data_4571 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4571 _Entry.Title ; Zinc-bundle Structure of the Essential RNA Polymerase Subunit RPB10 from Methanobacterium thermoautotrophicum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-01-13 _Entry.Accession_date 2000-01-14 _Entry.Last_release_date 2000-12-19 _Entry.Original_release_date 2000-12-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cameron Mackereth . D. . 4571 2 Cheryl Arrowsmith . H. . 4571 3 Aled Edwards . M. . 4571 4 Lawrence McIntosh . P. . 4571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 384 4571 '13C chemical shifts' 243 4571 '15N chemical shifts' 54 4571 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 . . 2000-12-19 2000-01-13 original author . 4571 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4571 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20300898 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Mackereth, C.D., Arrowsmith, C.H., Edwards, A.M., and McIntosh, L.P., "Zinc-bundle Structure of the Essential RNA Polymerase Subunit RPB10 from Methanobacterium thermoautotrophicum," Proc. Natl. Acad. Sci. U.S.A. 97, 6316-6321 (2000). ; _Citation.Title ; Zinc-bundle Structure of the Essential RNA Polymerase Subunit RPB10 from Methanobacteriumthermoautotrophicum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 97 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6316 _Citation.Page_last 6321 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cameron Mackereth . D. . 4571 1 2 Cheryl Arrowsmith . H. . 4571 1 3 Aled Edwards . M. . 4571 1 4 Lawrence McIntosh . P. . 4571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_RPB10_system _Assembly.Sf_category assembly _Assembly.Sf_framecode RPB10_system _Assembly.Entry_ID 4571 _Assembly.ID 1 _Assembly.Name RPB10 _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4571 1 stop_ 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 RPB10 1 $RPB10 . . . native . . . . . 4571 1 2 Zn(II) 2 $ZN . . . native . . . . . 4571 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RPB10 system 4571 1 RPB10 abbreviation 4571 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA polymerase subunit' 4571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RPB10 _Entity.Sf_category entity _Entity.Sf_framecode RPB10 _Entity.Entry_ID 4571 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA polymerase subunit RPB10' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMIPVRCLSCGKPVSAYF NEYQRRVADGEDPKDVLDDL GLKRYCCRRMLISHVETW ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8464 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Contains three N-terminal residues (GLY-SER-HIS) resulting from thrombin cleavage of His-tag ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EF4 . "Solution Structure Of The Essential Rna Polymerase Subunit Rpb10 From Methanobacterium Thermoautotrophicum" . . . . . 93.10 55 100.00 100.00 3.12e-31 . . . . 4571 1 2 no GB AAB84548 . "DNA-dependent RNA polymerase, subunit N [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 94.83 55 100.00 100.00 4.10e-32 . . . . 4571 1 3 no GB ADL58125 . "DNA-directed RNA polymerase subunit N [Methanothermobacter marburgensis str. Marburg]" . . . . . 94.83 55 98.18 100.00 8.38e-32 . . . . 4571 1 4 no REF WP_010875681 . "DNA-directed RNA polymerase subunit N [Methanothermobacter thermautotrophicus]" . . . . . 94.83 55 100.00 100.00 4.10e-32 . . . . 4571 1 5 no REF WP_013295349 . "DNA-directed RNA polymerase subunit N [Methanothermobacter marburgensis]" . . . . . 94.83 55 98.18 100.00 8.38e-32 . . . . 4571 1 6 no SP O26147 . "RecName: Full=DNA-directed RNA polymerase subunit N; AltName: Full=RPB10" . . . . . 94.83 55 100.00 100.00 4.10e-32 . . . . 4571 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA polymerase subunit RPB10' common 4571 1 RPB10 abbreviation 4571 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 . GLY . 4571 1 2 . SER . 4571 1 3 . HIS . 4571 1 4 . MET . 4571 1 5 . ILE . 4571 1 6 . PRO . 4571 1 7 . VAL . 4571 1 8 . ARG . 4571 1 9 . CYS . 4571 1 10 . LEU . 4571 1 11 . SER . 4571 1 12 . CYS . 4571 1 13 . GLY . 4571 1 14 . LYS . 4571 1 15 . PRO . 4571 1 16 . VAL . 4571 1 17 . SER . 4571 1 18 . ALA . 4571 1 19 . TYR . 4571 1 20 . PHE . 4571 1 21 . ASN . 4571 1 22 . GLU . 4571 1 23 . TYR . 4571 1 24 . GLN . 4571 1 25 . ARG . 4571 1 26 . ARG . 4571 1 27 . VAL . 4571 1 28 . ALA . 4571 1 29 . ASP . 4571 1 30 . GLY . 4571 1 31 . GLU . 4571 1 32 . ASP . 4571 1 33 . PRO . 4571 1 34 . LYS . 4571 1 35 . ASP . 4571 1 36 . VAL . 4571 1 37 . LEU . 4571 1 38 . ASP . 4571 1 39 . ASP . 4571 1 40 . LEU . 4571 1 41 . GLY . 4571 1 42 . LEU . 4571 1 43 . LYS . 4571 1 44 . ARG . 4571 1 45 . TYR . 4571 1 46 . CYS . 4571 1 47 . CYS . 4571 1 48 . ARG . 4571 1 49 . ARG . 4571 1 50 . MET . 4571 1 51 . LEU . 4571 1 52 . ILE . 4571 1 53 . SER . 4571 1 54 . HIS . 4571 1 55 . VAL . 4571 1 56 . GLU . 4571 1 57 . THR . 4571 1 58 . TRP . 4571 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4571 1 . SER 2 2 4571 1 . HIS 3 3 4571 1 . MET 4 4 4571 1 . ILE 5 5 4571 1 . PRO 6 6 4571 1 . VAL 7 7 4571 1 . ARG 8 8 4571 1 . CYS 9 9 4571 1 . LEU 10 10 4571 1 . SER 11 11 4571 1 . CYS 12 12 4571 1 . GLY 13 13 4571 1 . LYS 14 14 4571 1 . PRO 15 15 4571 1 . VAL 16 16 4571 1 . SER 17 17 4571 1 . ALA 18 18 4571 1 . TYR 19 19 4571 1 . PHE 20 20 4571 1 . ASN 21 21 4571 1 . GLU 22 22 4571 1 . TYR 23 23 4571 1 . GLN 24 24 4571 1 . ARG 25 25 4571 1 . ARG 26 26 4571 1 . VAL 27 27 4571 1 . ALA 28 28 4571 1 . ASP 29 29 4571 1 . GLY 30 30 4571 1 . GLU 31 31 4571 1 . ASP 32 32 4571 1 . PRO 33 33 4571 1 . LYS 34 34 4571 1 . ASP 35 35 4571 1 . VAL 36 36 4571 1 . LEU 37 37 4571 1 . ASP 38 38 4571 1 . ASP 39 39 4571 1 . LEU 40 40 4571 1 . GLY 41 41 4571 1 . LEU 42 42 4571 1 . LYS 43 43 4571 1 . ARG 44 44 4571 1 . TYR 45 45 4571 1 . CYS 46 46 4571 1 . CYS 47 47 4571 1 . ARG 48 48 4571 1 . ARG 49 49 4571 1 . MET 50 50 4571 1 . LEU 51 51 4571 1 . ILE 52 52 4571 1 . SER 53 53 4571 1 . HIS 54 54 4571 1 . VAL 55 55 4571 1 . GLU 56 56 4571 1 . THR 57 57 4571 1 . TRP 58 58 4571 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4571 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 4571 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 4571 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RPB10 . 187420 organism . 'Methanobacterium thermoautotrophicum' 2166 . . archaea . Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . MT0040 . . . . 4571 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 4571 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RPB10 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET15b . . . ; The bacterial expression strain also contained a plasmid encoding three rare tRNAs (agg, aga and ata) ; . . 