data_34523 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34523 _Entry.Title ; Solution NMR structure of human GATA2 N-terminal zinc finger domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-18 _Entry.Accession_date 2020-06-18 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 S. Nurmohamed S. S. . . 34523 2 R. Broadhurst R. W. . . 34523 3 G. May G. . . . 34523 4 T. Enver T. . . . 34523 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GATA . 34523 Haematopoeisis . 34523 'Transcription factor' . 34523 transcription . 34523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 131 34523 '15N chemical shifts' 53 34523 '1H chemical shifts' 290 34523 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 . . 2021-06-25 . original BMRB . 34523 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZFV 'BMRB Entry Tracking System' 34523 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34523 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _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. . . 34523 1 2 R. Broadhurst R. W. . . 34523 1 3 G. May G. . . . 34523 1 4 T. Enver T. . . . 34523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34523 _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 unit_1 1 $entity_1 A A yes . . . . . . 34523 1 2 unit_2 2 $entity_ZN B A no . . . . . . 34523 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 24 24 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34523 1 2 coordination single . 1 . 1 CYS 27 27 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34523 1 3 coordination single . 1 . 1 CYS 45 45 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34523 1 4 coordination single . 1 . 1 CYS 48 48 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34523 _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 ; MAHHHHHHSSGLEVLFQGPE GRECVNCGATATPLWRRDGT GHYLCNACGLYHKMNGQNRP LIK ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 291-334' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7060.018 _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' common 34523 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 . MET . 34523 1 2 . ALA . 34523 1 3 . HIS . 34523 1 4 . HIS . 34523 1 5 . HIS . 34523 1 6 . HIS . 34523 1 7 . HIS . 34523 1 8 . HIS . 34523 1 9 . SER . 34523 1 10 . SER . 34523 1 11 . GLY . 34523 1 12 . LEU . 34523 1 13 . GLU . 34523 1 14 . VAL . 34523 1 15 . LEU . 34523 1 16 . PHE . 34523 1 17 . GLN . 34523 1 18 . GLY . 34523 1 19 . PRO . 34523 1 20 . GLU . 34523 1 21 . GLY . 34523 1 22 . ARG . 34523 1 23 . GLU . 34523 1 24 . CYS . 34523 1 25 . VAL . 34523 1 26 . ASN . 34523 1 27 . CYS . 34523 1 28 . GLY . 34523 1 29 . ALA . 34523 1 30 . THR . 34523 1 31 . ALA . 34523 1 32 . THR . 34523 1 33 . PRO . 34523 1 34 . LEU . 34523 1 35 . TRP . 34523 1 36 . ARG . 34523 1 37 . ARG . 34523 1 38 . ASP . 34523 1 39 . GLY . 34523 1 40 . THR . 34523 1 41 . GLY . 34523 1 42 . HIS . 34523 1 43 . TYR . 34523 1 44 . LEU . 34523 1 45 . CYS . 34523 1 46 . ASN . 34523 1 47 . ALA . 34523 1 48 . CYS . 34523 1 49 . GLY . 34523 1 50 . LEU . 34523 1 51 . TYR . 34523 1 52 . HIS . 34523 1 53 . LYS . 34523 1 54 . MET . 34523 1 55 . ASN . 34523 1 56 . GLY . 34523 1 57 . GLN . 34523 1 58 . ASN . 34523 1 59 . ARG . 34523 1 60 . PRO . 34523 1 61 . LEU . 34523 1 62 . ILE . 34523 1 63 . LYS . 34523 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 34523 1 . ALA 2 2 34523 1 . HIS 3 3 34523 1 . HIS 4 4 34523 1 . HIS 5 5 34523 1 . HIS 6 6 34523 1 . HIS 7 7 34523 1 . HIS 8 8 34523 1 . SER 9 9 34523 1 . SER 10 10 34523 1 . GLY 11 11 34523 1 . LEU 12 12 34523 1 . GLU 13 13 34523 1 . VAL 14 14 34523 1 . LEU 15 15 34523 1 . PHE 16 16 34523 1 . GLN 17 17 34523 1 . GLY 18 18 34523 1 . PRO 19 19 34523 1 . GLU 20 20 34523 1 . GLY 21 21 34523 1 . ARG 22 22 34523 1 . GLU 23 23 34523 1 . CYS 24 24 34523 1 . VAL 25 25 34523 1 . ASN 26 26 34523 1 . CYS 27 27 34523 1 . GLY 28 28 34523 1 . ALA 29 29 34523 1 . THR 30 30 34523 1 . ALA 31 31 34523 1 . THR 32 32 34523 1 . PRO 33 33 34523 1 . LEU 34 34 34523 1 . TRP 35 35 34523 1 . ARG 36 36 34523 1 . ARG 37 37 34523 1 . ASP 38 38 34523 1 . GLY 39 39 34523 1 . THR 40 40 34523 1 . GLY 41 41 34523 1 . HIS 42 42 34523 1 . TYR 43 43 34523 1 . LEU 44 44 34523 1 . CYS 45 45 34523 1 . ASN 46 46 34523 1 . ALA 47 47 34523 1 . CYS 48 48 34523 1 . GLY 49 49 34523 1 . LEU 50 50 34523 1 . TYR 51 51 34523 1 . HIS 52 52 34523 1 . LYS 53 53 34523 1 . MET 54 54 34523 1 . ASN 55 55 34523 1 . GLY 56 56 34523 1 . GLN 57 57 34523 1 . ASN 58 58 34523 1 . ARG 59 59 34523 1 . PRO 60 60 34523 1 . LEU 61 61 34523 1 . ILE 62 62 34523 1 . LYS 63 63 34523 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34523 _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 34523 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 34523 2 ZN 'Three letter code' 34523 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 34523 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 34523 _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 . 34523 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 34523 _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 . . . . . . . . . . 34523 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 34523 _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 34523 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34523 ZN [Zn++] SMILES CACTVS 3.341 34523 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34523 ZN [Zn+2] SMILES ACDLabs 10.04 34523 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34523 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34523 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 34523 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34523 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 . 