data_34149 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34149 _Entry.Title ; Solution NMR structure of human GATA2 C-terminal zinc finger domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-16 _Entry.Accession_date 2017-06-16 _Entry.Last_release_date 2018-05-14 _Entry.Original_release_date 2018-05-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34149 stop_ 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 S. Nurmohamed S. S. . . 34149 2 R. Broadhurst R. W. . . 34149 3 G. May G. . . . 34149 4 T. Enver T. . . . 34149 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GATA . 34149 Haematopoeisis . 34149 'Transcription factor' . 34149 transcription . 34149 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34149 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 34149 '15N chemical shifts' 64 34149 '1H chemical shifts' 352 34149 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 . . 2019-02-01 . original BMRB . 34149 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5O9B . 34149 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34149 _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 NMR structure of human GATA2 C-terminal zinc finger domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 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 . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Nurmohamed S. S. . . 34149 1 2 R. Broadhurst R. W. . . 34149 1 3 G. May G. . . . 34149 1 4 T. Enver T. . . . 34149 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34149 _Assembly.ID 1 _Assembly.Name 'Endothelial transcription factor GATA-2' _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 . . . . . . 34149 1 2 entity_2 2 $entity_ZN B A no . . . . . . 34149 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 26 26 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34149 1 2 coordination single . 1 . 1 CYS 29 29 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34149 1 3 coordination single . 1 . 1 CYS 47 47 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34149 1 4 coordination single . 1 . 1 CYS 50 50 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34149 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34149 _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 ; MAHHHHHHSSGLEVLFQGPR RAGTCCANCQTTTTTLWRRN ANGDPVCNACGLYYKLHNVN RPLTMKKE ; _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7700.792 _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 'GATA-binding protein 2' na 34149 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 -18 MET . 34149 1 2 -17 ALA . 34149 1 3 -16 HIS . 34149 1 4 -15 HIS . 34149 1 5 -14 HIS . 34149 1 6 -13 HIS . 34149 1 7 -12 HIS . 34149 1 8 -11 HIS . 34149 1 9 -10 SER . 34149 1 10 -9 SER . 34149 1 11 -8 GLY . 34149 1 12 -7 LEU . 34149 1 13 -6 GLU . 34149 1 14 -5 VAL . 34149 1 15 -4 LEU . 34149 1 16 -3 PHE . 34149 1 17 -2 GLN . 34149 1 18 -1 GLY . 34149 1 19 0 PRO . 34149 1 20 1 ARG . 34149 1 21 2 ARG . 34149 1 22 3 ALA . 34149 1 23 4 GLY . 34149 1 24 5 THR . 34149 1 25 6 CYS . 34149 1 26 7 CYS . 34149 1 27 8 ALA . 34149 1 28 9 ASN . 34149 1 29 10 CYS . 34149 1 30 11 GLN . 34149 1 31 12 THR . 34149 1 32 13 THR . 34149 1 33 14 THR . 34149 1 34 15 THR . 34149 1 35 16 THR . 34149 1 36 17 LEU . 34149 1 37 18 TRP . 34149 1 38 19 ARG . 34149 1 39 20 ARG . 34149 1 40 21 ASN . 34149 1 41 22 ALA . 34149 1 42 23 ASN . 34149 1 43 24 GLY . 34149 1 44 25 ASP . 34149 1 45 26 PRO . 34149 1 46 27 VAL . 34149 1 47 28 CYS . 34149 1 48 29 ASN . 34149 1 49 30 ALA . 34149 1 50 31 CYS . 34149 1 51 32 GLY . 34149 1 52 33 LEU . 34149 1 53 34 TYR . 34149 1 54 35 TYR . 34149 1 55 36 LYS . 34149 1 56 37 LEU . 34149 1 57 38 HIS . 34149 1 58 39 ASN . 34149 1 59 40 VAL . 34149 1 60 41 ASN . 34149 1 61 42 ARG . 34149 1 62 43 PRO . 34149 1 63 44 LEU . 34149 1 64 45 THR . 34149 1 65 46 MET . 34149 1 66 47 LYS . 34149 1 67 48 LYS . 34149 1 68 49 GLU . 34149 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 . MET 1 1 34149 1 . ALA 2 2 34149 1 . HIS 3 3 34149 1 . HIS 4 4 34149 1 . HIS 5 5 34149 1 . HIS 6 6 34149 1 . HIS 7 7 34149 1 . HIS 8 8 34149 1 . SER 9 9 34149 1 . SER 10 10 34149 1 . GLY 11 11 34149 1 . LEU 12 12 34149 1 . GLU 13 13 34149 1 . VAL 14 14 34149 1 . LEU 15 15 34149 1 . PHE 16 16 34149 1 . GLN 17 17 34149 1 . GLY 18 18 34149 1 . PRO 19 19 34149 1 . ARG 20 20 34149 1 . ARG 21 21 34149 1 . ALA 22 22 34149 1 . GLY 23 23 34149 1 . THR 24 24 34149 1 . CYS 25 25 34149 1 . CYS 26 26 34149 1 . ALA 27 27 34149 1 . ASN 28 28 34149 1 . CYS 29 29 34149 1 . GLN 30 30 34149 1 . THR 31 31 34149 1 . THR 32 32 34149 1 . THR 33 33 34149 1 . THR 34 34 34149 1 . THR 35 35 34149 1 . LEU 36 36 34149 1 . TRP 37 37 34149 1 . ARG 38 38 34149 1 . ARG 39 39 34149 1 . ASN 40 40 34149 1 . ALA 41 41 34149 1 . ASN 42 42 34149 1 . GLY 43 43 34149 1 . ASP 44 44 34149 1 . PRO 45 45 34149 1 . VAL 46 46 34149 1 . CYS 47 47 34149 1 . ASN 48 48 34149 1 . ALA 49 49 34149 1 . CYS 50 50 34149 1 . GLY 51 51 34149 1 . LEU 52 52 34149 1 . TYR 53 53 34149 1 . TYR 54 54 34149 1 . LYS 55 55 34149 1 . LEU 56 56 34149 1 . HIS 57 57 34149 1 . ASN 58 58 34149 1 . VAL 59 59 34149 1 . ASN 60 60 34149 1 . ARG 61 61 34149 1 . PRO 62 62 34149 1 . LEU 63 63 34149 1 . THR 64 64 34149 1 . MET 65 65 34149 1 . LYS 66 66 34149 1 . LYS 67 67 34149 1 . GLU 68 68 34149 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34149 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34149 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 34149 2 ZN 'Three letter code' 34149 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 34149 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 34149 _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 . . . . . . . . . . . GATA2 . 34149 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 34149 _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 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34149 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 34149 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34149 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34149 ZN [Zn++] SMILES CACTVS 3.341 34149 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34149 ZN [Zn+2] SMILES ACDLabs 10.04 34149 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34149 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34149 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 34149 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34149 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 . 34149 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34149 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mg/L [U-99% 13C; U-99% 15N] GATA2 Zinc Finger 2, 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 'GATA2 Zinc Finger 2' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 10 . . mg/L . . . . 