1 H 1 6.730 0.04 . 3 . . . A 232 PHE HE1 . 25221 1 131 . 1 1 11 11 PHE HE2 H 1 6.730 0.04 . 3 . . . A 232 PHE HE2 . 25221 1 132 . 1 1 11 11 PHE HZ H 1 6.846 0.04 . 1 . . . A 232 PHE HZ . 25221 1 133 . 1 1 11 11 PHE C C 13 174.431 0.40 . 1 . . . A 232 PHE C . 25221 1 134 . 1 1 11 11 PHE CA C 13 57.609 0.40 . 1 . . . A 232 PHE CA . 25221 1 135 . 1 1 11 11 PHE CB C 13 39.959 0.40 . 1 . . . A 232 PHE CB . 25221 1 136 . 1 1 11 11 PHE CD2 C 13 132.745 0.40 . 3 . . . A 232 PHE CD2 . 25221 1 137 . 1 1 11 11 PHE CE2 C 13 129.188 0.40 . 3 . . . A 232 PHE CE2 . 25221 1 138 . 1 1 11 11 PHE CZ C 13 130.431 0.40 . 1 . . . A 232 PHE CZ . 25221 1 139 . 1 1 11 11 PHE N N 15 119.930 0.40 . 1 . . . A 232 PHE N . 25221 1 140 . 1 1 12 12 GLY H H 1 8.615 0.04 . 1 . . . A 233 GLY H . 25221 1 141 . 1 1 12 12 GLY HA2 H 1 3.842 0.04 . 2 . . . A 233 GLY HA2 . 25221 1 142 . 1 1 12 12 GLY HA3 H 1 3.740 0.04 . 2 . . . A 233 GLY HA3 . 25221 1 143 . 1 1 12 12 GLY C C 13 173.193 0.40 . 1 . . . A 233 GLY C . 25221 1 144 . 1 1 12 12 GLY CA C 13 45.619 0.40 . 1 . . . A 233 GLY CA . 25221 1 145 . 1 1 12 12 GLY N N 15 108.767 0.40 . 1 . . . A 233 GLY N . 25221 1 146 . 1 1 13 13 GLU H H 1 8.209 0.04 . 1 . . . A 234 GLU H . 25221 1 147 . 1 1 13 13 GLU HA H 1 3.964 0.04 . 1 . . . A 234 GLU HA . 25221 1 148 . 1 1 13 13 GLU HB2 H 1 0.812 0.04 . 2 . . . A 234 GLU HB2 . 25221 1 149 . 1 1 13 13 GLU HB3 H 1 0.413 0.04 . 2 . . . A 234 GLU HB3 . 25221 1 150 . 1 1 13 13 GLU HG2 H 1 1.859 0.04 . 2 . . . A 234 GLU HG2 . 25221 1 151 . 1 1 13 13 GLU HG3 H 1 1.802 0.04 . 2 . . . A 234 GLU HG3 . 25221 1 152 . 1 1 13 13 GLU C C 13 176.178 0.40 . 1 . . . A 234 GLU C . 25221 1 153 . 1 1 13 13 GLU CA C 13 56.180 0.40 . 1 . . . A 234 GLU CA . 25221 1 154 . 1 1 13 13 GLU CB C 13 27.966 0.40 . 1 . . . A 234 GLU CB . 25221 1 155 . 1 1 13 13 GLU CG C 13 36.073 0.40 . 1 . . . A 234 GLU CG . 25221 1 156 . 1 1 13 13 GLU N N 15 121.866 0.40 . 1 . . . A 234 GLU N . 25221 1 157 . 1 1 14 14 MET H H 1 8.216 0.04 . 1 . . . A 235 MET H . 25221 1 158 . 1 1 14 14 MET HA H 1 5.404 0.04 . 1 . . . A 235 MET HA . 25221 1 159 . 1 1 14 14 MET HB2 H 1 1.741 0.04 . 2 . . . A 235 MET HB2 . 25221 1 160 . 1 1 14 14 MET HB3 H 1 1.568 0.04 . 2 . . . A 235 MET HB3 . 25221 1 161 . 1 1 14 14 MET HG2 H 1 2.135 0.04 . 2 . . . A 235 MET HG2 . 25221 1 162 . 1 1 14 14 MET HG3 H 1 1.960 0.04 . 2 . . . A 235 MET HG3 . 25221 1 163 . 1 1 14 14 MET C C 13 174.696 0.40 . 1 . . . A 235 MET C . 25221 1 164 . 1 1 14 14 MET CA C 13 53.308 0.40 . 1 . . . A 235 MET CA . 25221 1 165 . 1 1 14 14 MET CB C 13 35.941 0.40 . 1 . . . A 235 MET CB . 25221 1 166 . 1 1 14 14 MET CG C 13 31.553 0.40 . 1 . . . A 235 MET CG . 25221 1 167 . 1 1 14 14 MET N N 15 122.508 0.40 . 1 . . . A 235 MET N . 25221 1 168 . 1 1 15 15 VAL HA H 1 4.664 0.04 . 1 . . . A 236 VAL HA . 25221 1 169 . 1 1 15 15 VAL HB H 1 1.466 0.04 . 1 . . . A 236 VAL HB . 25221 1 170 . 1 1 15 15 VAL HG11 H 1 0.257 0.04 . 2 . . . A 236 VAL HG11 . 25221 1 171 . 1 1 15 15 VAL HG12 H 1 0.257 0.04 . 2 . . . A 236 VAL HG12 . 25221 1 172 . 1 1 15 15 VAL HG13 H 1 0.257 0.04 . 2 . . . A 236 VAL HG13 . 25221 1 173 . 1 1 15 15 VAL HG21 H 1 -0.157 0.04 . 2 . . . A 236 VAL HG21 . 25221 1 174 . 1 1 15 15 VAL HG22 H 1 -0.157 0.04 . 2 . . . A 236 VAL HG22 . 25221 1 175 . 1 1 15 15 VAL HG23 H 1 -0.157 0.04 . 2 . . . A 236 VAL HG23 . 25221 1 176 . 1 1 15 15 VAL CA C 13 58.706 0.40 . 1 . . . A 236 VAL CA . 25221 1 177 . 1 1 15 15 VAL CB C 13 35.196 0.40 . 1 . . . A 236 VAL CB . 25221 1 178 . 1 1 15 15 VAL CG1 C 13 20.950 0.40 . 2 . . . A 236 VAL CG1 . 25221 1 179 . 1 1 15 15 VAL CG2 C 13 17.995 0.40 . 2 . . . A 236 VAL CG2 . 25221 1 180 . 1 1 16 16 ALA H H 1 7.980 0.04 . 1 . . . A 237 ALA H . 25221 1 181 . 1 1 16 16 ALA HA H 1 4.482 0.04 . 1 . . . A 237 ALA HA . 25221 1 182 . 1 1 16 16 ALA HB1 H 1 0.107 0.04 . 1 . . . A 237 ALA HB1 . 25221 1 183 . 1 1 16 16 ALA HB2 H 1 0.107 0.04 . 1 . . . A 237 ALA HB2 . 25221 1 184 . 1 1 16 16 ALA HB3 H 1 0.107 0.04 . 1 . . . A 237 ALA HB3 . 25221 1 185 . 1 1 16 16 ALA C C 13 176.645 0.40 . 1 . . . A 237 ALA C . 25221 1 186 . 1 1 16 16 ALA CA C 13 49.899 0.40 . 1 . . . A 237 ALA CA . 25221 1 187 . 1 1 16 16 ALA CB C 13 17.978 0.40 . 1 . . . A 237 ALA CB . 25221 1 188 . 1 1 16 16 ALA N N 15 123.23 0.40 . 1 . . . A 237 ALA N . 25221 1 189 . 1 1 17 17 CYS H H 1 8.236 0.04 . 