4571 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 4571 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:19:31 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 4571 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4571 ZN [Zn++] SMILES CACTVS 3.341 4571 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4571 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4571 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 4571 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4571 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 4571 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4571 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4571 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_N15-labelled _Sample.Sf_category sample _Sample.Sf_framecode N15-labelled _Sample.Entry_ID 4571 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'RNA polymerase subunit RPB10' '[U-100% 15N]' . . 1 $RPB10 . . 0.5 . . mM . . . . 4571 1 stop_ save_ save_C13_N15-labelled _Sample.Sf_category sample _Sample.Sf_framecode C13_N15-labelled _Sample.Entry_ID 4571 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'RNA polymerase subunit RPB10' '[U-100% 13C; U-100% 15N]' . . 1 $RPB10 . . 0.5 . . mM . . . . 4571 2 stop_ save_ save_10%_C13-labelled _Sample.Sf_category sample _Sample.Sf_framecode 10%_C13-labelled _Sample.Entry_ID 4571 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'RNA polymerase subunit RPB10' '[U-10% 13C]' . . 1 $RPB10 . . 0.5 . . mM . . . . 4571 3 stop_ save_ ####################### # Sample conditions # ####################### save_H2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode H2O _Sample_condition_list.Entry_ID 4571 _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 pH 7.5 0.2 na 4571 1 temperature 303 1 K 4571 1 stop_ save_ save_D2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode D2O _Sample_condition_list.Entry_ID 4571 _Sample_condition_list.ID 2 _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 pH* 7.1 0.2 na 4571 2 temperature 303 1 K 4571 2 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4571 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Biosym Technologies' 'San Diego,CA' . 4571 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with triple resonance probe and a pulsed field gradient accessory' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4571 _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 Varian Unity . 500 'equipped with triple resonance probe and a pulsed field gradient accessory' . . 4571 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 4571 _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 . . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4571 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4571 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4571 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4571 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4571 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts _Assigned_chem_shift_list.Entry_ID 4571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $N15-labelled . 4571 1 . . 2 $C13_N15-labelled . 4571 1 . . 3 $10%_C13-labelled . 4571 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET H H 1 8.237 0.02 . 1 . . . . . . . . 4571 1 2 . 1 1 4 4 MET HA H 1 4.399 0.02 . 1 . . . . . . . . 4571 1 3 . 1 1 4 4 MET HB2 H 1 2.422 0.02 . 2 . . . . . . . . 4571 1 4 . 1 1 4 4 MET HB3 H 1 2.25 0.02 . 2 . . . . . . . . 4571 1 5 . 1 1 4 4 MET HE1 H 1 2.053 0.02 . 1 . . . . . . . . 4571 1 6 . 1 1 4 4 MET HE2 H 1 2.053 0.02 . 1 . . . . . . . . 4571 1 7 . 1 1 4 4 MET HE3 H 1 2.053 0.02 . 1 . . . . . . . . 4571 1 8 . 1 1 4 4 MET C C 13 176.962 0.2 . 1 . . . . . . . . 4571 1 9 . 1 1 4 4 MET CA C 13 54.747 0.2 . 1 . . . . . . . . 4571 1 10 . 1 1 4 4 MET CB C 13 32.69 0.2 . 1 . . . . . . . . 4571 1 11 . 1 1 4 4 MET CG C 13 31.651 0.2 . 1 . . . . . . . . 4571 1 12 . 1 1 4 4 MET CE C 13 16.94 0.2 . 1 . . . . . . . . 4571 1 13 . 1 1 4 4 MET N N 15 120.402 0.2 . 1 . . . . . . . . 4571 1 14 . 1 1 5 5 ILE H H 1 7.979 0.02 . 1 . . . . . . . . 4571 1 15 . 1 1 5 5 ILE HA H 1 4.137 0.02 . 1 . . . . . . . . 4571 1 16 . 1 1 5 5 ILE HB H 1 1.585 0.02 . 1 . . . . . . . . 4571 1 17 . 1 1 5 5 ILE HG12 H 1 1.569 0.02 . 1 . . . . . . . . 4571 1 18 . 1 1 5 5 ILE HG13 H 1 1.569 0.02 . 1 . . . . . . . . 4571 1 19 . 1 1 5 5 ILE HG21 H 1 0.684 0.02 . 1 . . . . . . . . 4571 1 20 . 1 1 5 5 ILE HG22 H 1 0.684 0.02 . 1 . . . . . . . . 4571 1 21 . 1 1 5 5 ILE HG23 H 1 0.684 0.02 . 1 . . . . . . . . 4571 1 22 . 1 1 5 5 ILE HD11 H 1 0.742 0.02 . 1 . . . . . . . . 4571 1 23 . 1 1 5 5 ILE HD12 H 1 0.742 0.02 . 1 . . . . . . . . 4571 1 24 . 1 1 5 5 ILE HD13 H 1 0.742 0.02 . 1 . . . . . . . . 4571 1 25 . 1 1 5 5 ILE C C 13 175.378 0.2 . 1 . . . . . . . . 4571 1 26 . 1 1 5 5 ILE CA C 13 58.26 0.2 . 1 . . . . . . . . 4571 1 27 . 1 1 5 5 ILE CB C 13 38.613 0.2 . 1 . . . . . . . . 4571 1 28 . 1 1 5 5 ILE CG1 C 13 29.292 0.2 . 1 . . . . . . . . 4571 1 29 . 1 1 5 5 ILE CG2 C 13 16.852 0.2 . 1 . . . . . . . . 4571 1 30 . 1 1 5 5 ILE CD1 C 13 12.946 0.2 . 1 . . . . . . . . 4571 1 31 . 1 1 5 5 ILE N N 15 123.739 0.2 . 1 . . . . . . . . 4571 1 32 . 1 1 6 6 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 4571 1 33 . 1 1 6 6 PRO HB2 H 1 3.756 0.02 . 1 . . . . . . . . 4571 1 34 . 1 1 6 6 PRO HB3 H 1 3.756 0.02 . 1 . . . . . . . . 4571 1 35 . 1 1 6 6 PRO HG2 H 1 1.826 0.02 . 1 . . . . . . . . 4571 1 36 . 1 1 6 6 PRO HG3 H 1 2.099 0.02 . 1 . . . . . . . . 4571 1 37 . 1 1 6 6 PRO HD2 H 1 3.58 0.02 . 1 . . . . . . . . 4571 1 38 . 1 1 6 6 PRO HD3 H 1 3.18 0.02 . 1 . . . . . . . . 4571 1 39 . 1 1 6 6 PRO CA C 13 62.658 0.2 . 1 . . . . . . . . 4571 1 40 . 1 1 6 6 PRO CB C 13 32.013 0.2 . 1 . . . . . . . . 4571 1 41 . 1 1 6 6 PRO CG C 13 27.012 0.2 . 1 . . . . . . . . 4571 1 42 . 1 1 6 6 PRO CD C 13 50.52 0.2 . 1 . . . . . . . . 4571 1 43 . 1 1 7 7 VAL H H 1 7.96 0.02 . 1 . . . . . . . . 4571 1 44 . 1 1 7 7 VAL HA H 1 3.965 0.02 . 1 . . . . . . . . 4571 1 45 . 1 1 7 7 VAL HB H 1 1.86 0.02 . 1 . . . . . . . . 4571 1 46 . 1 1 7 7 VAL HG11 H 1 0.852 0.02 . 1 . . . . . . . . 4571 1 47 . 1 1 7 7 VAL HG12 H 1 0.852 0.02 . 1 . . . . . . . . 4571 1 48 . 1 1 7 7 VAL HG13 H 1 0.852 0.02 . 1 . . . . . . . . 4571 1 49 . 1 1 7 7 VAL HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4571 1 50 . 1 1 7 7 VAL HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4571 1 51 . 1 1 7 7 VAL HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4571 1 52 . 1 1 7 7 VAL C C 13 175.728 0.2 . 1 . . . . . . . . 4571 1 53 . 1 1 7 7 VAL CA C 13 63.086 0.2 . 1 . . . . . . . . 4571 1 54 . 1 1 7 7 VAL CB C 13 32.58 0.2 . 1 . . . . . . . . 4571 1 55 . 1 1 7 7 VAL CG1 C 13 21.412 0.2 . 1 . . . . . . . . 4571 1 56 . 1 1 7 7 VAL CG2 C 13 20.788 0.2 . 1 . . . . . . . . 4571 1 57 . 1 1 7 7 VAL N N 15 118.551 0.2 . 1 . . . . . . . . 4571 1 58 . 1 1 8 8 ARG H H 1 7.858 0.02 . 1 . . . . . . . . 4571 1 59 . 1 1 8 8 ARG HA H 1 4.899 0.02 . 1 . . . . . . . . 4571 1 60 . 