34523 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34523 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '10.0 mg/mL [U-99% 13C; U-99% 15N] GATA2 zinc finger 1, 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 1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 10.0 . . mg/mL . . . . 34523 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 34523 _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' 150 . mM 34523 1 pH 5.8 . pH 34523 1 pressure 1 . atm 34523 1 temperature 283 . K 34523 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34523 _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" . . 34523 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34523 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34523 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr 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 . . 34523 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34523 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 34523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 34523 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _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 34523 _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 DRX500 . 500 . . . 34523 1 2 NMR_spectrometer_2 Bruker DRX800 . 800 . . . 34523 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 34523 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 34523 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34523 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34523 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34523 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34523 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34523 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34523 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34523 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34523 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34523 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 34523 _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 . . . . . . ppm . na indirect . . . . . . 34523 1 H 1 . . . . . . ppm . internal direct 1.0 . . . . . 34523 1 N 15 . . . . . . ppm . na indirect . . . . . . 34523 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 34523 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 34523 1 2 '3D 1H-13C NOESY' . . . 34523 1 3 '3D HNCA' . . . 34523 1 4 '3D HNCACB' . . . 34523 1 5 '3D CBCA(CO)NH' . . . 34523 1 6 '3D HNCO' . . . 34523 1 7 '3D 1H-15N TOCSY' . . . 34523 1 8 '3D HBHA(CO)NH' . . . 34523 1 9 '2D 1H-13C HSQC' . . . 34523 1 10 '2D 1H-15N HSQC' . . . 34523 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 4.085 0.004 . 1 . . . . A 2 ALA HA . 34523 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.469 0.004 . 1 . . . . A 2 ALA HB1 . 34523 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.469 0.004 . 1 . . . . A 2 ALA HB2 . 34523 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.469 0.004 . 1 . . . . A 2 ALA HB3 . 34523 1 5 . 1 . 1 2 2 ALA CA C 13 51.649 0.016 . 1 . . . . A 2 ALA CA . 34523 1 6 . 1 . 1 2 2 ALA CB C 13 19.387 0.001 . 1 . . . . A 2 ALA CB . 34523 1 7 . 1 . 1 8 8 HIS HA H 1 4.678 0.017 . 1 . . . . A 8 HIS HA . 34523 1 8 . 1 . 1 8 8 HIS HB2 H 1 3.178 0 . 1 . . . . A 8 HIS HB2 . 34523 1 9 . 1 . 1 8 8 HIS CA C 13 55.43 0.01 . 1 . . . . A 8 HIS CA . 34523 1 10 . 1 . 1 9 9 SER H H 1 8.539 0.004 . 1 . . . . A 9 SER H . 34523 1 11 . 1 . 1 9 9 SER HA H 1 4.543 0.004 . 1 . . . . A 9 SER HA . 34523 1 12 . 1 . 1 9 9 SER HB2 H 1 3.924 0 . 2 . . . . A 9 SER HB2 . 34523 1 13 . 1 . 1 9 9 SER HB3 H 1 3.892 0.002 . 2 . . . . A 9 SER HB3 . 34523 1 14 . 1 . 1 9 9 SER CA C 13 58.196 0 . 1 . . . . A 9 SER CA . 34523 1 15 . 1 . 1 9 9 SER CB C 13 63.798 0.036 . 1 . . . . A 9 SER CB . 34523 1 16 . 1 . 1 9 9 SER N N 15 117.961 0.028 . 1 . . . . A 9 SER N . 34523 1 17 . 1 . 1 10 10 SER H H 1 8.614 0.003 . 1 . . . . A 10 SER H . 34523 1 18 . 1 . 1 10 10 SER HA H 1 4.533 0.008 . 1 . . . . A 10 SER HA . 34523 1 19 . 1 . 1 10 10 SER HB2 H 1 3.958 0.006 . 2 . . . . A 10 SER HB2 . 34523 1 20 . 1 . 1 10 10 SER HB3 H 1 3.929 0.005 . 2 . . . . A 10 SER HB3 . 34523 1 21 . 1 . 1 10 10 SER CA C 13 58.433 0.061 . 1 . . . . A 10 SER CA . 34523 1 22 . 1 . 1 10 10 SER CB C 13 63.915 0.042 . 1 . . . . A 10 SER CB . 34523 1 23 . 1 . 1 10 10 SER N N 15 117.944 0.032 . 1 . . . . A 10 SER N . 34523 1 24 . 1 . 1 11 11 GLY H H 1 8.531 0.003 . 1 . . . . A 11 GLY H . 34523 1 25 . 1 . 1 11 11 GLY HA2 H 1 4.05 0.005 . 2 . . . . A 11 GLY HA2 . 34523 1 26 . 1 . 1 11 11 GLY HA3 H 1 3.996 0.008 . 2 . . . . A 11 GLY HA3 . 34523 1 27 . 1 . 1 11 11 GLY CA C 13 45.369 0.018 . 1 . . . . A 11 GLY CA . 34523 1 28 . 1 . 1 11 11 GLY N N 15 110.406 0.02 . 1 . . . . A 11 GLY N . 34523 1 29 . 1 . 1 12 12 LEU H H 1 8.146 0.004 . 1 . . . . A 12 LEU H . 34523 1 30 . 1 . 1 12 12 LEU HA H 1 4.368 0.011 . 1 . . . . A 12 LEU HA . 34523 1 31 . 1 . 1 12 12 LEU HB2 H 1 1.623 0.023 . 1 . . . . A 12 LEU HB2 . 34523 1 32 . 1 . 1 12 12 LEU HD11 H 1 0.922 0.01 . 2 . . . . A 12 LEU HD11 . 34523 1 33 . 1 . 1 12 12 LEU HD12 H 1 0.922 0.01 . 2 . . . . A 12 LEU HD12 . 34523 1 34 . 1 . 1 12 12 LEU HD13 H 1 0.922 0.01 . 2 . . . . A 12 LEU HD13 . 34523 1 35 . 1 . 1 12 12 LEU HD21 H 1 0.885 0.008 . 2 . . . . A 12 LEU HD21 . 34523 1 36 . 1 . 1 12 12 LEU HD22 H 1 0.885 0.008 . 2 . . . . A 12 LEU HD22 . 34523 1 37 . 1 . 1 12 12 LEU HD23 H 1 0.885 0.008 . 