data_30030 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30030 _Entry.Title ; Solution structure of AN1-type zinc finger domain from Cuz1 (Cdc48 associated ubiquitin-like/zinc-finger protein-1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-01 _Entry.Accession_date 2016-03-01 _Entry.Last_release_date 2016-09-30 _Entry.Original_release_date 2016-09-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Z.-Y Sun Z.-Y J. . . 30030 2 J. Hanna J. . . . 30030 3 G. Wagner G. . . . 30030 4 M. Bhanu M. K. . . 30030 5 M. Allan M. . . . 30030 6 H. Arthanari H. . . . 30030 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'METAL BINDING PROTEIN' . 30030 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30030 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 30030 '15N chemical shifts' 62 30030 '1H chemical shifts' 337 30030 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 . . 2016-09-30 . original BMRB . 30030 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IJ4 'BMRB Entry Tracking System' 30030 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30030 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27662200 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Cuz1 AN1 Zinc Finger Domain: An Exposed LDFLP Motif Defines a Subfamily of AN1 Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 9 _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 e0163660 _Citation.Page_last e0163660 _Citation.Year 2016 _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 Z.-Y Sun Z.-Y J . . 30030 1 2 M. Bhanu M. K. . . 30030 1 3 M. Allan M. . . . 30030 1 4 H. Arthanari H. . . . 30030 1 5 G. Wagner G. . . . 30030 1 6 J. Hanna J. . . . 30030 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30030 _Assembly.ID 1 _Assembly.Name 'CDC48-associated ubiquitin-like/zinc finger protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30030 1 2 'ZINC ION' 2 $entity_ZN B B no . . . . . . 30030 1 3 'ZINC ION' 2 $entity_ZN C C no . . . . . . 30030 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30030 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CDC48-associated ubiquitin-like/zinc finger protein 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 ; MLDVGKHCAYCRQLDFLPFH CSFCNEDFCSNHRLKEDHHC RWLLEHEEV ; _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 11-59' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6003.831 _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 'CDC48-associated UBL/Zn-finger protein 1' na 30030 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 11 MET . 30030 1 2 12 LEU . 30030 1 3 13 ASP . 30030 1 4 14 VAL . 30030 1 5 15 GLY . 30030 1 6 16 LYS . 30030 1 7 17 HIS . 30030 1 8 18 CYS . 30030 1 9 19 ALA . 30030 1 10 20 TYR . 30030 1 11 21 CYS . 30030 1 12 22 ARG . 30030 1 13 23 GLN . 30030 1 14 24 LEU . 30030 1 15 25 ASP . 30030 1 16 26 PHE . 30030 1 17 27 LEU . 30030 1 18 28 PRO . 30030 1 19 29 PHE . 30030 1 20 30 HIS . 30030 1 21 31 CYS . 30030 1 22 32 SER . 30030 1 23 33 PHE . 30030 1 24 34 CYS . 30030 1 25 35 ASN . 30030 1 26 36 GLU . 30030 1 27 37 ASP . 