34149 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 34149 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34149 1 pH 7 . pH 34149 1 pressure 1 . Pa 34149 1 temperature 273 . K 34149 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34149 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34149 1 'structure calculation' 34149 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34149 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version 2.4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34149 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34149 2 'peak picking' 34149 2 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 34149 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34149 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX800 _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 34149 _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 NMR_spectrometer_1 Bruker DRX500 . 500 . . . 34149 1 2 NMR_spectrometer_2 Bruker DRX800 . 800 . . . 34149 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 34149 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34149 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34149 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34149 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34149 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34149 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34149 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34149 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34149 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34149 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34149 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 34149 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25144953 . . . . . 34149 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 34149 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.10132912 . . . . . 34149 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 34149 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _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' . . . 34149 1 2 '3D 1H-13C NOESY' . . . 34149 1 3 '3D HNCA' . . . 34149 1 4 '3D HNCACB' . . . 34149 1 5 '3D CBCA(CO)NH' . . . 34149 1 6 '3D 1H-15N TOCSY' . . . 34149 1 7 '3D HBHA(CO)NH' . . . 34149 1 8 '3D HNCO' . . . 34149 1 9 '2D 1H-15N HSQC' . . . 34149 1 10 '2D 1H-13C HSQC' . . . 34149 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 ALA HA H 1 3.979 0.012 . 1 . . . . A -17 ALA HA . 34149 1 2 . 1 1 2 2 ALA HB1 H 1 1.395 0.011 . 1 . . . . A -17 ALA HB1 . 34149 1 3 . 1 1 2 2 ALA HB2 H 1 1.395 0.011 . 1 . . . . A -17 ALA HB2 . 34149 1 4 . 1 1 2 2 ALA HB3 H 1 1.395 0.011 . 1 . . . . A -17 ALA HB3 . 34149 1 5 . 1 1 2 2 ALA CA C 13 51.694 0.005 . 1 . . . . A -17 ALA CA . 34149 1 6 . 1 1 2 2 ALA CB C 13 19.716 0.013 . 1 . . . . A -17 ALA CB . 34149 1 7 . 1 1 9 9 SER HA H 1 4.452 0.01 . 1 . . . . A -10 SER HA . 34149 1 8 . 1 1 9 9 SER HB2 H 1 3.821 0.002 . 1 . . . . A -10 SER HB2 . 34149 1 9 . 1 1 9 9 SER CA C 13 58.43 0.056 . 1 . . . . A -10 SER CA . 34149 1 10 . 1 1 9 9 SER CB C 13 63.729 0.036 . 1 . . . . A -10 SER CB . 34149 1 11 . 1 1 10 10 SER H H 1 8.601 0.008 . 1 . . . . A -9 SER H . 34149 1 12 . 1 1 10 10 SER HA H 1 4.465 0.03 . 1 . . . . A -9 SER HA . 34149 1 13 . 1 1 10 10 SER HB2 H 1 3.885 0.004 . 1 . . . . A -9 SER HB2 . 34149 1 14 . 1 1 10 10 SER CA C 13 58.594 0.105 . 1 . . . . A -9 SER CA . 34149 1 15 . 1 1 10 10 SER CB C 13 63.78 0.071 . 1 . . . . A -9 SER CB . 34149 1 16 . 1 1 10 10 SER N N 15 117.884 0.046 . 1 . . . . A -9 SER N . 34149 1 17 . 1 1 11 11 GLY H H 1 8.516 0.004 . 1 . . . . A -8 GLY H . 34149 1 18 . 1 1 11 11 GLY HA2 H 1 3.963 0.021 . 1 . . . . A -8 GLY HA2 . 34149 1 19 . 1 1 11 11 GLY CA C 13 45.379 0.037 . 1 . . . . A -8 GLY CA . 34149 1 20 . 1 1 11 11 GLY N N 15 110.436 0.047 . 1 . . . . A -8 GLY N . 34149 1 21 . 1 1 12 12 LEU H H 1 8.105 0.01 . 1 . . . . A -7 LEU H . 34149 1 22 . 1 1 12 12 LEU HA H 1 4.323 0.011 . 1 . . . . A -7 LEU HA . 34149 1 23 . 1 1 12 12 LEU HB2 H 1 1.426 0.024 . 2 . . . . A -7 LEU HB2 . 34149 1 24 . 1 1 12 12 LEU HB3 H 1 1.583 0.027 . 2 . . . . A -7 LEU HB3 . 34149 1 25 . 1 1 12 12 LEU HD11 H 1 0.899 0 . 2 . . . . A -7 LEU HD11 . 34149 1 26 . 1 1 12 12 LEU HD12 H 1 0.899 0 . 2 . . . . A -7 LEU HD12 . 34149 1 27 . 1 1 12 12 LEU HD13 H 1 0.899 0 . 2 . . . . A -7 LEU HD13 . 34149 1 28 . 1 1 12 12 LEU HD21 H 1 0.816 0 . 2 . . . . A -7 LEU HD21 . 34149 1 29 . 1 1 12 12 LEU HD22 H 1 0.816 0 . 2 . . . . A -7 LEU HD22 . 34149 1 30 . 1 1 12 12 LEU HD23 H 1 0.816 0 . 2 . . . . A -7 LEU HD23 . 34149 1 31 . 1 1 12 12 LEU CA C 13 55.103 0.04 . 1 . . . . A -7 LEU CA . 34149 1 32 . 1 1 12 12 LEU CB C 13 42.323 0.017 . 1 . . . . A -7 LEU CB . 34149 1 33 . 1 1 12 12 LEU CD2 C 13 23.267 0 . 1 . . . . A -7 LEU CD2 . 34149 1 34 . 1 1 12 12 LEU N N 15 120.896 0.056 . 1 . . . . A -7 LEU N . 34149 1 35 . 1 1 13 13 GLU H H 1 8.533 0.01 . 1 . . . . A -6 GLU H . 34149 1 36 . 1 1 13 13 GLU HA H 1 4.225 0.004 . 1 . . . . A -6 GLU HA . 34149 1 37 . 1 1 13 13 GLU HB2 H 1 1.844 0 . 2 . . . . A -6 GLU HB2 . 34149 1 38 . 1 1 13 13 GLU HB3 H 1 1.53 0 . 2 . . . . A -6 GLU HB3 . 34149 1 39 . 1 1 13 13 GLU HG2 H 1 2.245 0 . 1 . . . . A -6 GLU HG2 . 34149 1 40 . 1 1 13 13 GLU CA C 13 56.791 0.031 . 1 . . . . A -6 GLU CA . 34149 1 41 . 1 1 13 13 GLU CB C 13 29.986 0.05 . 1 . . . . A -6 GLU CB . 34149 1 42 . 1 1 13 13 GLU CG C 13 34.471 0 . 1 . . . . A -6 GLU CG . 34149 1 43 . 1 1 13 13 GLU N N 15 121.249 0.067 . 1 . . . . A -6 GLU N . 34149 1 44 . 1 1 14 14 VAL H H 1 8.129 0.007 . 1 . . . . A -5 VAL H . 34149 1 45 . 1 1 14 14 VAL HA H 1 4.032 0.014 . 1 . . . . A -5 VAL HA . 34149 1 46 . 1 1 14 14 VAL HB H 1 2.028 0.001 . 1 . . . . A -5 VAL HB . 34149 1 47 . 1 1 14 14 VAL HG11 H 1 0.854 0.017 . 2 . . . . A -5 VAL HG11 . 34149 1 48 . 1 1 14 14 VAL HG12 H 1 0.854 0.017 . 2 . . . . A -5 VAL HG12 . 34149 1 49 . 1 1 14 14 VAL HG13 H 1 0.854 0.017 . 2 . . . . A -5 VAL HG13 . 34149 1 50 . 1 1 14 14 VAL HG21 H 1 0.884 0.01 . 2 . . . . A -5 VAL HG21 . 34149 1 51 . 1 1 14 14 VAL HG22 H 1 0.884 0.01 . 2 . . . . A -5 VAL HG22 . 34149 1 52 . 1 1 14 14 VAL HG23 H 1 0.884 0.01 . 2 . . . . A -5 VAL HG23 . 34149 1 53 . 1 1 14 14 VAL CA C 13 62.344 0.035 . 1 . . . . A -5 VAL CA . 34149 1 54 . 1 1 14 14 VAL CB C 13 32.56 0.05 . 1 . . . . A -5 VAL CB . 34149 1 55 . 1 1 14 14 VAL CG1 C 13 21.08 0.119 . 1 . . . . A -5 VAL CG1 . 34149 1 56 . 1 1 14 14 VAL CG2 C 13 20.51 0 . 1 . . . . A -5 VAL CG2 . 34149 1 57 . 