1 1 8 8 ARG HB2 H 1 1.417 0.02 . 1 . . . . . . . . 4571 1 61 . 1 1 8 8 ARG HB3 H 1 1.417 0.02 . 1 . . . . . . . . 4571 1 62 . 1 1 8 8 ARG HG2 H 1 1.411 0.02 . 2 . . . . . . . . 4571 1 63 . 1 1 8 8 ARG HG3 H 1 1.28 0.02 . 2 . . . . . . . . 4571 1 64 . 1 1 8 8 ARG HD2 H 1 3.117 0.02 . 1 . . . . . . . . 4571 1 65 . 1 1 8 8 ARG HD3 H 1 3.117 0.02 . 1 . . . . . . . . 4571 1 66 . 1 1 8 8 ARG C C 13 176.386 0.2 . 1 . . . . . . . . 4571 1 67 . 1 1 8 8 ARG CA C 13 53.801 0.2 . 1 . . . . . . . . 4571 1 68 . 1 1 8 8 ARG CB C 13 33.274 0.2 . 1 . . . . . . . . 4571 1 69 . 1 1 8 8 ARG CG C 13 27.595 0.2 . 1 . . . . . . . . 4571 1 70 . 1 1 8 8 ARG CD C 13 43.187 0.2 . 1 . . . . . . . . 4571 1 71 . 1 1 8 8 ARG N N 15 120.572 0.2 . 1 . . . . . . . . 4571 1 72 . 1 1 9 9 CYS H H 1 8.813 0.02 . 1 . . . . . . . . 4571 1 73 . 1 1 9 9 CYS HA H 1 4.155 0.02 . 1 . . . . . . . . 4571 1 74 . 1 1 9 9 CYS HB2 H 1 3.058 0.02 . 2 . . . . . . . . 4571 1 75 . 1 1 9 9 CYS HB3 H 1 3.148 0.02 . 2 . . . . . . . . 4571 1 76 . 1 1 9 9 CYS C C 13 174.458 0.2 . 1 . . . . . . . . 4571 1 77 . 1 1 9 9 CYS CA C 13 60.35 0.2 . 1 . . . . . . . . 4571 1 78 . 1 1 9 9 CYS CB C 13 30.995 0.2 . 1 . . . . . . . . 4571 1 79 . 1 1 9 9 CYS N N 15 123.815 0.2 . 1 . . . . . . . . 4571 1 80 . 1 1 10 10 LEU H H 1 7.957 0.02 . 1 . . . . . . . . 4571 1 81 . 1 1 10 10 LEU HA H 1 4.089 0.02 . 1 . . . . . . . . 4571 1 82 . 1 1 10 10 LEU HB2 H 1 1.764 0.02 . 1 . . . . . . . . 4571 1 83 . 1 1 10 10 LEU HB3 H 1 1.652 0.02 . 1 . . . . . . . . 4571 1 84 . 1 1 10 10 LEU HG H 1 1.749 0.02 . 1 . . . . . . . . 4571 1 85 . 1 1 10 10 LEU HD11 H 1 0.974 0.02 . 1 . . . . . . . . 4571 1 86 . 1 1 10 10 LEU HD12 H 1 0.974 0.02 . 1 . . . . . . . . 4571 1 87 . 1 1 10 10 LEU HD13 H 1 0.974 0.02 . 1 . . . . . . . . 4571 1 88 . 1 1 10 10 LEU HD21 H 1 0.927 0.02 . 1 . . . . . . . . 4571 1 89 . 1 1 10 10 LEU HD22 H 1 0.927 0.02 . 1 . . . . . . . . 4571 1 90 . 1 1 10 10 LEU HD23 H 1 0.927 0.02 . 1 . . . . . . . . 4571 1 91 . 1 1 10 10 LEU C C 13 178.268 0.2 . 1 . . . . . . . . 4571 1 92 . 1 1 10 10 LEU CA C 13 57.125 0.2 . 1 . . . . . . . . 4571 1 93 . 1 1 10 10 LEU CB C 13 42.099 0.2 . 1 . . . . . . . . 4571 1 94 . 1 1 10 10 LEU CG C 13 27.325 0.2 . 1 . . . . . . . . 4571 1 95 . 1 1 10 10 LEU CD1 C 13 25.031 0.2 . 1 . . . . . . . . 4571 1 96 . 1 1 10 10 LEU CD2 C 13 23.222 0.2 . 1 . . . . . . . . 4571 1 97 . 1 1 10 10 LEU N N 15 130.843 0.2 . 1 . . . . . . . . 4571 1 98 . 1 1 11 11 SER H H 1 9.045 0.02 . 1 . . . . . . . . 4571 1 99 . 1 1 11 11 SER HA H 1 4.586 0.02 . 1 . . . . . . . . 4571 1 100 . 1 1 11 11 SER HB2 H 1 3.917 0.02 . 2 . . . . . . . . 4571 1 101 . 1 1 11 11 SER HB3 H 1 3.857 0.02 . 2 . . . . . . . . 4571 1 102 . 1 1 11 11 SER C C 13 177.443 0.2 . 1 . . . . . . . . 4571 1 103 . 1 1 11 11 SER CA C 13 60.554 0.2 . 1 . . . . . . . . 4571 1 104 . 1 1 11 11 SER CB C 13 63.557 0.2 . 1 . . . . . . . . 4571 1 105 . 1 1 11 11 SER N N 15 116.442 0.2 . 1 . . . . . . . . 4571 1 106 . 1 1 12 12 CYS H H 1 8.332 0.02 . 1 . . . . . . . . 4571 1 107 . 1 1 12 12 CYS HA H 1 4.906 0.02 . 1 . . . . . . . . 4571 1 108 . 1 1 12 12 CYS HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4571 1 109 . 1 1 12 12 CYS HB3 H 1 2.804 0.02 . 2 . . . . . . . . 4571 1 110 . 1 1 12 12 CYS C C 13 175.245 0.2 . 1 . . . . . . . . 4571 1 111 . 1 1 12 12 CYS CA C 13 58.798 0.2 . 1 . . . . . . . . 4571 1 112 . 1 1 12 12 CYS CB C 13 32.123 0.2 . 1 . . . . . . . . 4571 1 113 . 1 1 12 12 CYS N N 15 119.781 0.2 . 1 . . . . . . . . 4571 1 114 . 1 1 13 13 GLY H H 1 7.672 0.02 . 1 . . . . . . . . 4571 1 115 . 1 1 13 13 GLY HA2 H 1 4.194 0.02 . 2 . . . . . . . . 4571 1 116 . 1 1 13 13 GLY HA3 H 1 3.782 0.02 . 2 . . . . . . . . 4571 1 117 . 1 1 13 13 GLY C C 13 177.132 0.2 . 1 . . . . . . . . 4571 1 118 . 1 1 13 13 GLY CA C 13 46.142 0.2 . 1 . . . . . . . . 4571 1 119 . 1 1 13 13 GLY N N 15 112.667 0.2 . 1 . . . . . . . . 4571 1 120 . 1 1 14 14 LYS H H 1 8.597 0.02 . 1 . . . . . . . . 4571 1 121 . 1 1 14 14 LYS HA H 1 4.471 0.02 . 1 . . . . . . . . 4571 1 122 . 1 1 14 14 LYS HB2 H 1 1.906 0.02 . 1 . . . . . . . . 4571 1 123 . 1 1 14 14 LYS HB3 H 1 1.906 0.02 . 1 . . . . . . . . 4571 1 124 . 1 1 14 14 LYS HG2 H 1 1.697 0.02 . 1 . . . . . . . . 4571 1 125 . 1 1 14 14 LYS HG3 H 1 1.697 0.02 . 1 . . . . . . . . 4571 1 126 . 1 1 14 14 LYS HD2 H 1 1.456 0.02 . 2 . . . . . . . . 4571 1 127 . 1 1 14 14 LYS HD3 H 1 1.494 0.02 . 2 . . . . . . . . 4571 1 128 . 1 1 14 14 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4571 1 129 . 1 1 14 14 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4571 1 130 . 1 1 14 14 LYS C C 13 173.561 0.2 . 1 . . . . . . . . 4571 1 131 . 1 1 14 14 LYS CA C 13 55.619 0.2 . 1 . . . . . . . . 4571 1 132 . 1 1 14 14 LYS CB C 13 33.313 0.2 . 1 . . . . . . . . 4571 1 133 . 1 1 14 14 LYS CG C 13 52.989 0.2 . 1 . . . . . . . . 4571 1 134 . 1 1 14 14 LYS CD C 13 25.466 0.2 . 1 . . . . . . . . 4571 1 135 . 1 1 14 14 LYS CE C 13 42.714 0.2 . 1 . . . . . . . . 4571 1 136 . 1 1 14 14 LYS N N 15 125.419 0.2 . 1 . . . . . . . . 4571 1 137 . 1 1 15 15 PRO HA H 1 4.774 0.02 . 1 . . . . . . . . 4571 1 138 . 1 1 15 15 PRO HB2 H 1 2.11 0.02 . 1 . . . . . . . . 4571 1 139 . 1 1 15 15 PRO HB3 H 1 2.11 0.02 . 1 . . . . . . . . 4571 1 140 . 1 1 15 15 PRO HG2 H 1 2.225 0.02 . 1 . . . . . . . . 4571 1 141 . 1 1 15 15 PRO HG3 H 1 2.225 0.02 . 1 . . . . . . . . 4571 1 142 . 1 1 15 15 PRO HD2 H 1 4.042 0.02 . 2 . . . . . . . . 4571 1 143 . 1 1 15 15 PRO HD3 H 1 3.702 0.02 . 2 . . . . . . . . 4571 1 144 . 1 1 15 15 PRO CA C 13 63.462 0.2 . 1 . . . . . . . . 4571 1 145 . 1 1 15 15 PRO CB C 13 32.101 0.2 . 1 . . . . . . . . 4571 1 146 . 1 1 15 15 PRO CG C 13 27.919 0.2 . 1 . . . . . . . . 4571 1 147 . 1 1 15 15 PRO CD C 13 50.918 0.2 . 1 . . . . . . . . 4571 1 148 . 1 1 16 16 VAL H H 1 8.464 0.02 . 1 . . . . . . . . 4571 1 149 . 1 1 16 16 VAL HA H 1 4.759 0.02 . 1 . . . . . . . . 4571 1 150 . 1 1 16 16 VAL HB H 1 2.338 0.02 . 1 . . . . . . . . 4571 1 151 . 1 1 16 16 VAL HG11 H 1 0.926 0.02 . 1 . . . . . . . . 4571 1 152 . 1 1 16 16 VAL HG12 H 1 0.926 0.02 . 1 . . . . . . . . 4571 1 153 . 1 1 16 16 VAL HG13 H 1 0.926 0.02 . 1 . . . . . . . . 4571 1 154 . 1 1 16 16 VAL HG21 H 1 0.61 0.02 . 1 . . . . . . . . 4571 1 155 . 1 1 16 16 VAL HG22 H 1 0.61 0.02 . 1 . . . . . . . . 4571 1 156 . 1 1 16 16 VAL HG23 H 1 0.61 0.02 . 1 . . . . . . . . 4571 1 157 . 1 1 16 16 VAL C C 13 177.913 0.2 . 1 . . . . . . . . 4571 1 158 . 1 1 16 16 VAL CA C 13 61.402 0.2 . 1 . . . . . . . . 4571 1 159 . 1 1 16 16 VAL CB C 13 33.907 0.2 . 1 . . . . . . . . 4571 1 160 . 1 1 16 16 VAL CG1 C 13 21.669 0.2 . 1 . . . . . . . . 4571 1 161 . 1 1 16 16 VAL CG2 C 13 19.125 0.2 . 1 . . . . . . . . 4571 1 162 . 1 1 16 16 VAL N N 15 115.589 0.2 . 1 . . . . . . . . 4571 1 163 . 1 1 17 17 SER H H 1 7.56 0.02 . 1 . . . . . . . . 4571 1 164 . 1 1 17 17 SER HA H 1 4.75 0.02 . 1 . . . . . . . . 4571 1 165 . 