2 . . . . A 12 LEU HD23 . 34523 1 38 . 1 . 1 12 12 LEU CA C 13 55.141 0.095 . 1 . . . . A 12 LEU CA . 34523 1 39 . 1 . 1 12 12 LEU CB C 13 42.297 0.066 . 1 . . . . A 12 LEU CB . 34523 1 40 . 1 . 1 12 12 LEU CD2 C 13 23.391 0.013 . 1 . . . . A 12 LEU CD2 . 34523 1 41 . 1 . 1 12 12 LEU N N 15 121.116 0.041 . 1 . . . . A 12 LEU N . 34523 1 42 . 1 . 1 13 13 GLU H H 1 8.493 0.009 . 1 . . . . A 13 GLU H . 34523 1 43 . 1 . 1 13 13 GLU HA H 1 4.295 0.012 . 1 . . . . A 13 GLU HA . 34523 1 44 . 1 . 1 13 13 GLU HB2 H 1 1.977 0.008 . 2 . . . . A 13 GLU HB2 . 34523 1 45 . 1 . 1 13 13 GLU HB3 H 1 2.039 0.029 . 2 . . . . A 13 GLU HB3 . 34523 1 46 . 1 . 1 13 13 GLU HG2 H 1 2.306 0.016 . 2 . . . . A 13 GLU HG2 . 34523 1 47 . 1 . 1 13 13 GLU HG3 H 1 2.003 0 . 2 . . . . A 13 GLU HG3 . 34523 1 48 . 1 . 1 13 13 GLU CA C 13 56.825 0.06 . 1 . . . . A 13 GLU CA . 34523 1 49 . 1 . 1 13 13 GLU CB C 13 29.919 0.034 . 1 . . . . A 13 GLU CB . 34523 1 50 . 1 . 1 13 13 GLU N N 15 121.233 0.045 . 1 . . . . A 13 GLU N . 34523 1 51 . 1 . 1 14 14 VAL H H 1 8.075 0.007 . 1 . . . . A 14 VAL H . 34523 1 52 . 1 . 1 14 14 VAL HA H 1 4.084 0.011 . 1 . . . . A 14 VAL HA . 34523 1 53 . 1 . 1 14 14 VAL HB H 1 2.048 0.004 . 1 . . . . A 14 VAL HB . 34523 1 54 . 1 . 1 14 14 VAL HG11 H 1 0.883 0.011 . 2 . . . . A 14 VAL HG11 . 34523 1 55 . 1 . 1 14 14 VAL HG12 H 1 0.883 0.011 . 2 . . . . A 14 VAL HG12 . 34523 1 56 . 1 . 1 14 14 VAL HG13 H 1 0.883 0.011 . 2 . . . . A 14 VAL HG13 . 34523 1 57 . 1 . 1 14 14 VAL HG21 H 1 0.921 0.004 . 2 . . . . A 14 VAL HG21 . 34523 1 58 . 1 . 1 14 14 VAL HG22 H 1 0.921 0.004 . 2 . . . . A 14 VAL HG22 . 34523 1 59 . 1 . 1 14 14 VAL HG23 H 1 0.921 0.004 . 2 . . . . A 14 VAL HG23 . 34523 1 60 . 1 . 1 14 14 VAL CA C 13 62.34 0.055 . 1 . . . . A 14 VAL CA . 34523 1 61 . 1 . 1 14 14 VAL CB C 13 32.614 0.076 . 1 . . . . A 14 VAL CB . 34523 1 62 . 1 . 1 14 14 VAL CG1 C 13 21.18 0.002 . 2 . . . . A 14 VAL CG1 . 34523 1 63 . 1 . 1 14 14 VAL CG2 C 13 20.497 0.017 . 2 . . . . A 14 VAL CG2 . 34523 1 64 . 1 . 1 14 14 VAL N N 15 120.553 0.016 . 1 . . . . A 14 VAL N . 34523 1 65 . 1 . 1 15 15 LEU H H 1 8.199 0.008 . 1 . . . . A 15 LEU H . 34523 1 66 . 1 . 1 15 15 LEU HA H 1 4.355 0.026 . 1 . . . . A 15 LEU HA . 34523 1 67 . 1 . 1 15 15 LEU HB2 H 1 1.434 0.011 . 2 . . . . A 15 LEU HB2 . 34523 1 68 . 1 . 1 15 15 LEU HB3 H 1 1.57 0.008 . 2 . . . . A 15 LEU HB3 . 34523 1 69 . 1 . 1 15 15 LEU HD11 H 1 0.855 0.025 . 1 . . . . A 15 LEU HD11 . 34523 1 70 . 1 . 1 15 15 LEU HD12 H 1 0.855 0.025 . 1 . . . . A 15 LEU HD12 . 34523 1 71 . 1 . 1 15 15 LEU HD13 H 1 0.855 0.025 . 1 . . . . A 15 LEU HD13 . 34523 1 72 . 1 . 1 15 15 LEU CA C 13 54.991 0.045 . 1 . . . . A 15 LEU CA . 34523 1 73 . 1 . 1 15 15 LEU CB C 13 42.381 0.037 . 1 . . . . A 15 LEU CB . 34523 1 74 . 1 . 1 15 15 LEU N N 15 124.9 0.017 . 1 . . . . A 15 LEU N . 34523 1 75 . 1 . 1 16 16 PHE H H 1 8.224 0.002 . 1 . . . . A 16 PHE H . 34523 1 76 . 1 . 1 16 16 PHE HA H 1 4.648 0.002 . 1 . . . . A 16 PHE HA . 34523 1 77 . 1 . 1 16 16 PHE HB2 H 1 3.059 0.004 . 2 . . . . A 16 PHE HB2 . 34523 1 78 . 1 . 1 16 16 PHE HB3 H 1 3.137 0.006 . 2 . . . . A 16 PHE HB3 . 34523 1 79 . 1 . 1 16 16 PHE HD1 H 1 7.256 0.014 . 1 . . . . A 16 PHE HD1 . 34523 1 80 . 1 . 1 16 16 PHE HD2 H 1 7.256 0.014 . 1 . . . . A 16 PHE HD2 . 34523 1 81 . 1 . 1 16 16 PHE HE1 H 1 7.327 0.021 . 1 . . . . A 16 PHE HE1 . 34523 1 82 . 1 . 1 16 16 PHE HE2 H 1 7.327 0.021 . 1 . . . . A 16 PHE HE2 . 34523 1 83 . 1 . 1 16 16 PHE HZ H 1 7.282 0.02 . 1 . . . . A 16 PHE HZ . 34523 1 84 . 1 . 1 16 16 PHE CB C 13 39.471 0.022 . 1 . . . . A 16 PHE CB . 34523 1 85 . 1 . 1 16 16 PHE CD1 C 13 131.744 0.135 . 1 . . . . A 16 PHE CD1 . 34523 1 86 . 1 . 1 16 16 PHE CD2 C 13 131.744 0.135 . 1 . . . . A 16 PHE CD2 . 34523 1 87 . 1 . 1 16 16 PHE CE1 C 13 132.375 0 . 1 . . . . A 16 PHE CE1 . 34523 1 88 . 1 . 1 16 16 PHE CE2 C 13 132.375 0 . 1 . . . . A 16 PHE CE2 . 34523 1 89 . 1 . 1 16 16 PHE CZ C 13 129.772 0.052 . 1 . . . . A 16 PHE CZ . 34523 1 90 . 1 . 1 16 16 PHE N N 15 121.65 0 . 1 . . . . A 16 PHE N . 34523 1 91 . 1 . 1 17 17 GLN H H 1 8.3 0.008 . 1 . . . . A 17 GLN H . 34523 1 92 . 1 . 1 17 17 GLN HA H 1 4.395 0.005 . 1 . . . . A 17 GLN HA . 34523 1 93 . 1 . 1 17 17 GLN HB2 H 1 2.116 0.005 . 2 . . . . A 17 GLN HB2 . 34523 1 94 . 1 . 1 17 17 GLN HB3 H 1 1.949 0.007 . 2 . . . . A 17 GLN HB3 . 34523 1 95 . 1 . 1 17 17 GLN HG2 H 1 2.342 0.005 . 1 . . . . A 17 GLN HG2 . 34523 1 96 . 1 . 1 17 17 GLN HE21 H 1 6.879 0.003 . 1 . . . . A 17 GLN HE21 . 34523 1 97 . 1 . 1 17 17 GLN HE22 H 1 7.552 0.002 . 1 . . . . A 17 GLN HE22 . 34523 1 98 . 1 . 1 17 17 GLN CA C 13 55.449 0.028 . 1 . . . . A 17 GLN CA . 34523 1 99 . 1 . 1 17 17 GLN CB C 13 29.824 0.027 . 1 . . . . A 17 GLN CB . 34523 1 100 . 1 . 1 17 17 GLN CG C 13 33.708 0.032 . 1 . . . . A 17 GLN CG . 34523 1 101 . 1 . 1 17 17 GLN N N 15 122.206 0.067 . 1 . . . . A 17 GLN N . 34523 1 102 . 1 . 1 17 17 GLN NE2 N 15 111.977 0.058 . 1 . . . . A 17 GLN NE2 . 34523 1 103 . 1 . 1 18 18 GLY H H 1 8.011 0.004 . 1 . . . . A 18 GLY H . 34523 1 104 . 1 . 1 18 18 GLY HA2 H 1 4.127 0.014 . 2 . . . . A 18 GLY HA2 . 34523 1 105 . 1 . 1 18 18 GLY HA3 H 1 4.037 0.012 . 2 . . . . A 18 GLY HA3 . 34523 1 106 . 1 . 1 18 18 GLY CA C 13 44.605 0.033 . 1 . . . . A 18 GLY CA . 34523 1 107 . 1 . 1 18 18 GLY N N 15 109.727 0.033 . 1 . . . . A 18 GLY N . 34523 1 108 . 1 . 1 19 19 PRO HA H 1 4.395 0.006 . 1 . . . . A 19 PRO HA . 34523 1 109 . 1 . 1 19 19 PRO HB2 H 1 2.272 0.003 . 2 . . . . A 19 PRO HB2 . 34523 1 110 . 1 . 1 19 19 PRO HB3 H 1 1.964 0.004 . 2 . . . . A 19 PRO HB3 . 