1 1 14 14 VAL N N 15 120.868 0.015 . 1 . . . . A -5 VAL N . 34149 1 58 . 1 1 15 15 LEU H H 1 8.235 0.025 . 1 . . . . A -4 LEU H . 34149 1 59 . 1 1 15 15 LEU HA H 1 4.315 0.008 . 1 . . . . A -4 LEU HA . 34149 1 60 . 1 1 15 15 LEU HB2 H 1 1.361 0.029 . 2 . . . . A -4 LEU HB2 . 34149 1 61 . 1 1 15 15 LEU HB3 H 1 1.547 0 . 2 . . . . A -4 LEU HB3 . 34149 1 62 . 1 1 15 15 LEU HD11 H 1 0.844 0 . 1 . . . . A -4 LEU HD11 . 34149 1 63 . 1 1 15 15 LEU HD12 H 1 0.844 0 . 1 . . . . A -4 LEU HD12 . 34149 1 64 . 1 1 15 15 LEU HD13 H 1 0.844 0 . 1 . . . . A -4 LEU HD13 . 34149 1 65 . 1 1 15 15 LEU CA C 13 54.918 0.02 . 1 . . . . A -4 LEU CA . 34149 1 66 . 1 1 15 15 LEU CB C 13 42.347 0.043 . 1 . . . . A -4 LEU CB . 34149 1 67 . 1 1 15 15 LEU N N 15 124.965 0.116 . 1 . . . . A -4 LEU N . 34149 1 68 . 1 1 16 16 PHE H H 1 8.262 0.03 . 1 . . . . A -3 PHE H . 34149 1 69 . 1 1 16 16 PHE HA H 1 4.584 0.022 . 1 . . . . A -3 PHE HA . 34149 1 70 . 1 1 16 16 PHE HB2 H 1 3.042 0.037 . 1 . . . . A -3 PHE HB2 . 34149 1 71 . 1 1 16 16 PHE HD1 H 1 7.199 0 . 1 . . . . A -3 PHE HD1 . 34149 1 72 . 1 1 16 16 PHE HD2 H 1 7.199 0 . 1 . . . . A -3 PHE HD2 . 34149 1 73 . 1 1 16 16 PHE HE1 H 1 7.288 0 . 1 . . . . A -3 PHE HE1 . 34149 1 74 . 1 1 16 16 PHE HE2 H 1 7.288 0 . 1 . . . . A -3 PHE HE2 . 34149 1 75 . 1 1 16 16 PHE HZ H 1 7.243 0 . 1 . . . . A -3 PHE HZ . 34149 1 76 . 1 1 16 16 PHE CA C 13 57.782 0.03 . 1 . . . . A -3 PHE CA . 34149 1 77 . 1 1 16 16 PHE CB C 13 39.462 0.017 . 1 . . . . A -3 PHE CB . 34149 1 78 . 1 1 16 16 PHE CD1 C 13 131.59 0 . 1 . . . . A -3 PHE CD1 . 34149 1 79 . 1 1 16 16 PHE CD2 C 13 131.59 0 . 1 . . . . A -3 PHE CD2 . 34149 1 80 . 1 1 16 16 PHE CE1 C 13 131.6 0 . 1 . . . . A -3 PHE CE1 . 34149 1 81 . 1 1 16 16 PHE CE2 C 13 131.6 0 . 1 . . . . A -3 PHE CE2 . 34149 1 82 . 1 1 16 16 PHE CZ C 13 129.692 0 . 1 . . . . A -3 PHE CZ . 34149 1 83 . 1 1 16 16 PHE N N 15 120.761 0.103 . 1 . . . . A -3 PHE N . 34149 1 84 . 1 1 17 17 GLN H H 1 8.313 0.027 . 1 . . . . A -2 GLN H . 34149 1 85 . 1 1 17 17 GLN HA H 1 4.353 0.015 . 1 . . . . A -2 GLN HA . 34149 1 86 . 1 1 17 17 GLN HB2 H 1 1.877 0.034 . 2 . . . . A -2 GLN HB2 . 34149 1 87 . 1 1 17 17 GLN HB3 H 1 2.029 0.069 . 2 . . . . A -2 GLN HB3 . 34149 1 88 . 1 1 17 17 GLN HG2 H 1 2.271 0 . 1 . . . . A -2 GLN HG2 . 34149 1 89 . 1 1 17 17 GLN HE21 H 1 7.169 0.008 . 1 . . . . A -2 GLN HE21 . 34149 1 90 . 1 1 17 17 GLN HE22 H 1 6.462 0.009 . 1 . . . . A -2 GLN HE22 . 34149 1 91 . 1 1 17 17 GLN CA C 13 55.32 0.045 . 1 . . . . A -2 GLN CA . 34149 1 92 . 1 1 17 17 GLN CB C 13 29.766 0.112 . 1 . . . . A -2 GLN CB . 34149 1 93 . 1 1 17 17 GLN CG C 13 33.668 0 . 1 . . . . A -2 GLN CG . 34149 1 94 . 1 1 17 17 GLN N N 15 122.348 0.121 . 1 . . . . A -2 GLN N . 34149 1 95 . 1 1 17 17 GLN NE2 N 15 112.147 0.068 . 1 . . . . A -2 GLN NE2 . 34149 1 96 . 1 1 18 18 GLY H H 1 7.848 0.01 . 1 . . . . A -1 GLY H . 34149 1 97 . 1 1 18 18 GLY HA2 H 1 4.03 0.021 . 1 . . . . A -1 GLY HA2 . 34149 1 98 . 1 1 18 18 GLY CA C 13 44.573 0.021 . 1 . . . . A -1 GLY CA . 34149 1 99 . 1 1 18 18 GLY N N 15 109.52 0.049 . 1 . . . . A -1 GLY N . 34149 1 100 . 1 1 19 19 PRO HA H 1 4.425 0.009 . 1 . . . . A 0 PRO HA . 34149 1 101 . 1 1 19 19 PRO HB2 H 1 2.281 0 . 2 . . . . A 0 PRO HB2 . 34149 1 102 . 1 1 19 19 PRO HB3 H 1 1.87 0 . 2 . . . . A 0 PRO HB3 . 34149 1 103 . 1 1 19 19 PRO HG2 H 1 1.995 0 . 1 . . . . A 0 PRO HG2 . 34149 1 104 . 1 1 19 19 PRO HD2 H 1 3.628 0.012 . 1 . . . . A 0 PRO HD2 . 34149 1 105 . 1 1 19 19 PRO CA C 13 62.986 0.064 . 1 . . . . A 0 PRO CA . 34149 1 106 . 1 1 19 19 PRO CG C 13 27.169 0 . 1 . . . . A 0 PRO CG . 34149 1 107 . 1 1 19 19 PRO CD C 13 49.712 0 . 1 . . . . A 0 PRO CD . 34149 1 108 . 1 1 20 20 ARG H H 1 8.497 0.009 . 1 . . . . A 1 ARG H . 34149 1 109 . 1 1 20 20 ARG HA H 1 4.285 0.033 . 1 . . . . A 1 ARG HA . 34149 1 110 . 1 1 20 20 ARG HB2 H 1 1.658 0.009 . 2 . . . . A 1 ARG HB2 . 34149 1 111 . 1 1 20 20 ARG HB3 H 1 1.599 0.011 . 2 . . . . A 1 ARG HB3 . 34149 1 112 . 1 1 20 20 ARG HD2 H 1 3.14 0 . 1 . . . . A 1 ARG HD2 . 34149 1 113 . 1 1 20 20 ARG CA C 13 55.951 0.028 . 1 . . . . A 1 ARG CA . 34149 1 114 . 1 1 20 20 ARG CB C 13 30.675 0.058 . 1 . . . . A 1 ARG CB . 34149 1 115 . 1 1 20 20 ARG N N 15 121.047 0.078 . 1 . . . . A 1 ARG N . 34149 1 116 . 1 1 21 21 ARG H H 1 8.385 0.024 . 1 . . . . A 2 ARG H . 34149 1 117 . 1 1 21 21 ARG HA H 1 4.281 0.01 . 1 . . . . A 2 ARG HA . 34149 1 118 . 1 1 21 21 ARG HB2 H 1 1.795 0.009 . 2 . . . . A 2 ARG HB2 . 34149 1 119 . 1 1 21 21 ARG HB3 H 1 1.724 0.015 . 2 . . . . A 2 ARG HB3 . 34149 1 120 . 1 1 21 21 ARG HG2 H 1 1.586 0.005 . 1 . . . . A 2 ARG HG2 . 34149 1 121 . 1 1 21 21 ARG HD2 H 1 3.128 0.004 . 1 . . . . A 2 ARG HD2 . 34149 1 122 . 1 1 21 21 ARG CA C 13 55.715 0.082 . 1 . . . . A 2 ARG CA . 34149 1 123 . 1 1 21 21 ARG CB C 13 30.739 0.09 . 1 . . . . A 2 ARG CB . 34149 1 124 . 1 1 21 21 ARG CG C 13 26.992 0.017 . 1 . . . . A 2 ARG CG . 34149 1 125 . 1 1 21 21 ARG CD C 13 43.204 0 . 1 . . . . A 2 ARG CD . 34149 1 126 . 1 1 21 21 ARG N N 15 122.512 0.061 . 1 . . . . A 2 ARG N . 34149 1 127 . 1 1 22 22 ALA H H 1 8.474 0.023 . 1 . . . . A 3 ALA H . 34149 1 128 . 1 1 22 22 ALA HA H 1 4.298 0.015 . 1 . . . . A 3 ALA HA . 34149 1 129 . 1 1 22 22 ALA HB1 H 1 1.367 0.019 . 1 . . . . A 3 ALA HB1 . 34149 1 130 . 1 1 22 22 ALA HB2 H 1 1.367 0.019 . 1 . . . . A 3 ALA HB2 . 34149 1 131 . 1 1 22 22 ALA HB3 H 1 1.367 0.019 . 1 . . . . A 3 ALA HB3 . 34149 1 132 . 1 1 22 22 ALA CA C 13 52.599 0.033 . 1 . . . . A 3 ALA CA . 34149 1 133 . 1 1 22 22 ALA CB C 13 19.155 0.067 . 1 . . . . A 3 ALA CB . 34149 1 134 . 1 1 22 22 ALA N N 15 125.587 0.077 . 1 . . . . A 3 ALA N . 34149 1 135 . 1 1 23 23 GLY H H 1 8.415 0.03 . 1 . . . . A 4 GLY H . 34149 1 136 . 1 1 23 23 GLY HA2 H 1 3.891 0.014 . 1 . . . . A 4 GLY HA2 . 34149 1 137 . 1 1 23 23 GLY CA C 13 45.014 0.039 . 1 . . . . A 4 GLY CA . 34149 1 138 . 1 1 23 23 GLY N N 15 108.241 0.075 . 1 . . . . A 4 GLY N . 34149 1 139 . 1 1 24 24 THR H H 1 7.867 0.011 . 1 . . . . A 5 THR H . 34149 1 140 . 1 1 24 24 THR HA H 1 3.798 0.016 . 1 . . . . A 5 THR HA . 34149 1 141 . 1 1 24 24 THR HB H 1 3.301 0.021 . 1 . . . . A 5 THR HB . 34149 1 142 . 1 1 24 24 THR HG21 H 1 -0.096 0.03 . 1 . . . . A 5 THR HG21 . 34149 1 143 . 1 1 24 24 THR HG22 H 1 -0.096 0.03 . 1 . . . . A 5 THR HG22 . 34149 1 144 . 1 1 24 24 THR HG23 H 1 -0.096 0.03 . 1 . . . . A 5 THR HG23 . 34149 1 145 . 1 1 24 24 THR CA C 13 63.116 0.065 . 1 . . . . A 5 THR CA . 34149 1 146 . 1 1 24 24 THR CB C 13 69.326 0.056 . 1 . . . . A 5 THR CB . 34149 1 147 . 1 1 24 24 THR CG2 C 13 20.285 0.045 . 1 . . . . A 5 THR CG2 . 34149 1 148 . 1 1 24 24 THR N N 15 116.76 0.132 . 1 . . . . A 5 THR N . 