data_36075 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36075 _Entry.Title ; The PHD finger of human Kiaa1045 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-24 _Entry.Accession_date 2017-06-19 _Entry.Last_release_date 2017-06-19 _Entry.Original_release_date 2017-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.99 _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 K. Miyamoto K. . . . 36075 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 36075 'PHD finger' . 36075 'Zinc Finger' . 36075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 36075 '15N chemical shifts' 55 36075 '1H chemical shifts' 371 36075 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 . . 2019-07-26 2017-04-24 update BMRB 'update entry citation' 36075 1 . . 2018-04-30 2017-04-24 original author 'original release' 36075 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5XHT 'BMRB Entry Tracking System' 36075 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36075 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29430827 _Citation.Full_citation . _Citation.Title ; Solution structure of the PHD finger from the human KIAA1045 protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 27 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0353 _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 987 _Citation.Page_last 992 _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 Kazuhide Miyamoto K. . . . 36075 1 2 Ayumi Yamashita A. . . . 36075 1 3 Kazuki Saito K. . . . 36075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36075 _Assembly.ID 1 _Assembly.Name 'Synaptotagmin-like protein 4' _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 entity_1 1 $entity_1 A A yes . . . . . . 36075 1 2 entity_ZN_1 2 $entity_ZN B A no . . . . . . 36075 1 3 entity_ZN_2 2 $entity_ZN C A no . . . . . . 36075 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 'metal coordination' single . 1 entity_1 1 CYS 3 3 SG . 2 entity_ZN_1 2 ZN 1 1 ZN . . . 3 CYS . . . . 201 ZN . 36075 1 2 'metal coordination' single . 1 entity_1 1 CYS 6 6 SG . 2 entity_ZN_1 2 ZN 1 1 ZN . . . 6 CYS . . . . 201 ZN . 36075 1 3 'metal coordination' single . 1 entity_1 1 HIS 25 25 ND1 . 2 entity_ZN_1 2 ZN 1 1 ZN . . . 25 HIS . . . . 201 ZN . 36075 1 4 'metal coordination' single . 1 entity_1 1 CYS 28 28 SG . 2 entity_ZN_1 2 ZN 1 1 ZN . . . 28 CYS . . . . 201 ZN . 36075 1 5 'metal coordination' single . 1 entity_1 1 CYS 17 17 SG . 3 entity_ZN_2 2 ZN 1 1 ZN . . . 17 CYS . . . . 202 ZN . 36075 1 6 'metal coordination' single . 1 entity_1 1 CYS 20 20 SG . 3 entity_ZN_2 2 ZN 1 1 ZN . . . 20 CYS . . . . 202 ZN . 36075 1 7 'metal coordination' single . 1 entity_1 1 CYS 55 55 SG . 3 entity_ZN_2 2 ZN 1 1 ZN . . . 55 CYS . . . . 202 ZN . 36075 1 8 'metal coordination' single . 1 entity_1 1 CYS 58 58 SG . 3 entity_ZN_2 2 ZN 1 1 ZN . . . 58 CYS . . . . 202 ZN . 36075 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 3 3 HG . 3 . . 36075 1 2 . 1 1 CYS 6 6 HG . 6 . . 36075 1 3 . 1 1 CYS 17 17 HG . 17 . . 36075 1 4 . 1 1 CYS 20 20 HG . 20 . . 36075 1 5 . 1 1 HIS 25 25 HD1 . 25 . . 36075 1 6 . 1 1 CYS 28 28 HG . 28 . . 36075 1 7 . 1 1 CYS 55 55 HG . 55 . . 36075 1 8 . 1 1 CYS 58 58 HG . 58 . . 36075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36075 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PHD finger protein 24' _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 ; EMCDVCEVWTAESLFPCRVC TRVFHDGCLRRMGYIQGDSA AEVTEMAHTETGWSCHYCDN ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'UNP residues 131-190' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6858.710 _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 1 GLU . 36075 1 2 2 MET . 36075 1 3 3 CYS . 36075 1 4 4 ASP . 36075 1 5 5 VAL . 36075 1 6 6 CYS . 36075 1 7 7 GLU . 36075 1 8 8 VAL . 36075 1 9 9 TRP . 36075 1 10 10 THR . 36075 1 11 11 ALA . 36075 1 12 12 GLU . 36075 1 13 13 SER . 36075 1 14 14 LEU . 36075 1 15 15 PHE . 36075 1 16 16 PRO . 36075 1 17 17 CYS . 36075 1 18 18 ARG . 36075 1 19 19 VAL . 36075 1 20 20 CYS . 36075 1 21 21 THR . 36075 1 22 22 ARG . 36075 1 23 23 VAL . 36075 1 24 24 PHE . 36075 1 25 25 HIS . 36075 1 26 26 ASP . 36075 1 27 27 GLY . 36075 1 28 28 CYS . 36075 1 29 29 LEU . 36075 1 30 30 ARG . 36075 1 31 31 ARG . 36075 1 32 32 MET . 36075 1 33 33 GLY . 36075 1 34 34 TYR . 36075 1 35 35 ILE . 36075 1 36 36 GLN . 36075 1 37 37 GLY . 36075 1 38 38 ASP . 36075 1 39 39 SER . 36075 1 40 40 ALA . 36075 1 41 41 ALA . 36075 1 42 42 GLU . 36075 1 43 43 VAL . 36075 1 44 44 THR . 36075 1 45 45 GLU . 36075 1 46 46 MET . 36075 1 47 47 ALA . 36075 1 48 48 HIS . 36075 1 49 49 THR . 36075 1 50 50 GLU . 36075 1 51 51 THR . 36075 1 52 52 GLY . 36075 1 53 53 TRP . 36075 1 54 54 SER . 36075 1 55 55 CYS . 36075 1 56 56 HIS . 36075 1 57 57 TYR . 36075 1 58 58 CYS . 36075 1 59 59 ASP . 36075 1 60 60 ASN . 36075 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 . GLU 1 1 36075 1 . MET 2 2 36075 1 . CYS 3 3 36075 1 . ASP 4 4 36075 1 . VAL 5 5 36075 1 . CYS 6 6 36075 1 . GLU 7 7 36075 1 . VAL 8 8 36075 1 . TRP 9 9 36075 1 . THR 10 10 36075 1 . ALA 11 11 36075 1 . GLU 12 12 36075 1 . SER 13 13 36075 1 . LEU 14 14 36075 1 . PHE 15 15 36075 1 . PRO 16 16 36075 1 . CYS 17 17 36075 1 . ARG 18 18 36075 1 . VAL 19 19 36075 1 . CYS 20 20 36075 1 . THR 21 21 36075 1 . ARG 22 22 36075 1 . VAL 23 23 36075 1 . PHE 24 24 36075 1 . HIS 25 25 36075 1 . ASP 26 26 36075 1 . GLY 27 27 36075 1 . CYS 28 28 36075 1 . LEU 29 29 36075 1 . ARG 30 30 36075 1 . ARG 31 31 36075 1 . MET 32 32 36075 1 . GLY 33 33 36075 1 . TYR 34 34 36075 1 . ILE 35 35 36075 1 . GLN 36 36 36075 1 . GLY 37 37 36075 1 . ASP 38 38 36075 1 . SER 39 39 36075 1 . ALA 40 40 36075 1 . ALA 41 41 36075 1 . GLU 42 42 36075 1 . VAL 43 43 36075 1 . THR 44 44 36075 1 . GLU 45 45 36075 1 . MET 46 46 36075 1 . ALA 47 47 36075 1 . HIS 48 48 36075 1 . THR 49 49 36075 1 . GLU 50 50 36075 1 . THR 51 51 36075 1 . GLY 52 52 36075 1 . TRP 53 53 36075 1 . SER 54 54 36075 1 . CYS 55 55 36075 1 . HIS 56 56 36075 1 . TYR 57 57 36075 1 . CYS 58 58 36075 1 . ASP 59 59 36075 1 . ASN 60 60 36075 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 36075 _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 . _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 36075 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 36075 2 ZN 'Three letter code' 36075 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 36075 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 36075 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 36075 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 36075 _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 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 36075 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 36075 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'Zn 2' _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36075 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM U-13C;15N PHD finger, 90% H2O/10% D2O' _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 'PHD finger' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36075 1 2 Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 36075 1 3 NaCl 'natural abundance' . . . . . salt 50 . . mM . . . . 