34523 1 111 . 1 . 1 19 19 PRO HG2 H 1 2.033 0.006 . 1 . . . . A 19 PRO HG2 . 34523 1 112 . 1 . 1 19 19 PRO HD2 H 1 3.654 0.006 . 1 . . . . A 19 PRO HD2 . 34523 1 113 . 1 . 1 19 19 PRO CA C 13 63.343 0.049 . 1 . . . . A 19 PRO CA . 34523 1 114 . 1 . 1 19 19 PRO CB C 13 31.999 0.025 . 1 . . . . A 19 PRO CB . 34523 1 115 . 1 . 1 19 19 PRO CG C 13 27.137 0.057 . 1 . . . . A 19 PRO CG . 34523 1 116 . 1 . 1 19 19 PRO CD C 13 49.706 0.056 . 1 . . . . A 19 PRO CD . 34523 1 117 . 1 . 1 20 20 GLU H H 1 8.614 0.005 . 1 . . . . A 20 GLU H . 34523 1 118 . 1 . 1 20 20 GLU HA H 1 4.271 0.002 . 1 . . . . A 20 GLU HA . 34523 1 119 . 1 . 1 20 20 GLU HB2 H 1 1.971 0.014 . 1 . . . . A 20 GLU HB2 . 34523 1 120 . 1 . 1 20 20 GLU HG2 H 1 2.3 0.004 . 1 . . . . A 20 GLU HG2 . 34523 1 121 . 1 . 1 20 20 GLU CA C 13 56.825 0.092 . 1 . . . . A 20 GLU CA . 34523 1 122 . 1 . 1 20 20 GLU N N 15 120.317 0.146 . 1 . . . . A 20 GLU N . 34523 1 123 . 1 . 1 21 21 GLY H H 1 8.324 0.006 . 1 . . . . A 21 GLY H . 34523 1 124 . 1 . 1 21 21 GLY HA2 H 1 3.789 0.018 . 2 . . . . A 21 GLY HA2 . 34523 1 125 . 1 . 1 21 21 GLY HA3 H 1 3.874 0.015 . 2 . . . . A 21 GLY HA3 . 34523 1 126 . 1 . 1 21 21 GLY CA C 13 45.306 0.024 . 1 . . . . A 21 GLY CA . 34523 1 127 . 1 . 1 21 21 GLY N N 15 109.59 0.053 . 1 . . . . A 21 GLY N . 34523 1 128 . 1 . 1 22 22 ARG H H 1 7.802 0.005 . 1 . . . . A 22 ARG H . 34523 1 129 . 1 . 1 22 22 ARG HA H 1 3.821 0.011 . 1 . . . . A 22 ARG HA . 34523 1 130 . 1 . 1 22 22 ARG N N 15 120.876 0.067 . 1 . . . . A 22 ARG N . 34523 1 131 . 1 . 1 23 23 GLU H H 1 7.439 0.012 . 1 . . . . A 23 GLU H . 34523 1 132 . 1 . 1 23 23 GLU HA H 1 5.043 0.011 . 1 . . . . A 23 GLU HA . 34523 1 133 . 1 . 1 23 23 GLU HB2 H 1 1.799 0.006 . 2 . . . . A 23 GLU HB2 . 34523 1 134 . 1 . 1 23 23 GLU HB3 H 1 2.37 0 . 2 . . . . A 23 GLU HB3 . 34523 1 135 . 1 . 1 23 23 GLU HG2 H 1 2.073 0.01 . 1 . . . . A 23 GLU HG2 . 34523 1 136 . 1 . 1 23 23 GLU CA C 13 53.749 0.049 . 1 . . . . A 23 GLU CA . 34523 1 137 . 1 . 1 23 23 GLU CB C 13 33.09 0.012 . 1 . . . . A 23 GLU CB . 34523 1 138 . 1 . 1 23 23 GLU N N 15 119.397 0.085 . 1 . . . . A 23 GLU N . 34523 1 139 . 1 . 1 24 24 CYS H H 1 9.309 0.006 . 1 . . . . A 24 CYS H . 34523 1 140 . 1 . 1 24 24 CYS HA H 1 4.74 0.027 . 1 . . . . A 24 CYS HA . 34523 1 141 . 1 . 1 24 24 CYS HB2 H 1 3.63 0.011 . 2 . . . . A 24 CYS HB2 . 34523 1 142 . 1 . 1 24 24 CYS HB3 H 1 3.086 0.007 . 2 . . . . A 24 CYS HB3 . 34523 1 143 . 1 . 1 24 24 CYS CB C 13 30.986 0.066 . 1 . . . . A 24 CYS CB . 34523 1 144 . 1 . 1 24 24 CYS N N 15 124.661 0.087 . 1 . . . . A 24 CYS N . 34523 1 145 . 1 . 1 25 25 VAL H H 1 9.312 0.003 . 1 . . . . A 25 VAL H . 34523 1 146 . 1 . 1 25 25 VAL HA H 1 4.161 0.011 . 1 . . . . A 25 VAL HA . 34523 1 147 . 1 . 1 25 25 VAL HB H 1 2.371 0.005 . 1 . . . . A 25 VAL HB . 34523 1 148 . 1 . 1 25 25 VAL HG11 H 1 1.113 0.012 . 2 . . . . A 25 VAL HG11 . 34523 1 149 . 1 . 1 25 25 VAL HG12 H 1 1.113 0.012 . 2 . . . . A 25 VAL HG12 . 34523 1 150 . 1 . 1 25 25 VAL HG13 H 1 1.113 0.012 . 2 . . . . A 25 VAL HG13 . 34523 1 151 . 1 . 1 25 25 VAL HG21 H 1 0.94 0.003 . 2 . . . . A 25 VAL HG21 . 34523 1 152 . 1 . 1 25 25 VAL HG22 H 1 0.94 0.003 . 2 . . . . A 25 VAL HG22 . 34523 1 153 . 1 . 1 25 25 VAL HG23 H 1 0.94 0.003 . 2 . . . . A 25 VAL HG23 . 34523 1 154 . 1 . 1 25 25 VAL CA C 13 64.177 0.017 . 1 . . . . A 25 VAL CA . 34523 1 155 . 1 . 1 25 25 VAL CB C 13 32.217 0.054 . 1 . . . . A 25 VAL CB . 34523 1 156 . 1 . 1 25 25 VAL CG1 C 13 20.696 0.014 . 2 . . . . A 25 VAL CG1 . 34523 1 157 . 1 . 1 25 25 VAL CG2 C 13 20.531 0.029 . 2 . . . . A 25 VAL CG2 . 34523 1 158 . 1 . 1 25 25 VAL N N 15 129.974 0.053 . 1 . . . . A 25 VAL N . 34523 1 159 . 1 . 1 26 26 ASN H H 1 8.885 0.004 . 1 . . . . A 26 ASN H . 34523 1 160 . 1 . 1 26 26 ASN HA H 1 4.976 0.011 . 1 . . . . A 26 ASN HA . 34523 1 161 . 1 . 1 26 26 ASN HB2 H 1 3.454 0.012 . 2 . . . . A 26 ASN HB2 . 34523 1 162 . 1 . 1 26 26 ASN HB3 H 1 2.648 0.017 . 2 . . . . A 26 ASN HB3 . 34523 1 163 . 1 . 1 26 26 ASN CA C 13 55.735 0.067 . 1 . . . . A 26 ASN CA . 34523 1 164 . 1 . 1 26 26 ASN CB C 13 40.383 0.042 . 1 . . . . A 26 ASN CB . 34523 1 165 . 1 . 1 26 26 ASN N N 15 120.788 0.043 . 1 . . . . A 26 ASN N . 34523 1 166 . 1 . 1 27 27 CYS H H 1 8.609 0.004 . 1 . . . . A 27 CYS H . 34523 1 167 . 1 . 1 27 27 CYS HA H 1 5.063 0.011 . 1 . . . . A 27 CYS HA . 34523 1 168 . 1 . 1 27 27 CYS HB2 H 1 3.356 0.011 . 2 . . . . A 27 CYS HB2 . 34523 1 169 . 1 . 1 27 27 CYS HB3 H 1 2.519 0.013 . 2 . . . . A 27 CYS HB3 . 34523 1 170 . 1 . 1 27 27 CYS CA C 13 58.862 0.076 . 1 . . . . A 27 CYS CA . 34523 1 171 . 1 . 1 27 27 CYS CB C 13 34.274 0.02 . 1 . . . . A 27 CYS CB . 34523 1 172 . 1 . 1 27 27 CYS N N 15 116.675 0.059 . 1 . . . . A 27 CYS N . 34523 1 173 . 1 . 1 28 28 GLY H H 1 8.227 0.006 . 1 . . . . A 28 GLY H . 34523 1 174 . 1 . 1 28 28 GLY HA2 H 1 4.329 0.013 . 2 . . . . A 28 GLY HA2 . 34523 1 175 . 1 . 1 28 28 GLY HA3 H 1 3.948 0.012 . 2 . . . . A 28 GLY HA3 . 34523 1 176 . 1 . 1 28 28 GLY CA C 13 45.99 0.033 . 1 . . . . A 28 GLY CA . 34523 1 177 . 1 . 1 28 28 GLY N N 15 112.543 0.069 . 1 . . . . A 28 GLY N . 34523 1 178 . 1 . 1 29 29 ALA H H 1 9.213 0.005 . 1 . . . . A 29 ALA H . 34523 1 179 . 1 . 1 29 29 ALA HA H 1 4.425 0.006 . 1 . . . . A 29 ALA HA . 34523 1 180 . 1 . 1 29 29 ALA HB1 H 1 1.609 0.01 . 1 . . . . A 29 ALA HB1 . 34523 1 181 . 1 . 1 29 29 ALA HB2 H 1 1.609 0.01 . 1 . . . . A 29 ALA HB2 . 34523 1 182 . 1 . 1 29 29 ALA HB3 H 1 1.609 0.01 . 1 . . . . A 29 ALA HB3 . 34523 1 183 . 1 . 1 29 29 ALA CA C 13 54.086 0.07 . 1 . . . . A 29 ALA CA . 34523 1 184 . 1 . 