34149 1 149 . 1 1 25 25 CYS H H 1 7.898 0.017 . 1 . . . . A 6 CYS H . 34149 1 150 . 1 1 25 25 CYS HA H 1 5.1 0.01 . 1 . . . . A 6 CYS HA . 34149 1 151 . 1 1 25 25 CYS HB2 H 1 2.512 0.021 . 2 . . . . A 6 CYS HB2 . 34149 1 152 . 1 1 25 25 CYS HB3 H 1 2.611 0.026 . 2 . . . . A 6 CYS HB3 . 34149 1 153 . 1 1 25 25 CYS CA C 13 55.386 0.037 . 1 . . . . A 6 CYS CA . 34149 1 154 . 1 1 25 25 CYS CB C 13 30.289 0.053 . 1 . . . . A 6 CYS CB . 34149 1 155 . 1 1 25 25 CYS N N 15 120.831 0.093 . 1 . . . . A 6 CYS N . 34149 1 156 . 1 1 26 26 CYS H H 1 8.93 0.013 . 1 . . . . A 7 CYS H . 34149 1 157 . 1 1 26 26 CYS HA H 1 4.368 0.011 . 1 . . . . A 7 CYS HA . 34149 1 158 . 1 1 26 26 CYS HB2 H 1 3.055 0.024 . 2 . . . . A 7 CYS HB2 . 34149 1 159 . 1 1 26 26 CYS HB3 H 1 3.473 0.013 . 2 . . . . A 7 CYS HB3 . 34149 1 160 . 1 1 26 26 CYS CA C 13 59.779 0.057 . 1 . . . . A 7 CYS CA . 34149 1 161 . 1 1 26 26 CYS CB C 13 31.168 0.062 . 1 . . . . A 7 CYS CB . 34149 1 162 . 1 1 26 26 CYS N N 15 123.59 0.048 . 1 . . . . A 7 CYS N . 34149 1 163 . 1 1 27 27 ALA H H 1 9.484 0.021 . 1 . . . . A 8 ALA H . 34149 1 164 . 1 1 27 27 ALA HA H 1 4.187 0.018 . 1 . . . . A 8 ALA HA . 34149 1 165 . 1 1 27 27 ALA HB1 H 1 1.433 0.013 . 1 . . . . A 8 ALA HB1 . 34149 1 166 . 1 1 27 27 ALA HB2 H 1 1.433 0.013 . 1 . . . . A 8 ALA HB2 . 34149 1 167 . 1 1 27 27 ALA HB3 H 1 1.433 0.013 . 1 . . . . A 8 ALA HB3 . 34149 1 168 . 1 1 27 27 ALA CA C 13 54.898 0.035 . 1 . . . . A 8 ALA CA . 34149 1 169 . 1 1 27 27 ALA CB C 13 18.821 0.063 . 1 . . . . A 8 ALA CB . 34149 1 170 . 1 1 27 27 ALA N N 15 132.556 0.081 . 1 . . . . A 8 ALA N . 34149 1 171 . 1 1 28 28 ASN H H 1 9.106 0.01 . 1 . . . . A 9 ASN H . 34149 1 172 . 1 1 28 28 ASN HA H 1 5.004 0.013 . 1 . . . . A 9 ASN HA . 34149 1 173 . 1 1 28 28 ASN HB2 H 1 3.489 0.014 . 2 . . . . A 9 ASN HB2 . 34149 1 174 . 1 1 28 28 ASN HB3 H 1 2.672 0.016 . 2 . . . . A 9 ASN HB3 . 34149 1 175 . 1 1 28 28 ASN HD21 H 1 7.76 0.037 . 1 . . . . A 9 ASN HD21 . 34149 1 176 . 1 1 28 28 ASN HD22 H 1 8.899 0.039 . 1 . . . . A 9 ASN HD22 . 34149 1 177 . 1 1 28 28 ASN CA C 13 55.746 0.054 . 1 . . . . A 9 ASN CA . 34149 1 178 . 1 1 28 28 ASN CB C 13 39.928 0.041 . 1 . . . . A 9 ASN CB . 34149 1 179 . 1 1 28 28 ASN N N 15 116.245 0.13 . 1 . . . . A 9 ASN N . 34149 1 180 . 1 1 28 28 ASN ND2 N 15 119.475 0.036 . 1 . . . . A 9 ASN ND2 . 34149 1 181 . 1 1 29 29 CYS H H 1 8.794 0.015 . 1 . . . . A 10 CYS H . 34149 1 182 . 1 1 29 29 CYS HA H 1 4.932 0.019 . 1 . . . . A 10 CYS HA . 34149 1 183 . 1 1 29 29 CYS HB2 H 1 3.281 0.016 . 2 . . . . A 10 CYS HB2 . 34149 1 184 . 1 1 29 29 CYS HB3 H 1 2.434 0.006 . 2 . . . . A 10 CYS HB3 . 34149 1 185 . 1 1 29 29 CYS CA C 13 59.205 0.053 . 1 . . . . A 10 CYS CA . 34149 1 186 . 1 1 29 29 CYS CB C 13 33.634 0.07 . 1 . . . . A 10 CYS CB . 34149 1 187 . 1 1 29 29 CYS N N 15 118.018 0.071 . 1 . . . . A 10 CYS N . 34149 1 188 . 1 1 30 30 GLN H H 1 8.036 0.015 . 1 . . . . A 11 GLN H . 34149 1 189 . 1 1 30 30 GLN HA H 1 4.372 0.012 . 1 . . . . A 11 GLN HA . 34149 1 190 . 1 1 30 30 GLN HB2 H 1 2.335 0.025 . 2 . . . . A 11 GLN HB2 . 34149 1 191 . 1 1 30 30 GLN HB3 H 1 2.466 0.02 . 2 . . . . A 11 GLN HB3 . 34149 1 192 . 1 1 30 30 GLN HG2 H 1 2.474 0 . 2 . . . . A 11 GLN HG2 . 34149 1 193 . 1 1 30 30 GLN HG3 H 1 2.291 0.015 . 2 . . . . A 11 GLN HG3 . 34149 1 194 . 1 1 30 30 GLN HE21 H 1 6.905 0.016 . 1 . . . . A 11 GLN HE21 . 34149 1 195 . 1 1 30 30 GLN HE22 H 1 7.55 0.014 . 1 . . . . A 11 GLN HE22 . 34149 1 196 . 1 1 30 30 GLN CA C 13 58.221 0.051 . 1 . . . . A 11 GLN CA . 34149 1 197 . 1 1 30 30 GLN CB C 13 25.956 0.029 . 1 . . . . A 11 GLN CB . 34149 1 198 . 1 1 30 30 GLN CG C 13 33.634 0.055 . 1 . . . . A 11 GLN CG . 34149 1 199 . 1 1 30 30 GLN N N 15 115.378 0.048 . 1 . . . . A 11 GLN N . 34149 1 200 . 1 1 30 30 GLN NE2 N 15 112.238 0.165 . 1 . . . . A 11 GLN NE2 . 34149 1 201 . 1 1 31 31 THR H H 1 8.589 0.01 . 1 . . . . A 12 THR H . 34149 1 202 . 1 1 31 31 THR HA H 1 4.597 0.016 . 1 . . . . A 12 THR HA . 34149 1 203 . 1 1 31 31 THR HB H 1 4.605 0.01 . 1 . . . . A 12 THR HB . 34149 1 204 . 1 1 31 31 THR HG21 H 1 1.186 0.011 . 1 . . . . A 12 THR HG21 . 34149 1 205 . 1 1 31 31 THR HG22 H 1 1.186 0.011 . 1 . . . . A 12 THR HG22 . 34149 1 206 . 1 1 31 31 THR HG23 H 1 1.186 0.011 . 1 . . . . A 12 THR HG23 . 34149 1 207 . 1 1 31 31 THR CA C 13 63.341 0.059 . 1 . . . . A 12 THR CA . 34149 1 208 . 1 1 31 31 THR CB C 13 68.425 0.088 . 1 . . . . A 12 THR CB . 34149 1 209 . 1 1 31 31 THR CG2 C 13 22.077 0.03 . 1 . . . . A 12 THR CG2 . 34149 1 210 . 1 1 31 31 THR N N 15 116.357 0.052 . 1 . . . . A 12 THR N . 34149 1 211 . 1 1 32 32 THR H H 1 8.304 0.016 . 1 . . . . A 13 THR H . 34149 1 212 . 1 1 32 32 THR HA H 1 5.166 0.015 . 1 . . . . A 13 THR HA . 34149 1 213 . 1 1 32 32 THR HB H 1 4.736 0.008 . 1 . . . . A 13 THR HB . 34149 1 214 . 1 1 32 32 THR HG21 H 1 1.329 0.016 . 1 . . . . A 13 THR HG21 . 34149 1 215 . 1 1 32 32 THR HG22 H 1 1.329 0.016 . 1 . . . . A 13 THR HG22 . 34149 1 216 . 1 1 32 32 THR HG23 H 1 1.329 0.016 . 1 . . . . A 13 THR HG23 . 34149 1 217 . 1 1 32 32 THR CA C 13 61.211 0.05 . 1 . . . . A 13 THR CA . 34149 1 218 . 1 1 32 32 THR CB C 13 69.874 0.092 . 1 . . . . A 13 THR CB . 34149 1 219 . 1 1 32 32 THR CG2 C 13 21.725 0.05 . 1 . . . . A 13 THR CG2 . 34149 1 220 . 1 1 32 32 THR N N 15 112.628 0.101 . 1 . . . . A 13 THR N . 34149 1 221 . 1 1 33 33 THR H H 1 8.34 0.012 . 1 . . . . A 14 THR H . 34149 1 222 . 1 1 33 33 THR HA H 1 4.801 0.019 . 1 . . . . A 14 THR HA . 34149 1 223 . 1 1 33 33 THR HB H 1 3.991 0.013 . 1 . . . . A 14 THR HB . 34149 1 224 . 1 1 33 33 THR HG21 H 1 1.145 0.016 . 1 . . . . A 14 THR HG21 . 34149 1 225 . 1 1 33 33 THR HG22 H 1 1.145 0.016 . 1 . . . . A 14 THR HG22 . 34149 1 226 . 1 1 33 33 THR HG23 H 1 1.145 0.016 . 1 . . . . A 14 THR HG23 . 34149 1 227 . 1 1 33 33 THR CA C 13 60.29 0.07 . 1 . . . . A 14 THR CA . 34149 1 228 . 1 1 33 33 THR CB C 13 70.594 0.116 . 1 . . . . A 14 THR CB . 34149 1 229 . 1 1 33 33 THR CG2 C 13 20.765 0.066 . 1 . . . . A 14 THR CG2 . 34149 1 230 . 1 1 33 33 THR N N 15 117.865 0.035 . 1 . . . . A 14 THR N . 34149 1 231 . 1 1 34 34 THR H H 1 7.967 0.016 . 1 . . . . A 15 THR H . 34149 1 232 . 1 1 34 34 THR HA H 1 4.489 0.012 . 1 . . . . A 15 THR HA . 34149 1 233 . 1 1 34 34 THR HB H 1 3.706 0.013 . 1 . . . . A 15 THR HB . 34149 1 234 . 1 1 34 34 THR HG21 H 1 -0.835 0.015 . 1 . . . . A 15 THR HG21 . 34149 1 235 . 1 1 34 34 THR HG22 H 1 -0.835 0.015 . 1 . . . . A 15 THR HG22 . 34149 1 236 . 1 1 34 34 THR HG23 H 1 -0.835 0.015 . 1 . . . . A 15 THR HG23 . 34149 1 237 . 1 1 34 34 THR CA C 13 60.102 0.038 . 1 . . . . A 15 THR CA . 34149 1 238 . 1 1 34 34 THR CB C 13 67.495 0.065 . 