36075 1 4 dithiothreitol 'natural abundance' . . . . . . 1 . . mM . . . . 36075 1 5 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 36075 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36075 1 7 D2O U-2H . . . . . solvent 10 . . % . . . . 36075 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 36075 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 70 . mM 36075 1 pH 6.9 . pH 36075 1 pressure 1 . atm 36075 1 temperature 293 . K 36075 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36075 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36075 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 36075 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36075 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36075 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 36075 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36075 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36075 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 36075 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 36075 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 36075 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 36075 _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36075 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36075 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36075 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36075 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36075 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _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 NOESY' 1 $sample_1 isotropic 36075 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 2 2 MET H H 1 7.34 0.03 . 1 . . . . A 2 MET H . 36075 1 2 . 1 1 2 2 MET HA H 1 4.33 0.03 . 1 . . . . A 2 MET HA . 36075 1 3 . 1 1 2 2 MET HB2 H 1 1.54 0.03 . 1 . . . . A 2 MET HB2 . 36075 1 4 . 1 1 2 2 MET HB3 H 1 1.54 0.03 . 1 . . . . A 2 MET HB3 . 36075 1 5 . 1 1 2 2 MET HG2 H 1 2.12 0.03 . 1 . . . . A 2 MET HG2 . 36075 1 6 . 1 1 2 2 MET HG3 H 1 2.12 0.03 . 1 . . . . A 2 MET HG3 . 36075 1 7 . 1 1 2 2 MET HE1 H 1 1.732 0.03 . 1 . . . . A 2 MET HE1 . 36075 1 8 . 1 1 2 2 MET HE2 H 1 1.732 0.03 . 1 . . . . A 2 MET HE2 . 36075 1 9 . 1 1 2 2 MET HE3 H 1 1.732 0.03 . 1 . . . . A 2 MET HE3 . 36075 1 10 . 1 1 2 2 MET C C 13 170.12 0.1 . 1 . . . . A 2 MET C . 36075 1 11 . 1 1 2 2 MET CA C 13 55.33 0.1 . 1 . . . . A 2 MET CA . 36075 1 12 . 1 1 2 2 MET CB C 13 33.52 0.1 . 1 . . . . A 2 MET CB . 36075 1 13 . 1 1 2 2 MET CG C 13 31.02 0.1 . 1 . . . . A 2 MET CG . 36075 1 14 . 1 1 2 2 MET CE C 13 15.41 0.1 . 1 . . . . A 2 MET CE . 36075 1 15 . 1 1 2 2 MET N N 15 119.12 0.2 . 1 . . . . A 2 MET N . 36075 1 16 . 1 1 3 3 CYS H H 1 8.64 0.03 . 1 . . . . A 3 CYS H . 36075 1 17 . 1 1 3 3 CYS HA H 1 3.63 0.03 . 1 . . . . A 3 CYS HA . 36075 1 18 . 1 1 3 3 CYS HB2 H 1 1.80 0.03 . 1 . . . . A 3 CYS HB2 . 36075 1 19 . 1 1 3 3 CYS HB3 H 1 1.80 0.03 . 1 . . . . A 3 CYS HB3 . 36075 1 20 . 1 1 3 3 CYS C C 13 175.21 0.1 . 1 . . . . A 3 CYS C . 36075 1 21 . 1 1 3 3 CYS CA C 13 58.32 0.1 . 1 . . . . A 3 CYS CA . 36075 1 22 . 1 1 3 3 CYS CB C 13 31.12 0.1 . 1 . . . . A 3 CYS CB . 36075 1 23 . 1 1 3 3 CYS N N 15 122.54 0.2 . 1 . . . . A 3 CYS N . 36075 1 24 . 1 1 4 4 ASP H H 1 7.98 0.03 . 1 . . . . A 4 ASP H . 36075 1 25 . 1 1 4 4 ASP HA H 1 4.23 0.03 . 1 . . . . A 4 ASP HA . 36075 1 26 . 1 1 4 4 ASP HB2 H 1 2.45 0.03 . 1 . . . . A 4 ASP HB2 . 36075 1 27 . 1 1 4 4 ASP HB3 H 1 2.45 0.03 . 1 . . . . A 4 ASP HB3 . 36075 1 28 . 1 1 4 4 ASP C C 13 175.53 0.1 . 1 . . . . A 4 ASP C . 36075 1 29 . 1 1 4 4 ASP CA C 13 55.32 0.1 . 1 . . . . A 4 ASP CA . 36075 1 30 . 1 1 4 4 ASP CB C 13 39.45 0.1 . 1 . . . . A 4 ASP CB . 36075 1 31 . 1 1 4 4 ASP N N 15 123.55 0.2 . 1 . . . . A 4 ASP N . 36075 1 32 . 1 1 5 5 VAL H H 1 9.12 0.03 . 1 . . . . A 5 VAL H . 36075 1 33 . 1 1 5 5 VAL HA H 1 4.21 0.03 . 1 . . . . A 5 VAL HA . 36075 1 34 . 1 1 5 5 VAL HB H 1 1.98 0.03 . 1 . . . . A 5 VAL HB . 36075 1 35 . 1 1 5 5 VAL HG11 H 1 1.21 0.03 . 1 . . . . A 5 VAL HG11 . 36075 1 36 . 1 1 5 5 VAL HG12 H 1 1.21 0.03 . 1 . . . . A 5 VAL HG12 . 36075 1 37 . 1 1 5 5 VAL HG13 H 1 1.21 0.03 . 1 . . . . A 5 VAL HG13 . 36075 1 38 . 1 1 5 5 VAL HG21 H 1 1.32 0.03 . 1 . . . . A 5 VAL HG21 . 36075 1 39 . 1 1 5 5 VAL HG22 H 1 1.32 0.03 . 1 . . . . A 5 VAL HG22 . 36075 1 40 . 1 1 5 5 VAL HG23 H 1 1.32 0.03 . 1 . . . . A 5 VAL HG23 . 36075 1 41 . 1 1 5 5 VAL C C 13 180.23 0.1 . 1 . . . . A 5 VAL C . 36075 1 42 . 1 1 5 5 VAL CA C 13 63.12 0.1 . 1 . . . . A 5 VAL CA . 36075 1 43 . 1 1 5 5 VAL CB C 13 30.14 0.1 . 1 . . . . A 5 VAL CB . 36075 1 44 . 1 1 5 5 VAL CG1 C 13 23.12 0.1 . 2 . . . . A 5 VAL CG1 . 36075 1 45 . 1 1 5 5 VAL CG2 C 13 22.19 0.1 . 2 . . . . A 5 VAL CG2 . 36075 1 46 . 1 1 5 5 VAL N N 15 119.01 0.2 . 1 . . . . A 5 VAL N . 36075 1 47 . 1 1 6 6 CYS H H 1 7.71 0.03 . 1 . . . . A 6 CYS H . 36075 1 48 . 1 1 6 6 CYS HA H 1 4.65 0.03 . 1 . . . . A 6 CYS HA . 36075 1 49 . 1 1 6 6 CYS HB2 H 1 2.98 0.03 . 1 . . . . A 6 CYS HB2 . 36075 1 50 . 1 1 6 6 CYS HB3 H 1 2.98 0.03 . 1 . . . . A 6 CYS HB3 . 36075 1 51 . 1 1 6 6 CYS C C 13 170.39 0.1 . 1 . . . . A 6 CYS C . 36075 1 52 . 1 1 6 6 CYS CA C 13 58.11 0.1 . 1 . . . . A 6 CYS CA . 36075 1 53 . 1 1 6 6 CYS CB C 13 30.12 0.1 . 1 . . . . A 6 CYS CB . 36075 1 54 . 1 1 6 6 CYS N N 15 117.1 0.2 . 1 . . . . A 6 CYS N . 36075 1 55 . 1 1 7 7 GLU H H 1 8.45 0.03 . 1 . . . . A 7 GLU H . 36075 1 56 . 1 1 7 7 GLU HA H 1 3.87 0.03 . 1 . . . . A 7 GLU HA . 36075 1 57 . 1 1 7 7 GLU HB2 H 1 2.22 0.03 . 1 . . . . A 7 GLU HB2 . 36075 1 58 . 1 1 7 7 GLU HB3 H 1 2.22 0.03 . 1 . . . . A 7 GLU HB3 . 36075 1 59 . 1 1 7 7 GLU HG2 H 1 1.98 0.03 . 1 . . . . A 7 GLU HG2 . 36075 1 60 . 1 1 7 7 GLU HG3 H 1 1.98 0.03 . 1 . . . . A 7 GLU HG3 . 36075 1 61 . 1 1 7 7 GLU C C 13 172.35 0.1 . 1 . . . . A 7 GLU C . 36075 1 62 . 1 1 7 7 GLU CA C 13 57.64 0.1 . 1 . . . . A 7 GLU CA . 36075 1 63 . 1 1 7 7 GLU CB C 13 30.21 0.1 . 1 . . . . A 7 GLU CB . 36075 1 64 . 1 1 7 7 GLU CG C 13 35.41 0.1 . 1 . . . . A 7 GLU CG . 36075 1 65 . 1 1 7 7 GLU N N 15 120.25 0.2 . 1 . . . . A 7 GLU N . 36075 1 66 . 1 1 8 8 VAL H H 1 8.32 0.03 . 1 . . . . A 8 VAL H . 36075 1 67 . 1 1 8 8 VAL HA H 1 4.66 0.03 . 1 . . . . A 8 VAL HA . 36075 1 68 . 1 1 8 8 VAL HB H 1 2.36 0.03 . 1 . . . . A 8 VAL HB . 36075 1 69 . 1 1 8 8 VAL HG11 H 1 0.525 0.03 . 1 . . . . A 8 VAL HG11 . 36075 1 70 . 1 1 8 8 VAL HG12 H 1 0.525 0.03 . 1 . . . . A 8 VAL HG12 . 36075 1 71 . 1 1 8 8 VAL HG13 H 1 0.525 0.03 . 1 . . . . A 8 VAL HG13 . 36075 1 72 . 1 1 8 8 VAL HG21 H 1 0.323 0.03 . 1 . . . . A 8 VAL HG21 . 36075 1 73 . 1 1 8 8 VAL HG22 H 1 0.323 0.03 . 1 . . . . A 8 VAL HG22 . 36075 1 74 . 1 1 8 8 VAL HG23 H 1 0.323 0.03 . 1 . . . . A 8 VAL HG23 . 36075 1 75 . 1 1 8 8 VAL C C 13 178.23 0.1 . 1 . . . . A 8 VAL C . 36075 1 76 . 1 1 8 8 VAL CA C 13 61.32 0.1 . 1 . . . . A 8 VAL CA . 36075 1 77 . 1 1 8 8 VAL CB C 13 33.24 0.1 . 1 . . . . A 8 VAL CB . 36075 1 78 . 1 1 8 8 VAL CG1 C 13 21.33 0.1 . 2 . . . . A 8 VAL CG1 . 36075 1 79 . 1 1 8 8 VAL CG2 C 13 23.21 0.1 . 2 . . . . A 8 VAL CG2 . 