30030 1 28 38 PHE . 30030 1 29 39 CYS . 30030 1 30 40 SER . 30030 1 31 41 ASN . 30030 1 32 42 HIS . 30030 1 33 43 ARG . 30030 1 34 44 LEU . 30030 1 35 45 LYS . 30030 1 36 46 GLU . 30030 1 37 47 ASP . 30030 1 38 48 HIS . 30030 1 39 49 HIS . 30030 1 40 50 CYS . 30030 1 41 51 ARG . 30030 1 42 52 TRP . 30030 1 43 53 LEU . 30030 1 44 54 LEU . 30030 1 45 55 GLU . 30030 1 46 56 HIS . 30030 1 47 57 GLU . 30030 1 48 58 GLU . 30030 1 49 59 VAL . 30030 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 30030 1 . LEU 2 2 30030 1 . ASP 3 3 30030 1 . VAL 4 4 30030 1 . GLY 5 5 30030 1 . LYS 6 6 30030 1 . HIS 7 7 30030 1 . CYS 8 8 30030 1 . ALA 9 9 30030 1 . TYR 10 10 30030 1 . CYS 11 11 30030 1 . ARG 12 12 30030 1 . GLN 13 13 30030 1 . LEU 14 14 30030 1 . ASP 15 15 30030 1 . PHE 16 16 30030 1 . LEU 17 17 30030 1 . PRO 18 18 30030 1 . PHE 19 19 30030 1 . HIS 20 20 30030 1 . CYS 21 21 30030 1 . SER 22 22 30030 1 . PHE 23 23 30030 1 . CYS 24 24 30030 1 . ASN 25 25 30030 1 . GLU 26 26 30030 1 . ASP 27 27 30030 1 . PHE 28 28 30030 1 . CYS 29 29 30030 1 . SER 30 30 30030 1 . ASN 31 31 30030 1 . HIS 32 32 30030 1 . ARG 33 33 30030 1 . LEU 34 34 30030 1 . LYS 35 35 30030 1 . GLU 36 36 30030 1 . ASP 37 37 30030 1 . HIS 38 38 30030 1 . HIS 39 39 30030 1 . CYS 40 40 30030 1 . ARG 41 41 30030 1 . TRP 42 42 30030 1 . LEU 43 43 30030 1 . LEU 44 44 30030 1 . GLU 45 45 30030 1 . HIS 46 46 30030 1 . GLU 47 47 30030 1 . GLU 48 48 30030 1 . VAL 49 49 30030 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 30030 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 30030 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 30030 2 ZN 'Three letter code' 30030 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 30030 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 30030 _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 . 4932 organism . 'saccharomyces cerevisiae' 'bakers yeast' . . Eukaryota Fungi Saccharomyces Cerevisiae . . . . . . . . . . . '6xHIS-Cuz1-AN1-ZnF (residues 11-59) in pET45b' . 30030 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 30030 _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' . '6xHIS-Cuz1-AN1-ZnF (residues 11-59) in pET45b' 469008 Escherichia coli BL21 DE3 . pET45b . . pJH190 . . . 30030 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 30030 _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 30030 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 30030 ZN [Zn++] SMILES CACTVS 3.341 30030 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 30030 ZN [Zn+2] SMILES ACDLabs 10.04 30030 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 30030 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30030 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 30030 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30030 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 . 30030 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30030 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 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 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30030 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30030 1 3 Tris 'natural abundance' . . . . . . 