1 . . . . A 15 THR CB . 34149 1 239 . 1 1 34 34 THR CG2 C 13 15.266 0.015 . 1 . . . . A 15 THR CG2 . 34149 1 240 . 1 1 34 34 THR N N 15 117.05 0.074 . 1 . . . . A 15 THR N . 34149 1 241 . 1 1 35 35 THR HA H 1 4.138 0.017 . 1 . . . . A 16 THR HA . 34149 1 242 . 1 1 35 35 THR HB H 1 4.162 0.018 . 1 . . . . A 16 THR HB . 34149 1 243 . 1 1 35 35 THR HG21 H 1 1.23 0.011 . 1 . . . . A 16 THR HG21 . 34149 1 244 . 1 1 35 35 THR HG22 H 1 1.23 0.011 . 1 . . . . A 16 THR HG22 . 34149 1 245 . 1 1 35 35 THR HG23 H 1 1.23 0.011 . 1 . . . . A 16 THR HG23 . 34149 1 246 . 1 1 35 35 THR CA C 13 62.775 0.058 . 1 . . . . A 16 THR CA . 34149 1 247 . 1 1 35 35 THR CB C 13 68.939 0.081 . 1 . . . . A 16 THR CB . 34149 1 248 . 1 1 35 35 THR CG2 C 13 22.311 0.022 . 1 . . . . A 16 THR CG2 . 34149 1 249 . 1 1 36 36 LEU H H 1 7.015 0.019 . 1 . . . . A 17 LEU H . 34149 1 250 . 1 1 36 36 LEU HA H 1 4.33 0.011 . 1 . . . . A 17 LEU HA . 34149 1 251 . 1 1 36 36 LEU HB2 H 1 1.443 0.012 . 1 . . . . A 17 LEU HB2 . 34149 1 252 . 1 1 36 36 LEU HG H 1 1.336 0.01 . 1 . . . . A 17 LEU HG . 34149 1 253 . 1 1 36 36 LEU HD11 H 1 0.919 0.01 . 2 . . . . A 17 LEU HD11 . 34149 1 254 . 1 1 36 36 LEU HD12 H 1 0.919 0.01 . 2 . . . . A 17 LEU HD12 . 34149 1 255 . 1 1 36 36 LEU HD13 H 1 0.919 0.01 . 2 . . . . A 17 LEU HD13 . 34149 1 256 . 1 1 36 36 LEU HD21 H 1 0.77 0.014 . 2 . . . . A 17 LEU HD21 . 34149 1 257 . 1 1 36 36 LEU HD22 H 1 0.77 0.014 . 2 . . . . A 17 LEU HD22 . 34149 1 258 . 1 1 36 36 LEU HD23 H 1 0.77 0.014 . 2 . . . . A 17 LEU HD23 . 34149 1 259 . 1 1 36 36 LEU CA C 13 55.215 0.092 . 1 . . . . A 17 LEU CA . 34149 1 260 . 1 1 36 36 LEU CB C 13 44.7 0.045 . 1 . . . . A 17 LEU CB . 34149 1 261 . 1 1 36 36 LEU CG C 13 26.913 0.051 . 1 . . . . A 17 LEU CG . 34149 1 262 . 1 1 36 36 LEU CD1 C 13 23.849 0.074 . 2 . . . . A 17 LEU CD1 . 34149 1 263 . 1 1 36 36 LEU CD2 C 13 25.308 0.046 . 2 . . . . A 17 LEU CD2 . 34149 1 264 . 1 1 36 36 LEU N N 15 123.047 0.064 . 1 . . . . A 17 LEU N . 34149 1 265 . 1 1 37 37 TRP H H 1 8.469 0.018 . 1 . . . . A 18 TRP H . 34149 1 266 . 1 1 37 37 TRP HA H 1 4.704 0.018 . 1 . . . . A 18 TRP HA . 34149 1 267 . 1 1 37 37 TRP HB2 H 1 3.144 0.021 . 2 . . . . A 18 TRP HB2 . 34149 1 268 . 1 1 37 37 TRP HB3 H 1 3.051 0.014 . 2 . . . . A 18 TRP HB3 . 34149 1 269 . 1 1 37 37 TRP HD1 H 1 7.23 0.012 . 1 . . . . A 18 TRP HD1 . 34149 1 270 . 1 1 37 37 TRP HE1 H 1 10.063 0.015 . 1 . . . . A 18 TRP HE1 . 34149 1 271 . 1 1 37 37 TRP HE3 H 1 7.29 0.01 . 1 . . . . A 18 TRP HE3 . 34149 1 272 . 1 1 37 37 TRP HZ2 H 1 7.076 0.014 . 1 . . . . A 18 TRP HZ2 . 34149 1 273 . 1 1 37 37 TRP HZ3 H 1 7.096 0.007 . 1 . . . . A 18 TRP HZ3 . 34149 1 274 . 1 1 37 37 TRP HH2 H 1 6.334 0.007 . 1 . . . . A 18 TRP HH2 . 34149 1 275 . 1 1 37 37 TRP CA C 13 56.931 0.039 . 1 . . . . A 18 TRP CA . 34149 1 276 . 1 1 37 37 TRP CB C 13 29.883 0.05 . 1 . . . . A 18 TRP CB . 34149 1 277 . 1 1 37 37 TRP CD1 C 13 127.047 0.058 . 1 . . . . A 18 TRP CD1 . 34149 1 278 . 1 1 37 37 TRP CE3 C 13 120.367 0.07 . 1 . . . . A 18 TRP CE3 . 34149 1 279 . 1 1 37 37 TRP CZ2 C 13 114.393 0.05 . 1 . . . . A 18 TRP CZ2 . 34149 1 280 . 1 1 37 37 TRP CZ3 C 13 123.779 0.06 . 1 . . . . A 18 TRP CZ3 . 34149 1 281 . 1 1 37 37 TRP CH2 C 13 119.447 0.069 . 1 . . . . A 18 TRP CH2 . 34149 1 282 . 1 1 37 37 TRP N N 15 124.037 0.044 . 1 . . . . A 18 TRP N . 34149 1 283 . 1 1 37 37 TRP NE1 N 15 127.929 0.081 . 1 . . . . A 18 TRP NE1 . 34149 1 284 . 1 1 38 38 ARG H H 1 9.225 0.022 . 1 . . . . A 19 ARG H . 34149 1 285 . 1 1 38 38 ARG HA H 1 4.687 0.018 . 1 . . . . A 19 ARG HA . 34149 1 286 . 1 1 38 38 ARG HB2 H 1 2.074 0.018 . 2 . . . . A 19 ARG HB2 . 34149 1 287 . 1 1 38 38 ARG HB3 H 1 1.382 0.013 . 2 . . . . A 19 ARG HB3 . 34149 1 288 . 1 1 38 38 ARG HG2 H 1 1.32 0.002 . 1 . . . . A 19 ARG HG2 . 34149 1 289 . 1 1 38 38 ARG HD2 H 1 2.854 0.006 . 2 . . . . A 19 ARG HD2 . 34149 1 290 . 1 1 38 38 ARG HD3 H 1 3.282 0.018 . 2 . . . . A 19 ARG HD3 . 34149 1 291 . 1 1 38 38 ARG CA C 13 54.502 0.085 . 1 . . . . A 19 ARG CA . 34149 1 292 . 1 1 38 38 ARG CB C 13 32.932 0.078 . 1 . . . . A 19 ARG CB . 34149 1 293 . 1 1 38 38 ARG CG C 13 27.069 0.044 . 1 . . . . A 19 ARG CG . 34149 1 294 . 1 1 38 38 ARG CD C 13 43.89 0.056 . 1 . . . . A 19 ARG CD . 34149 1 295 . 1 1 38 38 ARG N N 15 124.099 0.109 . 1 . . . . A 19 ARG N . 34149 1 296 . 1 1 39 39 ARG H H 1 8.445 0.027 . 1 . . . . A 20 ARG H . 34149 1 297 . 1 1 39 39 ARG HA H 1 5.316 0.012 . 1 . . . . A 20 ARG HA . 34149 1 298 . 1 1 39 39 ARG HB2 H 1 1.582 0.044 . 2 . . . . A 20 ARG HB2 . 34149 1 299 . 1 1 39 39 ARG HB3 H 1 1.651 0.014 . 2 . . . . A 20 ARG HB3 . 34149 1 300 . 1 1 39 39 ARG HG2 H 1 1.541 0.026 . 2 . . . . A 20 ARG HG2 . 34149 1 301 . 1 1 39 39 ARG HG3 H 1 1.477 0.001 . 2 . . . . A 20 ARG HG3 . 34149 1 302 . 1 1 39 39 ARG HD2 H 1 3.031 0.011 . 1 . . . . A 20 ARG HD2 . 34149 1 303 . 1 1 39 39 ARG CA C 13 54.498 0.046 . 1 . . . . A 20 ARG CA . 34149 1 304 . 1 1 39 39 ARG CB C 13 34.06 0.027 . 1 . . . . A 20 ARG CB . 34149 1 305 . 1 1 39 39 ARG CG C 13 26.893 0.043 . 1 . . . . A 20 ARG CG . 34149 1 306 . 1 1 39 39 ARG CD C 13 43.425 0.044 . 1 . . . . A 20 ARG CD . 34149 1 307 . 1 1 39 39 ARG N N 15 119.197 0.03 . 1 . . . . A 20 ARG N . 34149 1 308 . 1 1 40 40 ASN H H 1 8.839 0.023 . 1 . . . . A 21 ASN H . 34149 1 309 . 1 1 40 40 ASN HA H 1 4.721 0.017 . 1 . . . . A 21 ASN HA . 34149 1 310 . 1 1 40 40 ASN HB2 H 1 2.748 0.012 . 2 . . . . A 21 ASN HB2 . 34149 1 311 . 1 1 40 40 ASN HB3 H 1 3.312 0.014 . 2 . . . . A 21 ASN HB3 . 34149 1 312 . 1 1 40 40 ASN HD21 H 1 7.764 0.027 . 1 . . . . A 21 ASN HD21 . 34149 1 313 . 1 1 40 40 ASN HD22 H 1 7.891 0.014 . 1 . . . . A 21 ASN HD22 . 34149 1 314 . 1 1 40 40 ASN CA C 13 50.427 0.058 . 1 . . . . A 21 ASN CA . 34149 1 315 . 1 1 40 40 ASN CB C 13 38.756 0.052 . 1 . . . . A 21 ASN CB . 34149 1 316 . 1 1 40 40 ASN N N 15 121.107 0.056 . 1 . . . . A 21 ASN N . 34149 1 317 . 1 1 40 40 ASN ND2 N 15 111.884 0.095 . 1 . . . . A 21 ASN ND2 . 34149 1 318 . 1 1 41 41 ALA H H 1 8.338 0.015 . 1 . . . . A 22 ALA H . 34149 1 319 . 1 1 41 41 ALA HA H 1 4.056 0.012 . 1 . . . . A 22 ALA HA . 34149 1 320 . 1 1 41 41 ALA HB1 H 1 1.363 0.016 . 1 . . . . A 22 ALA HB1 . 34149 1 321 . 1 1 41 41 ALA HB2 H 1 1.363 0.016 . 1 . . . . A 22 ALA HB2 . 34149 1 322 . 1 1 41 41 ALA HB3 H 1 1.363 0.016 . 1 . . . . A 22 ALA HB3 . 34149 1 323 . 1 1 41 41 ALA CA C 13 54.764 0.039 . 1 . . . . A 22 ALA CA . 34149 1 324 . 1 1 41 41 ALA CB C 13 18.2 0.055 . 1 . . . . A 22 ALA CB . 34149 1 325 . 1 1 41 41 ALA N N 15 120.945 0.102 . 1 . . . . A 22 ALA N . 34149 1 326 . 1 1 42 42 ASN H H 1 7.562 0.012 . 1 . . . . A 23 ASN H . 34149 1 327 . 1 1 42 42 ASN HA H 1 4.735 0.029 . 