1 29 29 ALA CB C 13 20.071 0.017 . 1 . . . . A 29 ALA CB . 34523 1 185 . 1 . 1 29 29 ALA N N 15 125.484 0.042 . 1 . . . . A 29 ALA N . 34523 1 186 . 1 . 1 30 30 THR H H 1 8.582 0.006 . 1 . . . . A 30 THR H . 34523 1 187 . 1 . 1 30 30 THR HA H 1 5.031 0.009 . 1 . . . . A 30 THR HA . 34523 1 188 . 1 . 1 30 30 THR HG21 H 1 1.417 0.009 . 1 . . . . A 30 THR HG21 . 34523 1 189 . 1 . 1 30 30 THR HG22 H 1 1.417 0.009 . 1 . . . . A 30 THR HG22 . 34523 1 190 . 1 . 1 30 30 THR HG23 H 1 1.417 0.009 . 1 . . . . A 30 THR HG23 . 34523 1 191 . 1 . 1 30 30 THR CA C 13 60.955 0.03 . 1 . . . . A 30 THR CA . 34523 1 192 . 1 . 1 30 30 THR CG2 C 13 21.74 0.026 . 1 . . . . A 30 THR CG2 . 34523 1 193 . 1 . 1 30 30 THR N N 15 107.283 0.013 . 1 . . . . A 30 THR N . 34523 1 194 . 1 . 1 31 31 ALA H H 1 7.722 0.013 . 1 . . . . A 31 ALA H . 34523 1 195 . 1 . 1 31 31 ALA HB1 H 1 1.333 0.005 . 1 . . . . A 31 ALA HB1 . 34523 1 196 . 1 . 1 31 31 ALA HB2 H 1 1.333 0.005 . 1 . . . . A 31 ALA HB2 . 34523 1 197 . 1 . 1 31 31 ALA HB3 H 1 1.333 0.005 . 1 . . . . A 31 ALA HB3 . 34523 1 198 . 1 . 1 31 31 ALA CB C 13 21.213 0.01 . 1 . . . . A 31 ALA CB . 34523 1 199 . 1 . 1 31 31 ALA N N 15 125.031 0.039 . 1 . . . . A 31 ALA N . 34523 1 200 . 1 . 1 32 32 THR H H 1 7.764 0.013 . 1 . . . . A 32 THR H . 34523 1 201 . 1 . 1 32 32 THR HA H 1 4.712 0.005 . 1 . . . . A 32 THR HA . 34523 1 202 . 1 . 1 32 32 THR CA C 13 58.473 0.12 . 1 . . . . A 32 THR CA . 34523 1 203 . 1 . 1 32 32 THR N N 15 115.963 0.052 . 1 . . . . A 32 THR N . 34523 1 204 . 1 . 1 33 33 PRO HA H 1 4.365 0.004 . 1 . . . . A 33 PRO HA . 34523 1 205 . 1 . 1 33 33 PRO HB2 H 1 1.778 0.009 . 2 . . . . A 33 PRO HB2 . 34523 1 206 . 1 . 1 33 33 PRO HB3 H 1 2.371 0.007 . 2 . . . . A 33 PRO HB3 . 34523 1 207 . 1 . 1 33 33 PRO HG2 H 1 1.912 0.024 . 2 . . . . A 33 PRO HG2 . 34523 1 208 . 1 . 1 33 33 PRO HG3 H 1 1.977 0.022 . 2 . . . . A 33 PRO HG3 . 34523 1 209 . 1 . 1 33 33 PRO HD2 H 1 3.76 0.002 . 2 . . . . A 33 PRO HD2 . 34523 1 210 . 1 . 1 33 33 PRO HD3 H 1 3.762 0.001 . 2 . . . . A 33 PRO HD3 . 34523 1 211 . 1 . 1 33 33 PRO CA C 13 63.988 0.076 . 1 . . . . A 33 PRO CA . 34523 1 212 . 1 . 1 33 33 PRO CB C 13 32.3 0.018 . 1 . . . . A 33 PRO CB . 34523 1 213 . 1 . 1 33 33 PRO CG C 13 27.57 0.044 . 1 . . . . A 33 PRO CG . 34523 1 214 . 1 . 1 33 33 PRO CD C 13 52.184 0.038 . 1 . . . . A 33 PRO CD . 34523 1 215 . 1 . 1 34 34 LEU H H 1 9.151 0.002 . 1 . . . . A 34 LEU H . 34523 1 216 . 1 . 1 34 34 LEU HA H 1 5.972 0.013 . 1 . . . . A 34 LEU HA . 34523 1 217 . 1 . 1 34 34 LEU HB2 H 1 1.481 0.006 . 2 . . . . A 34 LEU HB2 . 34523 1 218 . 1 . 1 34 34 LEU HB3 H 1 1.633 0.009 . 2 . . . . A 34 LEU HB3 . 34523 1 219 . 1 . 1 34 34 LEU HD11 H 1 1.081 0.004 . 2 . . . . A 34 LEU HD11 . 34523 1 220 . 1 . 1 34 34 LEU HD12 H 1 1.081 0.004 . 2 . . . . A 34 LEU HD12 . 34523 1 221 . 1 . 1 34 34 LEU HD13 H 1 1.081 0.004 . 2 . . . . A 34 LEU HD13 . 34523 1 222 . 1 . 1 34 34 LEU HD21 H 1 0.842 0.004 . 2 . . . . A 34 LEU HD21 . 34523 1 223 . 1 . 1 34 34 LEU HD22 H 1 0.842 0.004 . 2 . . . . A 34 LEU HD22 . 34523 1 224 . 1 . 1 34 34 LEU HD23 H 1 0.842 0.004 . 2 . . . . A 34 LEU HD23 . 34523 1 225 . 1 . 1 34 34 LEU CA C 13 52.657 0.025 . 1 . . . . A 34 LEU CA . 34523 1 226 . 1 . 1 34 34 LEU CB C 13 46.733 0.057 . 1 . . . . A 34 LEU CB . 34523 1 227 . 1 . 1 34 34 LEU CD1 C 13 25.634 0.017 . 2 . . . . A 34 LEU CD1 . 34523 1 228 . 1 . 1 34 34 LEU CD2 C 13 26.382 0.043 . 2 . . . . A 34 LEU CD2 . 34523 1 229 . 1 . 1 34 34 LEU N N 15 120.091 0.08 . 1 . . . . A 34 LEU N . 34523 1 230 . 1 . 1 35 35 TRP H H 1 9.674 0.006 . 1 . . . . A 35 TRP H . 34523 1 231 . 1 . 1 35 35 TRP HA H 1 4.423 0 . 1 . . . . A 35 TRP HA . 34523 1 232 . 1 . 1 35 35 TRP HB2 H 1 2.724 0.004 . 2 . . . . A 35 TRP HB2 . 34523 1 233 . 1 . 1 35 35 TRP HB3 H 1 3.075 0.015 . 2 . . . . A 35 TRP HB3 . 34523 1 234 . 1 . 1 35 35 TRP HD1 H 1 7.23 0.022 . 1 . . . . A 35 TRP HD1 . 34523 1 235 . 1 . 1 35 35 TRP HE1 H 1 10.142 0.003 . 1 . . . . A 35 TRP HE1 . 34523 1 236 . 1 . 1 35 35 TRP HE3 H 1 7.499 0.019 . 1 . . . . A 35 TRP HE3 . 34523 1 237 . 1 . 1 35 35 TRP HZ2 H 1 7.097 0.025 . 1 . . . . A 35 TRP HZ2 . 34523 1 238 . 1 . 1 35 35 TRP HZ3 H 1 6.5 0.025 . 1 . . . . A 35 TRP HZ3 . 34523 1 239 . 1 . 1 35 35 TRP HH2 H 1 7.091 0.01 . 1 . . . . A 35 TRP HH2 . 34523 1 240 . 1 . 1 35 35 TRP CB C 13 30.393 0.031 . 1 . . . . A 35 TRP CB . 34523 1 241 . 1 . 1 35 35 TRP CD1 C 13 127.048 0.077 . 1 . . . . A 35 TRP CD1 . 34523 1 242 . 1 . 1 35 35 TRP CE3 C 13 120.575 0.109 . 1 . . . . A 35 TRP CE3 . 34523 1 243 . 1 . 1 35 35 TRP CZ2 C 13 114.546 0.058 . 1 . . . . A 35 TRP CZ2 . 34523 1 244 . 1 . 1 35 35 TRP CZ3 C 13 120.451 0.028 . 1 . . . . A 35 TRP CZ3 . 34523 1 245 . 1 . 1 35 35 TRP CH2 C 13 124.423 0.059 . 1 . . . . A 35 TRP CH2 . 34523 1 246 . 1 . 1 35 35 TRP N N 15 120.019 0.08 . 1 . . . . A 35 TRP N . 34523 1 247 . 1 . 1 35 35 TRP NE1 N 15 128.734 0.035 . 1 . . . . A 35 TRP NE1 . 34523 1 248 . 1 . 1 36 36 ARG H H 1 8.531 0.009 . 1 . . . . A 36 ARG H . 34523 1 249 . 1 . 1 36 36 ARG HA H 1 4.421 0.004 . 1 . . . . A 36 ARG HA . 34523 1 250 . 1 . 1 36 36 ARG CA C 13 57.996 0.018 . 1 . . . . A 36 ARG CA . 34523 1 251 . 1 . 1 36 36 ARG N N 15 124.054 0.125 . 1 . . . . A 36 ARG N . 34523 1 252 . 1 . 1 37 37 ARG HA H 1 4.955 0 . 1 . . . . A 37 ARG HA . 34523 1 253 . 1 . 1 38 38 ASP H H 1 8.49 0.004 . 1 . . . . A 38 ASP H . 34523 1 254 . 1 . 1 38 38 ASP HA H 1 4.678 0.004 . 1 . . . . A 38 ASP HA . 34523 1 255 . 1 . 1 38 38 ASP HB2 H 1 2.405 0.006 . 2 . . . . A 38 ASP HB2 . 34523 1 256 . 1 . 1 38 38 ASP HB3 H 1 3.139 0.005 . 2 . . . . A 38 ASP HB3 . 