5 . . mM . . . . 30030 1 4 ZnCl2 'natural abundance' . . . . . . 0.2 . . mM . . . . 30030 1 5 cuz1 '[U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 30030 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30030 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30030 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30030 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] cuz1, 5 mM Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM DTT, 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 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30030 2 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30030 2 3 Tris 'natural abundance' . . . . . . 5 . . mM . . . . 30030 2 4 ZnCl2 'natural abundance' . . . . . . 0.2 . . mM . . . . 30030 2 5 cuz1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 30030 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30030 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30030 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30030 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.85 mM cuz1, 5 mM [U-2H] Tris, 50 mM NaCl, 0.2 mM ZnCl2, 1 mM [U-2H] DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 DTT [U-2H] . . . . . . 1 . . mM . . . . 30030 3 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30030 3 3 Tris [U-2H] . . . . . . 5 . . mM . . . . 30030 3 4 ZnCl2 'natural abundance' . . . . . . 0.2 . . mM . . . . 30030 3 5 cuz1 'natural abundance' . . 1 $entity_1 . . 0.85 . . mM . . . . 30030 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30030 3 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 30030 _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' 50 . mM 30030 1 pH 7.5 . pH 30030 1 pressure 1 . atm 30030 1 temperature 298 . K 30030 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30030 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30030 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30030 1 . 'peak picking' 30030 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30030 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30030 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30030 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30030 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30030 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30030 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30030 _Software.ID 4 _Software.Type . _Software.Name hmsIST _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hyberts, S.G and Wagner, G' . . 30030 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30030 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 30030 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 30030 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 30030 _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 spectrometer_1 Agilent DD2 . 600 . . . 30030 1 2 spectrometer_2 Bruker AvanceIII . 750 . . . 