1 . . . . A 23 ASN HA . 34149 1 328 . 1 1 42 42 ASN HB2 H 1 2.631 0.024 . 2 . . . . A 23 ASN HB2 . 34149 1 329 . 1 1 42 42 ASN HB3 H 1 2.882 0.018 . 2 . . . . A 23 ASN HB3 . 34149 1 330 . 1 1 42 42 ASN HD21 H 1 6.897 0.015 . 1 . . . . A 23 ASN HD21 . 34149 1 331 . 1 1 42 42 ASN HD22 H 1 8.031 0.02 . 1 . . . . A 23 ASN HD22 . 34149 1 332 . 1 1 42 42 ASN CA C 13 52.929 0.057 . 1 . . . . A 23 ASN CA . 34149 1 333 . 1 1 42 42 ASN CB C 13 39.227 0.05 . 1 . . . . A 23 ASN CB . 34149 1 334 . 1 1 42 42 ASN N N 15 113.512 0.036 . 1 . . . . A 23 ASN N . 34149 1 335 . 1 1 42 42 ASN ND2 N 15 114.162 0.14 . 1 . . . . A 23 ASN ND2 . 34149 1 336 . 1 1 43 43 GLY H H 1 8.177 0.013 . 1 . . . . A 24 GLY H . 34149 1 337 . 1 1 43 43 GLY HA2 H 1 4.305 0.012 . 2 . . . . A 24 GLY HA2 . 34149 1 338 . 1 1 43 43 GLY HA3 H 1 3.529 0.016 . 2 . . . . A 24 GLY HA3 . 34149 1 339 . 1 1 43 43 GLY CA C 13 44.857 0.051 . 1 . . . . A 24 GLY CA . 34149 1 340 . 1 1 43 43 GLY N N 15 106.682 0.074 . 1 . . . . A 24 GLY N . 34149 1 341 . 1 1 44 44 ASP H H 1 8.047 0.014 . 1 . . . . A 25 ASP H . 34149 1 342 . 1 1 44 44 ASP HA H 1 4.954 0.01 . 1 . . . . A 25 ASP HA . 34149 1 343 . 1 1 44 44 ASP HB2 H 1 2.676 0.005 . 2 . . . . A 25 ASP HB2 . 34149 1 344 . 1 1 44 44 ASP HB3 H 1 2.396 0.012 . 2 . . . . A 25 ASP HB3 . 34149 1 345 . 1 1 44 44 ASP CA C 13 52.617 0.059 . 1 . . . . A 25 ASP CA . 34149 1 346 . 1 1 44 44 ASP CB C 13 40.314 0.069 . 1 . . . . A 25 ASP CB . 34149 1 347 . 1 1 44 44 ASP N N 15 122.142 0.037 . 1 . . . . A 25 ASP N . 34149 1 348 . 1 1 45 45 PRO HA H 1 5.006 0.012 . 1 . . . . A 26 PRO HA . 34149 1 349 . 1 1 45 45 PRO HB2 H 1 1.6 0.013 . 2 . . . . A 26 PRO HB2 . 34149 1 350 . 1 1 45 45 PRO HB3 H 1 1.772 0.009 . 2 . . . . A 26 PRO HB3 . 34149 1 351 . 1 1 45 45 PRO HG2 H 1 2.145 0.013 . 2 . . . . A 26 PRO HG2 . 34149 1 352 . 1 1 45 45 PRO HG3 H 1 1.739 0.014 . 2 . . . . A 26 PRO HG3 . 34149 1 353 . 1 1 45 45 PRO HD2 H 1 3.763 0.032 . 2 . . . . A 26 PRO HD2 . 34149 1 354 . 1 1 45 45 PRO HD3 H 1 3.825 0.027 . 2 . . . . A 26 PRO HD3 . 34149 1 355 . 1 1 45 45 PRO CA C 13 62.732 0.066 . 1 . . . . A 26 PRO CA . 34149 1 356 . 1 1 45 45 PRO CB C 13 32.034 0.042 . 1 . . . . A 26 PRO CB . 34149 1 357 . 1 1 45 45 PRO CG C 13 27.542 0.056 . 1 . . . . A 26 PRO CG . 34149 1 358 . 1 1 45 45 PRO CD C 13 50.261 0.046 . 1 . . . . A 26 PRO CD . 34149 1 359 . 1 1 46 46 VAL H H 1 8.52 0.014 . 1 . . . . A 27 VAL H . 34149 1 360 . 1 1 46 46 VAL HA H 1 5.744 0.014 . 1 . . . . A 27 VAL HA . 34149 1 361 . 1 1 46 46 VAL HB H 1 2.245 0.012 . 1 . . . . A 27 VAL HB . 34149 1 362 . 1 1 46 46 VAL HG11 H 1 0.696 0.013 . 2 . . . . A 27 VAL HG11 . 34149 1 363 . 1 1 46 46 VAL HG12 H 1 0.696 0.013 . 2 . . . . A 27 VAL HG12 . 34149 1 364 . 1 1 46 46 VAL HG13 H 1 0.696 0.013 . 2 . . . . A 27 VAL HG13 . 34149 1 365 . 1 1 46 46 VAL HG21 H 1 1.111 0.019 . 2 . . . . A 27 VAL HG21 . 34149 1 366 . 1 1 46 46 VAL HG22 H 1 1.111 0.019 . 2 . . . . A 27 VAL HG22 . 34149 1 367 . 1 1 46 46 VAL HG23 H 1 1.111 0.019 . 2 . . . . A 27 VAL HG23 . 34149 1 368 . 1 1 46 46 VAL CA C 13 58.648 0.067 . 1 . . . . A 27 VAL CA . 34149 1 369 . 1 1 46 46 VAL CB C 13 36.877 0.06 . 1 . . . . A 27 VAL CB . 34149 1 370 . 1 1 46 46 VAL CG1 C 13 19 0.045 . 2 . . . . A 27 VAL CG1 . 34149 1 371 . 1 1 46 46 VAL CG2 C 13 23.49 0.035 . 2 . . . . A 27 VAL CG2 . 34149 1 372 . 1 1 46 46 VAL N N 15 114.154 0.164 . 1 . . . . A 27 VAL N . 34149 1 373 . 1 1 47 47 CYS H H 1 9.852 0.015 . 1 . . . . A 28 CYS H . 34149 1 374 . 1 1 47 47 CYS HA H 1 4.251 0.015 . 1 . . . . A 28 CYS HA . 34149 1 375 . 1 1 47 47 CYS HB2 H 1 3.036 0.025 . 2 . . . . A 28 CYS HB2 . 34149 1 376 . 1 1 47 47 CYS HB3 H 1 2.497 0.01 . 2 . . . . A 28 CYS HB3 . 34149 1 377 . 1 1 47 47 CYS CA C 13 57.957 0.071 . 1 . . . . A 28 CYS CA . 34149 1 378 . 1 1 47 47 CYS CB C 13 31.103 0.061 . 1 . . . . A 28 CYS CB . 34149 1 379 . 1 1 47 47 CYS N N 15 121.504 0.171 . 1 . . . . A 28 CYS N . 34149 1 380 . 1 1 48 48 ASN H H 1 7.93 0.01 . 1 . . . . A 29 ASN H . 34149 1 381 . 1 1 48 48 ASN HA H 1 4.082 0.012 . 1 . . . . A 29 ASN HA . 34149 1 382 . 1 1 48 48 ASN HB2 H 1 2.77 0.017 . 2 . . . . A 29 ASN HB2 . 34149 1 383 . 1 1 48 48 ASN HB3 H 1 3.241 0.015 . 2 . . . . A 29 ASN HB3 . 34149 1 384 . 1 1 48 48 ASN HD21 H 1 6.99 0.008 . 1 . . . . A 29 ASN HD21 . 34149 1 385 . 1 1 48 48 ASN HD22 H 1 7.64 0.019 . 1 . . . . A 29 ASN HD22 . 34149 1 386 . 1 1 48 48 ASN CA C 13 57.762 0.077 . 1 . . . . A 29 ASN CA . 34149 1 387 . 1 1 48 48 ASN CB C 13 39.518 0.049 . 1 . . . . A 29 ASN CB . 34149 1 388 . 1 1 48 48 ASN N N 15 118.575 0.043 . 1 . . . . A 29 ASN N . 34149 1 389 . 1 1 48 48 ASN ND2 N 15 114.512 0.047 . 1 . . . . A 29 ASN ND2 . 34149 1 390 . 1 1 49 49 ALA H H 1 8.276 0.018 . 1 . . . . A 30 ALA H . 34149 1 391 . 1 1 49 49 ALA HA H 1 4.151 0.01 . 1 . . . . A 30 ALA HA . 34149 1 392 . 1 1 49 49 ALA HB1 H 1 1.535 0.022 . 1 . . . . A 30 ALA HB1 . 34149 1 393 . 1 1 49 49 ALA HB2 H 1 1.535 0.022 . 1 . . . . A 30 ALA HB2 . 34149 1 394 . 1 1 49 49 ALA HB3 H 1 1.535 0.022 . 1 . . . . A 30 ALA HB3 . 34149 1 395 . 1 1 49 49 ALA CA C 13 55.639 0.067 . 1 . . . . A 30 ALA CA . 34149 1 396 . 1 1 49 49 ALA CB C 13 18.464 0.051 . 1 . . . . A 30 ALA CB . 34149 1 397 . 1 1 49 49 ALA N N 15 119.026 0.089 . 1 . . . . A 30 ALA N . 34149 1 398 . 1 1 50 50 CYS H H 1 9.4 0.022 . 1 . . . . A 31 CYS H . 34149 1 399 . 1 1 50 50 CYS HA H 1 4.051 0.013 . 1 . . . . A 31 CYS HA . 34149 1 400 . 1 1 50 50 CYS HB2 H 1 3.178 0.023 . 2 . . . . A 31 CYS HB2 . 34149 1 401 . 1 1 50 50 CYS HB3 H 1 3.308 0.018 . 2 . . . . A 31 CYS HB3 . 34149 1 402 . 1 1 50 50 CYS CA C 13 65.596 0.042 . 1 . . . . A 31 CYS CA . 34149 1 403 . 1 1 50 50 CYS CB C 13 29.043 0.055 . 1 . . . . A 31 CYS CB . 34149 1 404 . 1 1 50 50 CYS N N 15 122.152 0.071 . 1 . . . . A 31 CYS N . 34149 1 405 . 1 1 51 51 GLY H H 1 9.448 0.022 . 1 . . . . A 32 GLY H . 34149 1 406 . 1 1 51 51 GLY HA2 H 1 4.028 0.015 . 2 . . . . A 32 GLY HA2 . 34149 1 407 . 1 1 51 51 GLY HA3 H 1 3.567 0.014 . 2 . . . . A 32 GLY HA3 . 34149 1 408 . 1 1 51 51 GLY CA C 13 47.622 0.052 . 1 . . . . A 32 GLY CA . 34149 1 409 . 1 1 51 51 GLY N N 15 109.868 0.075 . 1 . . . . A 32 GLY N . 34149 1 410 . 1 1 52 52 LEU H H 1 8.888 0.027 . 1 . . . . A 33 LEU H . 34149 1 411 . 1 1 52 52 LEU HA H 1 4.106 0.011 . 1 . . . . A 33 LEU HA . 34149 1 412 . 1 1 52 52 LEU HB2 H 1 1.516 0.03 . 2 . . . . A 33 LEU HB2 . 34149 1 413 . 1 1 52 52 LEU HB3 H 1 1.792 0.021 . 2 . . . . A 33 LEU HB3 . 34149 1 414 . 1 1 52 52 LEU HG H 1 1.693 0.017 . 1 . . . . A 33 LEU HG . 34149 1 415 . 1 1 52 52 LEU HD11 H 1 0.855 0.016 . 1 . . . . A 33 LEU HD11 . 34149 1 416 . 1 1 52 52 LEU HD12 H 1 0.855 0.016 . 1 . . . . A 33 LEU HD12 . 