1 . . . A 238 CYS H . 25221 1 190 . 1 1 17 17 CYS HA H 1 4.704 0.04 . 1 . . . A 238 CYS HA . 25221 1 191 . 1 1 17 17 CYS HB2 H 1 3.383 0.04 . 2 . . . A 238 CYS HB2 . 25221 1 192 . 1 1 17 17 CYS HB3 H 1 3.163 0.04 . 2 . . . A 238 CYS HB3 . 25221 1 193 . 1 1 17 17 CYS C C 13 176.963 0.40 . 1 . . . A 238 CYS C . 25221 1 194 . 1 1 17 17 CYS CA C 13 59.436 0.40 . 1 . . . A 238 CYS CA . 25221 1 195 . 1 1 17 17 CYS CB C 13 33.071 0.40 . 1 . . . A 238 CYS CB . 25221 1 196 . 1 1 17 17 CYS N N 15 123.507 0.40 . 1 . . . A 238 CYS N . 25221 1 197 . 1 1 18 18 ASP H H 1 8.884 0.04 . 1 . . . A 239 ASP H . 25221 1 198 . 1 1 18 18 ASP HA H 1 4.683 0.04 . 1 . . . A 239 ASP HA . 25221 1 199 . 1 1 18 18 ASP HB2 H 1 2.500 0.04 . 2 . . . A 239 ASP HB2 . 25221 1 200 . 1 1 18 18 ASP HB3 H 1 1.683 0.04 . 2 . . . A 239 ASP HB3 . 25221 1 201 . 1 1 18 18 ASP C C 13 176.136 0.40 . 1 . . . A 239 ASP C . 25221 1 202 . 1 1 18 18 ASP CA C 13 56.231 0.40 . 1 . . . A 239 ASP CA . 25221 1 203 . 1 1 18 18 ASP CB C 13 41.347 0.40 . 1 . . . A 239 ASP CB . 25221 1 204 . 1 1 18 18 ASP N N 15 128.517 0.40 . 1 . . . A 239 ASP N . 25221 1 205 . 1 1 19 19 GLY H H 1 10.294 0.04 . 1 . . . A 240 GLY H . 25221 1 206 . 1 1 19 19 GLY HA2 H 1 4.215 0.04 . 2 . . . A 240 GLY HA2 . 25221 1 207 . 1 1 19 19 GLY HA3 H 1 4.143 0.04 . 2 . . . A 240 GLY HA3 . 25221 1 208 . 1 1 19 19 GLY CA C 13 43.383 0.40 . 1 . . . A 240 GLY CA . 25221 1 209 . 1 1 19 19 GLY N N 15 119.962 0.40 . 1 . . . A 240 GLY N . 25221 1 210 . 1 1 20 20 PRO HA H 1 4.346 0.04 . 1 . . . A 241 PRO HA . 25221 1 211 . 1 1 20 20 PRO HB2 H 1 2.297 0.04 . 2 . . . A 241 PRO HB2 . 25221 1 212 . 1 1 20 20 PRO HB3 H 1 1.893 0.04 . 2 . . . A 241 PRO HB3 . 25221 1 213 . 1 1 20 20 PRO HG2 H 1 2.048 0.04 . 2 . . . A 241 PRO HG2 . 25221 1 214 . 1 1 20 20 PRO HG3 H 1 1.953 0.04 . 2 . . . A 241 PRO HG3 . 25221 1 215 . 1 1 20 20 PRO HD2 H 1 3.890 0.04 . 2 . . . A 241 PRO HD2 . 25221 1 216 . 1 1 20 20 PRO HD3 H 1 3.995 0.04 . 2 . . . A 241 PRO HD3 . 25221 1 217 . 1 1 20 20 PRO C C 13 177.128 0.40 . 1 . . . A 241 PRO C . 25221 1 218 . 1 1 20 20 PRO CA C 13 64.238 0.40 . 1 . . . A 241 PRO CA . 25221 1 219 . 1 1 20 20 PRO CB C 13 32.150 0.40 . 1 . . . A 241 PRO CB . 25221 1 220 . 1 1 20 20 PRO CG C 13 27.258 0.40 . 1 . . . A 241 PRO CG . 25221 1 221 . 1 1 20 20 PRO CD C 13 51.144 0.40 . 1 . . . A 241 PRO CD . 25221 1 222 . 1 1 21 21 ASN H H 1 8.817 0.04 . 1 . . . A 242 ASN H . 25221 1 223 . 1 1 21 21 ASN HA H 1 4.895 0.04 . 1 . . . A 242 ASN HA . 25221 1 224 . 1 1 21 21 ASN HB2 H 1 2.839 0.04 . 2 . . . A 242 ASN HB2 . 25221 1 225 . 1 1 21 21 ASN HB3 H 1 2.459 0.04 . 2 . . . A 242 ASN HB3 . 25221 1 226 . 1 1 21 21 ASN HD21 H 1 6.801 0.04 . 2 . . . A 242 ASN HD21 . 25221 1 227 . 1 1 21 21 ASN HD22 H 1 7.592 0.04 . 2 . . . A 242 ASN HD22 . 25221 1 228 . 1 1 21 21 ASN C C 13 174.339 0.40 . 1 . . . A 242 ASN C . 25221 1 229 . 1 1 21 21 ASN CA C 13 51.697 0.40 . 1 . . . A 242 ASN CA . 25221 1 230 . 1 1 21 21 ASN CB C 13 39.282 0.40 . 1 . . . A 242 ASN CB . 25221 1 231 . 1 1 21 21 ASN N N 15 117.169 0.40 . 1 . . . A 242 ASN N . 25221 1 232 . 1 1 21 21 ASN ND2 N 15 113.691 0.40 . 1 . . . A 242 ASN ND2 . 25221 1 233 . 1 1 22 22 CYS H H 1 7.180 0.04 . 1 . . . A 243 CYS H . 25221 1 234 . 1 1 22 22 CYS HA H 1 3.558 0.04 . 1 . . . A 243 CYS HA . 25221 1 235 . 1 1 22 22 CYS HB2 H 1 3.062 0.04 . 2 . . . A 243 CYS HB2 . 25221 1 236 . 1 1 22 22 CYS HB3 H 1 2.598 0.04 . 2 . . . A 243 CYS HB3 . 25221 1 237 . 1 1 22 22 CYS C C 13 177.191 0.40 . 1 . . . A 243 CYS C . 25221 1 238 . 1 1 22 22 CYS CA C 13 63.177 0.40 . 1 . . . A 243 CYS CA . 25221 1 239 . 1 1 22 22 CYS CB C 13 30.857 0.40 . 1 . . . A 243 CYS CB . 25221 1 240 . 1 1 22 22 CYS N N 15 123.449 0.40 . 1 . . . A 243 CYS N . 25221 1 241 . 1 1 23 23 LYS H H 1 8.599 0.04 . 1 . . . A 244 LYS H . 25221 1 242 . 1 1 23 23 LYS HA H 1 3.892 0.04 . 1 . . . A 244 LYS HA . 25221 1 243 . 1 1 23 23 LYS HB2 H 1 1.113 0.04 . 2 . . . A 244 LYS HB2 . 25221 1 244 . 1 1 23 23 LYS HB3 H 1 1.113 0.04 . 2 . . . A 244 LYS HB3 . 25221 1 245 . 1 1 23 23 LYS HG2 H 1 1.135 0.04 . 2 . . . A 244 LYS HG2 . 25221 1 246 . 1 1 23 23 LYS HG3 H 1 0.986 0.04 . 2 . . . A 244 LYS HG3 . 25221 1 247 . 1 1 23 23 LYS HD2 H 1 1.504 0.04 . 2 . . . A 244 LYS HD2 . 25221 1 248 . 1 1 23 23 LYS HD3 H 1 1.504 0.04 . 2 . . . A 244 LYS HD3 . 