30030 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 30030 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 9 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 12 '2D NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 30030 1 13 '2D TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 30030 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 1 16 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 30030 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 30030 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30030 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30030 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30030 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 30030 _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 3 '3D HNCA' . . . 30030 1 5 '3D HNCO' . . . 30030 1 7 '3D HNCACB' . . . 30030 1 9 '3D C(CO)NH' . . . 30030 1 11 '3D HCCH-TOCSY' . . . 30030 1 16 '2D 1H-13C HSQC aromatic' . . . 30030 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30030 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET N N 15 119.773 0.000 . 1 . . . 1 A 11 MET N . 30030 1 2 . 1 1 1 1 MET H H 1 7.970 0.000 . 1 . . . 1 A 11 MET H . 30030 1 3 . 1 1 1 1 MET CA C 13 55.576 0.000 . 1 . . . 1 A 11 MET CA . 30030 1 4 . 1 1 1 1 MET HA H 1 4.395 0.000 . 1 . . . 1 A 11 MET HA . 30030 1 5 . 1 1 1 1 MET CB C 13 32.577 0.000 . 1 . . . 1 A 11 MET CB . 30030 1 6 . 1 1 1 1 MET HB2 H 1 2.046 0.000 . 2 . . . 1 A 11 MET HB2 . 30030 1 7 . 1 1 1 1 MET HB3 H 1 1.986 0.000 . 2 . . . 1 A 11 MET HB3 . 30030 1 8 . 1 1 1 1 MET CG C 13 32.121 0.000 . 1 . . . 1 A 11 MET CG . 30030 1 9 . 1 1 1 1 MET HG2 H 1 2.533 0.000 . 2 . . . 1 A 11 MET HG2 . 30030 1 10 . 1 1 1 1 MET HG3 H 1 2.455 0.000 . 2 . . . 1 A 11 MET HG3 . 30030 1 11 . 1 1 1 1 MET C C 13 176.187 0.000 . 1 . . . 1 A 11 MET C . 30030 1 12 . 1 1 2 2 LEU N N 15 122.117 0.000 . 1 . . . 1 A 12 LEU N . 30030 1 13 . 1 1 2 2 LEU H H 1 7.995 0.000 . 1 . . . 1 A 12 LEU H . 30030 1 14 . 1 1 2 2 LEU CA C 13 55.474 0.000 . 1 . . . 1 A 12 LEU CA . 30030 1 15 . 1 1 2 2 LEU HA H 1 4.286 0.000 . 1 . . . 1 A 12 LEU HA . 30030 1 16 . 1 1 2 2 LEU CB C 13 42.474 0.000 . 1 . . . 1 A 12 LEU CB . 30030 1 17 . 1 1 2 2 LEU HB2 H 1 1.639 0.000 . 2 . . . 1 A 12 LEU HB2 . 30030 1 18 . 1 1 2 2 LEU HB3 H 1 1.535 0.000 . 2 . . . 1 A 12 LEU HB3 . 30030 1 19 . 1 1 2 2 LEU HG H 1 1.613 0.000 . 1 . . . 1 A 12 LEU HG . 30030 1 20 . 1 1 2 2 LEU HD11 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD11 . 30030 1 21 . 1 1 2 2 LEU HD12 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD12 . 30030 1 22 . 1 1 2 2 LEU HD13 H 1 0.847 0.000 . 2 . . . 1 A 12 LEU HD13 . 30030 1 23 . 1 1 2 2 LEU HD21 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD21 . 30030 1 24 . 1 1 2 2 LEU HD22 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD22 . 30030 1 25 . 1 1 2 2 LEU HD23 H 1 0.814 0.000 . 2 . . . 1 A 12 LEU HD23 . 30030 1 26 . 1 1 2 2 LEU CD1 C 13 25.077 0.000 . 2 . . . 1 A 12 LEU CD1 . 30030 1 27 . 1 1 2 2 LEU CD2 C 13 23.333 0.000 . 2 . . . 1 A 12 LEU CD2 . 30030 1 28 . 1 1 2 2 LEU C C 13 177.072 0.000 . 