34149 1 417 . 1 1 52 52 LEU HD13 H 1 0.855 0.016 . 1 . . . . A 33 LEU HD13 . 34149 1 418 . 1 1 52 52 LEU CA C 13 57.896 0.046 . 1 . . . . A 33 LEU CA . 34149 1 419 . 1 1 52 52 LEU CB C 13 41.825 0.067 . 1 . . . . A 33 LEU CB . 34149 1 420 . 1 1 52 52 LEU CG C 13 26.911 0.073 . 1 . . . . A 33 LEU CG . 34149 1 421 . 1 1 52 52 LEU CD1 C 13 24.965 0.053 . 1 . . . . A 33 LEU CD1 . 34149 1 422 . 1 1 52 52 LEU N N 15 123.776 0.076 . 1 . . . . A 33 LEU N . 34149 1 423 . 1 1 53 53 TYR H H 1 7.925 0.019 . 1 . . . . A 34 TYR H . 34149 1 424 . 1 1 53 53 TYR HA H 1 4.105 0.012 . 1 . . . . A 34 TYR HA . 34149 1 425 . 1 1 53 53 TYR HB2 H 1 3.251 0.016 . 1 . . . . A 34 TYR HB2 . 34149 1 426 . 1 1 53 53 TYR HD1 H 1 7.319 0.009 . 1 . . . . A 34 TYR HD1 . 34149 1 427 . 1 1 53 53 TYR HD2 H 1 7.319 0.009 . 1 . . . . A 34 TYR HD2 . 34149 1 428 . 1 1 53 53 TYR HE1 H 1 6.576 0.007 . 1 . . . . A 34 TYR HE1 . 34149 1 429 . 1 1 53 53 TYR HE2 H 1 6.576 0.007 . 1 . . . . A 34 TYR HE2 . 34149 1 430 . 1 1 53 53 TYR CA C 13 62.272 0.067 . 1 . . . . A 34 TYR CA . 34149 1 431 . 1 1 53 53 TYR CB C 13 39.708 0.056 . 1 . . . . A 34 TYR CB . 34149 1 432 . 1 1 53 53 TYR CD1 C 13 133.909 0.048 . 1 . . . . A 34 TYR CD1 . 34149 1 433 . 1 1 53 53 TYR CD2 C 13 133.909 0.048 . 1 . . . . A 34 TYR CD2 . 34149 1 434 . 1 1 53 53 TYR CE1 C 13 118.499 0.039 . 1 . . . . A 34 TYR CE1 . 34149 1 435 . 1 1 53 53 TYR CE2 C 13 118.499 0.039 . 1 . . . . A 34 TYR CE2 . 34149 1 436 . 1 1 53 53 TYR N N 15 119.121 0.11 . 1 . . . . A 34 TYR N . 34149 1 437 . 1 1 54 54 TYR H H 1 8.151 0.011 . 1 . . . . A 35 TYR H . 34149 1 438 . 1 1 54 54 TYR HA H 1 4.39 0.014 . 1 . . . . A 35 TYR HA . 34149 1 439 . 1 1 54 54 TYR HB2 H 1 3.211 0.023 . 1 . . . . A 35 TYR HB2 . 34149 1 440 . 1 1 54 54 TYR HD1 H 1 6.899 0.008 . 1 . . . . A 35 TYR HD1 . 34149 1 441 . 1 1 54 54 TYR HD2 H 1 6.899 0.008 . 1 . . . . A 35 TYR HD2 . 34149 1 442 . 1 1 54 54 TYR HE1 H 1 6.709 0.008 . 1 . . . . A 35 TYR HE1 . 34149 1 443 . 1 1 54 54 TYR HE2 H 1 6.709 0.008 . 1 . . . . A 35 TYR HE2 . 34149 1 444 . 1 1 54 54 TYR CA C 13 61.399 0.071 . 1 . . . . A 35 TYR CA . 34149 1 445 . 1 1 54 54 TYR CB C 13 38.784 0.051 . 1 . . . . A 35 TYR CB . 34149 1 446 . 1 1 54 54 TYR CD1 C 13 133.343 0.069 . 1 . . . . A 35 TYR CD1 . 34149 1 447 . 1 1 54 54 TYR CD2 C 13 133.343 0.069 . 1 . . . . A 35 TYR CD2 . 34149 1 448 . 1 1 54 54 TYR CE1 C 13 117.664 0.065 . 1 . . . . A 35 TYR CE1 . 34149 1 449 . 1 1 54 54 TYR CE2 C 13 117.664 0.065 . 1 . . . . A 35 TYR CE2 . 34149 1 450 . 1 1 54 54 TYR N N 15 118.523 0.145 . 1 . . . . A 35 TYR N . 34149 1 451 . 1 1 55 55 LYS H H 1 8.001 0.015 . 1 . . . . A 36 LYS H . 34149 1 452 . 1 1 55 55 LYS HA H 1 4.007 0.012 . 1 . . . . A 36 LYS HA . 34149 1 453 . 1 1 55 55 LYS HB2 H 1 2.007 0.008 . 1 . . . . A 36 LYS HB2 . 34149 1 454 . 1 1 55 55 LYS HG2 H 1 1.466 0.01 . 2 . . . . A 36 LYS HG2 . 34149 1 455 . 1 1 55 55 LYS HG3 H 1 1.57 0.011 . 2 . . . . A 36 LYS HG3 . 34149 1 456 . 1 1 55 55 LYS HD2 H 1 1.693 0.015 . 2 . . . . A 36 LYS HD2 . 34149 1 457 . 1 1 55 55 LYS HD3 H 1 1.733 0.002 . 2 . . . . A 36 LYS HD3 . 34149 1 458 . 1 1 55 55 LYS HE2 H 1 3.016 0.009 . 1 . . . . A 36 LYS HE2 . 34149 1 459 . 1 1 55 55 LYS CA C 13 59.016 0.079 . 1 . . . . A 36 LYS CA . 34149 1 460 . 1 1 55 55 LYS CB C 13 32.276 0.104 . 1 . . . . A 36 LYS CB . 34149 1 461 . 1 1 55 55 LYS CG C 13 24.792 0.061 . 1 . . . . A 36 LYS CG . 34149 1 462 . 1 1 55 55 LYS CD C 13 29.228 0.052 . 1 . . . . A 36 LYS CD . 34149 1 463 . 1 1 55 55 LYS CE C 13 41.964 0.004 . 1 . . . . A 36 LYS CE . 34149 1 464 . 1 1 55 55 LYS N N 15 119.583 0.053 . 1 . . . . A 36 LYS N . 34149 1 465 . 1 1 56 56 LEU H H 1 7.578 0.03 . 1 . . . . A 37 LEU H . 34149 1 466 . 1 1 56 56 LEU HA H 1 4.021 0.014 . 1 . . . . A 37 LEU HA . 34149 1 467 . 1 1 56 56 LEU HB2 H 1 1.273 0.013 . 2 . . . . A 37 LEU HB2 . 34149 1 468 . 1 1 56 56 LEU HB3 H 1 0.842 0.011 . 2 . . . . A 37 LEU HB3 . 34149 1 469 . 1 1 56 56 LEU HG H 1 1.1 0.012 . 1 . . . . A 37 LEU HG . 34149 1 470 . 1 1 56 56 LEU HD11 H 1 0.643 0.018 . 2 . . . . A 37 LEU HD11 . 34149 1 471 . 1 1 56 56 LEU HD12 H 1 0.643 0.018 . 2 . . . . A 37 LEU HD12 . 34149 1 472 . 1 1 56 56 LEU HD13 H 1 0.643 0.018 . 2 . . . . A 37 LEU HD13 . 34149 1 473 . 1 1 56 56 LEU HD21 H 1 0.696 0.02 . 2 . . . . A 37 LEU HD21 . 34149 1 474 . 1 1 56 56 LEU HD22 H 1 0.696 0.02 . 2 . . . . A 37 LEU HD22 . 34149 1 475 . 1 1 56 56 LEU HD23 H 1 0.696 0.02 . 2 . . . . A 37 LEU HD23 . 34149 1 476 . 1 1 56 56 LEU CA C 13 56.643 0.061 . 1 . . . . A 37 LEU CA . 34149 1 477 . 1 1 56 56 LEU CB C 13 42.569 0.042 . 1 . . . . A 37 LEU CB . 34149 1 478 . 1 1 56 56 LEU CG C 13 26.566 0.072 . 1 . . . . A 37 LEU CG . 34149 1 479 . 1 1 56 56 LEU N N 15 116.287 0.096 . 1 . . . . A 37 LEU N . 34149 1 480 . 1 1 57 57 HIS H H 1 8.184 0.015 . 1 . . . . A 38 HIS H . 34149 1 481 . 1 1 57 57 HIS HA H 1 4.573 0.009 . 1 . . . . A 38 HIS HA . 34149 1 482 . 1 1 57 57 HIS HB2 H 1 3.002 0.013 . 2 . . . . A 38 HIS HB2 . 34149 1 483 . 1 1 57 57 HIS HB3 H 1 2.538 0.035 . 2 . . . . A 38 HIS HB3 . 34149 1 484 . 1 1 57 57 HIS HD2 H 1 5.488 0.014 . 1 . . . . A 38 HIS HD2 . 34149 1 485 . 1 1 57 57 HIS HE1 H 1 7.884 0.012 . 1 . . . . A 38 HIS HE1 . 34149 1 486 . 1 1 57 57 HIS CA C 13 56.539 0.109 . 1 . . . . A 38 HIS CA . 34149 1 487 . 1 1 57 57 HIS CB C 13 31.808 0.17 . 1 . . . . A 38 HIS CB . 34149 1 488 . 1 1 57 57 HIS CD2 C 13 120.552 0.049 . 1 . . . . A 38 HIS CD2 . 34149 1 489 . 1 1 57 57 HIS CE1 C 13 137.552 0 . 1 . . . . A 38 HIS CE1 . 34149 1 490 . 1 1 57 57 HIS N N 15 113.53 0.139 . 1 . . . . A 38 HIS N . 34149 1 491 . 1 1 58 58 ASN H H 1 8.909 0.014 . 1 . . . . A 39 ASN H . 34149 1 492 . 1 1 58 58 ASN HA H 1 3.445 0.016 . 1 . . . . A 39 ASN HA . 34149 1 493 . 1 1 58 58 ASN HB2 H 1 3.015 0.018 . 2 . . . . A 39 ASN HB2 . 34149 1 494 . 1 1 58 58 ASN HB3 H 1 2.624 0.027 . 2 . . . . A 39 ASN HB3 . 34149 1 495 . 1 1 58 58 ASN HD21 H 1 6.784 0.021 . 1 . . . . A 39 ASN HD21 . 34149 1 496 . 1 1 58 58 ASN HD22 H 1 7.415 0.012 . 1 . . . . A 39 ASN HD22 . 34149 1 497 . 1 1 58 58 ASN CA C 13 54.38 0.06 . 1 . . . . A 39 ASN CA . 34149 1 498 . 1 1 58 58 ASN CB C 13 38.188 0.055 . 1 . . . . A 39 ASN CB . 34149 1 499 . 1 1 58 58 ASN N N 15 116.949 0.17 . 1 . . . . A 39 ASN N . 34149 1 500 . 1 1 58 58 ASN ND2 N 15 111.775 0.089 . 1 . . . . A 39 ASN ND2 . 34149 1 501 . 1 1 59 59 VAL H H 1 7.058 0.018 . 1 . . . . A 40 VAL H . 34149 1 502 . 1 1 59 59 VAL HA H 1 4.417 0.011 . 1 . . . . A 40 VAL HA . 34149 1 503 . 1 1 59 59 VAL HB H 1 2.21 0.009 . 1 . . . . A 40 VAL HB . 34149 1 504 . 1 1 59 59 VAL HG11 H 1 0.934 0.015 . 2 . . . . A 40 VAL HG11 . 34149 1 505 . 1 1 59 59 VAL HG12 H 1 0.934 0.015 . 2 . . . . A 40 VAL HG12 . 