25221 1 249 . 1 1 23 23 LYS HE2 H 1 2.856 0.04 . 2 . . . A 244 LYS HE2 . 25221 1 250 . 1 1 23 23 LYS HE3 H 1 2.856 0.04 . 2 . . . A 244 LYS HE3 . 25221 1 251 . 1 1 23 23 LYS C C 13 177.282 0.40 . 1 . . . A 244 LYS C . 25221 1 252 . 1 1 23 23 LYS CA C 13 58.476 0.40 . 1 . . . A 244 LYS CA . 25221 1 253 . 1 1 23 23 LYS CB C 13 32.525 0.40 . 1 . . . A 244 LYS CB . 25221 1 254 . 1 1 23 23 LYS CG C 13 24.775 0.40 . 1 . . . A 244 LYS CG . 25221 1 255 . 1 1 23 23 LYS CD C 13 29.056 0.40 . 1 . . . A 244 LYS CD . 25221 1 256 . 1 1 23 23 LYS CE C 13 41.964 0.40 . 1 . . . A 244 LYS CE . 25221 1 257 . 1 1 23 23 LYS N N 15 128.071 0.40 . 1 . . . A 244 LYS N . 25221 1 258 . 1 1 24 24 TYR H H 1 8.000 0.04 . 1 . . . A 245 TYR H . 25221 1 259 . 1 1 24 24 TYR HA H 1 4.717 0.04 . 1 . . . A 245 TYR HA . 25221 1 260 . 1 1 24 24 TYR HB2 H 1 2.504 0.04 . 2 . . . A 245 TYR HB2 . 25221 1 261 . 1 1 24 24 TYR HB3 H 1 2.439 0.04 . 2 . . . A 245 TYR HB3 . 25221 1 262 . 1 1 24 24 TYR HD1 H 1 7.156 0.04 . 3 . . . A 245 TYR HD1 . 25221 1 263 . 1 1 24 24 TYR HD2 H 1 7.156 0.04 . 3 . . . A 245 TYR HD2 . 25221 1 264 . 1 1 24 24 TYR HE1 H 1 6.976 0.04 . 3 . . . A 245 TYR HE1 . 25221 1 265 . 1 1 24 24 TYR HE2 H 1 6.976 0.04 . 3 . . . A 245 TYR HE2 . 25221 1 266 . 1 1 24 24 TYR C C 13 177.944 0.40 . 1 . . . A 245 TYR C . 25221 1 267 . 1 1 24 24 TYR CA C 13 58.352 0.40 . 1 . . . A 245 TYR CA . 25221 1 268 . 1 1 24 24 TYR CB C 13 40.137 0.40 . 1 . . . A 245 TYR CB . 25221 1 269 . 1 1 24 24 TYR CD1 C 13 133.726 0.40 . 3 . . . A 245 TYR CD1 . 25221 1 270 . 1 1 24 24 TYR CE1 C 13 118.007 0.40 . 3 . . . A 245 TYR CE1 . 25221 1 271 . 1 1 24 24 TYR N N 15 118.447 0.40 . 1 . . . A 245 TYR N . 25221 1 272 . 1 1 25 25 GLU H H 1 8.893 0.04 . 1 . . . A 246 GLU H . 25221 1 273 . 1 1 25 25 GLU HA H 1 3.808 0.04 . 1 . . . A 246 GLU HA . 25221 1 274 . 1 1 25 25 GLU HB2 H 1 2.192 0.04 . 2 . . . A 246 GLU HB2 . 25221 1 275 . 1 1 25 25 GLU HB3 H 1 2.549 0.04 . 2 . . . A 246 GLU HB3 . 25221 1 276 . 1 1 25 25 GLU HG2 H 1 2.033 0.04 . 2 . . . A 246 GLU HG2 . 25221 1 277 . 1 1 25 25 GLU HG3 H 1 1.955 0.04 . 2 . . . A 246 GLU HG3 . 25221 1 278 . 1 1 25 25 GLU C C 13 175.841 0.40 . 1 . . . A 246 GLU C . 25221 1 279 . 1 1 25 25 GLU CA C 13 63.429 0.40 . 1 . . . A 246 GLU CA . 25221 1 280 . 1 1 25 25 GLU CB C 13 30.123 0.40 . 1 . . . A 246 GLU CB . 25221 1 281 . 1 1 25 25 GLU CG C 13 37.282 0.40 . 1 . . . A 246 GLU CG . 25221 1 282 . 1 1 25 25 GLU N N 15 118.160 0.40 . 1 . . . A 246 GLU N . 25221 1 283 . 1 1 26 26 TRP H H 1 8.858 0.04 . 1 . . . A 247 TRP H . 25221 1 284 . 1 1 26 26 TRP HA H 1 5.290 0.04 . 1 . . . A 247 TRP HA . 25221 1 285 . 1 1 26 26 TRP HB2 H 1 2.499 0.04 . 2 . . . A 247 TRP HB2 . 25221 1 286 . 1 1 26 26 TRP HB3 H 1 2.243 0.04 . 2 . . . A 247 TRP HB3 . 25221 1 287 . 1 1 26 26 TRP HD1 H 1 6.858 0.04 . 1 . . . A 247 TRP HD1 . 25221 1 288 . 1 1 26 26 TRP HE1 H 1 9.946 0.04 . 1 . . . A 247 TRP HE1 . 25221 1 289 . 1 1 26 26 TRP HE3 H 1 7.072 0.04 . 1 . . . A 247 TRP HE3 . 25221 1 290 . 1 1 26 26 TRP HZ2 H 1 7.331 0.04 . 1 . . . A 247 TRP HZ2 . 25221 1 291 . 1 1 26 26 TRP HZ3 H 1 6.863 0.04 . 1 . . . A 247 TRP HZ3 . 25221 1 292 . 1 1 26 26 TRP HH2 H 1 6.840 0.04 . 1 . . . A 247 TRP HH2 . 25221 1 293 . 1 1 26 26 TRP C C 13 174.811 0.40 . 1 . . . A 247 TRP C . 25221 1 294 . 1 1 26 26 TRP CA C 13 55.906 0.40 . 1 . . . A 247 TRP CA . 25221 1 295 . 1 1 26 26 TRP CB C 13 32.992 0.40 . 1 . . . A 247 TRP CB . 25221 1 296 . 1 1 26 26 TRP CD1 C 13 126.430 0.40 . 1 . . . A 247 TRP CD1 . 25221 1 297 . 1 1 26 26 TRP CE3 C 13 124.438 0.40 . 1 . . . A 247 TRP CE3 . 25221 1 298 . 1 1 26 26 TRP CZ2 C 13 114.631 0.40 . 1 . . . A 247 TRP CZ2 . 25221 1 299 . 1 1 26 26 TRP CZ3 C 13 119.830 0.40 . 1 . . . A 247 TRP CZ3 . 25221 1 300 . 1 1 26 26 TRP CH2 C 13 122.150 0.40 . 1 . . . A 247 TRP CH2 . 25221 1 301 . 1 1 26 26 TRP N N 15 122.482 0.40 . 1 . . . A 247 TRP N . 25221 1 302 . 1 1 26 26 TRP NE1 N 15 128.779 0.40 . 1 . . . A 247 TRP NE1 . 25221 1 303 . 1 1 27 27 PHE H H 1 9.214 0.04 . 1 . . . A 248 PHE H . 25221 1 304 . 1 1 27 27 PHE HA H 1 4.657 0.04 . 1 . . . A 248 PHE HA . 25221 1 305 . 1 1 27 27 PHE HB2 H 1 3.043 0.04 . 2 . . . A 248 PHE HB2 . 25221 1 306 . 1 1 27 27 PHE HB3 H 1 2.626 0.04 . 2 . . . A 248 PHE HB3 . 25221 1 307 . 1 1 27 27 PHE HD1 H 1 7.475 0.04 . 3 . . . A 248 PHE HD1 . 