36075 1 80 . 1 1 8 8 VAL N N 15 117.21 0.2 . 1 . . . . A 8 VAL N . 36075 1 81 . 1 1 9 9 TRP H H 1 9.123 0.03 . 1 . . . . A 9 TRP H . 36075 1 82 . 1 1 9 9 TRP HA H 1 4.36 0.03 . 1 . . . . A 9 TRP HA . 36075 1 83 . 1 1 9 9 TRP HB2 H 1 3.52 0.03 . 1 . . . . A 9 TRP HB2 . 36075 1 84 . 1 1 9 9 TRP HB3 H 1 3.52 0.03 . 1 . . . . A 9 TRP HB3 . 36075 1 85 . 1 1 9 9 TRP HD1 H 1 7.524 0.03 . 1 . . . . A 9 TRP HD1 . 36075 1 86 . 1 1 9 9 TRP HE1 H 1 11.3 0.03 . 1 . . . . A 9 TRP HE1 . 36075 1 87 . 1 1 9 9 TRP HE3 H 1 7.41 0.03 . 1 . . . . A 9 TRP HE3 . 36075 1 88 . 1 1 9 9 TRP HZ2 H 1 7.44 0.03 . 1 . . . . A 9 TRP HZ2 . 36075 1 89 . 1 1 9 9 TRP HZ3 H 1 6.98 0.03 . 1 . . . . A 9 TRP HZ3 . 36075 1 90 . 1 1 9 9 TRP HH2 H 1 7.23 0.03 . 1 . . . . A 9 TRP HH2 . 36075 1 91 . 1 1 9 9 TRP C C 13 176.24 0.1 . 1 . . . . A 9 TRP C . 36075 1 92 . 1 1 9 9 TRP CA C 13 58.13 0.1 . 1 . . . . A 9 TRP CA . 36075 1 93 . 1 1 9 9 TRP CB C 13 32.47 0.1 . 1 . . . . A 9 TRP CB . 36075 1 94 . 1 1 9 9 TRP CD1 C 13 125.41 0.1 . 1 . . . . A 9 TRP CD1 . 36075 1 95 . 1 1 9 9 TRP CE3 C 13 123.41 0.1 . 1 . . . . A 9 TRP CE3 . 36075 1 96 . 1 1 9 9 TRP CZ2 C 13 114.33 0.1 . 1 . . . . A 9 TRP CZ2 . 36075 1 97 . 1 1 9 9 TRP CZ3 C 13 122.01 0.1 . 1 . . . . A 9 TRP CZ3 . 36075 1 98 . 1 1 9 9 TRP CH2 C 13 126.7 0.1 . 1 . . . . A 9 TRP CH2 . 36075 1 99 . 1 1 9 9 TRP N N 15 118.45 0.2 . 1 . . . . A 9 TRP N . 36075 1 100 . 1 1 9 9 TRP NE1 N 15 130.98 0.2 . 1 . . . . A 9 TRP NE1 . 36075 1 101 . 1 1 10 10 THR H H 1 7.87 0.03 . 1 . . . . A 10 THR H . 36075 1 102 . 1 1 10 10 THR HA H 1 4.01 0.03 . 1 . . . . A 10 THR HA . 36075 1 103 . 1 1 10 10 THR HB H 1 3.97 0.03 . 1 . . . . A 10 THR HB . 36075 1 104 . 1 1 10 10 THR HG21 H 1 1.21 0.03 . 1 . . . . A 10 THR HG21 . 36075 1 105 . 1 1 10 10 THR HG22 H 1 1.21 0.03 . 1 . . . . A 10 THR HG22 . 36075 1 106 . 1 1 10 10 THR HG23 H 1 1.21 0.03 . 1 . . . . A 10 THR HG23 . 36075 1 107 . 1 1 10 10 THR C C 13 175.47 0.1 . 1 . . . . A 10 THR C . 36075 1 108 . 1 1 10 10 THR CA C 13 60.24 0.1 . 1 . . . . A 10 THR CA . 36075 1 109 . 1 1 10 10 THR CB C 13 70.23 0.1 . 1 . . . . A 10 THR CB . 36075 1 110 . 1 1 10 10 THR CG2 C 13 19.54 0.1 . 1 . . . . A 10 THR CG2 . 36075 1 111 . 1 1 10 10 THR N N 15 115.23 0.2 . 1 . . . . A 10 THR N . 36075 1 112 . 1 1 11 11 ALA H H 1 8.25 0.03 . 1 . . . . A 11 ALA H . 36075 1 113 . 1 1 11 11 ALA HA H 1 3.88 0.03 . 1 . . . . A 11 ALA HA . 36075 1 114 . 1 1 11 11 ALA HB1 H 1 1.67 0.03 . 1 . . . . A 11 ALA HB1 . 36075 1 115 . 1 1 11 11 ALA HB2 H 1 1.67 0.03 . 1 . . . . A 11 ALA HB2 . 36075 1 116 . 1 1 11 11 ALA HB3 H 1 1.67 0.03 . 1 . . . . A 11 ALA HB3 . 36075 1 117 . 1 1 11 11 ALA C C 13 180 0.1 . 1 . . . . A 11 ALA C . 36075 1 118 . 1 1 11 11 ALA CA C 13 53.21 0.1 . 1 . . . . A 11 ALA CA . 36075 1 119 . 1 1 11 11 ALA CB C 13 17.41 0.1 . 1 . . . . A 11 ALA CB . 36075 1 120 . 1 1 11 11 ALA N N 15 121.35 0.2 . 1 . . . . A 11 ALA N . 36075 1 121 . 1 1 12 12 GLU H H 1 7.94 0.03 . 1 . . . . A 12 GLU H . 36075 1 122 . 1 1 12 12 GLU HA H 1 4.21 0.03 . 1 . . . . A 12 GLU HA . 36075 1 123 . 1 1 12 12 GLU HB2 H 1 2.03 0.03 . 1 . . . . A 12 GLU HB2 . 36075 1 124 . 1 1 12 12 GLU HB3 H 1 2.03 0.03 . 1 . . . . A 12 GLU HB3 . 36075 1 125 . 1 1 12 12 GLU HG2 H 1 2.35 0.03 . 1 . . . . A 12 GLU HG2 . 36075 1 126 . 1 1 12 12 GLU HG3 H 1 2.35 0.03 . 1 . . . . A 12 GLU HG3 . 36075 1 127 . 1 1 12 12 GLU C C 13 174.21 0.1 . 1 . . . . A 12 GLU C . 36075 1 128 . 1 1 12 12 GLU CA C 13 57.16 0.1 . 1 . . . . A 12 GLU CA . 36075 1 129 . 1 1 12 12 GLU CB C 13 29.64 0.1 . 1 . . . . A 12 GLU CB . 36075 1 130 . 1 1 12 12 GLU CG C 13 38.54 0.1 . 1 . . . . A 12 GLU CG . 36075 1 131 . 1 1 12 12 GLU N N 15 119.32 0.2 . 1 . . . . A 12 GLU N . 36075 1 132 . 1 1 13 13 SER H H 1 7.45 0.03 . 1 . . . . A 13 SER H . 36075 1 133 . 1 1 13 13 SER HA H 1 4.05 0.03 . 1 . . . . A 13 SER HA . 36075 1 134 . 1 1 13 13 SER HB2 H 1 4.25 0.03 . 1 . . . . A 13 SER HB2 . 36075 1 135 . 1 1 13 13 SER HB3 H 1 4.25 0.03 . 1 . . . . A 13 SER HB3 . 36075 1 136 . 1 1 13 13 SER C C 13 176.6 0.1 . 1 . . . . A 13 SER C . 36075 1 137 . 1 1 13 13 SER CA C 13 58.45 0.1 . 1 . . . . A 13 SER CA . 36075 1 138 . 1 1 13 13 SER CB C 13 59.67 0.1 . 1 . . . . A 13 SER CB . 36075 1 139 . 1 1 13 13 SER N N 15 117.41 0.2 . 1 . . . . A 13 SER N . 36075 1 140 . 1 1 14 14 LEU H H 1 7.34 0.03 . 1 . . . . A 14 LEU H . 36075 1 141 . 1 1 14 14 LEU HA H 1 4.11 0.03 . 1 . . . . A 14 LEU HA . 36075 1 142 . 1 1 14 14 LEU HB2 H 1 0.54 0.03 . 2 . . . . A 14 LEU HB2 . 36075 1 143 . 1 1 14 14 LEU HB3 H 1 1.12 0.03 . 2 . . . . A 14 LEU HB3 . 36075 1 144 . 1 1 14 14 LEU HG H 1 1.78 0.03 . 1 . . . . A 14 LEU HG . 36075 1 145 . 1 1 14 14 LEU HD11 H 1 0.56 0.03 . 1 . . . . A 14 LEU HD11 . 36075 1 146 . 1 1 14 14 LEU HD12 H 1 0.56 0.03 . 1 . . . . A 14 LEU HD12 . 36075 1 147 . 1 1 14 14 LEU HD13 H 1 0.56 0.03 . 1 . . . . A 14 LEU HD13 . 36075 1 148 . 1 1 14 14 LEU HD21 H 1 0.99 0.03 . 1 . . . . A 14 LEU HD21 . 36075 1 149 . 1 1 14 14 LEU HD22 H 1 0.99 0.03 . 1 . . . . A 14 LEU HD22 . 36075 1 150 . 1 1 14 14 LEU HD23 H 1 0.99 0.03 . 1 . . . . A 14 LEU HD23 . 36075 1 151 . 1 1 14 14 LEU C C 13 172.74 0.1 . 1 . . . . A 14 LEU C . 36075 1 152 . 1 1 14 14 LEU CA C 13 54.47 0.1 . 1 . . . . A 14 LEU CA . 36075 1 153 . 1 1 14 14 LEU CB C 13 39.78 0.1 . 1 . . . . A 14 LEU CB . 36075 1 154 . 1 1 14 14 LEU CG C 13 24.1 0.1 . 1 . . . . A 14 LEU CG . 36075 1 155 . 1 1 14 14 LEU CD1 C 13 21.54 0.1 . 2 . . . . A 14 LEU CD1 . 36075 1 156 . 1 1 14 14 LEU CD2 C 13 26.14 0.1 . 2 . . . . A 14 LEU CD2 . 36075 1 157 . 1 1 14 14 LEU N N 15 121.4 0.2 . 1 . . . . A 14 LEU N . 36075 1 158 . 1 1 15 15 PHE H H 1 10.11 0.03 . 1 . . . . A 15 PHE H . 36075 1 159 . 1 1 15 15 PHE HA H 1 4.95 0.03 . 1 . . . . A 15 PHE HA . 36075 1 160 . 1 1 15 15 PHE HB2 H 1 3.54 0.03 . 1 . . . . A 15 PHE HB2 . 36075 1 161 . 1 1 15 15 PHE HB3 H 1 3.54 0.03 . 1 . . . . A 15 PHE HB3 . 36075 1 162 . 1 1 15 15 PHE HD1 H 1 6.87 0.03 . 1 . . . . A 15 PHE HD1 . 36075 1 163 . 1 1 15 15 PHE HD2 H 1 6.87 0.03 . 1 . . . . A 15 PHE HD2 . 36075 1 164 . 1 1 15 15 PHE HE1 H 1 6.54 0.03 . 1 . . . . A 15 PHE HE1 . 36075 1 165 . 1 1 15 15 PHE HE2 H 1 6.54 0.03 . 1 . . . . A 15 PHE HE2 . 36075 1 166 . 1 1 15 15 PHE HZ H 1 6.14 0.03 . 1 . . . . A 15 PHE HZ . 36075 1 167 . 1 1 15 15 PHE C C 13 171.35 0.1 . 1 . . . . A 15 PHE C . 36075 1 168 . 1 1 15 15 PHE CA C 13 57.34 0.1 . 1 . . . . A 15 PHE CA . 36075 1 169 . 1 1 15 15 PHE CB C 13 39.47 0.1 . 1 . . . . A 15 PHE CB . 36075 1 170 . 1 1 15 15 PHE CD1 C 13 129.78 0.1 . 1 . . . . A 15 PHE CD1 . 36075 1 171 . 1 1 15 15 PHE CD2 C 13 129.78 0.1 . 1 . . . . A 15 PHE CD2 . 36075 1 172 . 1 1 15 15 PHE CE1 C 13 131.23 0.1 . 1 . . . . A 15 PHE CE1 . 36075 1 173 . 1 1 15 15 PHE CE2 C 13 131.23 0.1 . 1 . . . . A 15 PHE CE2 . 36075 1 174 . 1 1 15 15 PHE CZ C 13 128.47 0.1 . 1 . . . . A 15 PHE CZ . 36075 1 175 . 1 1 15 15 PHE N N 15 121.47 0.2 . 1 . . . . A 15 PHE N . 36075 1 176 . 1 1 16 16 PRO HA H 1 4.54 0.03 . 1 . . . . A 16 PRO HA . 36075 1 177 . 1 1 16 16 PRO HB2 H 1 2.58 0.03 . 2 . . . . A 16 PRO HB2 . 36075 1 178 . 1 1 16 16 PRO HB3 H 1 2.1 0.03 . 2 . . . . A 16 PRO HB3 . 36075 1 179 . 