1 . . . 1 A 12 LEU C . 30030 1 29 . 1 1 3 3 ASP N N 15 120.380 0.000 . 1 . . . 1 A 13 ASP N . 30030 1 30 . 1 1 3 3 ASP H H 1 8.267 0.000 . 1 . . . 1 A 13 ASP H . 30030 1 31 . 1 1 3 3 ASP CA C 13 54.552 0.000 . 1 . . . 1 A 13 ASP CA . 30030 1 32 . 1 1 3 3 ASP HA H 1 4.630 0.000 . 1 . . . 1 A 13 ASP HA . 30030 1 33 . 1 1 3 3 ASP CB C 13 41.130 0.000 . 1 . . . 1 A 13 ASP CB . 30030 1 34 . 1 1 3 3 ASP HB2 H 1 2.733 0.000 . 2 . . . 1 A 13 ASP HB2 . 30030 1 35 . 1 1 3 3 ASP HB3 H 1 2.614 0.000 . 2 . . . 1 A 13 ASP HB3 . 30030 1 36 . 1 1 3 3 ASP C C 13 176.149 0.000 . 1 . . . 1 A 13 ASP C . 30030 1 37 . 1 1 4 4 VAL N N 15 117.840 0.000 . 1 . . . 1 A 14 VAL N . 30030 1 38 . 1 1 4 4 VAL H H 1 7.881 0.000 . 1 . . . 1 A 14 VAL H . 30030 1 39 . 1 1 4 4 VAL CA C 13 61.977 0.000 . 1 . . . 1 A 14 VAL CA . 30030 1 40 . 1 1 4 4 VAL HA H 1 4.233 0.000 . 1 . . . 1 A 14 VAL HA . 30030 1 41 . 1 1 4 4 VAL CB C 13 33.046 0.000 . 1 . . . 1 A 14 VAL CB . 30030 1 42 . 1 1 4 4 VAL HB H 1 2.169 0.000 . 1 . . . 1 A 14 VAL HB . 30030 1 43 . 1 1 4 4 VAL HG11 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG11 . 30030 1 44 . 1 1 4 4 VAL HG12 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG12 . 30030 1 45 . 1 1 4 4 VAL HG13 H 1 0.938 0.000 . 2 . . . 1 A 14 VAL HG13 . 30030 1 46 . 1 1 4 4 VAL HG21 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG21 . 30030 1 47 . 1 1 4 4 VAL HG22 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG22 . 30030 1 48 . 1 1 4 4 VAL HG23 H 1 0.923 0.000 . 2 . . . 1 A 14 VAL HG23 . 30030 1 49 . 1 1 4 4 VAL CG1 C 13 21.331 0.000 . 2 . . . 1 A 14 VAL CG1 . 30030 1 50 . 1 1 4 4 VAL CG2 C 13 20.053 0.000 . 2 . . . 1 A 14 VAL CG2 . 30030 1 51 . 1 1 4 4 VAL C C 13 176.128 0.000 . 1 . . . 1 A 14 VAL C . 30030 1 52 . 1 1 5 5 GLY N N 15 109.871 0.000 . 1 . . . 1 A 15 GLY N . 30030 1 53 . 1 1 5 5 GLY H H 1 8.212 0.000 . 1 . . . 1 A 15 GLY H . 30030 1 54 . 1 1 5 5 GLY CA C 13 44.873 0.000 . 1 . . . 1 A 15 GLY CA . 30030 1 55 . 1 1 5 5 GLY HA2 H 1 3.478 0.000 . 2 . . . 1 A 15 GLY HA2 . 30030 1 56 . 1 1 5 5 GLY HA3 H 1 3.822 0.000 . 2 . . . 1 A 15 GLY HA3 . 30030 1 57 . 1 1 5 5 GLY C C 13 172.973 0.000 . 1 . . . 1 A 15 GLY C . 30030 1 58 . 1 1 6 6 LYS N N 15 118.074 0.000 . 1 . . . 1 A 16 LYS N . 30030 1 59 . 1 1 6 6 LYS H H 1 7.830 0.000 . 1 . . . 1 A 16 LYS H . 30030 1 60 . 1 1 6 6 LYS CA C 13 54.426 0.000 . 1 . . . 1 A 16 LYS CA . 30030 1 61 . 1 1 6 6 LYS HA H 1 4.466 0.000 . 1 . . . 1 A 16 LYS HA . 30030 1 62 . 1 1 6 6 LYS CB C 13 35.858 0.000 . 1 . . . 1 A 16 LYS CB . 30030 1 63 . 1 1 6 6 LYS HB2 H 1 1.652 0.000 . 2 . . . 1 A 16 LYS HB2 . 30030 1 64 . 1 1 6 6 LYS HB3 H 1 1.342 0.000 . 2 . . . 1 A 16 LYS HB3 . 30030 1 65 . 1 1 6 6 LYS CG C 13 25.033 0.000 . 1 . . . 1 A 16 LYS CG . 30030 1 66 . 1 1 6 6 LYS HG2 H 1 1.328 0.000 . 1 . . . 1 A 16 LYS HG2 . 30030 1 67 . 1 1 6 6 LYS HG3 H 1 1.328 0.000 . 1 . . . 1 A 16 LYS HG3 . 30030 1 68 . 1 1 6 6 LYS CD C 13 28.930 0.000 . 1 . . . 1 A 16 LYS CD . 30030 1 69 . 1 1 6 6 LYS HD2 H 1 1.637 0.000 . 2 . . . 1 A 16 LYS HD2 . 30030 1 70 . 