25221 1 308 . 1 1 27 27 PHE HD2 H 1 7.475 0.04 . 3 . . . A 248 PHE HD2 . 25221 1 309 . 1 1 27 27 PHE HE1 H 1 7.748 0.04 . 3 . . . A 248 PHE HE1 . 25221 1 310 . 1 1 27 27 PHE HE2 H 1 7.748 0.04 . 3 . . . A 248 PHE HE2 . 25221 1 311 . 1 1 27 27 PHE C C 13 176.072 0.40 . 1 . . . A 248 PHE C . 25221 1 312 . 1 1 27 27 PHE CA C 13 56.114 0.40 . 1 . . . A 248 PHE CA . 25221 1 313 . 1 1 27 27 PHE CB C 13 42.586 0.40 . 1 . . . A 248 PHE CB . 25221 1 314 . 1 1 27 27 PHE CD2 C 13 132.555 0.40 . 3 . . . A 248 PHE CD2 . 25221 1 315 . 1 1 27 27 PHE CE2 C 13 132.167 0.40 . 3 . . . A 248 PHE CE2 . 25221 1 316 . 1 1 27 27 PHE N N 15 116.496 0.40 . 1 . . . A 248 PHE N . 25221 1 317 . 1 1 28 28 HIS H H 1 8.425 0.04 . 1 . . . A 249 HIS H . 25221 1 318 . 1 1 28 28 HIS HA H 1 4.801 0.04 . 1 . . . A 249 HIS HA . 25221 1 319 . 1 1 28 28 HIS HB2 H 1 3.522 0.04 . 2 . . . A 249 HIS HB2 . 25221 1 320 . 1 1 28 28 HIS HB3 H 1 4.010 0.04 . 2 . . . A 249 HIS HB3 . 25221 1 321 . 1 1 28 28 HIS HD2 H 1 6.533 0.04 . 1 . . . A 249 HIS HD2 . 25221 1 322 . 1 1 28 28 HIS HE1 H 1 7.341 0.04 . 1 . . . A 249 HIS HE1 . 25221 1 323 . 1 1 28 28 HIS C C 13 178.067 0.40 . 1 . . . A 249 HIS C . 25221 1 324 . 1 1 28 28 HIS CA C 13 57.861 0.40 . 1 . . . A 249 HIS CA . 25221 1 325 . 1 1 28 28 HIS CB C 13 30.169 0.40 . 1 . . . A 249 HIS CB . 25221 1 326 . 1 1 28 28 HIS CD2 C 13 118.950 0.40 . 1 . . . A 249 HIS CD2 . 25221 1 327 . 1 1 28 28 HIS CE1 C 13 137.893 0.40 . 1 . . . A 249 HIS CE1 . 25221 1 328 . 1 1 28 28 HIS N N 15 121.988 0.40 . 1 . . . A 249 HIS N . 25221 1 329 . 1 1 29 29 TYR H H 1 8.506 0.04 . 1 . . . A 250 TYR H . 25221 1 330 . 1 1 29 29 TYR HA H 1 3.881 0.04 . 1 . . . A 250 TYR HA . 25221 1 331 . 1 1 29 29 TYR HB2 H 1 3.217 0.04 . 2 . . . A 250 TYR HB2 . 25221 1 332 . 1 1 29 29 TYR HB3 H 1 2.954 0.04 . 2 . . . A 250 TYR HB3 . 25221 1 333 . 1 1 29 29 TYR HD1 H 1 6.497 0.04 . 3 . . . A 250 TYR HD1 . 25221 1 334 . 1 1 29 29 TYR HD2 H 1 6.497 0.04 . 3 . . . A 250 TYR HD2 . 25221 1 335 . 1 1 29 29 TYR HE1 H 1 6.174 0.04 . 3 . . . A 250 TYR HE1 . 25221 1 336 . 1 1 29 29 TYR HE2 H 1 6.174 0.04 . 3 . . . A 250 TYR HE2 . 25221 1 337 . 1 1 29 29 TYR C C 13 178.897 0.40 . 1 . . . A 250 TYR C . 25221 1 338 . 1 1 29 29 TYR CA C 13 61.305 0.40 . 1 . . . A 250 TYR CA . 25221 1 339 . 1 1 29 29 TYR CB C 13 36.633 0.40 . 1 . . . A 250 TYR CB . 25221 1 340 . 1 1 29 29 TYR CD1 C 13 130.594 0.40 . 3 . . . A 250 TYR CD1 . 25221 1 341 . 1 1 29 29 TYR CE1 C 13 117.531 0.40 . 3 . . . A 250 TYR CE1 . 25221 1 342 . 1 1 29 29 TYR N N 15 125.011 0.40 . 1 . . . A 250 TYR N . 25221 1 343 . 1 1 30 30 ASP H H 1 9.037 0.04 . 1 . . . A 251 ASP H . 25221 1 344 . 1 1 30 30 ASP HA H 1 4.615 0.04 . 1 . . . A 251 ASP HA . 25221 1 345 . 1 1 30 30 ASP HB2 H 1 2.751 0.04 . 2 . . . A 251 ASP HB2 . 25221 1 346 . 1 1 30 30 ASP HB3 H 1 2.751 0.04 . 2 . . . A 251 ASP HB3 . 25221 1 347 . 1 1 30 30 ASP C C 13 179.220 0.40 . 1 . . . A 251 ASP C . 25221 1 348 . 1 1 30 30 ASP CA C 13 57.333 0.40 . 1 . . . A 251 ASP CA . 25221 1 349 . 1 1 30 30 ASP CB C 13 40.576 0.40 . 1 . . . A 251 ASP CB . 25221 1 350 . 1 1 30 30 ASP N N 15 114.145 0.40 . 1 . . . A 251 ASP N . 25221 1 351 . 1 1 31 31 CYS H H 1 7.340 0.04 . 1 . . . A 252 CYS H . 25221 1 352 . 1 1 31 31 CYS HA H 1 4.220 0.04 . 1 . . . A 252 CYS HA . 25221 1 353 . 1 1 31 31 CYS HB2 H 1 3.296 0.04 . 2 . . . A 252 CYS HB2 . 25221 1 354 . 1 1 31 31 CYS HB3 H 1 3.253 0.04 . 2 . . . A 252 CYS HB3 . 25221 1 355 . 1 1 31 31 CYS C C 13 176.843 0.40 . 1 . . . A 252 CYS C . 25221 1 356 . 1 1 31 31 CYS CA C 13 62.814 0.40 . 1 . . . A 252 CYS CA . 25221 1 357 . 1 1 31 31 CYS CB C 13 29.902 0.40 . 1 . . . A 252 CYS CB . 25221 1 358 . 1 1 31 31 CYS N N 15 118.455 0.40 . 1 . . . A 252 CYS N . 25221 1 359 . 1 1 32 32 VAL H H 1 7.204 0.04 . 1 . . . A 253 VAL H . 25221 1 360 . 1 1 32 32 VAL HA H 1 4.723 0.04 . 1 . . . A 253 VAL HA . 25221 1 361 . 1 1 32 32 VAL HB H 1 2.805 0.04 . 1 . . . A 253 VAL HB . 25221 1 362 . 1 1 32 32 VAL HG11 H 1 1.095 0.04 . 2 . . . A 253 VAL HG11 . 25221 1 363 . 1 1 32 32 VAL HG12 H 1 1.095 0.04 . 2 . . . A 253 VAL HG12 . 25221 1 364 . 1 1 32 32 VAL HG13 H 1 1.095 0.04 . 2 . . . A 253 VAL HG13 . 25221 1 365 . 1 1 32 32 VAL HG21 H 1 0.733 0.04 . 2 . . . A 253 VAL HG21 . 25221 1 366 . 1 1 32 32 VAL HG22 H 1 0.733 0.04 . 2 . . . A 253 VAL HG22 . 