1 1 17 17 SER HB2 H 1 3.372 0.02 . 1 . . . . . . . . 4571 1 166 . 1 1 17 17 SER HB3 H 1 3.759 0.02 . 1 . . . . . . . . 4571 1 167 . 1 1 17 17 SER C C 13 176.52 0.2 . 1 . . . . . . . . 4571 1 168 . 1 1 17 17 SER CA C 13 60.979 0.2 . 1 . . . . . . . . 4571 1 169 . 1 1 17 17 SER CB C 13 62.355 0.2 . 1 . . . . . . . . 4571 1 170 . 1 1 17 17 SER N N 15 116.453 0.2 . 1 . . . . . . . . 4571 1 171 . 1 1 18 18 ALA HA H 1 4.086 0.02 . 1 . . . . . . . . 4571 1 172 . 1 1 18 18 ALA HB1 H 1 1.056 0.02 . 1 . . . . . . . . 4571 1 173 . 1 1 18 18 ALA HB2 H 1 1.056 0.02 . 1 . . . . . . . . 4571 1 174 . 1 1 18 18 ALA HB3 H 1 1.056 0.02 . 1 . . . . . . . . 4571 1 175 . 1 1 18 18 ALA CA C 13 54.392 0.2 . 1 . . . . . . . . 4571 1 176 . 1 1 18 18 ALA CB C 13 18.031 0.2 . 1 . . . . . . . . 4571 1 177 . 1 1 19 19 TYR H H 1 7.288 0.02 . 1 . . . . . . . . 4571 1 178 . 1 1 19 19 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 4571 1 179 . 1 1 19 19 TYR HB2 H 1 2.785 0.02 . 1 . . . . . . . . 4571 1 180 . 1 1 19 19 TYR HB3 H 1 3.148 0.02 . 1 . . . . . . . . 4571 1 181 . 1 1 19 19 TYR HD1 H 1 7.149 0.02 . 1 . . . . . . . . 4571 1 182 . 1 1 19 19 TYR HD2 H 1 7.149 0.02 . 1 . . . . . . . . 4571 1 183 . 1 1 19 19 TYR HE1 H 1 6.915 0.02 . 1 . . . . . . . . 4571 1 184 . 1 1 19 19 TYR HE2 H 1 6.915 0.02 . 1 . . . . . . . . 4571 1 185 . 1 1 19 19 TYR C C 13 178.931 0.2 . 1 . . . . . . . . 4571 1 186 . 1 1 19 19 TYR CA C 13 58.45 0.2 . 1 . . . . . . . . 4571 1 187 . 1 1 19 19 TYR CB C 13 39.488 0.2 . 1 . . . . . . . . 4571 1 188 . 1 1 19 19 TYR CD1 C 13 133.031 0.2 . 1 . . . . . . . . 4571 1 189 . 1 1 19 19 TYR CD2 C 13 133.031 0.2 . 1 . . . . . . . . 4571 1 190 . 1 1 19 19 TYR CE1 C 13 117.692 0.2 . 1 . . . . . . . . 4571 1 191 . 1 1 19 19 TYR CE2 C 13 117.692 0.2 . 1 . . . . . . . . 4571 1 192 . 1 1 19 19 TYR N N 15 113.877 0.2 . 1 . . . . . . . . 4571 1 193 . 1 1 20 20 PHE H H 1 7.624 0.02 . 1 . . . . . . . . 4571 1 194 . 1 1 20 20 PHE HA H 1 4.084 0.02 . 1 . . . . . . . . 4571 1 195 . 1 1 20 20 PHE HB2 H 1 3.08 0.02 . 1 . . . . . . . . 4571 1 196 . 1 1 20 20 PHE HB3 H 1 3.14 0.02 . 1 . . . . . . . . 4571 1 197 . 1 1 20 20 PHE HD1 H 1 7.13 0.02 . 1 . . . . . . . . 4571 1 198 . 1 1 20 20 PHE HD2 H 1 7.13 0.02 . 1 . . . . . . . . 4571 1 199 . 1 1 20 20 PHE HE1 H 1 7 0.02 . 1 . . . . . . . . 4571 1 200 . 1 1 20 20 PHE HE2 H 1 7 0.02 . 1 . . . . . . . . 4571 1 201 . 1 1 20 20 PHE C C 13 176.353 0.2 . 1 . . . . . . . . 4571 1 202 . 1 1 20 20 PHE CA C 13 61.625 0.2 . 1 . . . . . . . . 4571 1 203 . 1 1 20 20 PHE CB C 13 39.198 0.2 . 1 . . . . . . . . 4571 1 204 . 1 1 20 20 PHE CD1 C 13 133.261 0.2 . 1 . . . . . . . . 4571 1 205 . 1 1 20 20 PHE CD2 C 13 133.261 0.2 . 1 . . . . . . . . 4571 1 206 . 1 1 20 20 PHE CE1 C 13 133.083 0.2 . 1 . . . . . . . . 4571 1 207 . 1 1 20 20 PHE CE2 C 13 133.083 0.2 . 1 . . . . . . . . 4571 1 208 . 1 1 20 20 PHE N N 15 117.279 0.2 . 1 . . . . . . . . 4571 1 209 . 1 1 21 21 ASN H H 1 8.756 0.02 . 1 . . . . . . . . 4571 1 210 . 1 1 21 21 ASN HA H 1 4.422 0.02 . 1 . . . . . . . . 4571 1 211 . 1 1 21 21 ASN HB2 H 1 2.867 0.02 . 1 . . . . . . . . 4571 1 212 . 1 1 21 21 ASN HB3 H 1 2.867 0.02 . 1 . . . . . . . . 4571 1 213 . 1 1 21 21 ASN HD21 H 1 6.937 0.02 . 1 . . . . . . . . 4571 1 214 . 1 1 21 21 ASN HD22 H 1 7.642 0.02 . 1 . . . . . . . . 4571 1 215 . 1 1 21 21 ASN C C 13 176.718 0.2 . 1 . . . . . . . . 4571 1 216 . 1 1 21 21 ASN CA C 13 56.988 0.2 . 1 . . . . . . . . 4571 1 217 . 1 1 21 21 ASN CB C 13 38.025 0.2 . 1 . . . . . . . . 4571 1 218 . 1 1 21 21 ASN N N 15 116.998 0.2 . 1 . . . . . . . . 4571 1 219 . 1 1 21 21 ASN ND2 N 15 111.856 0.2 . 1 . . . . . . . . 4571 1 220 . 1 1 22 22 GLU H H 1 8.392 0.02 . 1 . . . . . . . . 4571 1 221 . 1 1 22 22 GLU HA H 1 4.116 0.02 . 1 . . . . . . . . 4571 1 222 . 1 1 22 22 GLU HB2 H 1 2.145 0.02 . 2 . . . . . . . . 4571 1 223 . 1 1 22 22 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4571 1 224 . 1 1 22 22 GLU HG2 H 1 2.252 0.02 . 1 . . . . . . . . 4571 1 225 . 1 1 22 22 GLU HG3 H 1 2.252 0.02 . 1 . . . . . . . . 4571 1 226 . 1 1 22 22 GLU C C 13 177.969 0.2 . 1 . . . . . . . . 4571 1 227 . 1 1 22 22 GLU CA C 13 59.012 0.2 . 1 . . . . . . . . 4571 1 228 . 1 1 22 22 GLU CB C 13 29.909 0.2 . 1 . . . . . . . . 4571 1 229 . 1 1 22 22 GLU CG C 13 36.518 0.2 . 1 . . . . . . . . 4571 1 230 . 1 1 22 22 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 4571 1 231 . 1 1 23 23 TYR H H 1 8.178 0.02 . 1 . . . . . . . . 4571 1 232 . 1 1 23 23 TYR HA H 1 3.945 0.02 . 1 . . . . . . . . 4571 1 233 . 1 1 23 23 TYR HB2 H 1 3.074 0.02 . 2 . . . . . . . . 4571 1 234 . 1 1 23 23 TYR HB3 H 1 2.843 0.02 . 2 . . . . . . . . 4571 1 235 . 1 1 23 23 TYR HD1 H 1 6.702 0.02 . 1 . . . . . . . . 4571 1 236 . 1 1 23 23 TYR HD2 H 1 6.702 0.02 . 1 . . . . . . . . 4571 1 237 . 1 1 23 23 TYR HE1 H 1 6.669 0.02 . 1 . . . . . . . . 4571 1 238 . 1 1 23 23 TYR HE2 H 1 6.669 0.02 . 1 . . . . . . . . 4571 1 239 . 1 1 23 23 TYR C C 13 177.65 0.2 . 1 . . . . . . . . 4571 1 240 . 1 1 23 23 TYR CA C 13 61.688 0.2 . 1 . . . . . . . . 4571 1 241 . 1 1 23 23 TYR CB C 13 38.852 0.2 . 1 . . . . . . . . 4571 1 242 . 1 1 23 23 TYR CD1 C 13 132.481 0.2 . 1 . . . . . . . . 4571 1 243 . 1 1 23 23 TYR CD2 C 13 132.481 0.2 . 1 . . . . . . . . 4571 1 244 . 1 1 23 23 TYR CE1 C 13 118.05 0.2 . 1 . . . . . . . . 4571 1 245 . 1 1 23 23 TYR CE2 C 13 118.05 0.2 . 1 . . . . . . . . 4571 1 246 . 1 1 23 23 TYR N N 15 118.508 0.2 . 1 . . . . . . . . 4571 1 247 . 1 1 24 24 GLN H H 1 8.494 0.02 . 1 . . . . . . . . 4571 1 248 . 1 1 24 24 GLN HA H 1 3.601 0.02 . 1 . . . . . . . . 4571 1 249 . 1 1 24 24 GLN HB2 H 1 1.912 0.02 . 1 . . . . . . . . 4571 1 250 . 1 1 24 24 GLN HB3 H 1 1.912 0.02 . 1 . . . . . . . . 4571 1 251 . 1 1 24 24 GLN HG2 H 1 2.141 0.02 . 2 . . . . . . . . 4571 1 252 . 1 1 24 24 GLN HG3 H 1 2.318 0.02 . 2 . . . . . . . . 4571 1 253 . 1 1 24 24 GLN HE21 H 1 7.036 0.02 . 1 . . . . . . . . 4571 1 254 . 1 1 24 24 GLN HE22 H 1 6.682 0.02 . 1 . . . . . . . . 4571 1 255 . 1 1 24 24 GLN C C 13 175.851 0.2 . 1 . . . . . . . . 4571 1 256 . 1 1 24 24 GLN CA C 13 59.014 0.2 . 1 . . . . . . . . 4571 1 257 . 1 1 24 24 GLN CB C 13 28.605 0.2 . 1 . . . . . . . . 4571 1 258 . 1 1 24 24 GLN CG C 13 34.084 0.2 . 1 . . . . . . . . 4571 1 259 . 1 1 24 24 GLN N N 15 115.798 0.2 . 1 . . . . . . . . 4571 1 260 . 1 1 24 24 GLN NE2 N 15 110.662 0.2 . 1 . . . . . . . . 4571 1 261 . 1 1 25 25 ARG H H 1 7.76 0.02 . 1 . . . . . . . . 4571 1 262 . 1 1 25 25 ARG HA H 1 3.928 0.02 . 1 . . . . . . . . 4571 1 263 . 1 1 25 25 ARG HB2 H 1 1.885 0.02 . 1 . . . . . . . . 4571 1 264 . 1 1 25 25 ARG HB3 H 1 1.885 0.02 . 1 . . . . . . . . 4571 1 265 . 1 1 25 25 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 4571 1 266 . 1 1 25 25 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 4571 1 267 . 1 1 25 25 ARG HD2 H 1 3.268 0.02 . 2 . . . . . . . . 4571 1 268 . 1 1 25 25 ARG HD3 H 1 3.089 0.02 . 