1 1 16 16 PRO HG2 H 1 1.74 0.03 . 1 . . . . A 16 PRO HG2 . 36075 1 180 . 1 1 16 16 PRO HG3 H 1 1.74 0.03 . 1 . . . . A 16 PRO HG3 . 36075 1 181 . 1 1 16 16 PRO HD2 H 1 3.68 0.03 . 2 . . . . A 16 PRO HD2 . 36075 1 182 . 1 1 16 16 PRO HD3 H 1 3.74 0.03 . 2 . . . . A 16 PRO HD3 . 36075 1 183 . 1 1 16 16 PRO C C 13 172.98 0.1 . 1 . . . . A 16 PRO C . 36075 1 184 . 1 1 16 16 PRO CA C 13 63.41 0.1 . 1 . . . . A 16 PRO CA . 36075 1 185 . 1 1 16 16 PRO CB C 13 34.68 0.1 . 1 . . . . A 16 PRO CB . 36075 1 186 . 1 1 16 16 PRO CG C 13 24.41 0.1 . 1 . . . . A 16 PRO CG . 36075 1 187 . 1 1 16 16 PRO CD C 13 51.98 0.1 . 1 . . . . A 16 PRO CD . 36075 1 188 . 1 1 17 17 CYS H H 1 8.94 0.03 . 1 . . . . A 17 CYS H . 36075 1 189 . 1 1 17 17 CYS HA H 1 4.91 0.03 . 1 . . . . A 17 CYS HA . 36075 1 190 . 1 1 17 17 CYS HB2 H 1 2.54 0.03 . 1 . . . . A 17 CYS HB2 . 36075 1 191 . 1 1 17 17 CYS HB3 H 1 2.54 0.03 . 1 . . . . A 17 CYS HB3 . 36075 1 192 . 1 1 17 17 CYS C C 13 174.95 0.1 . 1 . . . . A 17 CYS C . 36075 1 193 . 1 1 17 17 CYS CA C 13 61.25 0.1 . 1 . . . . A 17 CYS CA . 36075 1 194 . 1 1 17 17 CYS CB C 13 28.65 0.1 . 1 . . . . A 17 CYS CB . 36075 1 195 . 1 1 17 17 CYS N N 15 122.47 0.2 . 1 . . . . A 17 CYS N . 36075 1 196 . 1 1 18 18 ARG H H 1 6.87 0.03 . 1 . . . . A 18 ARG H . 36075 1 197 . 1 1 18 18 ARG HA H 1 4.36 0.03 . 1 . . . . A 18 ARG HA . 36075 1 198 . 1 1 18 18 ARG HB2 H 1 1.66 0.03 . 1 . . . . A 18 ARG HB2 . 36075 1 199 . 1 1 18 18 ARG HB3 H 1 1.66 0.03 . 1 . . . . A 18 ARG HB3 . 36075 1 200 . 1 1 18 18 ARG HG2 H 1 1.65 0.03 . 2 . . . . A 18 ARG HG2 . 36075 1 201 . 1 1 18 18 ARG HG3 H 1 1.61 0.03 . 2 . . . . A 18 ARG HG3 . 36075 1 202 . 1 1 18 18 ARG HD2 H 1 3.21 0.03 . 1 . . . . A 18 ARG HD2 . 36075 1 203 . 1 1 18 18 ARG HD3 H 1 3.21 0.03 . 1 . . . . A 18 ARG HD3 . 36075 1 204 . 1 1 18 18 ARG C C 13 170.14 0.1 . 1 . . . . A 18 ARG C . 36075 1 205 . 1 1 18 18 ARG CA C 13 56.47 0.1 . 1 . . . . A 18 ARG CA . 36075 1 206 . 1 1 18 18 ARG CB C 13 29.65 0.1 . 1 . . . . A 18 ARG CB . 36075 1 207 . 1 1 18 18 ARG CG C 13 28.47 0.1 . 1 . . . . A 18 ARG CG . 36075 1 208 . 1 1 18 18 ARG CD C 13 44.58 0.1 . 1 . . . . A 18 ARG CD . 36075 1 209 . 1 1 19 19 VAL H H 1 8.95 0.03 . 1 . . . . A 19 VAL H . 36075 1 210 . 1 1 19 19 VAL HA H 1 3.85 0.03 . 1 . . . . A 19 VAL HA . 36075 1 211 . 1 1 19 19 VAL HB H 1 2.98 0.03 . 1 . . . . A 19 VAL HB . 36075 1 212 . 1 1 19 19 VAL HG11 H 1 1.12 0.03 . 1 . . . . A 19 VAL HG11 . 36075 1 213 . 1 1 19 19 VAL HG12 H 1 1.12 0.03 . 1 . . . . A 19 VAL HG12 . 36075 1 214 . 1 1 19 19 VAL HG13 H 1 1.12 0.03 . 1 . . . . A 19 VAL HG13 . 36075 1 215 . 1 1 19 19 VAL HG21 H 1 0.54 0.03 . 1 . . . . A 19 VAL HG21 . 36075 1 216 . 1 1 19 19 VAL HG22 H 1 0.54 0.03 . 1 . . . . A 19 VAL HG22 . 36075 1 217 . 1 1 19 19 VAL HG23 H 1 0.54 0.03 . 1 . . . . A 19 VAL HG23 . 36075 1 218 . 1 1 19 19 VAL C C 13 174.69 0.1 . 1 . . . . A 19 VAL C . 36075 1 219 . 1 1 19 19 VAL CA C 13 63.25 0.1 . 1 . . . . A 19 VAL CA . 36075 1 220 . 1 1 19 19 VAL CB C 13 30.41 0.1 . 1 . . . . A 19 VAL CB . 36075 1 221 . 1 1 19 19 VAL CG1 C 13 23.14 0.1 . 2 . . . . A 19 VAL CG1 . 36075 1 222 . 1 1 19 19 VAL CG2 C 13 22.68 0.1 . 2 . . . . A 19 VAL CG2 . 36075 1 223 . 1 1 19 19 VAL N N 15 121.4 0.2 . 1 . . . . A 19 VAL N . 36075 1 224 . 1 1 20 20 CYS H H 1 7.98 0.03 . 1 . . . . A 20 CYS H . 36075 1 225 . 1 1 20 20 CYS HA H 1 4.55 0.03 . 1 . . . . A 20 CYS HA . 36075 1 226 . 1 1 20 20 CYS HB2 H 1 2.89 0.03 . 2 . . . . A 20 CYS HB2 . 36075 1 227 . 1 1 20 20 CYS HB3 H 1 2.14 0.03 . 2 . . . . A 20 CYS HB3 . 36075 1 228 . 1 1 20 20 CYS CB C 13 31.98 0.1 . 1 . . . . A 20 CYS CB . 36075 1 229 . 1 1 21 21 THR H H 1 8.14 0.03 . 1 . . . . A 21 THR H . 36075 1 230 . 1 1 21 21 THR HA H 1 4.26 0.03 . 1 . . . . A 21 THR HA . 36075 1 231 . 1 1 21 21 THR HB H 1 3.97 0.03 . 1 . . . . A 21 THR HB . 36075 1 232 . 1 1 21 21 THR HG21 H 1 1.54 0.03 . 1 . . . . A 21 THR HG21 . 36075 1 233 . 1 1 21 21 THR HG22 H 1 1.54 0.03 . 1 . . . . A 21 THR HG22 . 36075 1 234 . 1 1 21 21 THR HG23 H 1 1.54 0.03 . 1 . . . . A 21 THR HG23 . 36075 1 235 . 1 1 21 21 THR C C 13 179.8 0.1 . 1 . . . . A 21 THR C . 36075 1 236 . 1 1 21 21 THR CA C 13 62.34 0.1 . 1 . . . . A 21 THR CA . 36075 1 237 . 1 1 21 21 THR CB C 13 69.51 0.1 . 1 . . . . A 21 THR CB . 36075 1 238 . 1 1 21 21 THR CG2 C 13 19.87 0.1 . 1 . . . . A 21 THR CG2 . 36075 1 239 . 1 1 22 22 ARG H H 1 9.52 0.03 . 1 . . . . A 22 ARG H . 36075 1 240 . 1 1 22 22 ARG HA H 1 4.13 0.03 . 1 . . . . A 22 ARG HA . 36075 1 241 . 1 1 22 22 ARG HB2 H 1 1.65 0.03 . 2 . . . . A 22 ARG HB2 . 36075 1 242 . 1 1 22 22 ARG HB3 H 1 2.1 0.03 . 2 . . . . A 22 ARG HB3 . 36075 1 243 . 1 1 22 22 ARG HG2 H 1 1.47 0.03 . 1 . . . . A 22 ARG HG2 . 36075 1 244 . 1 1 22 22 ARG HG3 H 1 1.47 0.03 . 1 . . . . A 22 ARG HG3 . 36075 1 245 . 1 1 22 22 ARG HD2 H 1 2.97 0.03 . 1 . . . . A 22 ARG HD2 . 36075 1 246 . 1 1 22 22 ARG HD3 H 1 2.97 0.03 . 1 . . . . A 22 ARG HD3 . 36075 1 247 . 1 1 22 22 ARG C C 13 175.445 0.1 . 1 . . . . A 22 ARG C . 36075 1 248 . 1 1 22 22 ARG CB C 13 29.54 0.1 . 1 . . . . A 22 ARG CB . 36075 1 249 . 1 1 22 22 ARG CG C 13 32.1 0.1 . 1 . . . . A 22 ARG CG . 36075 1 250 . 1 1 22 22 ARG CD C 13 43.98 0.1 . 1 . . . . A 22 ARG CD . 36075 1 251 . 1 1 22 22 ARG N N 15 121.97 0.2 . 1 . . . . A 22 ARG N . 36075 1 252 . 1 1 23 23 VAL H H 1 8.52 0.03 . 1 . . . . A 23 VAL H . 36075 1 253 . 1 1 23 23 VAL HA H 1 4.87 0.03 . 1 . . . . A 23 VAL HA . 36075 1 254 . 1 1 23 23 VAL HB H 1 1.93 0.03 . 1 . . . . A 23 VAL HB . 36075 1 255 . 1 1 23 23 VAL HG11 H 1 0.23 0.03 . 1 . . . . A 23 VAL HG11 . 36075 1 256 . 1 1 23 23 VAL HG12 H 1 0.23 0.03 . 1 . . . . A 23 VAL HG12 . 36075 1 257 . 1 1 23 23 VAL HG13 H 1 0.23 0.03 . 1 . . . . A 23 VAL HG13 . 36075 1 258 . 1 1 23 23 VAL HG21 H 1 0.87 0.03 . 1 . . . . A 23 VAL HG21 . 36075 1 259 . 1 1 23 23 VAL HG22 H 1 0.87 0.03 . 1 . . . . A 23 VAL HG22 . 36075 1 260 . 1 1 23 23 VAL HG23 H 1 0.87 0.03 . 1 . . . . A 23 VAL HG23 . 36075 1 261 . 1 1 23 23 VAL C C 13 170.98 0.1 . 1 . . . . A 23 VAL C . 36075 1 262 . 1 1 23 23 VAL CA C 13 61.14 0.1 . 1 . . . . A 23 VAL CA . 36075 1 263 . 1 1 23 23 VAL CB C 13 33.85 0.1 . 1 . . . . A 23 VAL CB . 36075 1 264 . 1 1 23 23 VAL CG1 C 13 19.78 0.1 . 2 . . . . A 23 VAL CG1 . 36075 1 265 . 1 1 23 23 VAL CG2 C 13 17.54 0.1 . 2 . . . . A 23 VAL CG2 . 36075 1 266 . 1 1 23 23 VAL N N 15 118.4 0.2 . 1 . . . . A 23 VAL N . 36075 1 267 . 1 1 24 24 PHE H H 1 7.21 0.03 . 1 . . . . A 24 PHE H . 36075 1 268 . 1 1 24 24 PHE HA H 1 4.95 0.03 . 1 . . . . A 24 PHE HA . 36075 1 269 . 1 1 24 24 PHE HB2 H 1 2.88 0.03 . 2 . . . . A 24 PHE HB2 . 36075 1 270 . 1 1 24 24 PHE HB3 H 1 3.01 0.03 . 2 . . . . A 24 PHE HB3 . 36075 1 271 . 1 1 24 24 PHE HD1 H 1 6.9 0.03 . 1 . . . . A 24 PHE HD1 . 36075 1 272 . 1 1 24 24 PHE HD2 H 1 6.9 0.03 . 1 . . . . A 24 PHE HD2 . 36075 1 273 . 1 1 24 24 PHE HE1 H 1 7.1 0.03 . 1 . . . . A 24 PHE HE1 . 36075 1 274 . 1 1 24 24 PHE HE2 H 1 7.1 0.03 . 1 . . . . A 24 PHE HE2 . 36075 1 275 . 1 1 24 24 PHE HZ H 1 7.9 0.03 . 1 . . . . A 24 PHE HZ . 36075 1 276 . 1 1 24 24 PHE C C 13 170.97 0.1 . 1 . . . . A 24 PHE C . 36075 1 277 . 1 1 24 24 PHE CA C 13 57.14 0.1 . 1 . . . . A 24 PHE CA . 