1 1 6 6 LYS HD3 H 1 1.509 0.000 . 2 . . . 1 A 16 LYS HD3 . 30030 1 71 . 1 1 6 6 LYS CE C 13 42.249 0.000 . 1 . . . 1 A 16 LYS CE . 30030 1 72 . 1 1 6 6 LYS HE2 H 1 2.909 0.000 . 1 . . . 1 A 16 LYS HE2 . 30030 1 73 . 1 1 6 6 LYS HE3 H 1 2.909 0.000 . 1 . . . 1 A 16 LYS HE3 . 30030 1 74 . 1 1 6 6 LYS C C 13 175.302 0.000 . 1 . . . 1 A 16 LYS C . 30030 1 75 . 1 1 7 7 HIS N N 15 120.052 0.000 . 1 . . . 1 A 17 HIS N . 30030 1 76 . 1 1 7 7 HIS H H 1 8.473 0.000 . 1 . . . 1 A 17 HIS H . 30030 1 77 . 1 1 7 7 HIS CA C 13 56.523 0.000 . 1 . . . 1 A 17 HIS CA . 30030 1 78 . 1 1 7 7 HIS HA H 1 4.392 0.000 . 1 . . . 1 A 17 HIS HA . 30030 1 79 . 1 1 7 7 HIS CB C 13 30.295 0.000 . 1 . . . 1 A 17 HIS CB . 30030 1 80 . 1 1 7 7 HIS HB2 H 1 2.746 0.000 . 2 . . . 1 A 17 HIS HB2 . 30030 1 81 . 1 1 7 7 HIS HB3 H 1 2.533 0.000 . 2 . . . 1 A 17 HIS HB3 . 30030 1 82 . 1 1 7 7 HIS HD2 H 1 7.007 0.000 . 1 . . . 1 A 17 HIS HD2 . 30030 1 83 . 1 1 7 7 HIS C C 13 174.302 0.000 . 1 . . . 1 A 17 HIS C . 30030 1 84 . 1 1 8 8 CYS N N 15 124.988 0.000 . 1 . . . 1 A 18 CYS N . 30030 1 85 . 1 1 8 8 CYS H H 1 8.638 0.000 . 1 . . . 1 A 18 CYS H . 30030 1 86 . 1 1 8 8 CYS CA C 13 59.126 0.000 . 1 . . . 1 A 18 CYS CA . 30030 1 87 . 1 1 8 8 CYS HA H 1 4.121 0.000 . 1 . . . 1 A 18 CYS HA . 30030 1 88 . 1 1 8 8 CYS CB C 13 32.273 0.000 . 1 . . . 1 A 18 CYS CB . 30030 1 89 . 1 1 8 8 CYS HB2 H 1 3.631 0.000 . 2 . . . 1 A 18 CYS HB2 . 30030 1 90 . 1 1 8 8 CYS HB3 H 1 3.151 0.000 . 2 . . . 1 A 18 CYS HB3 . 30030 1 91 . 1 1 8 8 CYS C C 13 177.561 0.000 . 1 . . . 1 A 18 CYS C . 30030 1 92 . 1 1 9 9 ALA N N 15 133.659 0.000 . 1 . . . 1 A 19 ALA N . 30030 1 93 . 1 1 9 9 ALA H H 1 9.189 0.000 . 1 . . . 1 A 19 ALA H . 30030 1 94 . 1 1 9 9 ALA CA C 13 54.931 0.000 . 1 . . . 1 A 19 ALA CA . 30030 1 95 . 1 1 9 9 ALA HA H 1 4.087 0.000 . 1 . . . 1 A 19 ALA HA . 30030 1 96 . 1 1 9 9 ALA HB1 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB1 . 30030 1 97 . 1 1 9 9 ALA HB2 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB2 . 30030 1 98 . 1 1 9 9 ALA HB3 H 1 1.241 0.000 . 1 . . . 1 A 19 ALA HB3 . 30030 1 99 . 1 1 9 9 ALA CB C 13 18.194 0.000 . 1 . . . 1 A 19 ALA CB . 30030 1 100 . 1 1 9 9 ALA C C 13 177.381 0.000 . 1 . . . 1 A 19 ALA C . 30030 1 101 . 1 1 10 10 TYR N N 15 119.187 0.000 . 1 . . . 1 A 20 TYR N . 30030 1 102 . 1 1 10 10 TYR H H 1 9.153 0.000 . 1 . . . 1 A 20 TYR H . 30030 1 103 . 1 1 10 10 TYR CA C 13 60.851 0.000 . 1 . . . 1 A 20 TYR CA . 30030 1 104 . 1 1 10 10 TYR HA H 1 4.710 0.000 . 1 . . . 1 A 20 TYR HA . 30030 1 105 . 1 1 10 10 TYR CB C 13 40.907 0.000 . 1 . . . 1 A 20 TYR CB . 30030 1 106 . 1 1 10 10 TYR HB2 H 1 3.327 0.000 . 2 . . . 1 A 20 TYR HB2 . 30030 1 107 . 1 1 10 10 TYR HB3 H 1 2.849 0.000 . 2 . . . 1 A 20 TYR HB3 . 30030 1 108 . 1 1 10 10 TYR HD1 H 1 6.301 0.000 . 3 . . . 1 A 20 TYR HD1 . 30030 1 109 . 1 1 10 10 TYR HD2 H 1 6.301 0.000 . 3 . . . 1 A 20 TYR HD2 . 30030 1 110 . 1 1 10 10 TYR HE1 H 1 6.552 0.000 . 3 . . . 1 A 20 TYR HE1 . 30030 1 111 . 1 1 10 10 TYR HE2 H 1 6.552 0.000 . 3 . . . 1 A 20 TYR HE2 . 30030 1 112 . 