25221 1 367 . 1 1 32 32 VAL HG23 H 1 0.733 0.04 . 2 . . . A 253 VAL HG23 . 25221 1 368 . 1 1 32 32 VAL C C 13 174.240 0.40 . 1 . . . A 253 VAL C . 25221 1 369 . 1 1 32 32 VAL CA C 13 60.181 0.40 . 1 . . . A 253 VAL CA . 25221 1 370 . 1 1 32 32 VAL CB C 13 31.314 0.40 . 1 . . . A 253 VAL CB . 25221 1 371 . 1 1 32 32 VAL CG1 C 13 22.990 0.40 . 2 . . . A 253 VAL CG1 . 25221 1 372 . 1 1 32 32 VAL CG2 C 13 18.044 0.40 . 2 . . . A 253 VAL CG2 . 25221 1 373 . 1 1 32 32 VAL N N 15 106.597 0.40 . 1 . . . A 253 VAL N . 25221 1 374 . 1 1 33 33 ASN H H 1 7.689 0.04 . 1 . . . A 254 ASN H . 25221 1 375 . 1 1 33 33 ASN HA H 1 4.378 0.04 . 1 . . . A 254 ASN HA . 25221 1 376 . 1 1 33 33 ASN HB2 H 1 3.094 0.04 . 2 . . . A 254 ASN HB2 . 25221 1 377 . 1 1 33 33 ASN HB3 H 1 2.719 0.04 . 2 . . . A 254 ASN HB3 . 25221 1 378 . 1 1 33 33 ASN HD21 H 1 6.793 0.04 . 2 . . . A 254 ASN HD21 . 25221 1 379 . 1 1 33 33 ASN HD22 H 1 7.508 0.04 . 2 . . . A 254 ASN HD22 . 25221 1 380 . 1 1 33 33 ASN C C 13 174.226 0.40 . 1 . . . A 254 ASN C . 25221 1 381 . 1 1 33 33 ASN CA C 13 54.582 0.40 . 1 . . . A 254 ASN CA . 25221 1 382 . 1 1 33 33 ASN CB C 13 37.360 0.40 . 1 . . . A 254 ASN CB . 25221 1 383 . 1 1 33 33 ASN N N 15 116.291 0.40 . 1 . . . A 254 ASN N . 25221 1 384 . 1 1 33 33 ASN ND2 N 15 112.257 0.40 . 1 . . . A 254 ASN ND2 . 25221 1 385 . 1 1 34 34 LEU H H 1 7.964 0.04 . 1 . . . A 255 LEU H . 25221 1 386 . 1 1 34 34 LEU HA H 1 4.398 0.04 . 1 . . . A 255 LEU HA . 25221 1 387 . 1 1 34 34 LEU HB2 H 1 0.762 0.04 . 2 . . . A 255 LEU HB2 . 25221 1 388 . 1 1 34 34 LEU HB3 H 1 0.547 0.04 . 2 . . . A 255 LEU HB3 . 25221 1 389 . 1 1 34 34 LEU HG H 1 1.157 0.04 . 1 . . . A 255 LEU HG . 25221 1 390 . 1 1 34 34 LEU HD11 H 1 0.427 0.04 . 2 . . . A 255 LEU HD11 . 25221 1 391 . 1 1 34 34 LEU HD12 H 1 0.427 0.04 . 2 . . . A 255 LEU HD12 . 25221 1 392 . 1 1 34 34 LEU HD13 H 1 0.427 0.04 . 2 . . . A 255 LEU HD13 . 25221 1 393 . 1 1 34 34 LEU HD21 H 1 -0.193 0.04 . 2 . . . A 255 LEU HD21 . 25221 1 394 . 1 1 34 34 LEU HD22 H 1 -0.193 0.04 . 2 . . . A 255 LEU HD22 . 25221 1 395 . 1 1 34 34 LEU HD23 H 1 -0.193 0.04 . 2 . . . A 255 LEU HD23 . 25221 1 396 . 1 1 34 34 LEU C C 13 177.013 0.40 . 1 . . . A 255 LEU C . 25221 1 397 . 1 1 34 34 LEU CA C 13 54.242 0.40 . 1 . . . A 255 LEU CA . 25221 1 398 . 1 1 34 34 LEU CB C 13 44.055 0.40 . 1 . . . A 255 LEU CB . 25221 1 399 . 1 1 34 34 LEU CG C 13 26.307 0.40 . 1 . . . A 255 LEU CG . 25221 1 400 . 1 1 34 34 LEU CD1 C 13 23.243 0.40 . 2 . . . A 255 LEU CD1 . 25221 1 401 . 1 1 34 34 LEU CD2 C 13 25.306 0.40 . 2 . . . A 255 LEU CD2 . 25221 1 402 . 1 1 34 34 LEU N N 15 118.583 0.40 . 1 . . . A 255 LEU N . 25221 1 403 . 1 1 35 35 LYS H H 1 8.724 0.04 . 1 . . . A 256 LYS H . 25221 1 404 . 1 1 35 35 LYS HA H 1 4.426 0.04 . 1 . . . A 256 LYS HA . 25221 1 405 . 1 1 35 35 LYS HB2 H 1 1.913 0.04 . 2 . . . A 256 LYS HB2 . 25221 1 406 . 1 1 35 35 LYS HB3 H 1 1.664 0.04 . 2 . . . A 256 LYS HB3 . 25221 1 407 . 1 1 35 35 LYS HG2 H 1 1.390 0.04 . 2 . . . A 256 LYS HG2 . 25221 1 408 . 1 1 35 35 LYS HG3 H 1 1.334 0.04 . 2 . . . A 256 LYS HG3 . 25221 1 409 . 1 1 35 35 LYS HD2 H 1 1.608 0.04 . 2 . . . A 256 LYS HD2 . 25221 1 410 . 1 1 35 35 LYS HD3 H 1 1.608 0.04 . 2 . . . A 256 LYS HD3 . 25221 1 411 . 1 1 35 35 LYS HE2 H 1 2.961 0.04 . 2 . . . A 256 LYS HE2 . 25221 1 412 . 1 1 35 35 LYS HE3 H 1 2.916 0.04 . 2 . . . A 256 LYS HE3 . 25221 1 413 . 1 1 35 35 LYS C C 13 175.527 0.40 . 1 . . . A 256 LYS C . 25221 1 414 . 1 1 35 35 LYS CA C 13 55.595 0.40 . 1 . . . A 256 LYS CA . 25221 1 415 . 1 1 35 35 LYS CB C 13 34.121 0.40 . 1 . . . A 256 LYS CB . 25221 1 416 . 1 1 35 35 LYS CG C 13 24.686 0.40 . 1 . . . A 256 LYS CG . 25221 1 417 . 1 1 35 35 LYS CD C 13 28.592 0.40 . 1 . . . A 256 LYS CD . 25221 1 418 . 1 1 35 35 LYS CE C 13 42.173 0.40 . 1 . . . A 256 LYS CE . 25221 1 419 . 1 1 35 35 LYS N N 15 119.435 0.40 . 1 . . . A 256 LYS N . 25221 1 420 . 1 1 36 36 GLU H H 1 7.457 0.04 . 1 . . . A 257 GLU H . 25221 1 421 . 1 1 36 36 GLU HA H 1 4.803 0.04 . 1 . . . A 257 GLU HA . 25221 1 422 . 1 1 36 36 GLU HB2 H 1 2.042 0.04 . 2 . . . A 257 GLU HB2 . 25221 1 423 . 1 1 36 36 GLU HB3 H 1 1.857 0.04 . 2 . . . A 257 GLU HB3 . 25221 1 424 . 1 1 36 36 GLU HG2 H 1 2.080 0.04 . 2 . . . A 257 GLU HG2 . 25221 1 425 . 1 1 36 36 GLU HG3 H 1 1.998 0.04 . 2 . . . A 257 GLU HG3 . 