36075 1 278 . 1 1 24 24 PHE CB C 13 42.74 0.1 . 1 . . . . A 24 PHE CB . 36075 1 279 . 1 1 24 24 PHE CD1 C 13 130.52 0.1 . 1 . . . . A 24 PHE CD1 . 36075 1 280 . 1 1 24 24 PHE CD2 C 13 130.52 0.1 . 1 . . . . A 24 PHE CD2 . 36075 1 281 . 1 1 24 24 PHE CE1 C 13 132.2 0.1 . 1 . . . . A 24 PHE CE1 . 36075 1 282 . 1 1 24 24 PHE CE2 C 13 132.2 0.1 . 1 . . . . A 24 PHE CE2 . 36075 1 283 . 1 1 24 24 PHE CZ C 13 127.5 0.1 . 1 . . . . A 24 PHE CZ . 36075 1 284 . 1 1 24 24 PHE N N 15 119.5 0.2 . 1 . . . . A 24 PHE N . 36075 1 285 . 1 1 25 25 HIS H H 1 10.58 0.03 . 1 . . . . A 25 HIS H . 36075 1 286 . 1 1 25 25 HIS HA H 1 4.78 0.03 . 1 . . . . A 25 HIS HA . 36075 1 287 . 1 1 25 25 HIS HB2 H 1 3.11 0.03 . 2 . . . . A 25 HIS HB2 . 36075 1 288 . 1 1 25 25 HIS HB3 H 1 3.33 0.03 . 2 . . . . A 25 HIS HB3 . 36075 1 289 . 1 1 25 25 HIS HD2 H 1 6.87 0.03 . 1 . . . . A 25 HIS HD2 . 36075 1 290 . 1 1 25 25 HIS HE1 H 1 6.99 0.03 . 1 . . . . A 25 HIS HE1 . 36075 1 291 . 1 1 25 25 HIS C C 13 174.52 0.1 . 1 . . . . A 25 HIS C . 36075 1 292 . 1 1 25 25 HIS CA C 13 56.24 0.1 . 1 . . . . A 25 HIS CA . 36075 1 293 . 1 1 25 25 HIS CB C 13 29.86 0.1 . 1 . . . . A 25 HIS CB . 36075 1 294 . 1 1 25 25 HIS CD2 C 13 118.5 0.1 . 1 . . . . A 25 HIS CD2 . 36075 1 295 . 1 1 25 25 HIS CE1 C 13 137.23 0.1 . 1 . . . . A 25 HIS CE1 . 36075 1 296 . 1 1 25 25 HIS N N 15 120.4 0.2 . 1 . . . . A 25 HIS N . 36075 1 297 . 1 1 26 26 ASP H H 1 8.6 0.03 . 1 . . . . A 26 ASP H . 36075 1 298 . 1 1 26 26 ASP HA H 1 4.06 0.03 . 1 . . . . A 26 ASP HA . 36075 1 299 . 1 1 26 26 ASP HB2 H 1 2.34 0.03 . 2 . . . . A 26 ASP HB2 . 36075 1 300 . 1 1 26 26 ASP HB3 H 1 2.65 0.03 . 2 . . . . A 26 ASP HB3 . 36075 1 301 . 1 1 26 26 ASP C C 13 180.66 0.1 . 1 . . . . A 26 ASP C . 36075 1 302 . 1 1 26 26 ASP CA C 13 55.41 0.1 . 1 . . . . A 26 ASP CA . 36075 1 303 . 1 1 26 26 ASP CB C 13 38.47 0.1 . 1 . . . . A 26 ASP CB . 36075 1 304 . 1 1 26 26 ASP N N 15 121.4 0.2 . 1 . . . . A 26 ASP N . 36075 1 305 . 1 1 27 27 GLY H H 1 7.55 0.03 . 1 . . . . A 27 GLY H . 36075 1 306 . 1 1 27 27 GLY HA2 H 1 3.99 0.03 . 2 . . . . A 27 GLY HA2 . 36075 1 307 . 1 1 27 27 GLY HA3 H 1 4.01 0.03 . 2 . . . . A 27 GLY HA3 . 36075 1 308 . 1 1 27 27 GLY C C 13 179.52 0.1 . 1 . . . . A 27 GLY C . 36075 1 309 . 1 1 27 27 GLY CA C 13 46.24 0.1 . 1 . . . . A 27 GLY CA . 36075 1 310 . 1 1 27 27 GLY N N 15 108.23 0.2 . 1 . . . . A 27 GLY N . 36075 1 311 . 1 1 28 28 CYS H H 1 7.85 0.03 . 1 . . . . A 28 CYS H . 36075 1 312 . 1 1 28 28 CYS HA H 1 3.92 0.03 . 1 . . . . A 28 CYS HA . 36075 1 313 . 1 1 28 28 CYS HB2 H 1 2.87 0.03 . 1 . . . . A 28 CYS HB2 . 36075 1 314 . 1 1 28 28 CYS HB3 H 1 2.87 0.03 . 1 . . . . A 28 CYS HB3 . 36075 1 315 . 1 1 28 28 CYS C C 13 179.52 0.1 . 1 . . . . A 28 CYS C . 36075 1 316 . 1 1 28 28 CYS CA C 13 61.44 0.1 . 1 . . . . A 28 CYS CA . 36075 1 317 . 1 1 28 28 CYS CB C 13 28.44 0.1 . 1 . . . . A 28 CYS CB . 36075 1 318 . 1 1 28 28 CYS N N 15 122.01 0.2 . 1 . . . . A 28 CYS N . 36075 1 319 . 1 1 29 29 LEU H H 1 8.12 0.03 . 1 . . . . A 29 LEU H . 36075 1 320 . 1 1 29 29 LEU HA H 1 4.26 0.03 . 1 . . . . A 29 LEU HA . 36075 1 321 . 1 1 29 29 LEU HB2 H 1 2.12 0.03 . 1 . . . . A 29 LEU HB2 . 36075 1 322 . 1 1 29 29 LEU HB3 H 1 2.12 0.03 . 1 . . . . A 29 LEU HB3 . 36075 1 323 . 1 1 29 29 LEU HG H 1 1.74 0.03 . 1 . . . . A 29 LEU HG . 36075 1 324 . 1 1 29 29 LEU HD11 H 1 0.12 0.03 . 1 . . . . A 29 LEU HD11 . 36075 1 325 . 1 1 29 29 LEU HD12 H 1 0.12 0.03 . 1 . . . . A 29 LEU HD12 . 36075 1 326 . 1 1 29 29 LEU HD13 H 1 0.12 0.03 . 1 . . . . A 29 LEU HD13 . 36075 1 327 . 1 1 29 29 LEU HD21 H 1 0.56 0.03 . 1 . . . . A 29 LEU HD21 . 36075 1 328 . 1 1 29 29 LEU HD22 H 1 0.56 0.03 . 1 . . . . A 29 LEU HD22 . 36075 1 329 . 1 1 29 29 LEU HD23 H 1 0.56 0.03 . 1 . . . . A 29 LEU HD23 . 36075 1 330 . 1 1 29 29 LEU C C 13 180.47 0.1 . 1 . . . . A 29 LEU C . 36075 1 331 . 1 1 29 29 LEU CA C 13 56.24 0.1 . 1 . . . . A 29 LEU CA . 36075 1 332 . 1 1 29 29 LEU CB C 13 39.47 0.1 . 1 . . . . A 29 LEU CB . 36075 1 333 . 1 1 29 29 LEU CG C 13 25.84 0.1 . 1 . . . . A 29 LEU CG . 36075 1 334 . 1 1 29 29 LEU CD1 C 13 24.59 0.1 . 2 . . . . A 29 LEU CD1 . 36075 1 335 . 1 1 29 29 LEU CD2 C 13 22.14 0.1 . 2 . . . . A 29 LEU CD2 . 36075 1 336 . 1 1 29 29 LEU N N 15 120.74 0.2 . 1 . . . . A 29 LEU N . 36075 1 337 . 1 1 30 30 ARG H H 1 8.74 0.03 . 1 . . . . A 30 ARG H . 36075 1 338 . 1 1 30 30 ARG HA H 1 4.19 0.03 . 1 . . . . A 30 ARG HA . 36075 1 339 . 1 1 30 30 ARG HB2 H 1 2.24 0.03 . 1 . . . . A 30 ARG HB2 . 36075 1 340 . 1 1 30 30 ARG HB3 H 1 2.24 0.03 . 1 . . . . A 30 ARG HB3 . 36075 1 341 . 1 1 30 30 ARG HG2 H 1 1.87 0.03 . 2 . . . . A 30 ARG HG2 . 36075 1 342 . 1 1 30 30 ARG HG3 H 1 1.87 0.03 . 2 . . . . A 30 ARG HG3 . 36075 1 343 . 1 1 30 30 ARG HD2 H 1 2.98 0.03 . 1 . . . . A 30 ARG HD2 . 36075 1 344 . 1 1 30 30 ARG HD3 H 1 2.98 0.03 . 1 . . . . A 30 ARG HD3 . 36075 1 345 . 1 1 30 30 ARG C C 13 180.5 0.1 . 1 . . . . A 30 ARG C . 36075 1 346 . 1 1 30 30 ARG CA C 13 55.41 0.1 . 1 . . . . A 30 ARG CA . 36075 1 347 . 1 1 30 30 ARG CB C 13 29.69 0.1 . 1 . . . . A 30 ARG CB . 36075 1 348 . 1 1 30 30 ARG CG C 13 27.54 0.1 . 1 . . . . A 30 ARG CG . 36075 1 349 . 1 1 30 30 ARG CD C 13 44.1 0.1 . 1 . . . . A 30 ARG CD . 36075 1 350 . 1 1 30 30 ARG N N 15 119.4 0.2 . 1 . . . . A 30 ARG N . 36075 1 351 . 1 1 31 31 ARG H H 1 7.41 0.03 . 1 . . . . A 31 ARG H . 36075 1 352 . 1 1 31 31 ARG HA H 1 4 0.03 . 1 . . . . A 31 ARG HA . 36075 1 353 . 1 1 31 31 ARG HB2 H 1 1.58 0.03 . 1 . . . . A 31 ARG HB2 . 36075 1 354 . 1 1 31 31 ARG HB3 H 1 1.58 0.03 . 1 . . . . A 31 ARG HB3 . 36075 1 355 . 1 1 31 31 ARG HG2 H 1 1.77 0.03 . 1 . . . . A 31 ARG HG2 . 36075 1 356 . 1 1 31 31 ARG HG3 H 1 1.77 0.03 . 1 . . . . A 31 ARG HG3 . 36075 1 357 . 1 1 31 31 ARG HD2 H 1 3.32 0.03 . 1 . . . . A 31 ARG HD2 . 36075 1 358 . 1 1 31 31 ARG HD3 H 1 3.32 0.03 . 1 . . . . A 31 ARG HD3 . 36075 1 359 . 1 1 31 31 ARG C C 13 177.21 0.1 . 1 . . . . A 31 ARG C . 36075 1 360 . 1 1 31 31 ARG CA C 13 56.31 0.1 . 1 . . . . A 31 ARG CA . 36075 1 361 . 1 1 31 31 ARG CB C 13 29.54 0.1 . 1 . . . . A 31 ARG CB . 36075 1 362 . 1 1 31 31 ARG CG C 13 25.41 0.1 . 1 . . . . A 31 ARG CG . 36075 1 363 . 1 1 31 31 ARG CD C 13 45.1 0.1 . 1 . . . . A 31 ARG CD . 36075 1 364 . 1 1 31 31 ARG N N 15 118.01 0.2 . 1 . . . . A 31 ARG N . 36075 1 365 . 1 1 32 32 MET H H 1 8.52 0.03 . 1 . . . . A 32 MET H . 36075 1 366 . 1 1 32 32 MET HA H 1 4.52 0.03 . 1 . . . . A 32 MET HA . 36075 1 367 . 1 1 32 32 MET HB2 H 1 1.84 0.03 . 1 . . . . A 32 MET HB2 . 36075 1 368 . 1 1 32 32 MET HB3 H 1 1.84 0.03 . 1 . . . . A 32 MET HB3 . 36075 1 369 . 1 1 32 32 MET HG2 H 1 2.54 0.03 . 1 . . . . A 32 MET HG2 . 36075 1 370 . 1 1 32 32 MET HG3 H 1 2.54 0.03 . 1 . . . . A 32 MET HG3 . 36075 1 371 . 1 1 32 32 MET HE1 H 1 1.78 0.03 . 1 . . . . A 32 MET HE1 . 36075 1 372 . 1 1 32 32 MET HE2 H 1 1.78 0.03 . 1 . . . . A 32 MET HE2 . 36075 1 373 . 1 1 32 32 MET HE3 H 1 1.78 0.03 . 1 . . . . A 32 MET HE3 . 36075 1 374 . 1 1 32 32 MET C C 13 174.21 0.1 . 1 . . . . A 32 MET C . 36075 1 375 . 1 1 32 32 MET CA C 13 55.31 0.1 . 1 . . . . A 32 MET CA . 36075 1 376 . 1 1 32 32 MET CB C 13 33.25 0.1 . 1 . . . . A 32 MET CB . 