2 . . . . . . . . 4571 1 269 . 1 1 25 25 ARG C C 13 176.52 0.2 . 1 . . . . . . . . 4571 1 270 . 1 1 25 25 ARG CA C 13 59.043 0.2 . 1 . . . . . . . . 4571 1 271 . 1 1 25 25 ARG CB C 13 30.386 0.2 . 1 . . . . . . . . 4571 1 272 . 1 1 25 25 ARG CG C 13 26.874 0.2 . 1 . . . . . . . . 4571 1 273 . 1 1 25 25 ARG CD C 13 43.187 0.2 . 1 . . . . . . . . 4571 1 274 . 1 1 25 25 ARG N N 15 118.855 0.2 . 1 . . . . . . . . 4571 1 275 . 1 1 26 26 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 4571 1 276 . 1 1 26 26 ARG HA H 1 3.972 0.02 . 1 . . . . . . . . 4571 1 277 . 1 1 26 26 ARG HB2 H 1 1.858 0.02 . 2 . . . . . . . . 4571 1 278 . 1 1 26 26 ARG HB3 H 1 0.871 0.02 . 2 . . . . . . . . 4571 1 279 . 1 1 26 26 ARG HG2 H 1 1.613 0.02 . 2 . . . . . . . . 4571 1 280 . 1 1 26 26 ARG HG3 H 1 2.03 0.02 . 2 . . . . . . . . 4571 1 281 . 1 1 26 26 ARG HD2 H 1 3.182 0.02 . 2 . . . . . . . . 4571 1 282 . 1 1 26 26 ARG HD3 H 1 2.681 0.02 . 2 . . . . . . . . 4571 1 283 . 1 1 26 26 ARG C C 13 178.357 0.2 . 1 . . . . . . . . 4571 1 284 . 1 1 26 26 ARG CA C 13 59.692 0.2 . 1 . . . . . . . . 4571 1 285 . 1 1 26 26 ARG CB C 13 31.258 0.2 . 1 . . . . . . . . 4571 1 286 . 1 1 26 26 ARG CG C 13 27.775 0.2 . 1 . . . . . . . . 4571 1 287 . 1 1 26 26 ARG CD C 13 44.269 0.2 . 1 . . . . . . . . 4571 1 288 . 1 1 26 26 ARG N N 15 118.11 0.2 . 1 . . . . . . . . 4571 1 289 . 1 1 27 27 VAL H H 1 8.184 0.02 . 1 . . . . . . . . 4571 1 290 . 1 1 27 27 VAL HA H 1 4.031 0.02 . 1 . . . . . . . . 4571 1 291 . 1 1 27 27 VAL HB H 1 1.718 0.02 . 1 . . . . . . . . 4571 1 292 . 1 1 27 27 VAL HG11 H 1 0.749 0.02 . 1 . . . . . . . . 4571 1 293 . 1 1 27 27 VAL HG12 H 1 0.749 0.02 . 1 . . . . . . . . 4571 1 294 . 1 1 27 27 VAL HG13 H 1 0.749 0.02 . 1 . . . . . . . . 4571 1 295 . 1 1 27 27 VAL HG21 H 1 0.384 0.02 . 1 . . . . . . . . 4571 1 296 . 1 1 27 27 VAL HG22 H 1 0.384 0.02 . 1 . . . . . . . . 4571 1 297 . 1 1 27 27 VAL HG23 H 1 0.384 0.02 . 1 . . . . . . . . 4571 1 298 . 1 1 27 27 VAL C C 13 179.359 0.2 . 1 . . . . . . . . 4571 1 299 . 1 1 27 27 VAL CA C 13 65.488 0.2 . 1 . . . . . . . . 4571 1 300 . 1 1 27 27 VAL CB C 13 31.466 0.2 . 1 . . . . . . . . 4571 1 301 . 1 1 27 27 VAL CG1 C 13 21.129 0.2 . 1 . . . . . . . . 4571 1 302 . 1 1 27 27 VAL CG2 C 13 22.42 0.2 . 1 . . . . . . . . 4571 1 303 . 1 1 27 27 VAL N N 15 119.076 0.2 . 1 . . . . . . . . 4571 1 304 . 1 1 28 28 ALA H H 1 8.007 0.02 . 1 . . . . . . . . 4571 1 305 . 1 1 28 28 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4571 1 306 . 1 1 28 28 ALA HB1 H 1 1.484 0.02 . 1 . . . . . . . . 4571 1 307 . 1 1 28 28 ALA HB2 H 1 1.484 0.02 . 1 . . . . . . . . 4571 1 308 . 1 1 28 28 ALA HB3 H 1 1.484 0.02 . 1 . . . . . . . . 4571 1 309 . 1 1 28 28 ALA C C 13 181.083 0.2 . 1 . . . . . . . . 4571 1 310 . 1 1 28 28 ALA CA C 13 55.025 0.2 . 1 . . . . . . . . 4571 1 311 . 1 1 28 28 ALA CB C 13 17.73 0.2 . 1 . . . . . . . . 4571 1 312 . 1 1 28 28 ALA N N 15 125.142 0.2 . 1 . . . . . . . . 4571 1 313 . 1 1 29 29 ASP H H 1 7.452 0.02 . 1 . . . . . . . . 4571 1 314 . 1 1 29 29 ASP HA H 1 4.709 0.02 . 1 . . . . . . . . 4571 1 315 . 1 1 29 29 ASP HB2 H 1 2.869 0.02 . 2 . . . . . . . . 4571 1 316 . 1 1 29 29 ASP HB3 H 1 2.773 0.02 . 2 . . . . . . . . 4571 1 317 . 1 1 29 29 ASP C C 13 179.245 0.2 . 1 . . . . . . . . 4571 1 318 . 1 1 29 29 ASP CA C 13 54.661 0.2 . 1 . . . . . . . . 4571 1 319 . 1 1 29 29 ASP CB C 13 41.409 0.2 . 1 . . . . . . . . 4571 1 320 . 1 1 29 29 ASP N N 15 116.734 0.2 . 1 . . . . . . . . 4571 1 321 . 1 1 30 30 GLY H H 1 7.732 0.02 . 1 . . . . . . . . 4571 1 322 . 1 1 30 30 GLY HA2 H 1 4.373 0.02 . 2 . . . . . . . . 4571 1 323 . 1 1 30 30 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 4571 1 324 . 1 1 30 30 GLY C C 13 176.751 0.2 . 1 . . . . . . . . 4571 1 325 . 1 1 30 30 GLY CA C 13 45.051 0.2 . 1 . . . . . . . . 4571 1 326 . 1 1 30 30 GLY N N 15 106.14 0.2 . 1 . . . . . . . . 4571 1 327 . 1 1 31 31 GLU H H 1 7.684 0.02 . 1 . . . . . . . . 4571 1 328 . 1 1 31 31 GLU HA H 1 4.144 0.02 . 1 . . . . . . . . 4571 1 329 . 1 1 31 31 GLU HB2 H 1 1.365 0.02 . 1 . . . . . . . . 4571 1 330 . 1 1 31 31 GLU HB3 H 1 1.828 0.02 . 1 . . . . . . . . 4571 1 331 . 1 1 31 31 GLU HG2 H 1 2.092 0.02 . 1 . . . . . . . . 4571 1 332 . 1 1 31 31 GLU HG3 H 1 2.265 0.02 . 1 . . . . . . . . 4571 1 333 . 1 1 31 31 GLU C C 13 174.975 0.2 . 1 . . . . . . . . 4571 1 334 . 1 1 31 31 GLU CA C 13 57.117 0.2 . 1 . . . . . . . . 4571 1 335 . 1 1 31 31 GLU CB C 13 31.723 0.2 . 1 . . . . . . . . 4571 1 336 . 1 1 31 31 GLU CG C 13 38.05 0.2 . 1 . . . . . . . . 4571 1 337 . 1 1 31 31 GLU N N 15 120.647 0.2 . 1 . . . . . . . . 4571 1 338 . 1 1 32 32 ASP H H 1 8.926 0.02 . 1 . . . . . . . . 4571 1 339 . 1 1 32 32 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4571 1 340 . 1 1 32 32 ASP HB2 H 1 2.842 0.02 . 2 . . . . . . . . 4571 1 341 . 1 1 32 32 ASP HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4571 1 342 . 1 1 32 32 ASP C C 13 175.508 0.2 . 1 . . . . . . . . 4571 1 343 . 1 1 32 32 ASP CA C 13 52.223 0.2 . 1 . . . . . . . . 4571 1 344 . 1 1 32 32 ASP CB C 13 42.696 0.2 . 1 . . . . . . . . 4571 1 345 . 1 1 32 32 ASP N N 15 124.467 0.2 . 1 . . . . . . . . 4571 1 346 . 1 1 33 33 PRO HA H 1 3.871 0.02 . 1 . . . . . . . . 4571 1 347 . 1 1 33 33 PRO HB2 H 1 2.866 0.02 . 2 . . . . . . . . 4571 1 348 . 1 1 33 33 PRO HB3 H 1 1.995 0.02 . 2 . . . . . . . . 4571 1 349 . 1 1 33 33 PRO HG2 H 1 1.986 0.02 . 2 . . . . . . . . 4571 1 350 . 1 1 33 33 PRO HG3 H 1 2.153 0.02 . 2 . . . . . . . . 4571 1 351 . 1 1 33 33 PRO HD2 H 1 3.858 0.02 . 2 . . . . . . . . 4571 1 352 . 1 1 33 33 PRO HD3 H 1 4.04 0.02 . 2 . . . . . . . . 4571 1 353 . 1 1 33 33 PRO CA C 13 66.389 0.2 . 1 . . . . . . . . 4571 1 354 . 1 1 33 33 PRO CB C 13 33.118 0.2 . 1 . . . . . . . . 4571 1 355 . 1 1 33 33 PRO CG C 13 27.451 0.2 . 1 . . . . . . . . 4571 1 356 . 1 1 33 33 PRO CD C 13 51.114 0.2 . 1 . . . . . . . . 4571 1 357 . 1 1 34 34 LYS H H 1 8.269 0.02 . 1 . . . . . . . . 4571 1 358 . 1 1 34 34 LYS HA H 1 3.829 0.02 . 1 . . . . . . . . 4571 1 359 . 1 1 34 34 LYS HB2 H 1 1.829 0.02 . 2 . . . . . . . . 4571 1 360 . 1 1 34 34 LYS HB3 H 1 1.744 0.02 . 2 . . . . . . . . 4571 1 361 . 1 1 34 34 LYS HG2 H 1 1.394 0.02 . 2 . . . . . . . . 4571 1 362 . 1 1 34 34 LYS HG3 H 1 1.344 0.02 . 2 . . . . . . . . 4571 1 363 . 1 1 34 34 LYS HD2 H 1 1.667 0.02 . 1 . . . . . . . . 4571 1 364 . 1 1 34 34 LYS HD3 H 1 1.667 0.02 . 1 . . . . . . . . 4571 1 365 . 1 1 34 34 LYS HE2 H 1 2.995 0.02 . 1 . . . . . . . . 4571 1 366 . 1 1 34 34 LYS HE3 H 1 2.995 0.02 . 1 . . . . . . . . 4571 1 367 . 1 1 34 34 LYS C C 13 177.731 0.2 . 1 . . . . . . . . 4571 1 368 . 1 1 34 34 LYS CA C 13 59.79 0.2 . 1 . . . . . . . . 4571 1 369 . 1 1 34 34 LYS CB C 13 31.848 0.2 . 1 . . . . . . . . 4571 1 370 . 1 1 34 34 LYS CG C 13 24.981 0.2 . 1 . . . . . . . . 4571 1 371 . 1 1 34 34 LYS CD C 13 29.037 0.2 . 1 . . . . . . . . 