1 1 10 10 TYR CD1 C 13 132.042 0.000 . 3 . . . 1 A 20 TYR CD1 . 30030 1 113 . 1 1 10 10 TYR CE1 C 13 118.164 0.000 . 3 . . . 1 A 20 TYR CE1 . 30030 1 114 . 1 1 10 10 TYR C C 13 176.117 0.000 . 1 . . . 1 A 20 TYR C . 30030 1 115 . 1 1 11 11 CYS N N 15 117.957 0.000 . 1 . . . 1 A 21 CYS N . 30030 1 116 . 1 1 11 11 CYS H H 1 8.574 0.000 . 1 . . . 1 A 21 CYS H . 30030 1 117 . 1 1 11 11 CYS CA C 13 58.635 0.000 . 1 . . . 1 A 21 CYS CA . 30030 1 118 . 1 1 11 11 CYS HA H 1 4.860 0.000 . 1 . . . 1 A 21 CYS HA . 30030 1 119 . 1 1 11 11 CYS CB C 13 33.807 0.000 . 1 . . . 1 A 21 CYS CB . 30030 1 120 . 1 1 11 11 CYS HB2 H 1 3.578 0.000 . 2 . . . 1 A 21 CYS HB2 . 30030 1 121 . 1 1 11 11 CYS HB3 H 1 2.680 0.000 . 2 . . . 1 A 21 CYS HB3 . 30030 1 122 . 1 1 11 11 CYS C C 13 175.977 0.000 . 1 . . . 1 A 21 CYS C . 30030 1 123 . 1 1 12 12 ARG N N 15 116.961 0.000 . 1 . . . 1 A 22 ARG N . 30030 1 124 . 1 1 12 12 ARG H H 1 8.256 0.000 . 1 . . . 1 A 22 ARG H . 30030 1 125 . 1 1 12 12 ARG CA C 13 58.326 0.000 . 1 . . . 1 A 22 ARG CA . 30030 1 126 . 1 1 12 12 ARG HA H 1 4.139 0.000 . 1 . . . 1 A 22 ARG HA . 30030 1 127 . 1 1 12 12 ARG CB C 13 26.949 0.000 . 1 . . . 1 A 22 ARG CB . 30030 1 128 . 1 1 12 12 ARG HB2 H 1 2.213 0.000 . 2 . . . 1 A 22 ARG HB2 . 30030 1 129 . 1 1 12 12 ARG HB3 H 1 2.084 0.000 . 2 . . . 1 A 22 ARG HB3 . 30030 1 130 . 1 1 12 12 ARG CG C 13 27.156 0.000 . 1 . . . 1 A 22 ARG CG . 30030 1 131 . 1 1 12 12 ARG HG2 H 1 1.538 0.000 . 2 . . . 1 A 22 ARG HG2 . 30030 1 132 . 1 1 12 12 ARG HG3 H 1 1.462 0.000 . 2 . . . 1 A 22 ARG HG3 . 30030 1 133 . 1 1 12 12 ARG CD C 13 42.402 0.000 . 1 . . . 1 A 22 ARG CD . 30030 1 134 . 1 1 12 12 ARG HD2 H 1 3.083 0.000 . 2 . . . 1 A 22 ARG HD2 . 30030 1 135 . 1 1 12 12 ARG HD3 H 1 3.062 0.000 . 2 . . . 1 A 22 ARG HD3 . 30030 1 136 . 1 1 12 12 ARG C C 13 175.139 0.000 . 1 . . . 1 A 22 ARG C . 30030 1 137 . 1 1 13 13 GLN N N 15 122.430 0.000 . 1 . . . 1 A 23 GLN N . 30030 1 138 . 1 1 13 13 GLN H H 1 8.695 0.000 . 1 . . . 1 A 23 GLN H . 30030 1 139 . 1 1 13 13 GLN CA C 13 56.952 0.000 . 1 . . . 1 A 23 GLN CA . 30030 1 140 . 1 1 13 13 GLN HA H 1 4.384 0.000 . 1 . . . 1 A 23 GLN HA . 30030 1 141 . 1 1 13 13 GLN CB C 13 30.114 0.000 . 1 . . . 1 A 23 GLN CB . 30030 1 142 . 1 1 13 13 GLN HB2 H 1 2.369 0.000 . 2 . . . 1 A 23 GLN HB2 . 30030 1 143 . 1 1 13 13 GLN HB3 H 1 2.059 0.000 . 2 . . . 1 A 23 GLN HB3 . 30030 1 144 . 1 1 13 13 GLN CG C 13 34.427 0.000 . 1 . . . 1 A 23 GLN CG . 30030 1 145 . 1 1 13 13 GLN HG2 H 1 2.546 0.000 . 2 . . . 1 A 23 GLN HG2 . 30030 1 146 . 1 1 13 13 GLN HG3 H 1 2.493 0.000 . 2 . . . 1 A 23 GLN HG3 . 30030 1 147 . 1 1 13 13 GLN NE2 N 15 113.839 0.000 . 1 . . . 1 A 23 GLN NE2 . 30030 1 148 . 1 1 13 13 GLN HE21 H 1 7.773 0.000 . 2 . . . 1 A 23 GLN HE21 . 30030 1 149 . 1 1 13 13 GLN HE22 H 1 6.946 0.000 . 2 . . . 1 A 23 GLN HE22 . 30030 1 150 . 1 1 13 13 GLN C C 13 176.047 0.000 . 1 . . . 1 A 23 GLN C . 30030 1 151 . 1 1 14 14 LEU N N 15 126.349 0.000 . 1 . . . 1 A 24 LEU N . 30030 1 152 . 1 1 14 14 LEU H H 1 8.599 0.000 . 1 . . . 1 A 24 LEU H . 30030 1 153 . 