36075 1 377 . 1 1 32 32 MET CG C 13 34.65 0.1 . 1 . . . . A 32 MET CG . 36075 1 378 . 1 1 32 32 MET CE C 13 18.41 0.1 . 1 . . . . A 32 MET CE . 36075 1 379 . 1 1 32 32 MET N N 15 116.02 0.2 . 1 . . . . A 32 MET N . 36075 1 380 . 1 1 33 33 GLY H H 1 7.88 0.03 . 1 . . . . A 33 GLY H . 36075 1 381 . 1 1 33 33 GLY HA2 H 1 3.9 0.03 . 2 . . . . A 33 GLY HA2 . 36075 1 382 . 1 1 33 33 GLY HA3 H 1 4.01 0.03 . 2 . . . . A 33 GLY HA3 . 36075 1 383 . 1 1 33 33 GLY C C 13 175.41 0.1 . 1 . . . . A 33 GLY C . 36075 1 384 . 1 1 33 33 GLY CA C 13 45.51 0.1 . 1 . . . . A 33 GLY CA . 36075 1 385 . 1 1 33 33 GLY N N 15 108.65 0.2 . 1 . . . . A 33 GLY N . 36075 1 386 . 1 1 34 34 TYR H H 1 8.52 0.03 . 1 . . . . A 34 TYR H . 36075 1 387 . 1 1 34 34 TYR HA H 1 4.33 0.03 . 1 . . . . A 34 TYR HA . 36075 1 388 . 1 1 34 34 TYR HB2 H 1 2.87 0.03 . 2 . . . . A 34 TYR HB2 . 36075 1 389 . 1 1 34 34 TYR HB3 H 1 3.14 0.03 . 2 . . . . A 34 TYR HB3 . 36075 1 390 . 1 1 34 34 TYR HD1 H 1 7.01 0.03 . 1 . . . . A 34 TYR HD1 . 36075 1 391 . 1 1 34 34 TYR HD2 H 1 7.01 0.03 . 1 . . . . A 34 TYR HD2 . 36075 1 392 . 1 1 34 34 TYR HE1 H 1 6.85 0.03 . 1 . . . . A 34 TYR HE1 . 36075 1 393 . 1 1 34 34 TYR HE2 H 1 6.85 0.03 . 1 . . . . A 34 TYR HE2 . 36075 1 394 . 1 1 34 34 TYR C C 13 176.41 0.1 . 1 . . . . A 34 TYR C . 36075 1 395 . 1 1 34 34 TYR CA C 13 58.23 0.1 . 1 . . . . A 34 TYR CA . 36075 1 396 . 1 1 34 34 TYR CB C 13 40.58 0.1 . 1 . . . . A 34 TYR CB . 36075 1 397 . 1 1 34 34 TYR CD1 C 13 131.2 0.1 . 1 . . . . A 34 TYR CD1 . 36075 1 398 . 1 1 34 34 TYR CD2 C 13 131.2 0.1 . 1 . . . . A 34 TYR CD2 . 36075 1 399 . 1 1 34 34 TYR CE1 C 13 115.95 0.1 . 1 . . . . A 34 TYR CE1 . 36075 1 400 . 1 1 34 34 TYR CE2 C 13 115.95 0.1 . 1 . . . . A 34 TYR CE2 . 36075 1 401 . 1 1 34 34 TYR N N 15 118.41 0.2 . 1 . . . . A 34 TYR N . 36075 1 402 . 1 1 35 35 ILE H H 1 8.01 0.03 . 1 . . . . A 35 ILE H . 36075 1 403 . 1 1 35 35 ILE HA H 1 3.08 0.03 . 1 . . . . A 35 ILE HA . 36075 1 404 . 1 1 35 35 ILE HB H 1 1.89 0.03 . 1 . . . . A 35 ILE HB . 36075 1 405 . 1 1 35 35 ILE HG12 H 1 1.23 0.03 . 1 . . . . A 35 ILE HG12 . 36075 1 406 . 1 1 35 35 ILE HG13 H 1 1.23 0.03 . 1 . . . . A 35 ILE HG13 . 36075 1 407 . 1 1 35 35 ILE HG21 H 1 0.52 0.03 . 1 . . . . A 35 ILE HG21 . 36075 1 408 . 1 1 35 35 ILE HG22 H 1 0.52 0.03 . 1 . . . . A 35 ILE HG22 . 36075 1 409 . 1 1 35 35 ILE HG23 H 1 0.52 0.03 . 1 . . . . A 35 ILE HG23 . 36075 1 410 . 1 1 35 35 ILE HD11 H 1 0.39 0.03 . 1 . . . . A 35 ILE HD11 . 36075 1 411 . 1 1 35 35 ILE HD12 H 1 0.39 0.03 . 1 . . . . A 35 ILE HD12 . 36075 1 412 . 1 1 35 35 ILE HD13 H 1 0.39 0.03 . 1 . . . . A 35 ILE HD13 . 36075 1 413 . 1 1 35 35 ILE C C 13 171.41 0.1 . 1 . . . . A 35 ILE C . 36075 1 414 . 1 1 35 35 ILE CA C 13 60.98 0.1 . 1 . . . . A 35 ILE CA . 36075 1 415 . 1 1 35 35 ILE CB C 13 41.52 0.1 . 1 . . . . A 35 ILE CB . 36075 1 416 . 1 1 35 35 ILE CG1 C 13 28.14 0.1 . 1 . . . . A 35 ILE CG1 . 36075 1 417 . 1 1 35 35 ILE CG2 C 13 15.41 0.1 . 1 . . . . A 35 ILE CG2 . 36075 1 418 . 1 1 35 35 ILE CD1 C 13 14.52 0.1 . 1 . . . . A 35 ILE CD1 . 36075 1 419 . 1 1 35 35 ILE N N 15 119.77 0.2 . 1 . . . . A 35 ILE N . 36075 1 420 . 1 1 36 36 GLN H H 1 7.98 0.03 . 1 . . . . A 36 GLN H . 36075 1 421 . 1 1 36 36 GLN HA H 1 4.36 0.03 . 1 . . . . A 36 GLN HA . 36075 1 422 . 1 1 36 36 GLN HB2 H 1 2.55 0.03 . 1 . . . . A 36 GLN HB2 . 36075 1 423 . 1 1 36 36 GLN HB3 H 1 2.55 0.03 . 1 . . . . A 36 GLN HB3 . 36075 1 424 . 1 1 36 36 GLN HG2 H 1 2.14 0.03 . 1 . . . . A 36 GLN HG2 . 36075 1 425 . 1 1 36 36 GLN HG3 H 1 2.14 0.03 . 1 . . . . A 36 GLN HG3 . 36075 1 426 . 1 1 36 36 GLN HE21 H 1 7.4 0.03 . 2 . . . . A 36 GLN HE21 . 36075 1 427 . 1 1 36 36 GLN HE22 H 1 7 0.03 . 2 . . . . A 36 GLN HE22 . 36075 1 428 . 1 1 36 36 GLN C C 13 178.365 0.1 . 1 . . . . A 36 GLN C . 36075 1 429 . 1 1 36 36 GLN CA C 13 56.41 0.1 . 1 . . . . A 36 GLN CA . 36075 1 430 . 1 1 36 36 GLN CB C 13 29.56 0.1 . 1 . . . . A 36 GLN CB . 36075 1 431 . 1 1 36 36 GLN CG C 13 35.14 0.1 . 1 . . . . A 36 GLN CG . 36075 1 432 . 1 1 36 36 GLN N N 15 121.41 0.2 . 1 . . . . A 36 GLN N . 36075 1 433 . 1 1 36 36 GLN NE2 N 15 115.14 0.2 . 1 . . . . A 36 GLN NE2 . 36075 1 434 . 1 1 37 37 GLY H H 1 9.45 0.03 . 1 . . . . A 37 GLY H . 36075 1 435 . 1 1 37 37 GLY HA2 H 1 3.93 0.03 . 1 . . . . A 37 GLY HA2 . 36075 1 436 . 1 1 37 37 GLY HA3 H 1 3.93 0.03 . 1 . . . . A 37 GLY HA3 . 36075 1 437 . 1 1 37 37 GLY C C 13 176.54 0.1 . 1 . . . . A 37 GLY C . 36075 1 438 . 1 1 37 37 GLY CA C 13 45.52 0.1 . 1 . . . . A 37 GLY CA . 36075 1 439 . 1 1 37 37 GLY N N 15 109.14 0.2 . 1 . . . . A 37 GLY N . 36075 1 440 . 1 1 38 38 ASP H H 1 8.91 0.03 . 1 . . . . A 38 ASP H . 36075 1 441 . 1 1 38 38 ASP HA H 1 4.54 0.03 . 1 . . . . A 38 ASP HA . 36075 1 442 . 1 1 38 38 ASP HB2 H 1 2.31 0.03 . 1 . . . . A 38 ASP HB2 . 36075 1 443 . 1 1 38 38 ASP HB3 H 1 2.31 0.03 . 1 . . . . A 38 ASP HB3 . 36075 1 444 . 1 1 38 38 ASP C C 13 178.95 0.1 . 1 . . . . A 38 ASP C . 36075 1 445 . 1 1 38 38 ASP CA C 13 54.74 0.1 . 1 . . . . A 38 ASP CA . 36075 1 446 . 1 1 38 38 ASP CB C 13 38.744 0.1 . 1 . . . . A 38 ASP CB . 36075 1 447 . 1 1 38 38 ASP N N 15 120.99 0.2 . 1 . . . . A 38 ASP N . 36075 1 448 . 1 1 39 39 SER H H 1 8.97 0.03 . 1 . . . . A 39 SER H . 36075 1 449 . 1 1 39 39 SER HA H 1 4.34 0.03 . 1 . . . . A 39 SER HA . 36075 1 450 . 1 1 39 39 SER HB2 H 1 4.35 0.03 . 2 . . . . A 39 SER HB2 . 36075 1 451 . 1 1 39 39 SER HB3 H 1 4.15 0.03 . 2 . . . . A 39 SER HB3 . 36075 1 452 . 1 1 39 39 SER C C 13 178.54 0.1 . 1 . . . . A 39 SER C . 36075 1 453 . 1 1 39 39 SER CA C 13 58.21 0.1 . 1 . . . . A 39 SER CA . 36075 1 454 . 1 1 39 39 SER CB C 13 65.14 0.1 . 1 . . . . A 39 SER CB . 36075 1 455 . 1 1 39 39 SER N N 15 116.7 0.2 . 1 . . . . A 39 SER N . 36075 1 456 . 1 1 40 40 ALA H H 1 7.93 0.03 . 1 . . . . A 40 ALA H . 36075 1 457 . 1 1 40 40 ALA HA H 1 4.2 0.03 . 1 . . . . A 40 ALA HA . 36075 1 458 . 1 1 40 40 ALA HB1 H 1 1.78 0.03 . 1 . . . . A 40 ALA HB1 . 36075 1 459 . 1 1 40 40 ALA HB2 H 1 1.78 0.03 . 1 . . . . A 40 ALA HB2 . 36075 1 460 . 1 1 40 40 ALA HB3 H 1 1.78 0.03 . 1 . . . . A 40 ALA HB3 . 36075 1 461 . 1 1 40 40 ALA C C 13 179.81 0.1 . 1 . . . . A 40 ALA C . 36075 1 462 . 1 1 40 40 ALA CA C 13 53.44 0.1 . 1 . . . . A 40 ALA CA . 36075 1 463 . 1 1 40 40 ALA CB C 13 23.1 0.1 . 1 . . . . A 40 ALA CB . 36075 1 464 . 1 1 40 40 ALA N N 15 123.54 0.2 . 1 . . . . A 40 ALA N . 36075 1 465 . 1 1 41 41 ALA H H 1 7.93 0.03 . 1 . . . . A 41 ALA H . 36075 1 466 . 1 1 41 41 ALA HA H 1 4.1 0.03 . 1 . . . . A 41 ALA HA . 36075 1 467 . 1 1 41 41 ALA HB1 H 1 1.96 0.03 . 1 . . . . A 41 ALA HB1 . 36075 1 468 . 1 1 41 41 ALA HB2 H 1 1.96 0.03 . 1 . . . . A 41 ALA HB2 . 36075 1 469 . 1 1 41 41 ALA HB3 H 1 1.96 0.03 . 1 . . . . A 41 ALA HB3 . 36075 1 470 . 1 1 41 41 ALA C C 13 179.41 0.1 . 1 . . . . A 41 ALA C . 36075 1 471 . 1 1 41 41 ALA CA C 13 52.41 0.1 . 1 . . . . A 41 ALA CA . 36075 1 472 . 1 1 41 41 ALA CB C 13 19.04 0.1 . 1 . . . . A 41 ALA CB . 36075 1 473 . 1 1 41 41 ALA N N 15 122.41 0.2 . 1 . . . . A 41 ALA N . 36075 1 474 . 1 1 42 42 GLU H H 1 7.14 0.03 . 1 . . . . A 42 GLU H . 36075 1 475 . 1 1 42 42 GLU HA H 1 3.98 0.03 . 