34149 1 506 . 1 1 59 59 VAL HG13 H 1 0.934 0.015 . 2 . . . . A 40 VAL HG13 . 34149 1 507 . 1 1 59 59 VAL HG21 H 1 0.996 0.013 . 2 . . . . A 40 VAL HG21 . 34149 1 508 . 1 1 59 59 VAL HG22 H 1 0.996 0.013 . 2 . . . . A 40 VAL HG22 . 34149 1 509 . 1 1 59 59 VAL HG23 H 1 0.996 0.013 . 2 . . . . A 40 VAL HG23 . 34149 1 510 . 1 1 59 59 VAL CA C 13 59.479 0.037 . 1 . . . . A 40 VAL CA . 34149 1 511 . 1 1 59 59 VAL CB C 13 35.826 0.076 . 1 . . . . A 40 VAL CB . 34149 1 512 . 1 1 59 59 VAL CG1 C 13 19.742 0.048 . 2 . . . . A 40 VAL CG1 . 34149 1 513 . 1 1 59 59 VAL CG2 C 13 21.847 0.048 . 2 . . . . A 40 VAL CG2 . 34149 1 514 . 1 1 59 59 VAL N N 15 110.016 0.204 . 1 . . . . A 40 VAL N . 34149 1 515 . 1 1 60 60 ASN H H 1 8.48 0.013 . 1 . . . . A 41 ASN H . 34149 1 516 . 1 1 60 60 ASN HA H 1 5.012 0.014 . 1 . . . . A 41 ASN HA . 34149 1 517 . 1 1 60 60 ASN HB2 H 1 2.67 0.024 . 2 . . . . A 41 ASN HB2 . 34149 1 518 . 1 1 60 60 ASN HB3 H 1 2.231 0.002 . 2 . . . . A 41 ASN HB3 . 34149 1 519 . 1 1 60 60 ASN HD21 H 1 7.722 0.02 . 1 . . . . A 41 ASN HD21 . 34149 1 520 . 1 1 60 60 ASN HD22 H 1 6.922 0.007 . 1 . . . . A 41 ASN HD22 . 34149 1 521 . 1 1 60 60 ASN CA C 13 53.099 0.068 . 1 . . . . A 41 ASN CA . 34149 1 522 . 1 1 60 60 ASN CB C 13 38.999 0.062 . 1 . . . . A 41 ASN CB . 34149 1 523 . 1 1 60 60 ASN N N 15 117.95 0.081 . 1 . . . . A 41 ASN N . 34149 1 524 . 1 1 60 60 ASN ND2 N 15 113.847 0.044 . 1 . . . . A 41 ASN ND2 . 34149 1 525 . 1 1 61 61 ARG H H 1 9.259 0.019 . 1 . . . . A 42 ARG H . 34149 1 526 . 1 1 61 61 ARG HA H 1 3.158 0.006 . 1 . . . . A 42 ARG HA . 34149 1 527 . 1 1 61 61 ARG HB2 H 1 1.166 0.02 . 2 . . . . A 42 ARG HB2 . 34149 1 528 . 1 1 61 61 ARG HB3 H 1 1.668 0.013 . 2 . . . . A 42 ARG HB3 . 34149 1 529 . 1 1 61 61 ARG CA C 13 54.714 0.033 . 1 . . . . A 42 ARG CA . 34149 1 530 . 1 1 61 61 ARG CB C 13 32.874 0.028 . 1 . . . . A 42 ARG CB . 34149 1 531 . 1 1 61 61 ARG N N 15 123.251 0.113 . 1 . . . . A 42 ARG N . 34149 1 532 . 1 1 62 62 PRO HA H 1 4.372 0.029 . 1 . . . . A 43 PRO HA . 34149 1 533 . 1 1 62 62 PRO HB2 H 1 2.221 0.019 . 1 . . . . A 43 PRO HB2 . 34149 1 534 . 1 1 62 62 PRO HB3 H 1 1.668 0.016 . 1 . . . . A 43 PRO HB3 . 34149 1 535 . 1 1 62 62 PRO HG2 H 1 1.902 0.008 . 1 . . . . A 43 PRO HG2 . 34149 1 536 . 1 1 62 62 PRO HD2 H 1 3.646 0.012 . 2 . . . . A 43 PRO HD2 . 34149 1 537 . 1 1 62 62 PRO HD3 H 1 2.952 0.011 . 2 . . . . A 43 PRO HD3 . 34149 1 538 . 1 1 62 62 PRO CA C 13 62.452 0.017 . 1 . . . . A 43 PRO CA . 34149 1 539 . 1 1 62 62 PRO CB C 13 32.139 0.049 . 1 . . . . A 43 PRO CB . 34149 1 540 . 1 1 62 62 PRO CG C 13 27.212 0.019 . 1 . . . . A 43 PRO CG . 34149 1 541 . 1 1 62 62 PRO CD C 13 51.903 0.061 . 1 . . . . A 43 PRO CD . 34149 1 542 . 1 1 63 63 LEU H H 1 8.492 0.022 . 1 . . . . A 44 LEU H . 34149 1 543 . 1 1 63 63 LEU HA H 1 4.343 0.014 . 1 . . . . A 44 LEU HA . 34149 1 544 . 1 1 63 63 LEU HB2 H 1 1.505 0.041 . 2 . . . . A 44 LEU HB2 . 34149 1 545 . 1 1 63 63 LEU HB3 H 1 1.639 0.009 . 2 . . . . A 44 LEU HB3 . 34149 1 546 . 1 1 63 63 LEU HG H 1 1.526 0.029 . 1 . . . . A 44 LEU HG . 34149 1 547 . 1 1 63 63 LEU HD11 H 1 0.794 0.017 . 2 . . . . A 44 LEU HD11 . 34149 1 548 . 1 1 63 63 LEU HD12 H 1 0.794 0.017 . 2 . . . . A 44 LEU HD12 . 34149 1 549 . 1 1 63 63 LEU HD13 H 1 0.794 0.017 . 2 . . . . A 44 LEU HD13 . 34149 1 550 . 1 1 63 63 LEU HD21 H 1 0.859 0.02 . 2 . . . . A 44 LEU HD21 . 34149 1 551 . 1 1 63 63 LEU HD22 H 1 0.859 0.02 . 2 . . . . A 44 LEU HD22 . 34149 1 552 . 1 1 63 63 LEU HD23 H 1 0.859 0.02 . 2 . . . . A 44 LEU HD23 . 34149 1 553 . 1 1 63 63 LEU CA C 13 54.652 0.057 . 1 . . . . A 44 LEU CA . 34149 1 554 . 1 1 63 63 LEU CB C 13 41.764 0.079 . 1 . . . . A 44 LEU CB . 34149 1 555 . 1 1 63 63 LEU CG C 13 26.842 0.035 . 1 . . . . A 44 LEU CG . 34149 1 556 . 1 1 63 63 LEU CD1 C 13 23.349 0.047 . 2 . . . . A 44 LEU CD1 . 34149 1 557 . 1 1 63 63 LEU CD2 C 13 23.045 0.056 . 2 . . . . A 44 LEU CD2 . 34149 1 558 . 1 1 63 63 LEU N N 15 122.053 0.034 . 1 . . . . A 44 LEU N . 34149 1 559 . 1 1 64 64 THR H H 1 7.946 0.018 . 1 . . . . A 45 THR H . 34149 1 560 . 1 1 64 64 THR HA H 1 4.288 0.01 . 1 . . . . A 45 THR HA . 34149 1 561 . 1 1 64 64 THR HB H 1 4.185 0.019 . 1 . . . . A 45 THR HB . 34149 1 562 . 1 1 64 64 THR HG21 H 1 1.16 0.015 . 1 . . . . A 45 THR HG21 . 34149 1 563 . 1 1 64 64 THR HG22 H 1 1.16 0.015 . 1 . . . . A 45 THR HG22 . 34149 1 564 . 1 1 64 64 THR HG23 H 1 1.16 0.015 . 1 . . . . A 45 THR HG23 . 34149 1 565 . 1 1 64 64 THR CA C 13 61.381 0.034 . 1 . . . . A 45 THR CA . 34149 1 566 . 1 1 64 64 THR CB C 13 69.63 0.094 . 1 . . . . A 45 THR CB . 34149 1 567 . 1 1 64 64 THR CG2 C 13 21.58 0.041 . 1 . . . . A 45 THR CG2 . 34149 1 568 . 1 1 64 64 THR N N 15 113.145 0.048 . 1 . . . . A 45 THR N . 34149 1 569 . 1 1 65 65 MET H H 1 8.385 0.016 . 1 . . . . A 46 MET H . 34149 1 570 . 1 1 65 65 MET HA H 1 4.476 0.018 . 1 . . . . A 46 MET HA . 34149 1 571 . 1 1 65 65 MET HB2 H 1 1.941 0.028 . 1 . . . . A 46 MET HB2 . 34149 1 572 . 1 1 65 65 MET HE1 H 1 2.057 0.025 . 1 . . . . A 46 MET HE1 . 34149 1 573 . 1 1 65 65 MET HE2 H 1 2.057 0.025 . 1 . . . . A 46 MET HE2 . 34149 1 574 . 1 1 65 65 MET HE3 H 1 2.057 0.025 . 1 . . . . A 46 MET HE3 . 34149 1 575 . 1 1 65 65 MET CA C 13 55.273 0.027 . 1 . . . . A 46 MET CA . 34149 1 576 . 1 1 65 65 MET CB C 13 32.698 0 . 1 . . . . A 46 MET CB . 34149 1 577 . 1 1 65 65 MET CE C 13 16.973 0 . 1 . . . . A 46 MET CE . 34149 1 578 . 1 1 65 65 MET N N 15 122.566 0.107 . 1 . . . . A 46 MET N . 34149 1 579 . 1 1 66 66 LYS H H 1 8.393 0.008 . 1 . . . . A 47 LYS H . 34149 1 580 . 1 1 66 66 LYS HA H 1 4.282 0.009 . 1 . . . . A 47 LYS HA . 34149 1 581 . 1 1 66 66 LYS HB2 H 1 1.653 0 . 1 . . . . A 47 LYS HB2 . 34149 1 582 . 1 1 66 66 LYS CA C 13 56.244 0.057 . 1 . . . . A 47 LYS CA . 34149 1 583 . 1 1 66 66 LYS CB C 13 33.092 0.027 . 1 . . . . A 47 LYS CB . 34149 1 584 . 1 1 66 66 LYS N N 15 123.303 0.051 . 1 . . . . A 47 LYS N . 34149 1 585 . 1 1 67 67 LYS H H 1 8.527 0.021 . 1 . . . . A 48 LYS H . 34149 1 586 . 1 1 67 67 LYS HA H 1 4.326 0.013 . 1 . . . . A 48 LYS HA . 34149 1 587 . 1 1 67 67 LYS HB2 H 1 1.674 0 . 1 . . . . A 48 LYS HB2 . 34149 1 588 . 1 1 67 67 LYS CA C 13 56.22 0.051 . 1 . . . . A 48 LYS CA . 34149 1 589 . 1 1 67 67 LYS CB C 13 33.061 0.036 . 1 . . . . A 48 LYS CB . 34149 1 590 . 1 1 67 67 LYS N N 15 124.382 0.059 . 1 . . . . A 48 LYS N . 34149 1 591 . 1 1 68 68 GLU H H 1 8.114 0.012 . 1 . . . . A 49 GLU H . 34149 1 592 . 1 1 68 68 GLU CA C 13 57.846 0.02 . 1 . . . . A 49 GLU CA . 34149 1 593 . 1 1 68 68 GLU CB C 13 31.095 0 . 1 . . . . A 49 GLU CB . 34149 1 594 . 1 1 68 68 GLU N N 15 127.407 0.046 . 1 . . . . A 49 GLU N . 34149 1 stop_ save_