34523 1 257 . 1 . 1 38 38 ASP CA C 13 52.492 0.122 . 1 . . . . A 38 ASP CA . 34523 1 258 . 1 . 1 38 38 ASP CB C 13 41.228 0.029 . 1 . . . . A 38 ASP CB . 34523 1 259 . 1 . 1 38 38 ASP N N 15 121.55 0.092 . 1 . . . . A 38 ASP N . 34523 1 260 . 1 . 1 39 39 GLY H H 1 8.48 0.011 . 1 . . . . A 39 GLY H . 34523 1 261 . 1 . 1 39 39 GLY HA2 H 1 4.15 0.013 . 2 . . . . A 39 GLY HA2 . 34523 1 262 . 1 . 1 39 39 GLY HA3 H 1 3.982 0.01 . 2 . . . . A 39 GLY HA3 . 34523 1 263 . 1 . 1 39 39 GLY CA C 13 46.065 0.021 . 1 . . . . A 39 GLY CA . 34523 1 264 . 1 . 1 39 39 GLY N N 15 106.79 0.03 . 1 . . . . A 39 GLY N . 34523 1 265 . 1 . 1 40 40 THR H H 1 8.5 0.012 . 1 . . . . A 40 THR H . 34523 1 266 . 1 . 1 40 40 THR HA H 1 4.619 0.01 . 1 . . . . A 40 THR HA . 34523 1 267 . 1 . 1 40 40 THR HB H 1 4.54 0.012 . 1 . . . . A 40 THR HB . 34523 1 268 . 1 . 1 40 40 THR HG21 H 1 1.185 0.01 . 1 . . . . A 40 THR HG21 . 34523 1 269 . 1 . 1 40 40 THR HG22 H 1 1.185 0.01 . 1 . . . . A 40 THR HG22 . 34523 1 270 . 1 . 1 40 40 THR HG23 H 1 1.185 0.01 . 1 . . . . A 40 THR HG23 . 34523 1 271 . 1 . 1 40 40 THR CA C 13 60.73 0.022 . 1 . . . . A 40 THR CA . 34523 1 272 . 1 . 1 40 40 THR CB C 13 69.798 0.093 . 1 . . . . A 40 THR CB . 34523 1 273 . 1 . 1 40 40 THR CG2 C 13 21.492 0.089 . 1 . . . . A 40 THR CG2 . 34523 1 274 . 1 . 1 40 40 THR N N 15 110.783 0.055 . 1 . . . . A 40 THR N . 34523 1 275 . 1 . 1 41 41 GLY H H 1 8.244 0.009 . 1 . . . . A 41 GLY H . 34523 1 276 . 1 . 1 41 41 GLY HA2 H 1 3.505 0.004 . 2 . . . . A 41 GLY HA2 . 34523 1 277 . 1 . 1 41 41 GLY HA3 H 1 4.087 0.009 . 2 . . . . A 41 GLY HA3 . 34523 1 278 . 1 . 1 41 41 GLY CA C 13 45.151 0.057 . 1 . . . . A 41 GLY CA . 34523 1 279 . 1 . 1 41 41 GLY N N 15 109.087 0.041 . 1 . . . . A 41 GLY N . 34523 1 280 . 1 . 1 42 42 HIS H H 1 8.606 0.011 . 1 . . . . A 42 HIS H . 34523 1 281 . 1 . 1 42 42 HIS HA H 1 4.691 0 . 1 . . . . A 42 HIS HA . 34523 1 282 . 1 . 1 42 42 HIS HB2 H 1 3.172 0.005 . 2 . . . . A 42 HIS HB2 . 34523 1 283 . 1 . 1 42 42 HIS HB3 H 1 3.468 0.01 . 2 . . . . A 42 HIS HB3 . 34523 1 284 . 1 . 1 42 42 HIS CB C 13 29.187 0.049 . 1 . . . . A 42 HIS CB . 34523 1 285 . 1 . 1 42 42 HIS N N 15 119.178 0.08 . 1 . . . . A 42 HIS N . 34523 1 286 . 1 . 1 43 43 TYR H H 1 8.899 0.006 . 1 . . . . A 43 TYR H . 34523 1 287 . 1 . 1 43 43 TYR HA H 1 5.131 0.015 . 1 . . . . A 43 TYR HA . 34523 1 288 . 1 . 1 43 43 TYR HB2 H 1 2.701 0.011 . 2 . . . . A 43 TYR HB2 . 34523 1 289 . 1 . 1 43 43 TYR HB3 H 1 2.986 0.013 . 2 . . . . A 43 TYR HB3 . 34523 1 290 . 1 . 1 43 43 TYR HD1 H 1 7.071 0.009 . 1 . . . . A 43 TYR HD1 . 34523 1 291 . 1 . 1 43 43 TYR HD2 H 1 7.071 0.009 . 1 . . . . A 43 TYR HD2 . 34523 1 292 . 1 . 1 43 43 TYR HE1 H 1 6.674 0.014 . 1 . . . . A 43 TYR HE1 . 34523 1 293 . 1 . 1 43 43 TYR HE2 H 1 6.674 0.014 . 1 . . . . A 43 TYR HE2 . 34523 1 294 . 1 . 1 43 43 TYR CA C 13 59.124 0.032 . 1 . . . . A 43 TYR CA . 34523 1 295 . 1 . 1 43 43 TYR CB C 13 40.96 0.029 . 1 . . . . A 43 TYR CB . 34523 1 296 . 1 . 1 43 43 TYR CD1 C 13 132.607 0.041 . 1 . . . . A 43 TYR CD1 . 34523 1 297 . 1 . 1 43 43 TYR CD2 C 13 132.607 0.041 . 1 . . . . A 43 TYR CD2 . 34523 1 298 . 1 . 1 43 43 TYR CE1 C 13 117.818 0.054 . 1 . . . . A 43 TYR CE1 . 34523 1 299 . 1 . 1 43 43 TYR CE2 C 13 117.818 0.054 . 1 . . . . A 43 TYR CE2 . 34523 1 300 . 1 . 1 43 43 TYR N N 15 118.913 0.032 . 1 . . . . A 43 TYR N . 34523 1 301 . 1 . 1 44 44 LEU HA H 1 4.418 0.01 . 1 . . . . A 44 LEU HA . 34523 1 302 . 1 . 1 44 44 LEU HB2 H 1 1.408 0.01 . 2 . . . . A 44 LEU HB2 . 34523 1 303 . 1 . 1 44 44 LEU HB3 H 1 1.488 0.008 . 2 . . . . A 44 LEU HB3 . 34523 1 304 . 1 . 1 44 44 LEU HG H 1 1.611 0.01 . 1 . . . . A 44 LEU HG . 34523 1 305 . 1 . 1 44 44 LEU HD11 H 1 0.841 0.007 . 2 . . . . A 44 LEU HD11 . 34523 1 306 . 1 . 1 44 44 LEU HD12 H 1 0.841 0.007 . 2 . . . . A 44 LEU HD12 . 34523 1 307 . 1 . 1 44 44 LEU HD13 H 1 0.841 0.007 . 2 . . . . A 44 LEU HD13 . 34523 1 308 . 1 . 1 44 44 LEU HD21 H 1 0.972 0.003 . 2 . . . . A 44 LEU HD21 . 34523 1 309 . 1 . 1 44 44 LEU HD22 H 1 0.972 0.003 . 2 . . . . A 44 LEU HD22 . 34523 1 310 . 1 . 1 44 44 LEU HD23 H 1 0.972 0.003 . 2 . . . . A 44 LEU HD23 . 34523 1 311 . 1 . 1 44 44 LEU CA C 13 54.928 0.135 . 1 . . . . A 44 LEU CA . 34523 1 312 . 1 . 1 44 44 LEU CB C 13 44.855 0.081 . 1 . . . . A 44 LEU CB . 34523 1 313 . 1 . 1 44 44 LEU CD1 C 13 25.112 0.036 . 2 . . . . A 44 LEU CD1 . 34523 1 314 . 1 . 1 44 44 LEU CD2 C 13 24.078 0.025 . 2 . . . . A 44 LEU CD2 . 34523 1 315 . 1 . 1 46 46 ASN HA H 1 3.754 0.009 . 1 . . . . A 46 ASN HA . 34523 1 316 . 1 . 1 46 46 ASN HB2 H 1 2.718 0.016 . 2 . . . . A 46 ASN HB2 . 34523 1 317 . 1 . 1 46 46 ASN HB3 H 1 3.178 0.01 . 2 . . . . A 46 ASN HB3 . 34523 1 318 . 1 . 1 46 46 ASN HD21 H 1 7.042 0.012 . 1 . . . . A 46 ASN HD21 . 34523 1 319 . 1 . 1 46 46 ASN HD22 H 1 7.717 0.004 . 1 . . . . A 46 ASN HD22 . 34523 1 320 . 1 . 1 46 46 ASN CA C 13 52.193 0.015 . 1 . . . . A 46 ASN CA . 34523 1 321 . 1 . 1 46 46 ASN CB C 13 39.38 0.055 . 1 . . . . A 46 ASN CB . 34523 1 322 . 1 . 1 46 46 ASN ND2 N 15 113.915 0.06 . 1 . . . . A 46 ASN ND2 . 34523 1 323 . 1 . 1 47 47 ALA H H 1 8.121 0.01 . 1 . . . . A 47 ALA H . 34523 1 324 . 1 . 1 47 47 ALA HA H 1 4.192 0.019 . 1 . . . . A 47 ALA HA . 34523 1 325 . 1 . 1 47 47 ALA HB1 H 1 1.571 0.011 . 1 . . . . A 47 ALA HB1 . 34523 1 326 . 1 . 1 47 47 ALA HB2 H 1 1.571 0.011 . 1 . . . . A 47 ALA HB2 . 34523 1 327 . 1 . 1 47 47 ALA HB3 H 1 1.571 0.011 . 1 . . . . A 47 ALA HB3 . 34523 1 328 . 1 . 1 47 47 ALA CA C 13 55.418 0.037 . 1 . . . . A 47 ALA CA . 34523 1 329 . 1 . 1 47 47 ALA CB C 13 18.721 0.021 . 