1 . . . . A 42 GLU HA . 36075 1 476 . 1 1 42 42 GLU HB2 H 1 1.88 0.03 . 2 . . . . A 42 GLU HB2 . 36075 1 477 . 1 1 42 42 GLU HB3 H 1 1.78 0.03 . 2 . . . . A 42 GLU HB3 . 36075 1 478 . 1 1 42 42 GLU HG2 H 1 2.3 0.03 . 1 . . . . A 42 GLU HG2 . 36075 1 479 . 1 1 42 42 GLU HG3 H 1 2.3 0.03 . 1 . . . . A 42 GLU HG3 . 36075 1 480 . 1 1 42 42 GLU C C 13 174.35 0.1 . 1 . . . . A 42 GLU C . 36075 1 481 . 1 1 42 42 GLU CA C 13 57.25 0.1 . 1 . . . . A 42 GLU CA . 36075 1 482 . 1 1 42 42 GLU CB C 13 33.25 0.1 . 1 . . . . A 42 GLU CB . 36075 1 483 . 1 1 42 42 GLU CG C 13 37.41 0.1 . 1 . . . . A 42 GLU CG . 36075 1 484 . 1 1 42 42 GLU N N 15 119.8 0.2 . 1 . . . . A 42 GLU N . 36075 1 485 . 1 1 43 43 VAL H H 1 7.16 0.03 . 1 . . . . A 43 VAL H . 36075 1 486 . 1 1 43 43 VAL HA H 1 3.86 0.03 . 1 . . . . A 43 VAL HA . 36075 1 487 . 1 1 43 43 VAL HB H 1 1.67 0.03 . 1 . . . . A 43 VAL HB . 36075 1 488 . 1 1 43 43 VAL HG11 H 1 0.696 0.03 . 1 . . . . A 43 VAL HG11 . 36075 1 489 . 1 1 43 43 VAL HG12 H 1 0.696 0.03 . 1 . . . . A 43 VAL HG12 . 36075 1 490 . 1 1 43 43 VAL HG13 H 1 0.696 0.03 . 1 . . . . A 43 VAL HG13 . 36075 1 491 . 1 1 43 43 VAL HG21 H 1 0.321 0.03 . 1 . . . . A 43 VAL HG21 . 36075 1 492 . 1 1 43 43 VAL HG22 H 1 0.321 0.03 . 1 . . . . A 43 VAL HG22 . 36075 1 493 . 1 1 43 43 VAL HG23 H 1 0.321 0.03 . 1 . . . . A 43 VAL HG23 . 36075 1 494 . 1 1 43 43 VAL C C 13 179.63 0.1 . 1 . . . . A 43 VAL C . 36075 1 495 . 1 1 43 43 VAL CA C 13 62.52 0.1 . 1 . . . . A 43 VAL CA . 36075 1 496 . 1 1 43 43 VAL CB C 13 35.14 0.1 . 1 . . . . A 43 VAL CB . 36075 1 497 . 1 1 43 43 VAL CG1 C 13 21.36 0.1 . 2 . . . . A 43 VAL CG1 . 36075 1 498 . 1 1 43 43 VAL CG2 C 13 22.25 0.1 . 2 . . . . A 43 VAL CG2 . 36075 1 499 . 1 1 43 43 VAL N N 15 121.14 0.2 . 1 . . . . A 43 VAL N . 36075 1 500 . 1 1 44 44 THR H H 1 8.66 0.03 . 1 . . . . A 44 THR H . 36075 1 501 . 1 1 44 44 THR HA H 1 4.06 0.03 . 1 . . . . A 44 THR HA . 36075 1 502 . 1 1 44 44 THR HB H 1 3.85 0.03 . 1 . . . . A 44 THR HB . 36075 1 503 . 1 1 44 44 THR HG21 H 1 0.94 0.03 . 1 . . . . A 44 THR HG21 . 36075 1 504 . 1 1 44 44 THR HG22 H 1 0.94 0.03 . 1 . . . . A 44 THR HG22 . 36075 1 505 . 1 1 44 44 THR HG23 H 1 0.94 0.03 . 1 . . . . A 44 THR HG23 . 36075 1 506 . 1 1 44 44 THR C C 13 176.52 0.1 . 1 . . . . A 44 THR C . 36075 1 507 . 1 1 44 44 THR CA C 13 62.41 0.1 . 1 . . . . A 44 THR CA . 36075 1 508 . 1 1 44 44 THR CB C 13 70.25 0.1 . 1 . . . . A 44 THR CB . 36075 1 509 . 1 1 44 44 THR CG2 C 13 23.85 0.1 . 1 . . . . A 44 THR CG2 . 36075 1 510 . 1 1 44 44 THR N N 15 115.4 0.2 . 1 . . . . A 44 THR N . 36075 1 511 . 1 1 45 45 GLU H H 1 7.84 0.03 . 1 . . . . A 45 GLU H . 36075 1 512 . 1 1 45 45 GLU HA H 1 4.29 0.03 . 1 . . . . A 45 GLU HA . 36075 1 513 . 1 1 45 45 GLU HB2 H 1 1.99 0.03 . 1 . . . . A 45 GLU HB2 . 36075 1 514 . 1 1 45 45 GLU HB3 H 1 1.99 0.03 . 1 . . . . A 45 GLU HB3 . 36075 1 515 . 1 1 45 45 GLU HG2 H 1 2.3 0.03 . 1 . . . . A 45 GLU HG2 . 36075 1 516 . 1 1 45 45 GLU HG3 H 1 2.3 0.03 . 1 . . . . A 45 GLU HG3 . 36075 1 517 . 1 1 45 45 GLU C C 13 174.25 0.1 . 1 . . . . A 45 GLU C . 36075 1 518 . 1 1 45 45 GLU CA C 13 56.5 0.1 . 1 . . . . A 45 GLU CA . 36075 1 519 . 1 1 45 45 GLU CB C 13 32.54 0.1 . 1 . . . . A 45 GLU CB . 36075 1 520 . 1 1 45 45 GLU CG C 13 38.52 0.1 . 1 . . . . A 45 GLU CG . 36075 1 521 . 1 1 45 45 GLU N N 15 120.58 0.2 . 1 . . . . A 45 GLU N . 36075 1 522 . 1 1 46 46 MET H H 1 7.43 0.03 . 1 . . . . A 46 MET H . 36075 1 523 . 1 1 46 46 MET HA H 1 4.23 0.03 . 1 . . . . A 46 MET HA . 36075 1 524 . 1 1 46 46 MET HB2 H 1 1.85 0.03 . 2 . . . . A 46 MET HB2 . 36075 1 525 . 1 1 46 46 MET HB3 H 1 1.78 0.03 . 2 . . . . A 46 MET HB3 . 36075 1 526 . 1 1 46 46 MET HG2 H 1 2.22 0.03 . 1 . . . . A 46 MET HG2 . 36075 1 527 . 1 1 46 46 MET HG3 H 1 2.22 0.03 . 1 . . . . A 46 MET HG3 . 36075 1 528 . 1 1 46 46 MET HE1 H 1 1.5 0.03 . 1 . . . . A 46 MET HE1 . 36075 1 529 . 1 1 46 46 MET HE2 H 1 1.5 0.03 . 1 . . . . A 46 MET HE2 . 36075 1 530 . 1 1 46 46 MET HE3 H 1 1.5 0.03 . 1 . . . . A 46 MET HE3 . 36075 1 531 . 1 1 46 46 MET C C 13 179.5 0.1 . 1 . . . . A 46 MET C . 36075 1 532 . 1 1 46 46 MET CA C 13 55.47 0.1 . 1 . . . . A 46 MET CA . 36075 1 533 . 1 1 46 46 MET CB C 13 29.52 0.1 . 1 . . . . A 46 MET CB . 36075 1 534 . 1 1 46 46 MET CG C 13 33.14 0.1 . 1 . . . . A 46 MET CG . 36075 1 535 . 1 1 46 46 MET CE C 13 18.41 0.1 . 1 . . . . A 46 MET CE . 36075 1 536 . 1 1 46 46 MET N N 15 120.85 0.2 . 1 . . . . A 46 MET N . 36075 1 537 . 1 1 47 47 ALA H H 1 7.45 0.03 . 1 . . . . A 47 ALA H . 36075 1 538 . 1 1 47 47 ALA HA H 1 4.04 0.03 . 1 . . . . A 47 ALA HA . 36075 1 539 . 1 1 47 47 ALA HB1 H 1 1.83 0.03 . 1 . . . . A 47 ALA HB1 . 36075 1 540 . 1 1 47 47 ALA HB2 H 1 1.83 0.03 . 1 . . . . A 47 ALA HB2 . 36075 1 541 . 1 1 47 47 ALA HB3 H 1 1.83 0.03 . 1 . . . . A 47 ALA HB3 . 36075 1 542 . 1 1 47 47 ALA C C 13 178.3 0.1 . 1 . . . . A 47 ALA C . 36075 1 543 . 1 1 47 47 ALA CA C 13 53.41 0.1 . 1 . . . . A 47 ALA CA . 36075 1 544 . 1 1 47 47 ALA CB C 13 23.21 0.1 . 1 . . . . A 47 ALA CB . 36075 1 545 . 1 1 47 47 ALA N N 15 123.4 0.2 . 1 . . . . A 47 ALA N . 36075 1 546 . 1 1 48 48 HIS H H 1 8.33 0.03 . 1 . . . . A 48 HIS H . 36075 1 547 . 1 1 48 48 HIS HA H 1 4.86 0.03 . 1 . . . . A 48 HIS HA . 36075 1 548 . 1 1 48 48 HIS HB2 H 1 3.25 0.03 . 1 . . . . A 48 HIS HB2 . 36075 1 549 . 1 1 48 48 HIS HB3 H 1 3.25 0.03 . 1 . . . . A 48 HIS HB3 . 36075 1 550 . 1 1 48 48 HIS HD2 H 1 6.53 0.03 . 1 . . . . A 48 HIS HD2 . 36075 1 551 . 1 1 48 48 HIS HE1 H 1 7.14 0.03 . 1 . . . . A 48 HIS HE1 . 36075 1 552 . 1 1 48 48 HIS C C 13 173.2 0.1 . 1 . . . . A 48 HIS C . 36075 1 553 . 1 1 48 48 HIS CA C 13 56.47 0.1 . 1 . . . . A 48 HIS CA . 36075 1 554 . 1 1 48 48 HIS CB C 13 32.59 0.1 . 1 . . . . A 48 HIS CB . 36075 1 555 . 1 1 48 48 HIS CD2 C 13 123.25 0.1 . 1 . . . . A 48 HIS CD2 . 36075 1 556 . 1 1 48 48 HIS CE1 C 13 139.5 0.1 . 1 . . . . A 48 HIS CE1 . 36075 1 557 . 1 1 48 48 HIS N N 15 119.2 0.2 . 1 . . . . A 48 HIS N . 36075 1 558 . 1 1 49 49 THR HA H 1 4.11 0.03 . 1 . . . . A 49 THR HA . 36075 1 559 . 1 1 49 49 THR HB H 1 3.5 0.03 . 1 . . . . A 49 THR HB . 36075 1 560 . 1 1 49 49 THR HG21 H 1 0.97 0.03 . 1 . . . . A 49 THR HG21 . 36075 1 561 . 1 1 49 49 THR HG22 H 1 0.97 0.03 . 1 . . . . A 49 THR HG22 . 36075 1 562 . 1 1 49 49 THR HG23 H 1 0.97 0.03 . 1 . . . . A 49 THR HG23 . 36075 1 563 . 1 1 49 49 THR C C 13 176.52 0.1 . 1 . . . . A 49 THR C . 36075 1 564 . 1 1 49 49 THR CA C 13 61.97 0.1 . 1 . . . . A 49 THR CA . 36075 1 565 . 1 1 49 49 THR CB C 13 71.22 0.1 . 1 . . . . A 49 THR CB . 36075 1 566 . 1 1 49 49 THR CG2 C 13 19.5 0.1 . 1 . . . . A 49 THR CG2 . 36075 1 567 . 1 1 50 50 GLU H H 1 7.88 0.03 . 1 . . . . A 50 GLU H . 36075 1 568 . 1 1 50 50 GLU HA H 1 4.09 0.03 . 1 . . . . A 50 GLU HA . 36075 1 569 . 1 1 50 50 GLU HB2 H 1 1.85 0.03 . 1 . . . . A 50 GLU HB2 . 36075 1 570 . 1 1 50 50 GLU HB3 H 1 1.85 0.03 . 1 . . . . A 50 GLU HB3 . 36075 1 571 . 1 1 50 50 GLU HG2 H 1 2.5 0.03 . 1 . . . . A 50 GLU HG2 . 36075 1 572 . 1 1 50 50 GLU HG3 H 1 2.5 0.03 . 1 . . . . A 50 GLU HG3 . 36075 1 573 . 1 1 50 50 GLU C C 13 179.87 0.1 . 1 . . . . A 50 GLU C . 36075 1 574 . 1 1 50 50 GLU CA C 13 57.41 0.1 . 