4571 1 372 . 1 1 34 34 LYS CE C 13 41.888 0.2 . 1 . . . . . . . . 4571 1 373 . 1 1 34 34 LYS N N 15 115.181 0.2 . 1 . . . . . . . . 4571 1 374 . 1 1 35 35 ASP H H 1 7.265 0.02 . 1 . . . . . . . . 4571 1 375 . 1 1 35 35 ASP HA H 1 4.377 0.02 . 1 . . . . . . . . 4571 1 376 . 1 1 35 35 ASP HB2 H 1 2.791 0.02 . 2 . . . . . . . . 4571 1 377 . 1 1 35 35 ASP HB3 H 1 2.908 0.02 . 2 . . . . . . . . 4571 1 378 . 1 1 35 35 ASP C C 13 178.545 0.2 . 1 . . . . . . . . 4571 1 379 . 1 1 35 35 ASP CA C 13 56.947 0.2 . 1 . . . . . . . . 4571 1 380 . 1 1 35 35 ASP CB C 13 40.497 0.2 . 1 . . . . . . . . 4571 1 381 . 1 1 35 35 ASP N N 15 118.721 0.2 . 1 . . . . . . . . 4571 1 382 . 1 1 36 36 VAL H H 1 8.111 0.02 . 1 . . . . . . . . 4571 1 383 . 1 1 36 36 VAL HA H 1 3.4 0.02 . 1 . . . . . . . . 4571 1 384 . 1 1 36 36 VAL HB H 1 2.031 0.02 . 1 . . . . . . . . 4571 1 385 . 1 1 36 36 VAL HG11 H 1 0.934 0.02 . 1 . . . . . . . . 4571 1 386 . 1 1 36 36 VAL HG12 H 1 0.934 0.02 . 1 . . . . . . . . 4571 1 387 . 1 1 36 36 VAL HG13 H 1 0.934 0.02 . 1 . . . . . . . . 4571 1 388 . 1 1 36 36 VAL HG21 H 1 0.75 0.02 . 1 . . . . . . . . 4571 1 389 . 1 1 36 36 VAL HG22 H 1 0.75 0.02 . 1 . . . . . . . . 4571 1 390 . 1 1 36 36 VAL HG23 H 1 0.75 0.02 . 1 . . . . . . . . 4571 1 391 . 1 1 36 36 VAL C C 13 179.241 0.2 . 1 . . . . . . . . 4571 1 392 . 1 1 36 36 VAL CA C 13 66.773 0.2 . 1 . . . . . . . . 4571 1 393 . 1 1 36 36 VAL CB C 13 31.974 0.2 . 1 . . . . . . . . 4571 1 394 . 1 1 36 36 VAL CG1 C 13 23.285 0.2 . 1 . . . . . . . . 4571 1 395 . 1 1 36 36 VAL CG2 C 13 24.207 0.2 . 1 . . . . . . . . 4571 1 396 . 1 1 36 36 VAL N N 15 120.935 0.2 . 1 . . . . . . . . 4571 1 397 . 1 1 37 37 LEU H H 1 8.363 0.02 . 1 . . . . . . . . 4571 1 398 . 1 1 37 37 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 4571 1 399 . 1 1 37 37 LEU HB2 H 1 1.884 0.02 . 1 . . . . . . . . 4571 1 400 . 1 1 37 37 LEU HB3 H 1 1.352 0.02 . 1 . . . . . . . . 4571 1 401 . 1 1 37 37 LEU HG H 1 0.749 0.02 . 1 . . . . . . . . 4571 1 402 . 1 1 37 37 LEU HD21 H 1 0.614 0.02 . 1 . . . . . . . . 4571 1 403 . 1 1 37 37 LEU HD22 H 1 0.614 0.02 . 1 . . . . . . . . 4571 1 404 . 1 1 37 37 LEU HD23 H 1 0.614 0.02 . 1 . . . . . . . . 4571 1 405 . 1 1 37 37 LEU C C 13 177.716 0.2 . 1 . . . . . . . . 4571 1 406 . 1 1 37 37 LEU CA C 13 58.538 0.2 . 1 . . . . . . . . 4571 1 407 . 1 1 37 37 LEU CB C 13 41.227 0.2 . 1 . . . . . . . . 4571 1 408 . 1 1 37 37 LEU CG C 13 25.819 0.2 . 1 . . . . . . . . 4571 1 409 . 1 1 37 37 LEU CD2 C 13 24.551 0.2 . 1 . . . . . . . . 4571 1 410 . 1 1 37 37 LEU N N 15 118.048 0.2 . 1 . . . . . . . . 4571 1 411 . 1 1 38 38 ASP H H 1 7.846 0.02 . 1 . . . . . . . . 4571 1 412 . 1 1 38 38 ASP HA H 1 4.194 0.02 . 1 . . . . . . . . 4571 1 413 . 1 1 38 38 ASP HB2 H 1 2.698 0.02 . 2 . . . . . . . . 4571 1 414 . 1 1 38 38 ASP HB3 H 1 2.894 0.02 . 2 . . . . . . . . 4571 1 415 . 1 1 38 38 ASP C C 13 178.816 0.2 . 1 . . . . . . . . 4571 1 416 . 1 1 38 38 ASP CA C 13 57.345 0.2 . 1 . . . . . . . . 4571 1 417 . 1 1 38 38 ASP CB C 13 39.96 0.2 . 1 . . . . . . . . 4571 1 418 . 1 1 38 38 ASP N N 15 117.757 0.2 . 1 . . . . . . . . 4571 1 419 . 1 1 39 39 ASP H H 1 8.119 0.02 . 1 . . . . . . . . 4571 1 420 . 1 1 39 39 ASP HA H 1 4.467 0.02 . 1 . . . . . . . . 4571 1 421 . 1 1 39 39 ASP HB2 H 1 2.886 0.02 . 2 . . . . . . . . 4571 1 422 . 1 1 39 39 ASP HB3 H 1 2.771 0.02 . 2 . . . . . . . . 4571 1 423 . 1 1 39 39 ASP C C 13 179.275 0.2 . 1 . . . . . . . . 4571 1 424 . 1 1 39 39 ASP CA C 13 57.036 0.2 . 1 . . . . . . . . 4571 1 425 . 1 1 39 39 ASP CB C 13 42.128 0.2 . 1 . . . . . . . . 4571 1 426 . 1 1 39 39 ASP N N 15 122.509 0.2 . 1 . . . . . . . . 4571 1 427 . 1 1 40 40 LEU H H 1 8.219 0.02 . 1 . . . . . . . . 4571 1 428 . 1 1 40 40 LEU HA H 1 4.224 0.02 . 1 . . . . . . . . 4571 1 429 . 1 1 40 40 LEU HB2 H 1 1.767 0.02 . 1 . . . . . . . . 4571 1 430 . 1 1 40 40 LEU HB3 H 1 1.515 0.02 . 1 . . . . . . . . 4571 1 431 . 1 1 40 40 LEU HG H 1 2.108 0.02 . 1 . . . . . . . . 4571 1 432 . 1 1 40 40 LEU HD11 H 1 0.942 0.02 . 1 . . . . . . . . 4571 1 433 . 1 1 40 40 LEU HD12 H 1 0.942 0.02 . 1 . . . . . . . . 4571 1 434 . 1 1 40 40 LEU HD13 H 1 0.942 0.02 . 1 . . . . . . . . 4571 1 435 . 1 1 40 40 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4571 1 436 . 1 1 40 40 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4571 1 437 . 1 1 40 40 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4571 1 438 . 1 1 40 40 LEU C C 13 178.13 0.2 . 1 . . . . . . . . 4571 1 439 . 1 1 40 40 LEU CA C 13 55.506 0.2 . 1 . . . . . . . . 4571 1 440 . 1 1 40 40 LEU CB C 13 42.531 0.2 . 1 . . . . . . . . 4571 1 441 . 1 1 40 40 LEU CG C 13 26.784 0.2 . 1 . . . . . . . . 4571 1 442 . 1 1 40 40 LEU CD1 C 13 26.784 0.2 . 1 . . . . . . . . 4571 1 443 . 1 1 40 40 LEU CD2 C 13 22.766 0.2 . 1 . . . . . . . . 4571 1 444 . 1 1 40 40 LEU N N 15 116.411 0.2 . 1 . . . . . . . . 4571 1 445 . 1 1 41 41 GLY H H 1 7.774 0.02 . 1 . . . . . . . . 4571 1 446 . 1 1 41 41 GLY HA2 H 1 4.104 0.02 . 1 . . . . . . . . 4571 1 447 . 1 1 41 41 GLY HA3 H 1 3.655 0.02 . 1 . . . . . . . . 4571 1 448 . 1 1 41 41 GLY C C 13 177.52 0.2 . 1 . . . . . . . . 4571 1 449 . 1 1 41 41 GLY CA C 13 45.446 0.2 . 1 . . . . . . . . 4571 1 450 . 1 1 41 41 GLY N N 15 106.126 0.2 . 1 . . . . . . . . 4571 1 451 . 1 1 42 42 LEU H H 1 7.509 0.02 . 1 . . . . . . . . 4571 1 452 . 1 1 42 42 LEU HA H 1 4.363 0.02 . 1 . . . . . . . . 4571 1 453 . 1 1 42 42 LEU HB2 H 1 1.228 0.02 . 1 . . . . . . . . 4571 1 454 . 1 1 42 42 LEU HB3 H 1 1.228 0.02 . 1 . . . . . . . . 4571 1 455 . 1 1 42 42 LEU HG H 1 1.049 0.02 . 1 . . . . . . . . 4571 1 456 . 1 1 42 42 LEU HD11 H 1 0.455 0.02 . 1 . . . . . . . . 4571 1 457 . 1 1 42 42 LEU HD12 H 1 0.455 0.02 . 1 . . . . . . . . 4571 1 458 . 1 1 42 42 LEU HD13 H 1 0.455 0.02 . 1 . . . . . . . . 4571 1 459 . 1 1 42 42 LEU HD21 H 1 0.309 0.02 . 1 . . . . . . . . 4571 1 460 . 1 1 42 42 LEU HD22 H 1 0.309 0.02 . 1 . . . . . . . . 4571 1 461 . 1 1 42 42 LEU HD23 H 1 0.309 0.02 . 1 . . . . . . . . 4571 1 462 . 1 1 42 42 LEU C C 13 174.426 0.2 . 1 . . . . . . . . 4571 1 463 . 1 1 42 42 LEU CA C 13 53.668 0.2 . 1 . . . . . . . . 4571 1 464 . 1 1 42 42 LEU CB C 13 40.838 0.2 . 1 . . . . . . . . 4571 1 465 . 1 1 42 42 LEU CG C 13 27.186 0.2 . 1 . . . . . . . . 4571 1 466 . 1 1 42 42 LEU CD1 C 13 24.444 0.2 . 1 . . . . . . . . 4571 1 467 . 1 1 42 42 LEU CD2 C 13 24.663 0.2 . 1 . . . . . . . . 4571 1 468 . 1 1 42 42 LEU N N 15 122.392 0.2 . 1 . . . . . . . . 4571 1 469 . 1 1 43 43 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4571 1 470 . 1 1 43 43 LYS HB2 H 1 1.677 0.02 . 2 . . . . . . . . 4571 1 471 . 1 1 43 43 LYS HB3 H 1 1.915 0.02 . 2 . . . . . . . . 4571 1 472 . 1 1 43 43 LYS HG2 H 1 1.306 0.02 . 2 . . . . . . . . 4571 1 473 . 1 1 43 43 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4571 1 474 . 1 1 43 43 LYS HD2 H 1 1.614 0.02 . 1 . . . . . . . . 4571 1 475 . 