25221 1 426 . 1 1 36 36 GLU CA C 13 53.258 0.40 . 1 . . . A 257 GLU CA . 25221 1 427 . 1 1 36 36 GLU CB C 13 30.332 0.40 . 1 . . . A 257 GLU CB . 25221 1 428 . 1 1 36 36 GLU CG C 13 34.983 0.40 . 1 . . . A 257 GLU CG . 25221 1 429 . 1 1 36 36 GLU N N 15 117.177 0.40 . 1 . . . A 257 GLU N . 25221 1 430 . 1 1 37 37 PRO HA H 1 4.474 0.04 . 1 . . . A 258 PRO HA . 25221 1 431 . 1 1 37 37 PRO HB2 H 1 2.284 0.04 . 2 . . . A 258 PRO HB2 . 25221 1 432 . 1 1 37 37 PRO HB3 H 1 1.728 0.04 . 2 . . . A 258 PRO HB3 . 25221 1 433 . 1 1 37 37 PRO HG2 H 1 2.084 0.04 . 2 . . . A 258 PRO HG2 . 25221 1 434 . 1 1 37 37 PRO HG3 H 1 2.084 0.04 . 2 . . . A 258 PRO HG3 . 25221 1 435 . 1 1 37 37 PRO HD2 H 1 3.869 0.04 . 2 . . . A 258 PRO HD2 . 25221 1 436 . 1 1 37 37 PRO HD3 H 1 3.621 0.04 . 2 . . . A 258 PRO HD3 . 25221 1 437 . 1 1 37 37 PRO CA C 13 61.331 0.40 . 1 . . . A 258 PRO CA . 25221 1 438 . 1 1 37 37 PRO CB C 13 30.980 0.40 . 1 . . . A 258 PRO CB . 25221 1 439 . 1 1 37 37 PRO CG C 13 27.719 0.40 . 1 . . . A 258 PRO CG . 25221 1 440 . 1 1 37 37 PRO CD C 13 50.488 0.40 . 1 . . . A 258 PRO CD . 25221 1 441 . 1 1 38 38 PRO HA H 1 4.325 0.04 . 1 . . . A 259 PRO HA . 25221 1 442 . 1 1 38 38 PRO HB2 H 1 2.206 0.04 . 2 . . . A 259 PRO HB2 . 25221 1 443 . 1 1 38 38 PRO HB3 H 1 1.894 0.04 . 2 . . . A 259 PRO HB3 . 25221 1 444 . 1 1 38 38 PRO HG2 H 1 1.700 0.04 . 2 . . . A 259 PRO HG2 . 25221 1 445 . 1 1 38 38 PRO HG3 H 1 1.465 0.04 . 2 . . . A 259 PRO HG3 . 25221 1 446 . 1 1 38 38 PRO HD2 H 1 3.451 0.04 . 2 . . . A 259 PRO HD2 . 25221 1 447 . 1 1 38 38 PRO HD3 H 1 3.337 0.04 . 2 . . . A 259 PRO HD3 . 25221 1 448 . 1 1 38 38 PRO C C 13 176.772 0.40 . 1 . . . A 259 PRO C . 25221 1 449 . 1 1 38 38 PRO CA C 13 62.673 0.40 . 1 . . . A 259 PRO CA . 25221 1 450 . 1 1 38 38 PRO CB C 13 32.154 0.40 . 1 . . . A 259 PRO CB . 25221 1 451 . 1 1 38 38 PRO CG C 13 27.472 0.40 . 1 . . . A 259 PRO CG . 25221 1 452 . 1 1 38 38 PRO CD C 13 50.289 0.40 . 1 . . . A 259 PRO CD . 25221 1 453 . 1 1 39 39 LYS H H 1 8.582 0.04 . 1 . . . A 260 LYS H . 25221 1 454 . 1 1 39 39 LYS HA H 1 4.299 0.04 . 1 . . . A 260 LYS HA . 25221 1 455 . 1 1 39 39 LYS HB2 H 1 1.812 0.04 . 2 . . . A 260 LYS HB2 . 25221 1 456 . 1 1 39 39 LYS HB3 H 1 1.705 0.04 . 2 . . . A 260 LYS HB3 . 25221 1 457 . 1 1 39 39 LYS HG2 H 1 1.462 0.04 . 2 . . . A 260 LYS HG2 . 25221 1 458 . 1 1 39 39 LYS HG3 H 1 1.377 0.04 . 2 . . . A 260 LYS HG3 . 25221 1 459 . 1 1 39 39 LYS HD2 H 1 1.636 0.04 . 2 . . . A 260 LYS HD2 . 25221 1 460 . 1 1 39 39 LYS HD3 H 1 1.636 0.04 . 2 . . . A 260 LYS HD3 . 25221 1 461 . 1 1 39 39 LYS HE2 H 1 2.961 0.04 . 2 . . . A 260 LYS HE2 . 25221 1 462 . 1 1 39 39 LYS HE3 H 1 2.961 0.04 . 2 . . . A 260 LYS HE3 . 25221 1 463 . 1 1 39 39 LYS C C 13 176.730 0.40 . 1 . . . A 260 LYS C . 25221 1 464 . 1 1 39 39 LYS CA C 13 56.086 0.40 . 1 . . . A 260 LYS CA . 25221 1 465 . 1 1 39 39 LYS CB C 13 32.547 0.40 . 1 . . . A 260 LYS CB . 25221 1 466 . 1 1 39 39 LYS CG C 13 24.938 0.40 . 1 . . . A 260 LYS CG . 25221 1 467 . 1 1 39 39 LYS CD C 13 28.865 0.40 . 1 . . . A 260 LYS CD . 25221 1 468 . 1 1 39 39 LYS CE C 13 42.117 0.40 . 1 . . . A 260 LYS CE . 25221 1 469 . 1 1 39 39 LYS N N 15 122.454 0.40 . 1 . . . A 260 LYS N . 25221 1 470 . 1 1 40 40 GLY H H 1 8.033 0.04 . 1 . . . A 261 GLY H . 25221 1 471 . 1 1 40 40 GLY HA2 H 1 3.957 0.04 . 2 . . . A 261 GLY HA2 . 25221 1 472 . 1 1 40 40 GLY HA3 H 1 3.957 0.04 . 2 . . . A 261 GLY HA3 . 25221 1 473 . 1 1 40 40 GLY C C 13 173.420 0.40 . 1 . . . A 261 GLY C . 25221 1 474 . 1 1 40 40 GLY CA C 13 44.793 0.40 . 1 . . . A 261 GLY CA . 25221 1 475 . 1 1 40 40 GLY N N 15 110.981 0.40 . 1 . . . A 261 GLY N . 25221 1 476 . 1 1 41 41 THR H H 1 7.999 0.04 . 1 . . . A 262 THR H . 25221 1 477 . 1 1 41 41 THR HA H 1 4.167 0.04 . 1 . . . A 262 THR HA . 25221 1 478 . 1 1 41 41 THR HB H 1 3.848 0.04 . 1 . . . A 262 THR HB . 25221 1 479 . 1 1 41 41 THR HG21 H 1 1.039 0.04 . 1 . . . A 262 THR HG21 . 25221 1 480 . 1 1 41 41 THR HG22 H 1 1.039 0.04 . 1 . . . A 262 THR HG22 . 25221 1 481 . 1 1 41 41 THR HG23 H 1 1.039 0.04 . 1 . . . A 262 THR HG23 . 25221 1 482 . 1 1 41 41 THR C C 13 173.978 0.40 . 1 . . . A 262 THR C . 25221 1 483 . 1 1 41 41 THR CA C 13 62.105 0.40 . 1 . . . A 262 THR CA . 25221 1 484 . 1 1 41 41 THR CB C 13 70.480 0.40 . 1 . . . A 262 THR CB . 25221 1 485 . 