1 . . . . A 47 ALA CB . 34523 1 330 . 1 . 1 47 47 ALA N N 15 119.672 0.087 . 1 . . . . A 47 ALA N . 34523 1 331 . 1 . 1 48 48 CYS H H 1 8.992 0.007 . 1 . . . . A 48 CYS H . 34523 1 332 . 1 . 1 48 48 CYS HA H 1 4.106 0.005 . 1 . . . . A 48 CYS HA . 34523 1 333 . 1 . 1 48 48 CYS HB2 H 1 3.11 0.012 . 2 . . . . A 48 CYS HB2 . 34523 1 334 . 1 . 1 48 48 CYS HB3 H 1 3.279 0.01 . 2 . . . . A 48 CYS HB3 . 34523 1 335 . 1 . 1 48 48 CYS CA C 13 64.372 0.031 . 1 . . . . A 48 CYS CA . 34523 1 336 . 1 . 1 48 48 CYS CB C 13 29.937 0.05 . 1 . . . . A 48 CYS CB . 34523 1 337 . 1 . 1 48 48 CYS N N 15 121.279 0.048 . 1 . . . . A 48 CYS N . 34523 1 338 . 1 . 1 49 49 GLY H H 1 9.198 0.014 . 1 . . . . A 49 GLY H . 34523 1 339 . 1 . 1 49 49 GLY HA2 H 1 3.611 0.011 . 2 . . . . A 49 GLY HA2 . 34523 1 340 . 1 . 1 49 49 GLY HA3 H 1 4.006 0.011 . 2 . . . . A 49 GLY HA3 . 34523 1 341 . 1 . 1 49 49 GLY CA C 13 46.971 0.034 . 1 . . . . A 49 GLY CA . 34523 1 342 . 1 . 1 49 49 GLY N N 15 108.602 0.059 . 1 . . . . A 49 GLY N . 34523 1 343 . 1 . 1 50 50 LEU H H 1 8.612 0.004 . 1 . . . . A 50 LEU H . 34523 1 344 . 1 . 1 50 50 LEU HA H 1 4.163 0.009 . 1 . . . . A 50 LEU HA . 34523 1 345 . 1 . 1 50 50 LEU HB2 H 1 1.466 0.005 . 2 . . . . A 50 LEU HB2 . 34523 1 346 . 1 . 1 50 50 LEU HB3 H 1 1.709 0.011 . 2 . . . . A 50 LEU HB3 . 34523 1 347 . 1 . 1 50 50 LEU HD11 H 1 0.866 0.006 . 2 . . . . A 50 LEU HD11 . 34523 1 348 . 1 . 1 50 50 LEU HD12 H 1 0.866 0.006 . 2 . . . . A 50 LEU HD12 . 34523 1 349 . 1 . 1 50 50 LEU HD13 H 1 0.866 0.006 . 2 . . . . A 50 LEU HD13 . 34523 1 350 . 1 . 1 50 50 LEU HD21 H 1 0.884 0.003 . 2 . . . . A 50 LEU HD21 . 34523 1 351 . 1 . 1 50 50 LEU HD22 H 1 0.884 0.003 . 2 . . . . A 50 LEU HD22 . 34523 1 352 . 1 . 1 50 50 LEU HD23 H 1 0.884 0.003 . 2 . . . . A 50 LEU HD23 . 34523 1 353 . 1 . 1 50 50 LEU CB C 13 42.09 0.026 . 1 . . . . A 50 LEU CB . 34523 1 354 . 1 . 1 50 50 LEU CD1 C 13 23.413 0.02 . 2 . . . . A 50 LEU CD1 . 34523 1 355 . 1 . 1 50 50 LEU CD2 C 13 24.81 0.025 . 2 . . . . A 50 LEU CD2 . 34523 1 356 . 1 . 1 50 50 LEU N N 15 123.179 0.035 . 1 . . . . A 50 LEU N . 34523 1 357 . 1 . 1 51 51 TYR H H 1 7.785 0.002 . 1 . . . . A 51 TYR H . 34523 1 358 . 1 . 1 51 51 TYR HA H 1 4.282 0.005 . 1 . . . . A 51 TYR HA . 34523 1 359 . 1 . 1 51 51 TYR HB2 H 1 3.154 0.019 . 2 . . . . A 51 TYR HB2 . 34523 1 360 . 1 . 1 51 51 TYR HB3 H 1 3.107 0.004 . 2 . . . . A 51 TYR HB3 . 34523 1 361 . 1 . 1 51 51 TYR HD1 H 1 7.205 0.009 . 1 . . . . A 51 TYR HD1 . 34523 1 362 . 1 . 1 51 51 TYR HD2 H 1 7.205 0.009 . 1 . . . . A 51 TYR HD2 . 34523 1 363 . 1 . 1 51 51 TYR HE1 H 1 6.769 0.003 . 1 . . . . A 51 TYR HE1 . 34523 1 364 . 1 . 1 51 51 TYR HE2 H 1 6.769 0.003 . 1 . . . . A 51 TYR HE2 . 34523 1 365 . 1 . 1 51 51 TYR CA C 13 60.228 0.061 . 1 . . . . A 51 TYR CA . 34523 1 366 . 1 . 1 51 51 TYR CB C 13 38.863 0.102 . 1 . . . . A 51 TYR CB . 34523 1 367 . 1 . 1 51 51 TYR CD1 C 13 133.611 0.117 . 1 . . . . A 51 TYR CD1 . 34523 1 368 . 1 . 1 51 51 TYR CD2 C 13 133.611 0.117 . 1 . . . . A 51 TYR CD2 . 34523 1 369 . 1 . 1 51 51 TYR CE1 C 13 118.37 0.064 . 1 . . . . A 51 TYR CE1 . 34523 1 370 . 1 . 1 51 51 TYR CE2 C 13 118.37 0.064 . 1 . . . . A 51 TYR CE2 . 34523 1 371 . 1 . 1 51 51 TYR N N 15 118.227 0.079 . 1 . . . . A 51 TYR N . 34523 1 372 . 1 . 1 52 52 HIS H H 1 8.23 0.005 . 1 . . . . A 52 HIS H . 34523 1 373 . 1 . 1 52 52 HIS HA H 1 4.64 0.003 . 1 . . . . A 52 HIS HA . 34523 1 374 . 1 . 1 52 52 HIS HB2 H 1 3.305 0.012 . 1 . . . . A 52 HIS HB2 . 34523 1 375 . 1 . 1 52 52 HIS CB C 13 28.982 0.051 . 1 . . . . A 52 HIS CB . 34523 1 376 . 1 . 1 52 52 HIS N N 15 118.366 0.087 . 1 . . . . A 52 HIS N . 34523 1 377 . 1 . 1 53 53 LYS H H 1 8.234 0.003 . 1 . . . . A 53 LYS H . 34523 1 378 . 1 . 1 53 53 LYS HA H 1 4.188 0.006 . 1 . . . . A 53 LYS HA . 34523 1 379 . 1 . 1 53 53 LYS HB2 H 1 1.961 0.009 . 1 . . . . A 53 LYS HB2 . 34523 1 380 . 1 . 1 53 53 LYS HG2 H 1 1.466 0.017 . 2 . . . . A 53 LYS HG2 . 34523 1 381 . 1 . 1 53 53 LYS HG3 H 1 1.532 0.008 . 2 . . . . A 53 LYS HG3 . 34523 1 382 . 1 . 1 53 53 LYS HD2 H 1 1.721 0.008 . 2 . . . . A 53 LYS HD2 . 34523 1 383 . 1 . 1 53 53 LYS HD3 H 1 1.759 0.008 . 2 . . . . A 53 LYS HD3 . 34523 1 384 . 1 . 1 53 53 LYS HE2 H 1 3.047 0.016 . 1 . . . . A 53 LYS HE2 . 34523 1 385 . 1 . 1 53 53 LYS CA C 13 57.747 0.134 . 1 . . . . A 53 LYS CA . 34523 1 386 . 1 . 1 53 53 LYS CB C 13 32.696 0.02 . 1 . . . . A 53 LYS CB . 34523 1 387 . 1 . 1 53 53 LYS CG C 13 24.704 0.017 . 1 . . . . A 53 LYS CG . 34523 1 388 . 1 . 1 53 53 LYS CD C 13 29.217 0.021 . 1 . . . . A 53 LYS CD . 34523 1 389 . 1 . 1 53 53 LYS CE C 13 42.137 0.06 . 1 . . . . A 53 LYS CE . 34523 1 390 . 1 . 1 53 53 LYS N N 15 121.193 0.092 . 1 . . . . A 53 LYS N . 34523 1 391 . 1 . 1 54 54 MET H H 1 8.158 0.008 . 1 . . . . A 54 MET H . 34523 1 392 . 1 . 1 54 54 MET HA H 1 4.409 0.003 . 1 . . . . A 54 MET HA . 34523 1 393 . 1 . 1 54 54 MET HB2 H 1 2.574 0.007 . 2 . . . . A 54 MET HB2 . 34523 1 394 . 1 . 1 54 54 MET HB3 H 1 2.653 0.004 . 2 . . . . A 54 MET HB3 . 34523 1 395 . 1 . 1 54 54 MET CA C 13 56.44 0.019 . 1 . . . . A 54 MET CA . 34523 1 396 . 1 . 1 54 54 MET CB C 13 31.932 0.078 . 1 . . . . A 54 MET CB . 34523 1 397 . 1 . 1 54 54 MET N N 15 117.425 0.068 . 1 . . . . A 54 MET N . 34523 1 398 . 1 . 1 55 55 ASN H H 1 8.294 0.007 . 1 . . . . A 55 ASN H . 34523 1 399 . 1 . 1 55 55 ASN HA H 1 4.786 0.016 . 1 . . . . A 55 ASN HA . 34523 1 400 . 1 . 1 55 55 ASN HB2 H 1 2.714 0.004 . 2 . . . . A 55 ASN HB2 . 34523 1 401 . 1 . 1 55 55 ASN HB3 H 1 2.521 0.004 . 2 . . . . A 55 ASN HB3 . 34523 1 402 . 1 . 1 55 55 ASN HD21 H 1 6.856 0.007 . 