1 1 43 43 LYS HD3 H 1 1.614 0.02 . 1 . . . . . . . . 4571 1 476 . 1 1 43 43 LYS HE2 H 1 2.956 0.02 . 1 . . . . . . . . 4571 1 477 . 1 1 43 43 LYS HE3 H 1 2.956 0.02 . 1 . . . . . . . . 4571 1 478 . 1 1 43 43 LYS CA C 13 56.554 0.2 . 1 . . . . . . . . 4571 1 479 . 1 1 43 43 LYS CB C 13 33.555 0.2 . 1 . . . . . . . . 4571 1 480 . 1 1 43 43 LYS CG C 13 25.101 0.2 . 1 . . . . . . . . 4571 1 481 . 1 1 43 43 LYS CD C 13 28.737 0.2 . 1 . . . . . . . . 4571 1 482 . 1 1 43 43 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 4571 1 483 . 1 1 44 44 ARG H H 1 7.717 0.02 . 1 . . . . . . . . 4571 1 484 . 1 1 44 44 ARG HA H 1 4.35 0.02 . 1 . . . . . . . . 4571 1 485 . 1 1 44 44 ARG HB2 H 1 2.088 0.02 . 1 . . . . . . . . 4571 1 486 . 1 1 44 44 ARG HB3 H 1 2.297 0.02 . 1 . . . . . . . . 4571 1 487 . 1 1 44 44 ARG HG2 H 1 1.771 0.02 . 1 . . . . . . . . 4571 1 488 . 1 1 44 44 ARG HG3 H 1 1.771 0.02 . 1 . . . . . . . . 4571 1 489 . 1 1 44 44 ARG HD2 H 1 3.323 0.02 . 1 . . . . . . . . 4571 1 490 . 1 1 44 44 ARG HD3 H 1 3.323 0.02 . 1 . . . . . . . . 4571 1 491 . 1 1 44 44 ARG C C 13 177.098 0.2 . 1 . . . . . . . . 4571 1 492 . 1 1 44 44 ARG CA C 13 56.63 0.2 . 1 . . . . . . . . 4571 1 493 . 1 1 44 44 ARG CB C 13 33.115 0.2 . 1 . . . . . . . . 4571 1 494 . 1 1 44 44 ARG CG C 13 28.596 0.2 . 1 . . . . . . . . 4571 1 495 . 1 1 44 44 ARG CD C 13 43.965 0.2 . 1 . . . . . . . . 4571 1 496 . 1 1 44 44 ARG N N 15 119.694 0.2 . 1 . . . . . . . . 4571 1 497 . 1 1 45 45 TYR HA H 1 3.924 0.02 . 1 . . . . . . . . 4571 1 498 . 1 1 45 45 TYR HB2 H 1 3.027 0.02 . 2 . . . . . . . . 4571 1 499 . 1 1 45 45 TYR HB3 H 1 3.162 0.02 . 2 . . . . . . . . 4571 1 500 . 1 1 45 45 TYR HD1 H 1 7.168 0.02 . 1 . . . . . . . . 4571 1 501 . 1 1 45 45 TYR HD2 H 1 7.168 0.02 . 1 . . . . . . . . 4571 1 502 . 1 1 45 45 TYR HE1 H 1 6.849 0.02 . 1 . . . . . . . . 4571 1 503 . 1 1 45 45 TYR HE2 H 1 6.849 0.02 . 1 . . . . . . . . 4571 1 504 . 1 1 45 45 TYR CA C 13 61.752 0.2 . 1 . . . . . . . . 4571 1 505 . 1 1 45 45 TYR CB C 13 38.05 0.2 . 1 . . . . . . . . 4571 1 506 . 1 1 45 45 TYR CD1 C 13 133.444 0.2 . 1 . . . . . . . . 4571 1 507 . 1 1 45 45 TYR CD2 C 13 133.444 0.2 . 1 . . . . . . . . 4571 1 508 . 1 1 45 45 TYR CE1 C 13 118.352 0.2 . 1 . . . . . . . . 4571 1 509 . 1 1 45 45 TYR CE2 C 13 118.352 0.2 . 1 . . . . . . . . 4571 1 510 . 1 1 46 46 CYS H H 1 7.277 0.02 . 1 . . . . . . . . 4571 1 511 . 1 1 46 46 CYS HA H 1 4.019 0.02 . 1 . . . . . . . . 4571 1 512 . 1 1 46 46 CYS HB2 H 1 2.68 0.02 . 2 . . . . . . . . 4571 1 513 . 1 1 46 46 CYS HB3 H 1 2.723 0.02 . 2 . . . . . . . . 4571 1 514 . 1 1 46 46 CYS C C 13 177.431 0.2 . 1 . . . . . . . . 4571 1 515 . 1 1 46 46 CYS CA C 13 63.262 0.2 . 1 . . . . . . . . 4571 1 516 . 1 1 46 46 CYS CB C 13 30.503 0.2 . 1 . . . . . . . . 4571 1 517 . 1 1 46 46 CYS N N 15 129.001 0.2 . 1 . . . . . . . . 4571 1 518 . 1 1 47 47 CYS H H 1 7.632 0.02 . 1 . . . . . . . . 4571 1 519 . 1 1 47 47 CYS HA H 1 3.546 0.02 . 1 . . . . . . . . 4571 1 520 . 1 1 47 47 CYS HB2 H 1 1.604 0.02 . 1 . . . . . . . . 4571 1 521 . 1 1 47 47 CYS HB3 H 1 1.802 0.02 . 1 . . . . . . . . 4571 1 522 . 1 1 47 47 CYS C C 13 177.922 0.2 . 1 . . . . . . . . 4571 1 523 . 1 1 47 47 CYS CA C 13 59.855 0.2 . 1 . . . . . . . . 4571 1 524 . 1 1 47 47 CYS CB C 13 31.403 0.2 . 1 . . . . . . . . 4571 1 525 . 1 1 47 47 CYS N N 15 116.668 0.2 . 1 . . . . . . . . 4571 1 526 . 1 1 48 48 ARG H H 1 7.632 0.02 . 1 . . . . . . . . 4571 1 527 . 1 1 48 48 ARG HA H 1 3.546 0.02 . 1 . . . . . . . . 4571 1 528 . 1 1 48 48 ARG HB2 H 1 1.604 0.02 . 1 . . . . . . . . 4571 1 529 . 1 1 48 48 ARG HB3 H 1 1.802 0.02 . 1 . . . . . . . . 4571 1 530 . 1 1 48 48 ARG HG2 H 1 1.123 0.02 . 2 . . . . . . . . 4571 1 531 . 1 1 48 48 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . 4571 1 532 . 1 1 48 48 ARG HD2 H 1 3.021 0.02 . 1 . . . . . . . . 4571 1 533 . 1 1 48 48 ARG HD3 H 1 3.021 0.02 . 1 . . . . . . . . 4571 1 534 . 1 1 48 48 ARG C C 13 177.922 0.2 . 1 . . . . . . . . 4571 1 535 . 1 1 48 48 ARG CA C 13 59.855 0.2 . 1 . . . . . . . . 4571 1 536 . 1 1 48 48 ARG CB C 13 31.403 0.2 . 1 . . . . . . . . 4571 1 537 . 1 1 48 48 ARG CG C 13 29.758 0.2 . 1 . . . . . . . . 4571 1 538 . 1 1 48 48 ARG CD C 13 44.72 0.2 . 1 . . . . . . . . 4571 1 539 . 1 1 48 48 ARG N N 15 116.668 0.2 . 1 . . . . . . . . 4571 1 540 . 1 1 49 49 ARG H H 1 8.021 0.02 . 1 . . . . . . . . 4571 1 541 . 1 1 49 49 ARG HA H 1 3.805 0.02 . 1 . . . . . . . . 4571 1 542 . 1 1 49 49 ARG HB2 H 1 1.788 0.02 . 1 . . . . . . . . 4571 1 543 . 1 1 49 49 ARG HB3 H 1 1.679 0.02 . 1 . . . . . . . . 4571 1 544 . 1 1 49 49 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4571 1 545 . 1 1 49 49 ARG HG3 H 1 1.481 0.02 . 1 . . . . . . . . 4571 1 546 . 1 1 49 49 ARG HD2 H 1 3.048 0.02 . 1 . . . . . . . . 4571 1 547 . 1 1 49 49 ARG HD3 H 1 3.048 0.02 . 1 . . . . . . . . 4571 1 548 . 1 1 49 49 ARG C C 13 177.864 0.2 . 1 . . . . . . . . 4571 1 549 . 1 1 49 49 ARG CA C 13 58.568 0.2 . 1 . . . . . . . . 4571 1 550 . 1 1 49 49 ARG CB C 13 29.282 0.2 . 1 . . . . . . . . 4571 1 551 . 1 1 49 49 ARG CG C 13 26.604 0.2 . 1 . . . . . . . . 4571 1 552 . 1 1 49 49 ARG CD C 13 43.007 0.2 . 1 . . . . . . . . 4571 1 553 . 1 1 49 49 ARG N N 15 116.891 0.2 . 1 . . . . . . . . 4571 1 554 . 1 1 50 50 MET H H 1 7.785 0.02 . 1 . . . . . . . . 4571 1 555 . 1 1 50 50 MET HA H 1 4.204 0.02 . 1 . . . . . . . . 4571 1 556 . 1 1 50 50 MET HB2 H 1 2.146 0.02 . 2 . . . . . . . . 4571 1 557 . 1 1 50 50 MET HB3 H 1 2.398 0.02 . 2 . . . . . . . . 4571 1 558 . 1 1 50 50 MET HG2 H 1 2.555 0.02 . 2 . . . . . . . . 4571 1 559 . 1 1 50 50 MET HG3 H 1 2.701 0.02 . 2 . . . . . . . . 4571 1 560 . 1 1 50 50 MET HE1 H 1 1.978 0.02 . 1 . . . . . . . . 4571 1 561 . 1 1 50 50 MET HE2 H 1 1.978 0.02 . 1 . . . . . . . . 4571 1 562 . 1 1 50 50 MET HE3 H 1 1.978 0.02 . 1 . . . . . . . . 4571 1 563 . 1 1 50 50 MET C C 13 178.994 0.2 . 1 . . . . . . . . 4571 1 564 . 1 1 50 50 MET CA C 13 57.709 0.2 . 1 . . . . . . . . 4571 1 565 . 1 1 50 50 MET CB C 13 31.249 0.2 . 1 . . . . . . . . 4571 1 566 . 1 1 50 50 MET CG C 13 32.552 0.2 . 1 . . . . . . . . 4571 1 567 . 1 1 50 50 MET CE C 13 17.184 0.2 . 1 . . . . . . . . 4571 1 568 . 1 1 50 50 MET N N 15 118.712 0.2 . 1 . . . . . . . . 4571 1 569 . 1 1 51 51 LEU H H 1 7.499 0.02 . 1 . . . . . . . . 4571 1 570 . 1 1 51 51 LEU HA H 1 3.892 0.02 . 1 . . . . . . . . 4571 1 571 . 1 1 51 51 LEU HB2 H 1 0.924 0.02 . 1 . . . . . . . . 4571 1 572 . 1 1 51 51 LEU HB3 H 1 0.924 0.02 . 1 . . . . . . . . 4571 1 573 . 1 1 51 51 LEU HG H 1 1.354 0.02 . 1 . . . . . . . . 4571 1 574 . 1 1 51 51 LEU HD11 H 1 0.525 0.02 . 1 . . . . . . . . 4571 1 575 . 1 1 51 51 LEU HD12 H 1 0.525 0.02 . 1 . . . . . . . . 4571 1 576 . 1 1 51 51 LEU HD13 H 1 0.525 0.02 . 1 . . . . . . . . 4571 1 577 . 1 1 51 51 LEU HD21 H 1 0.394 0.02 . 1 . . . . . . . . 4571 1 578 . 1 1 51 51 LEU HD22 H 1 0.394 0.02 . 1 . . . . . . . . 