1 1 41 41 THR CG2 C 13 22.157 0.40 . 1 . . . A 262 THR CG2 . 25221 1 486 . 1 1 41 41 THR N N 15 116.671 0.40 . 1 . . . A 262 THR N . 25221 1 487 . 1 1 42 42 TRP H H 1 9.193 0.04 . 1 . . . A 263 TRP H . 25221 1 488 . 1 1 42 42 TRP HA H 1 4.316 0.04 . 1 . . . A 263 TRP HA . 25221 1 489 . 1 1 42 42 TRP HB2 H 1 3.086 0.04 . 2 . . . A 263 TRP HB2 . 25221 1 490 . 1 1 42 42 TRP HB3 H 1 2.735 0.04 . 2 . . . A 263 TRP HB3 . 25221 1 491 . 1 1 42 42 TRP HD1 H 1 7.199 0.04 . 1 . . . A 263 TRP HD1 . 25221 1 492 . 1 1 42 42 TRP HE1 H 1 9.782 0.04 . 1 . . . A 263 TRP HE1 . 25221 1 493 . 1 1 42 42 TRP HE3 H 1 7.353 0.04 . 1 . . . A 263 TRP HE3 . 25221 1 494 . 1 1 42 42 TRP HZ2 H 1 6.971 0.04 . 1 . . . A 263 TRP HZ2 . 25221 1 495 . 1 1 42 42 TRP HZ3 H 1 6.317 0.04 . 1 . . . A 263 TRP HZ3 . 25221 1 496 . 1 1 42 42 TRP HH2 H 1 5.943 0.04 . 1 . . . A 263 TRP HH2 . 25221 1 497 . 1 1 42 42 TRP C C 13 172.019 0.40 . 1 . . . A 263 TRP C . 25221 1 498 . 1 1 42 42 TRP CA C 13 59.469 0.40 . 1 . . . A 263 TRP CA . 25221 1 499 . 1 1 42 42 TRP CB C 13 31.310 0.40 . 1 . . . A 263 TRP CB . 25221 1 500 . 1 1 42 42 TRP CD1 C 13 125.943 0.40 . 1 . . . A 263 TRP CD1 . 25221 1 501 . 1 1 42 42 TRP CE3 C 13 122.313 0.40 . 1 . . . A 263 TRP CE3 . 25221 1 502 . 1 1 42 42 TRP CZ2 C 13 112.836 0.40 . 1 . . . A 263 TRP CZ2 . 25221 1 503 . 1 1 42 42 TRP CZ3 C 13 120.679 0.40 . 1 . . . A 263 TRP CZ3 . 25221 1 504 . 1 1 42 42 TRP CH2 C 13 122.411 0.40 . 1 . . . A 263 TRP CH2 . 25221 1 505 . 1 1 42 42 TRP N N 15 127.611 0.40 . 1 . . . A 263 TRP N . 25221 1 506 . 1 1 42 42 TRP NE1 N 15 128.220 0.40 . 1 . . . A 263 TRP NE1 . 25221 1 507 . 1 1 43 43 TYR H H 1 6.701 0.04 . 1 . . . A 264 TYR H . 25221 1 508 . 1 1 43 43 TYR HA H 1 5.058 0.04 . 1 . . . A 264 TYR HA . 25221 1 509 . 1 1 43 43 TYR HB2 H 1 2.331 0.04 . 2 . . . A 264 TYR HB2 . 25221 1 510 . 1 1 43 43 TYR HB3 H 1 2.036 0.04 . 2 . . . A 264 TYR HB3 . 25221 1 511 . 1 1 43 43 TYR HD1 H 1 6.715 0.04 . 3 . . . A 264 TYR HD1 . 25221 1 512 . 1 1 43 43 TYR HD2 H 1 6.715 0.04 . 3 . . . A 264 TYR HD2 . 25221 1 513 . 1 1 43 43 TYR HE1 H 1 6.495 0.04 . 3 . . . A 264 TYR HE1 . 25221 1 514 . 1 1 43 43 TYR HE2 H 1 6.495 0.04 . 3 . . . A 264 TYR HE2 . 25221 1 515 . 1 1 43 43 TYR C C 13 173.605 0.40 . 1 . . . A 264 TYR C . 25221 1 516 . 1 1 43 43 TYR CA C 13 54.381 0.40 . 1 . . . A 264 TYR CA . 25221 1 517 . 1 1 43 43 TYR CB C 13 41.766 0.40 . 1 . . . A 264 TYR CB . 25221 1 518 . 1 1 43 43 TYR CD2 C 13 132.882 0.40 . 3 . . . A 264 TYR CD2 . 25221 1 519 . 1 1 43 43 TYR CE2 C 13 117.682 0.40 . 3 . . . A 264 TYR CE2 . 25221 1 520 . 1 1 43 43 TYR N N 15 123.004 0.40 . 1 . . . A 264 TYR N . 25221 1 521 . 1 1 44 44 CYS H H 1 9.180 0.04 . 1 . . . A 265 CYS H . 25221 1 522 . 1 1 44 44 CYS HA H 1 3.652 0.04 . 1 . . . A 265 CYS HA . 25221 1 523 . 1 1 44 44 CYS HB2 H 1 2.350 0.04 . 2 . . . A 265 CYS HB2 . 25221 1 524 . 1 1 44 44 CYS HB3 H 1 1.845 0.04 . 2 . . . A 265 CYS HB3 . 25221 1 525 . 1 1 44 44 CYS CA C 13 57.264 0.40 . 1 . . . A 265 CYS CA . 25221 1 526 . 1 1 44 44 CYS CB C 13 29.034 0.40 . 1 . . . A 265 CYS CB . 25221 1 527 . 1 1 44 44 CYS N N 15 126.052 0.40 . 1 . . . A 265 CYS N . 25221 1 528 . 1 1 45 45 PRO HA H 1 4.031 0.04 . 1 . . . A 266 PRO HA . 25221 1 529 . 1 1 45 45 PRO HB2 H 1 2.371 0.04 . 2 . . . A 266 PRO HB2 . 25221 1 530 . 1 1 45 45 PRO HB3 H 1 1.868 0.04 . 2 . . . A 266 PRO HB3 . 25221 1 531 . 1 1 45 45 PRO HG2 H 1 2.117 0.04 . 2 . . . A 266 PRO HG2 . 25221 1 532 . 1 1 45 45 PRO HG3 H 1 2.037 0.04 . 2 . . . A 266 PRO HG3 . 25221 1 533 . 1 1 45 45 PRO HD2 H 1 3.611 0.04 . 2 . . . A 266 PRO HD2 . 25221 1 534 . 1 1 45 45 PRO HD3 H 1 3.512 0.04 . 2 . . . A 266 PRO HD3 . 25221 1 535 . 1 1 45 45 PRO C C 13 178.125 0.40 . 1 . . . A 266 PRO C . 25221 1 536 . 1 1 45 45 PRO CA C 13 65.305 0.40 . 1 . . . A 266 PRO CA . 25221 1 537 . 1 1 45 45 PRO CB C 13 32.255 0.40 . 1 . . . A 266 PRO CB . 25221 1 538 . 1 1 45 45 PRO CG C 13 27.842 0.40 . 1 . . . A 266 PRO CG . 25221 1 539 . 1 1 45 45 PRO CD C 13 49.653 0.40 . 1 . . . A 266 PRO CD . 25221 1 540 . 1 1 46 46 GLU H H 1 8.123 0.04 . 1 . . . A 267 GLU H . 25221 1 541 . 1 1 46 46 GLU HA H 1 4.230 0.04 . 1 . . . A 267 GLU HA . 25221 1 542 . 1 1 46 46 GLU HB2 H 1 2.228 0.04 . 2 . . . A 267 GLU HB2 . 25221 1 543 . 1 1 46 46 GLU HB3 H 1 2.228 0.04 . 2 . . . A 267 GLU HB3 . 25221 1 544 . 