1 . . . . A 55 ASN HD21 . 34523 1 403 . 1 . 1 55 55 ASN HD22 H 1 6.513 0.004 . 1 . . . . A 55 ASN HD22 . 34523 1 404 . 1 . 1 55 55 ASN CA C 13 53.555 0 . 1 . . . . A 55 ASN CA . 34523 1 405 . 1 . 1 55 55 ASN CB C 13 39.812 0.042 . 1 . . . . A 55 ASN CB . 34523 1 406 . 1 . 1 55 55 ASN N N 15 115.785 0.043 . 1 . . . . A 55 ASN N . 34523 1 407 . 1 . 1 55 55 ASN ND2 N 15 112.764 0.036 . 1 . . . . A 55 ASN ND2 . 34523 1 408 . 1 . 1 56 56 GLY H H 1 8.419 0.011 . 1 . . . . A 56 GLY H . 34523 1 409 . 1 . 1 56 56 GLY HA2 H 1 3.723 0.013 . 2 . . . . A 56 GLY HA2 . 34523 1 410 . 1 . 1 56 56 GLY HA3 H 1 3.977 0.01 . 2 . . . . A 56 GLY HA3 . 34523 1 411 . 1 . 1 56 56 GLY CA C 13 45.757 0.041 . 1 . . . . A 56 GLY CA . 34523 1 412 . 1 . 1 56 56 GLY N N 15 108.869 0.098 . 1 . . . . A 56 GLY N . 34523 1 413 . 1 . 1 57 57 GLN H H 1 7.643 0.008 . 1 . . . . A 57 GLN H . 34523 1 414 . 1 . 1 57 57 GLN HA H 1 4.513 0.021 . 1 . . . . A 57 GLN HA . 34523 1 415 . 1 . 1 57 57 GLN HB2 H 1 1.951 0.004 . 2 . . . . A 57 GLN HB2 . 34523 1 416 . 1 . 1 57 57 GLN HB3 H 1 2.269 0.004 . 2 . . . . A 57 GLN HB3 . 34523 1 417 . 1 . 1 57 57 GLN HG2 H 1 2.394 0.006 . 1 . . . . A 57 GLN HG2 . 34523 1 418 . 1 . 1 57 57 GLN HE21 H 1 8.706 0.005 . 1 . . . . A 57 GLN HE21 . 34523 1 419 . 1 . 1 57 57 GLN HE22 H 1 7.381 0.013 . 1 . . . . A 57 GLN HE22 . 34523 1 420 . 1 . 1 57 57 GLN CA C 13 54.507 0.03 . 1 . . . . A 57 GLN CA . 34523 1 421 . 1 . 1 57 57 GLN CB C 13 31.024 0.015 . 1 . . . . A 57 GLN CB . 34523 1 422 . 1 . 1 57 57 GLN CG C 13 33.507 0.034 . 1 . . . . A 57 GLN CG . 34523 1 423 . 1 . 1 57 57 GLN N N 15 116.391 0.055 . 1 . . . . A 57 GLN N . 34523 1 424 . 1 . 1 57 57 GLN NE2 N 15 117.401 0.075 . 1 . . . . A 57 GLN NE2 . 34523 1 425 . 1 . 1 58 58 ASN H H 1 8.619 0.005 . 1 . . . . A 58 ASN H . 34523 1 426 . 1 . 1 58 58 ASN HA H 1 4.849 0.018 . 1 . . . . A 58 ASN HA . 34523 1 427 . 1 . 1 58 58 ASN HB2 H 1 2.801 0.007 . 2 . . . . A 58 ASN HB2 . 34523 1 428 . 1 . 1 58 58 ASN HB3 H 1 2.74 0.007 . 2 . . . . A 58 ASN HB3 . 34523 1 429 . 1 . 1 58 58 ASN HD21 H 1 6.992 0.014 . 1 . . . . A 58 ASN HD21 . 34523 1 430 . 1 . 1 58 58 ASN HD22 H 1 7.683 0.013 . 1 . . . . A 58 ASN HD22 . 34523 1 431 . 1 . 1 58 58 ASN CA C 13 52.95 0.137 . 1 . . . . A 58 ASN CA . 34523 1 432 . 1 . 1 58 58 ASN CB C 13 38.827 0.013 . 1 . . . . A 58 ASN CB . 34523 1 433 . 1 . 1 58 58 ASN N N 15 118.055 0.057 . 1 . . . . A 58 ASN N . 34523 1 434 . 1 . 1 58 58 ASN ND2 N 15 113.232 0.066 . 1 . . . . A 58 ASN ND2 . 34523 1 435 . 1 . 1 60 60 PRO HA H 1 4.412 0.005 . 1 . . . . A 60 PRO HA . 34523 1 436 . 1 . 1 60 60 PRO HB2 H 1 1.866 0.009 . 2 . . . . A 60 PRO HB2 . 34523 1 437 . 1 . 1 60 60 PRO HB3 H 1 2.283 0.003 . 2 . . . . A 60 PRO HB3 . 34523 1 438 . 1 . 1 60 60 PRO HG2 H 1 1.678 0.013 . 2 . . . . A 60 PRO HG2 . 34523 1 439 . 1 . 1 60 60 PRO HG3 H 1 2.014 0.002 . 2 . . . . A 60 PRO HG3 . 34523 1 440 . 1 . 1 60 60 PRO HD2 H 1 3.753 0.003 . 2 . . . . A 60 PRO HD2 . 34523 1 441 . 1 . 1 60 60 PRO HD3 H 1 3.36 0.007 . 2 . . . . A 60 PRO HD3 . 34523 1 442 . 1 . 1 60 60 PRO CA C 13 62.76 0.058 . 1 . . . . A 60 PRO CA . 34523 1 443 . 1 . 1 60 60 PRO CB C 13 32.128 0.017 . 1 . . . . A 60 PRO CB . 34523 1 444 . 1 . 1 60 60 PRO CG C 13 26.942 0.048 . 1 . . . . A 60 PRO CG . 34523 1 445 . 1 . 1 60 60 PRO CD C 13 51.122 0.035 . 1 . . . . A 60 PRO CD . 34523 1 446 . 1 . 1 61 61 LEU H H 1 8.372 0.009 . 1 . . . . A 61 LEU H . 34523 1 447 . 1 . 1 61 61 LEU HA H 1 4.4 0.011 . 1 . . . . A 61 LEU HA . 34523 1 448 . 1 . 1 61 61 LEU CA C 13 54.612 0.058 . 1 . . . . A 61 LEU CA . 34523 1 449 . 1 . 1 61 61 LEU N N 15 122.396 0.082 . 1 . . . . A 61 LEU N . 34523 1 450 . 1 . 1 62 62 ILE H H 1 8.071 0.005 . 1 . . . . A 62 ILE H . 34523 1 451 . 1 . 1 62 62 ILE HA H 1 4.212 0.009 . 1 . . . . A 62 ILE HA . 34523 1 452 . 1 . 1 62 62 ILE HB H 1 1.895 0.006 . 1 . . . . A 62 ILE HB . 34523 1 453 . 1 . 1 62 62 ILE HG21 H 1 0.929 0.009 . 1 . . . . A 62 ILE HG21 . 34523 1 454 . 1 . 1 62 62 ILE HG22 H 1 0.929 0.009 . 1 . . . . A 62 ILE HG22 . 34523 1 455 . 1 . 1 62 62 ILE HG23 H 1 0.929 0.009 . 1 . . . . A 62 ILE HG23 . 34523 1 456 . 1 . 1 62 62 ILE HD11 H 1 0.856 0.016 . 1 . . . . A 62 ILE HD11 . 34523 1 457 . 1 . 1 62 62 ILE HD12 H 1 0.856 0.016 . 1 . . . . A 62 ILE HD12 . 34523 1 458 . 1 . 1 62 62 ILE HD13 H 1 0.856 0.016 . 1 . . . . A 62 ILE HD13 . 34523 1 459 . 1 . 1 62 62 ILE CA C 13 60.833 0.013 . 1 . . . . A 62 ILE CA . 34523 1 460 . 1 . 1 62 62 ILE CB C 13 38.665 0.021 . 1 . . . . A 62 ILE CB . 34523 1 461 . 1 . 1 62 62 ILE CG2 C 13 17.441 0.006 . 1 . . . . A 62 ILE CG2 . 34523 1 462 . 1 . 1 62 62 ILE CD1 C 13 12.653 0.029 . 1 . . . . A 62 ILE CD1 . 34523 1 463 . 1 . 1 62 62 ILE N N 15 122.109 0.068 . 1 . . . . A 62 ILE N . 34523 1 464 . 1 . 1 63 63 LYS H H 1 7.996 0.005 . 1 . . . . A 63 LYS H . 34523 1 465 . 1 . 1 63 63 LYS HA H 1 4.198 0.005 . 1 . . . . A 63 LYS HA . 34523 1 466 . 1 . 1 63 63 LYS HB2 H 1 1.739 0.005 . 2 . . . . A 63 LYS HB2 . 34523 1 467 . 1 . 1 63 63 LYS HB3 H 1 1.833 0.006 . 2 . . . . A 63 LYS HB3 . 34523 1 468 . 1 . 1 63 63 LYS HG2 H 1 1.405 0.006 . 1 . . . . A 63 LYS HG2 . 34523 1 469 . 1 . 1 63 63 LYS HE2 H 1 3.025 0.007 . 1 . . . . A 63 LYS HE2 . 34523 1 470 . 1 . 1 63 63 LYS CA C 13 57.683 0.037 . 1 . . . . A 63 LYS CA . 34523 1 471 . 1 . 1 63 63 LYS CB C 13 33.777 0.013 . 1 . . . . A 63 LYS CB . 34523 1 472 . 1 . 1 63 63 LYS CG C 13 24.692 0.056 . 1 . . . . A 63 LYS CG . 34523 1 473 . 1 . 1 63 63 LYS CE C 13 42.174 0.023 . 1 . . . . A 63 LYS CE . 34523 1 474 . 1 . 1 63 63 LYS N N 15 130.508 0.025 . 1 . . . . A 63 LYS N . 34523 1 stop_ save_