4571 1 579 . 1 1 51 51 LEU HD23 H 1 0.394 0.02 . 1 . . . . . . . . 4571 1 580 . 1 1 51 51 LEU C C 13 177.803 0.2 . 1 . . . . . . . . 4571 1 581 . 1 1 51 51 LEU CA C 13 58.36 0.2 . 1 . . . . . . . . 4571 1 582 . 1 1 51 51 LEU CB C 13 41.044 0.2 . 1 . . . . . . . . 4571 1 583 . 1 1 51 51 LEU CG C 13 28.524 0.2 . 1 . . . . . . . . 4571 1 584 . 1 1 51 51 LEU CD1 C 13 25.35 0.2 . 1 . . . . . . . . 4571 1 585 . 1 1 51 51 LEU CD2 C 13 24.192 0.2 . 1 . . . . . . . . 4571 1 586 . 1 1 51 51 LEU N N 15 119.589 0.2 . 1 . . . . . . . . 4571 1 587 . 1 1 52 52 ILE H H 1 8.163 0.02 . 1 . . . . . . . . 4571 1 588 . 1 1 52 52 ILE HA H 1 3.714 0.02 . 1 . . . . . . . . 4571 1 589 . 1 1 52 52 ILE HB H 1 1.68 0.02 . 1 . . . . . . . . 4571 1 590 . 1 1 52 52 ILE HG12 H 1 1.088 0.02 . 2 . . . . . . . . 4571 1 591 . 1 1 52 52 ILE HG13 H 1 1.589 0.02 . 2 . . . . . . . . 4571 1 592 . 1 1 52 52 ILE HG21 H 1 0.848 0.02 . 1 . . . . . . . . 4571 1 593 . 1 1 52 52 ILE HG22 H 1 0.848 0.02 . 1 . . . . . . . . 4571 1 594 . 1 1 52 52 ILE HG23 H 1 0.848 0.02 . 1 . . . . . . . . 4571 1 595 . 1 1 52 52 ILE HD11 H 1 0.694 0.02 . 1 . . . . . . . . 4571 1 596 . 1 1 52 52 ILE HD12 H 1 0.694 0.02 . 1 . . . . . . . . 4571 1 597 . 1 1 52 52 ILE HD13 H 1 0.694 0.02 . 1 . . . . . . . . 4571 1 598 . 1 1 52 52 ILE C C 13 178.282 0.2 . 1 . . . . . . . . 4571 1 599 . 1 1 52 52 ILE CA C 13 64.514 0.2 . 1 . . . . . . . . 4571 1 600 . 1 1 52 52 ILE CB C 13 38.601 0.2 . 1 . . . . . . . . 4571 1 601 . 1 1 52 52 ILE CG1 C 13 28.767 0.2 . 1 . . . . . . . . 4571 1 602 . 1 1 52 52 ILE CG2 C 13 17.245 0.2 . 1 . . . . . . . . 4571 1 603 . 1 1 52 52 ILE CD1 C 13 13.365 0.2 . 1 . . . . . . . . 4571 1 604 . 1 1 52 52 ILE N N 15 118.294 0.2 . 1 . . . . . . . . 4571 1 605 . 1 1 53 53 SER H H 1 8.022 0.02 . 1 . . . . . . . . 4571 1 606 . 1 1 53 53 SER HA H 1 4.305 0.02 . 1 . . . . . . . . 4571 1 607 . 1 1 53 53 SER HB2 H 1 3.914 0.02 . 1 . . . . . . . . 4571 1 608 . 1 1 53 53 SER HB3 H 1 3.914 0.02 . 1 . . . . . . . . 4571 1 609 . 1 1 53 53 SER C C 13 178.288 0.2 . 1 . . . . . . . . 4571 1 610 . 1 1 53 53 SER CA C 13 60.183 0.2 . 1 . . . . . . . . 4571 1 611 . 1 1 53 53 SER CB C 13 63.551 0.2 . 1 . . . . . . . . 4571 1 612 . 1 1 53 53 SER N N 15 112.854 0.2 . 1 . . . . . . . . 4571 1 613 . 1 1 54 54 HIS H H 1 7.707 0.02 . 1 . . . . . . . . 4571 1 614 . 1 1 54 54 HIS HA H 1 4.429 0.02 . 1 . . . . . . . . 4571 1 615 . 1 1 54 54 HIS HB2 H 1 3.095 0.02 . 1 . . . . . . . . 4571 1 616 . 1 1 54 54 HIS HB3 H 1 3.186 0.02 . 1 . . . . . . . . 4571 1 617 . 1 1 54 54 HIS HD2 H 1 7.062 0.02 . 1 . . . . . . . . 4571 1 618 . 1 1 54 54 HIS HE1 H 1 7.857 0.02 . 1 . . . . . . . . 4571 1 619 . 1 1 54 54 HIS C C 13 175.216 0.2 . 1 . . . . . . . . 4571 1 620 . 1 1 54 54 HIS CA C 13 58.535 0.2 . 1 . . . . . . . . 4571 1 621 . 1 1 54 54 HIS CB C 13 30.806 0.2 . 1 . . . . . . . . 4571 1 622 . 1 1 54 54 HIS CD2 C 13 120.12 0.2 . 1 . . . . . . . . 4571 1 623 . 1 1 54 54 HIS CE1 C 13 138.288 0.2 . 1 . . . . . . . . 4571 1 624 . 1 1 54 54 HIS N N 15 120.198 0.2 . 1 . . . . . . . . 4571 1 625 . 1 1 54 54 HIS ND1 N 15 182.285 0.2 . 1 . . . . . . . . 4571 1 626 . 1 1 54 54 HIS NE2 N 15 203.09 0.2 . 1 . . . . . . . . 4571 1 627 . 1 1 55 55 VAL H H 1 7.607 0.02 . 1 . . . . . . . . 4571 1 628 . 1 1 55 55 VAL HA H 1 3.628 0.02 . 1 . . . . . . . . 4571 1 629 . 1 1 55 55 VAL HB H 1 1.968 0.02 . 1 . . . . . . . . 4571 1 630 . 1 1 55 55 VAL HG11 H 1 0.741 0.02 . 1 . . . . . . . . 4571 1 631 . 1 1 55 55 VAL HG12 H 1 0.741 0.02 . 1 . . . . . . . . 4571 1 632 . 1 1 55 55 VAL HG13 H 1 0.741 0.02 . 1 . . . . . . . . 4571 1 633 . 1 1 55 55 VAL HG21 H 1 0.796 0.02 . 1 . . . . . . . . 4571 1 634 . 1 1 55 55 VAL HG22 H 1 0.796 0.02 . 1 . . . . . . . . 4571 1 635 . 1 1 55 55 VAL HG23 H 1 0.796 0.02 . 1 . . . . . . . . 4571 1 636 . 1 1 55 55 VAL C C 13 175.811 0.2 . 1 . . . . . . . . 4571 1 637 . 1 1 55 55 VAL CA C 13 62.785 0.2 . 1 . . . . . . . . 4571 1 638 . 1 1 55 55 VAL CB C 13 32.28 0.2 . 1 . . . . . . . . 4571 1 639 . 1 1 55 55 VAL CG1 C 13 21.151 0.2 . 1 . . . . . . . . 4571 1 640 . 1 1 55 55 VAL CG2 C 13 21.207 0.2 . 1 . . . . . . . . 4571 1 641 . 1 1 55 55 VAL N N 15 118.268 0.2 . 1 . . . . . . . . 4571 1 642 . 1 1 56 56 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 4571 1 643 . 1 1 56 56 GLU HA H 1 4.202 0.02 . 1 . . . . . . . . 4571 1 644 . 1 1 56 56 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4571 1 645 . 1 1 56 56 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4571 1 646 . 1 1 56 56 GLU HG2 H 1 2.182 0.02 . 2 . . . . . . . . 4571 1 647 . 1 1 56 56 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 4571 1 648 . 1 1 56 56 GLU C C 13 176.083 0.2 . 1 . . . . . . . . 4571 1 649 . 1 1 56 56 GLU CA C 13 57.067 0.2 . 1 . . . . . . . . 4571 1 650 . 1 1 56 56 GLU CB C 13 30.258 0.2 . 1 . . . . . . . . 4571 1 651 . 1 1 56 56 GLU CG C 13 36.428 0.2 . 1 . . . . . . . . 4571 1 652 . 1 1 56 56 GLU N N 15 121.73 0.2 . 1 . . . . . . . . 4571 1 653 . 1 1 57 57 THR H H 1 7.704 0.02 . 1 . . . . . . . . 4571 1 654 . 1 1 57 57 THR HA H 1 4.298 0.02 . 1 . . . . . . . . 4571 1 655 . 1 1 57 57 THR HB H 1 4.206 0.02 . 1 . . . . . . . . 4571 1 656 . 1 1 57 57 THR HG21 H 1 1.087 0.02 . 1 . . . . . . . . 4571 1 657 . 1 1 57 57 THR HG22 H 1 1.087 0.02 . 1 . . . . . . . . 4571 1 658 . 1 1 57 57 THR HG23 H 1 1.087 0.02 . 1 . . . . . . . . 4571 1 659 . 1 1 57 57 THR C C 13 176.497 0.2 . 1 . . . . . . . . 4571 1 660 . 1 1 57 57 THR CA C 13 61.466 0.2 . 1 . . . . . . . . 4571 1 661 . 1 1 57 57 THR CB C 13 69.827 0.2 . 1 . . . . . . . . 4571 1 662 . 1 1 57 57 THR CG2 C 13 21.466 0.2 . 1 . . . . . . . . 4571 1 663 . 1 1 57 57 THR N N 15 111.971 0.2 . 1 . . . . . . . . 4571 1 664 . 1 1 58 58 TRP H H 1 7.597 0.02 . 1 . . . . . . . . 4571 1 665 . 1 1 58 58 TRP HA H 1 4.471 0.02 . 1 . . . . . . . . 4571 1 666 . 1 1 58 58 TRP HB2 H 1 3.232 0.02 . 1 . . . . . . . . 4571 1 667 . 1 1 58 58 TRP HB3 H 1 3.232 0.02 . 1 . . . . . . . . 4571 1 668 . 1 1 58 58 TRP HD1 H 1 7.093 0.02 . 1 . . . . . . . . 4571 1 669 . 1 1 58 58 TRP HE1 H 1 10.04 0.02 . 1 . . . . . . . . 4571 1 670 . 1 1 58 58 TRP HE3 H 1 7.632 0.02 . 1 . . . . . . . . 4571 1 671 . 1 1 58 58 TRP HZ2 H 1 7.4 0.02 . 1 . . . . . . . . 4571 1 672 . 1 1 58 58 TRP HZ3 H 1 7.057 0.02 . 1 . . . . . . . . 4571 1 673 . 1 1 58 58 TRP HH2 H 1 7.109 0.02 . 1 . . . . . . . . 4571 1 674 . 1 1 58 58 TRP C C 13 173.434 0.2 . 1 . . . . . . . . 4571 1 675 . 1 1 58 58 TRP CA C 13 58.552 0.2 . 1 . . . . . . . . 4571 1 676 . 1 1 58 58 TRP CB C 13 30.075 0.2 . 1 . . . . . . . . 4571 1 677 . 1 1 58 58 TRP CD1 C 13 126.543 0.2 . 1 . . . . . . . . 4571 1 678 . 1 1 58 58 TRP CE3 C 13 121.161 0.2 . 1 . . . . . . . . 4571 1 679 . 1 1 58 58 TRP CZ2 C 13 114.306 0.2 . 1 . . . . . . . . 4571 1 680 . 1 1 58 58 TRP N N 15 128.647 0.2 . 1 . . . . . . . . 4571 1 681 . 1 1 58 58 TRP NE1 N 15 128.562 0.2 . 1 . . . . . . . . 4571 1 stop_ save_