1 1 46 46 GLU HG2 H 1 2.475 0.04 . 2 . . . A 267 GLU HG2 . 25221 1 545 . 1 1 46 46 GLU HG3 H 1 2.298 0.04 . 2 . . . A 267 GLU HG3 . 25221 1 546 . 1 1 46 46 GLU C C 13 178.032 0.40 . 1 . . . A 267 GLU C . 25221 1 547 . 1 1 46 46 GLU CA C 13 58.372 0.40 . 1 . . . A 267 GLU CA . 25221 1 548 . 1 1 46 46 GLU CB C 13 31.390 0.40 . 1 . . . A 267 GLU CB . 25221 1 549 . 1 1 46 46 GLU CG C 13 37.778 0.40 . 1 . . . A 267 GLU CG . 25221 1 550 . 1 1 46 46 GLU N N 15 116.083 0.40 . 1 . . . A 267 GLU N . 25221 1 551 . 1 1 47 47 CYS H H 1 8.259 0.04 . 1 . . . A 268 CYS H . 25221 1 552 . 1 1 47 47 CYS HA H 1 3.961 0.04 . 1 . . . A 268 CYS HA . 25221 1 553 . 1 1 47 47 CYS HB2 H 1 2.929 0.04 . 2 . . . A 268 CYS HB2 . 25221 1 554 . 1 1 47 47 CYS HB3 H 1 2.596 0.04 . 2 . . . A 268 CYS HB3 . 25221 1 555 . 1 1 47 47 CYS C C 13 175.782 0.40 . 1 . . . A 268 CYS C . 25221 1 556 . 1 1 47 47 CYS CA C 13 62.290 0.40 . 1 . . . A 268 CYS CA . 25221 1 557 . 1 1 47 47 CYS CB C 13 30.916 0.40 . 1 . . . A 268 CYS CB . 25221 1 558 . 1 1 47 47 CYS N N 15 123.034 0.40 . 1 . . . A 268 CYS N . 25221 1 559 . 1 1 48 48 LYS H H 1 7.513 0.04 . 1 . . . A 269 LYS H . 25221 1 560 . 1 1 48 48 LYS HA H 1 3.546 0.04 . 1 . . . A 269 LYS HA . 25221 1 561 . 1 1 48 48 LYS HB2 H 1 1.477 0.04 . 2 . . . A 269 LYS HB2 . 25221 1 562 . 1 1 48 48 LYS HB3 H 1 1.477 0.04 . 2 . . . A 269 LYS HB3 . 25221 1 563 . 1 1 48 48 LYS HG2 H 1 1.131 0.04 . 2 . . . A 269 LYS HG2 . 25221 1 564 . 1 1 48 48 LYS HG3 H 1 1.087 0.04 . 2 . . . A 269 LYS HG3 . 25221 1 565 . 1 1 48 48 LYS HD2 H 1 1.417 0.04 . 2 . . . A 269 LYS HD2 . 25221 1 566 . 1 1 48 48 LYS HD3 H 1 1.417 0.04 . 2 . . . A 269 LYS HD3 . 25221 1 567 . 1 1 48 48 LYS HE2 H 1 2.789 0.04 . 2 . . . A 269 LYS HE2 . 25221 1 568 . 1 1 48 48 LYS HE3 H 1 2.789 0.04 . 2 . . . A 269 LYS HE3 . 25221 1 569 . 1 1 48 48 LYS C C 13 175.457 0.40 . 1 . . . A 269 LYS C . 25221 1 570 . 1 1 48 48 LYS CA C 13 57.066 0.40 . 1 . . . A 269 LYS CA . 25221 1 571 . 1 1 48 48 LYS CB C 13 32.513 0.40 . 1 . . . A 269 LYS CB . 25221 1 572 . 1 1 48 48 LYS CG C 13 24.376 0.40 . 1 . . . A 269 LYS CG . 25221 1 573 . 1 1 48 48 LYS CD C 13 29.241 0.40 . 1 . . . A 269 LYS CD . 25221 1 574 . 1 1 48 48 LYS CE C 13 41.960 0.40 . 1 . . . A 269 LYS CE . 25221 1 575 . 1 1 48 48 LYS N N 15 118.837 0.40 . 1 . . . A 269 LYS N . 25221 1 576 . 1 1 49 49 ILE H H 1 7.508 0.04 . 1 . . . A 270 ILE H . 25221 1 577 . 1 1 49 49 ILE HA H 1 3.998 0.04 . 1 . . . A 270 ILE HA . 25221 1 578 . 1 1 49 49 ILE HB H 1 1.680 0.04 . 1 . . . A 270 ILE HB . 25221 1 579 . 1 1 49 49 ILE HG12 H 1 1.247 0.04 . 2 . . . A 270 ILE HG12 . 25221 1 580 . 1 1 49 49 ILE HG13 H 1 0.933 0.04 . 2 . . . A 270 ILE HG13 . 25221 1 581 . 1 1 49 49 ILE HG21 H 1 0.731 0.04 . 1 . . . A 270 ILE HG21 . 25221 1 582 . 1 1 49 49 ILE HG22 H 1 0.731 0.04 . 1 . . . A 270 ILE HG22 . 25221 1 583 . 1 1 49 49 ILE HG23 H 1 0.731 0.04 . 1 . . . A 270 ILE HG23 . 25221 1 584 . 1 1 49 49 ILE HD11 H 1 0.691 0.04 . 1 . . . A 270 ILE HD11 . 25221 1 585 . 1 1 49 49 ILE HD12 H 1 0.691 0.04 . 1 . . . A 270 ILE HD12 . 25221 1 586 . 1 1 49 49 ILE HD13 H 1 0.691 0.04 . 1 . . . A 270 ILE HD13 . 25221 1 587 . 1 1 49 49 ILE CA C 13 61.024 0.40 . 1 . . . A 270 ILE CA . 25221 1 588 . 1 1 49 49 ILE CB C 13 38.645 0.40 . 1 . . . A 270 ILE CB . 25221 1 589 . 1 1 49 49 ILE CG1 C 13 26.791 0.40 . 1 . . . A 270 ILE CG1 . 25221 1 590 . 1 1 49 49 ILE CG2 C 13 17.456 0.40 . 1 . . . A 270 ILE CG2 . 25221 1 591 . 1 1 49 49 ILE CD1 C 13 12.939 0.40 . 1 . . . A 270 ILE CD1 . 25221 1 592 . 1 1 49 49 ILE N N 15 122.501 0.40 . 1 . . . A 270 ILE N . 25221 1 593 . 1 1 50 50 GLU H H 1 7.699 0.04 . 1 . . . A 271 GLU H . 25221 1 594 . 1 1 50 50 GLU HA H 1 3.976 0.04 . 1 . . . A 271 GLU HA . 25221 1 595 . 1 1 50 50 GLU HB2 H 1 1.893 0.04 . 2 . . . A 271 GLU HB2 . 25221 1 596 . 1 1 50 50 GLU HB3 H 1 1.770 0.04 . 2 . . . A 271 GLU HB3 . 25221 1 597 . 1 1 50 50 GLU HG2 H 1 2.083 0.04 . 2 . . . A 271 GLU HG2 . 25221 1 598 . 1 1 50 50 GLU HG3 H 1 2.083 0.04 . 2 . . . A 271 GLU HG3 . 25221 1 599 . 1 1 50 50 GLU CA C 13 57.926 0.40 . 1 . . . A 271 GLU CA . 25221 1 600 . 1 1 50 50 GLU CB C 13 31.166 0.40 . 1 . . . A 271 GLU CB . 25221 1 601 . 1 1 50 50 GLU CG C 13 36.549 0.40 . 1 . . . A 271 GLU CG . 25221 1 602 . 1 1 50 50 GLU N N 15 120.67 0.40 . 1 . . . A 271 GLU N . 25221 1 stop_ save_