1 . . . . A 50 GLU CA . 36075 1 575 . 1 1 50 50 GLU CB C 13 29.14 0.1 . 1 . . . . A 50 GLU CB . 36075 1 576 . 1 1 50 50 GLU CG C 13 35.49 0.1 . 1 . . . . A 50 GLU CG . 36075 1 577 . 1 1 50 50 GLU N N 15 120.69 0.2 . 1 . . . . A 50 GLU N . 36075 1 578 . 1 1 51 51 THR H H 1 7.19 0.03 . 1 . . . . A 51 THR H . 36075 1 579 . 1 1 51 51 THR HA H 1 3.81 0.03 . 1 . . . . A 51 THR HA . 36075 1 580 . 1 1 51 51 THR HB H 1 4.51 0.03 . 1 . . . . A 51 THR HB . 36075 1 581 . 1 1 51 51 THR HG21 H 1 1.35 0.03 . 1 . . . . A 51 THR HG21 . 36075 1 582 . 1 1 51 51 THR HG22 H 1 1.35 0.03 . 1 . . . . A 51 THR HG22 . 36075 1 583 . 1 1 51 51 THR HG23 H 1 1.35 0.03 . 1 . . . . A 51 THR HG23 . 36075 1 584 . 1 1 51 51 THR C C 13 176.85 0.1 . 1 . . . . A 51 THR C . 36075 1 585 . 1 1 51 51 THR CA C 13 62.84 0.1 . 1 . . . . A 51 THR CA . 36075 1 586 . 1 1 51 51 THR CB C 13 70.68 0.1 . 1 . . . . A 51 THR CB . 36075 1 587 . 1 1 51 51 THR CG2 C 13 20.1 0.1 . 1 . . . . A 51 THR CG2 . 36075 1 588 . 1 1 51 51 THR N N 15 115.5 0.2 . 1 . . . . A 51 THR N . 36075 1 589 . 1 1 52 52 GLY H H 1 8.52 0.03 . 1 . . . . A 52 GLY H . 36075 1 590 . 1 1 52 52 GLY HA2 H 1 4.68 0.03 . 1 . . . . A 52 GLY HA2 . 36075 1 591 . 1 1 52 52 GLY HA3 H 1 4.68 0.03 . 1 . . . . A 52 GLY HA3 . 36075 1 592 . 1 1 52 52 GLY C C 13 173.5 0.1 . 1 . . . . A 52 GLY C . 36075 1 593 . 1 1 52 52 GLY CA C 13 45.38 0.1 . 1 . . . . A 52 GLY CA . 36075 1 594 . 1 1 52 52 GLY N N 15 109.98 0.2 . 1 . . . . A 52 GLY N . 36075 1 595 . 1 1 53 53 TRP H H 1 8.74 0.03 . 1 . . . . A 53 TRP H . 36075 1 596 . 1 1 53 53 TRP HA H 1 4.78 0.03 . 1 . . . . A 53 TRP HA . 36075 1 597 . 1 1 53 53 TRP HB2 H 1 3.52 0.03 . 1 . . . . A 53 TRP HB2 . 36075 1 598 . 1 1 53 53 TRP HB3 H 1 3.52 0.03 . 1 . . . . A 53 TRP HB3 . 36075 1 599 . 1 1 53 53 TRP HD1 H 1 7.25 0.03 . 1 . . . . A 53 TRP HD1 . 36075 1 600 . 1 1 53 53 TRP HE1 H 1 8.54 0.03 . 1 . . . . A 53 TRP HE1 . 36075 1 601 . 1 1 53 53 TRP HE3 H 1 7.31 0.03 . 1 . . . . A 53 TRP HE3 . 36075 1 602 . 1 1 53 53 TRP HZ2 H 1 6.54 0.03 . 1 . . . . A 53 TRP HZ2 . 36075 1 603 . 1 1 53 53 TRP HZ3 H 1 6.21 0.03 . 1 . . . . A 53 TRP HZ3 . 36075 1 604 . 1 1 53 53 TRP HH2 H 1 6.1 0.03 . 1 . . . . A 53 TRP HH2 . 36075 1 605 . 1 1 53 53 TRP C C 13 171.01 0.1 . 1 . . . . A 53 TRP C . 36075 1 606 . 1 1 53 53 TRP CA C 13 57.41 0.1 . 1 . . . . A 53 TRP CA . 36075 1 607 . 1 1 53 53 TRP CB C 13 29.52 0.1 . 1 . . . . A 53 TRP CB . 36075 1 608 . 1 1 53 53 TRP CD1 C 13 128.54 0.1 . 1 . . . . A 53 TRP CD1 . 36075 1 609 . 1 1 53 53 TRP CE3 C 13 125.14 0.1 . 1 . . . . A 53 TRP CE3 . 36075 1 610 . 1 1 53 53 TRP CZ2 C 13 115.81 0.1 . 1 . . . . A 53 TRP CZ2 . 36075 1 611 . 1 1 53 53 TRP CZ3 C 13 119.54 0.1 . 1 . . . . A 53 TRP CZ3 . 36075 1 612 . 1 1 53 53 TRP CH2 C 13 125.41 0.1 . 1 . . . . A 53 TRP CH2 . 36075 1 613 . 1 1 53 53 TRP N N 15 122.51 0.2 . 1 . . . . A 53 TRP N . 36075 1 614 . 1 1 53 53 TRP NE1 N 15 129.59 0.2 . 1 . . . . A 53 TRP NE1 . 36075 1 615 . 1 1 54 54 SER H H 1 8.03 0.03 . 1 . . . . A 54 SER H . 36075 1 616 . 1 1 54 54 SER HA H 1 3.39 0.03 . 1 . . . . A 54 SER HA . 36075 1 617 . 1 1 54 54 SER HB2 H 1 3.52 0.03 . 1 . . . . A 54 SER HB2 . 36075 1 618 . 1 1 54 54 SER HB3 H 1 3.52 0.03 . 1 . . . . A 54 SER HB3 . 36075 1 619 . 1 1 54 54 SER C C 13 176.5 0.1 . 1 . . . . A 54 SER C . 36075 1 620 . 1 1 54 54 SER CA C 13 58.47 0.1 . 1 . . . . A 54 SER CA . 36075 1 621 . 1 1 54 54 SER CB C 13 68.2 0.1 . 1 . . . . A 54 SER CB . 36075 1 622 . 1 1 54 54 SER N N 15 119.8 0.2 . 1 . . . . A 54 SER N . 36075 1 623 . 1 1 55 55 CYS H H 1 10.25 0.03 . 1 . . . . A 55 CYS H . 36075 1 624 . 1 1 55 55 CYS HA H 1 4.11 0.03 . 1 . . . . A 55 CYS HA . 36075 1 625 . 1 1 55 55 CYS HB2 H 1 2.55 0.03 . 2 . . . . A 55 CYS HB2 . 36075 1 626 . 1 1 55 55 CYS HB3 H 1 2.51 0.03 . 2 . . . . A 55 CYS HB3 . 36075 1 627 . 1 1 55 55 CYS CA C 13 58.32 0.1 . 1 . . . . A 55 CYS CA . 36075 1 628 . 1 1 55 55 CYS CB C 13 28.14 0.1 . 1 . . . . A 55 CYS CB . 36075 1 629 . 1 1 55 55 CYS N N 15 124.14 0.2 . 1 . . . . A 55 CYS N . 36075 1 630 . 1 1 56 56 HIS H H 1 7.69 0.03 . 1 . . . . A 56 HIS H . 36075 1 631 . 1 1 56 56 HIS HA H 1 4.33 0.03 . 1 . . . . A 56 HIS HA . 36075 1 632 . 1 1 56 56 HIS HB2 H 1 2.51 0.03 . 1 . . . . A 56 HIS HB2 . 36075 1 633 . 1 1 56 56 HIS HB3 H 1 2.51 0.03 . 1 . . . . A 56 HIS HB3 . 36075 1 634 . 1 1 56 56 HIS HD2 H 1 6.25 0.03 . 1 . . . . A 56 HIS HD2 . 36075 1 635 . 1 1 56 56 HIS HE1 H 1 6.25 0.03 . 1 . . . . A 56 HIS HE1 . 36075 1 636 . 1 1 56 56 HIS C C 13 178.14 0.1 . 1 . . . . A 56 HIS C . 36075 1 637 . 1 1 56 56 HIS CA C 13 56.78 0.1 . 1 . . . . A 56 HIS CA . 36075 1 638 . 1 1 56 56 HIS CB C 13 29.54 0.1 . 1 . . . . A 56 HIS CB . 36075 1 639 . 1 1 56 56 HIS CD2 C 13 123.25 0.1 . 1 . . . . A 56 HIS CD2 . 36075 1 640 . 1 1 56 56 HIS CE1 C 13 137.709 0.1 . 1 . . . . A 56 HIS CE1 . 36075 1 641 . 1 1 56 56 HIS N N 15 115.41 0.2 . 1 . . . . A 56 HIS N . 36075 1 642 . 1 1 57 57 TYR H H 1 9.41 0.03 . 1 . . . . A 57 TYR H . 36075 1 643 . 1 1 57 57 TYR HA H 1 3.99 0.03 . 1 . . . . A 57 TYR HA . 36075 1 644 . 1 1 57 57 TYR HB2 H 1 3.12 0.03 . 1 . . . . A 57 TYR HB2 . 36075 1 645 . 1 1 57 57 TYR HB3 H 1 3.12 0.03 . 1 . . . . A 57 TYR HB3 . 36075 1 646 . 1 1 57 57 TYR HD1 H 1 7.51 0.03 . 1 . . . . A 57 TYR HD1 . 36075 1 647 . 1 1 57 57 TYR HD2 H 1 7.51 0.03 . 1 . . . . A 57 TYR HD2 . 36075 1 648 . 1 1 57 57 TYR HE1 H 1 6.99 0.03 . 1 . . . . A 57 TYR HE1 . 36075 1 649 . 1 1 57 57 TYR HE2 H 1 6.99 0.03 . 1 . . . . A 57 TYR HE2 . 36075 1 650 . 1 1 57 57 TYR C C 13 179.51 0.1 . 1 . . . . A 57 TYR C . 36075 1 651 . 1 1 57 57 TYR CA C 13 58.12 0.1 . 1 . . . . A 57 TYR CA . 36075 1 652 . 1 1 57 57 TYR CB C 13 35.41 0.1 . 1 . . . . A 57 TYR CB . 36075 1 653 . 1 1 57 57 TYR CD1 C 13 135.41 0.1 . 1 . . . . A 57 TYR CD1 . 36075 1 654 . 1 1 57 57 TYR CD2 C 13 135.41 0.1 . 1 . . . . A 57 TYR CD2 . 36075 1 655 . 1 1 57 57 TYR CE1 C 13 121.1 0.1 . 1 . . . . A 57 TYR CE1 . 36075 1 656 . 1 1 57 57 TYR CE2 C 13 121.1 0.1 . 1 . . . . A 57 TYR CE2 . 36075 1 657 . 1 1 57 57 TYR N N 15 120.85 0.2 . 1 . . . . A 57 TYR N . 36075 1 658 . 1 1 58 58 CYS H H 1 8.65 0.03 . 1 . . . . A 58 CYS H . 36075 1 659 . 1 1 58 58 CYS HA H 1 4.32 0.03 . 1 . . . . A 58 CYS HA . 36075 1 660 . 1 1 58 58 CYS HB2 H 1 2.9 0.03 . 2 . . . . A 58 CYS HB2 . 36075 1 661 . 1 1 58 58 CYS HB3 H 1 2.82 0.03 . 2 . . . . A 58 CYS HB3 . 36075 1 662 . 1 1 58 58 CYS C C 13 179.5 0.1 . 1 . . . . A 58 CYS C . 36075 1 663 . 1 1 58 58 CYS CA C 13 58.21 0.1 . 1 . . . . A 58 CYS CA . 36075 1 664 . 1 1 58 58 CYS CB C 13 29.74 0.1 . 1 . . . . A 58 CYS CB . 36075 1 665 . 1 1 58 58 CYS N N 15 121.7 0.2 . 1 . . . . A 58 CYS N . 36075 1 666 . 1 1 59 59 ASP H H 1 8.57 0.03 . 1 . . . . A 59 ASP H . 36075 1 667 . 1 1 59 59 ASP HA H 1 4.18 0.03 . 1 . . . . A 59 ASP HA . 36075 1 668 . 1 1 59 59 ASP HB2 H 1 2.54 0.03 . 1 . . . . A 59 ASP HB2 . 36075 1 669 . 1 1 59 59 ASP HB3 H 1 2.54 0.03 . 1 . . . . A 59 ASP HB3 . 36075 1 670 . 1 1 59 59 ASP C C 13 174.52 0.1 . 1 . . . . A 59 ASP C . 36075 1 671 . 1 1 59 59 ASP CA C 13 53.65 0.1 . 1 . . . . A 59 ASP CA . 36075 1 672 . 1 1 59 59 ASP CB C 13 39.7 0.1 . 1 . . . . A 59 ASP CB . 36075 1 stop_ save_