1 1 14 14 LEU CA C 13 55.380 0.000 . 1 . . . 1 A 24 LEU CA . 30030 1 154 . 1 1 14 14 LEU HA H 1 3.933 0.000 . 1 . . . 1 A 24 LEU HA . 30030 1 155 . 1 1 14 14 LEU CB C 13 42.560 0.000 . 1 . . . 1 A 24 LEU CB . 30030 1 156 . 1 1 14 14 LEU HB2 H 1 1.436 0.000 . 2 . . . 1 A 24 LEU HB2 . 30030 1 157 . 1 1 14 14 LEU HB3 H 1 1.103 0.000 . 2 . . . 1 A 24 LEU HB3 . 30030 1 158 . 1 1 14 14 LEU CG C 13 26.691 0.000 . 1 . . . 1 A 24 LEU CG . 30030 1 159 . 1 1 14 14 LEU HG H 1 0.881 0.000 . 1 . . . 1 A 24 LEU HG . 30030 1 160 . 1 1 14 14 LEU HD11 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD11 . 30030 1 161 . 1 1 14 14 LEU HD12 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD12 . 30030 1 162 . 1 1 14 14 LEU HD13 H 1 0.515 0.000 . 2 . . . 1 A 24 LEU HD13 . 30030 1 163 . 1 1 14 14 LEU HD21 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD21 . 30030 1 164 . 1 1 14 14 LEU HD22 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD22 . 30030 1 165 . 1 1 14 14 LEU HD23 H 1 0.218 0.000 . 2 . . . 1 A 24 LEU HD23 . 30030 1 166 . 1 1 14 14 LEU CD1 C 13 24.994 0.000 . 2 . . . 1 A 24 LEU CD1 . 30030 1 167 . 1 1 14 14 LEU CD2 C 13 22.710 0.000 . 2 . . . 1 A 24 LEU CD2 . 30030 1 168 . 1 1 14 14 LEU C C 13 175.913 0.000 . 1 . . . 1 A 24 LEU C . 30030 1 169 . 1 1 15 15 ASP N N 15 127.166 0.000 . 1 . . . 1 A 25 ASP N . 30030 1 170 . 1 1 15 15 ASP H H 1 8.419 0.000 . 1 . . . 1 A 25 ASP H . 30030 1 171 . 1 1 15 15 ASP CA C 13 53.303 0.000 . 1 . . . 1 A 25 ASP CA . 30030 1 172 . 1 1 15 15 ASP HA H 1 4.676 0.000 . 1 . . . 1 A 25 ASP HA . 30030 1 173 . 1 1 15 15 ASP CB C 13 44.747 0.000 . 1 . . . 1 A 25 ASP CB . 30030 1 174 . 1 1 15 15 ASP HB2 H 1 2.507 0.000 . 2 . . . 1 A 25 ASP HB2 . 30030 1 175 . 1 1 15 15 ASP HB3 H 1 2.238 0.000 . 2 . . . 1 A 25 ASP HB3 . 30030 1 176 . 1 1 15 15 ASP C C 13 175.193 0.000 . 1 . . . 1 A 25 ASP C . 30030 1 177 . 1 1 16 16 PHE N N 15 123.189 0.000 . 1 . . . 1 A 26 PHE N . 30030 1 178 . 1 1 16 16 PHE H H 1 8.429 0.000 . 1 . . . 1 A 26 PHE H . 30030 1 179 . 1 1 16 16 PHE CA C 13 59.308 0.000 . 1 . . . 1 A 26 PHE CA . 30030 1 180 . 1 1 16 16 PHE HA H 1 4.411 0.000 . 1 . . . 1 A 26 PHE HA . 30030 1 181 . 1 1 16 16 PHE CB C 13 39.065 0.000 . 1 . . . 1 A 26 PHE CB . 30030 1 182 . 1 1 16 16 PHE HB2 H 1 3.262 0.000 . 2 . . . 1 A 26 PHE HB2 . 30030 1 183 . 1 1 16 16 PHE HB3 H 1 2.869 0.000 . 2 . . . 1 A 26 PHE HB3 . 30030 1 184 . 1 1 16 16 PHE HD1 H 1 7.184 0.000 . 3 . . . 1 A 26 PHE HD1 . 30030 1 185 . 1 1 16 16 PHE HD2 H 1 7.184 0.000 . 3 . . . 1 A 26 PHE HD2 . 30030 1 186 . 1 1 16 16 PHE HE1 H 1 7.249 0.000 . 3 . . . 1 A 26 PHE HE1 . 30030 1 187 . 1 1 16 16 PHE HE2 H 1 7.249 0.000 . 3 . . . 1 A 26 PHE HE2 . 30030 1 188 . 1 1 16 16 PHE CD1 C 13 131.372 0.000 . 3 . . . 1 A 26 PHE CD1 . 30030 1 189 . 1 1 16 16 PHE CE1 C 13 131.347 0.000 . 3 . . . 1 A 26 PHE CE1 . 30030 1 190 . 1 1 16 16 PHE CZ C 13 129.760 0.000 . 1 . . . 1 A 26 PHE CZ . 30030 1 191 . 1 1 16 16 PHE HZ H 1 7.205 0.000 . 1 . . . 1 A 26 PHE HZ . 30030 1 192 . 1 1 16 16 PHE C C 13 175.318 0.000 . 1 . . . 1 A 26 PHE C . 30030 1 193 . 1 1 17 17 LEU N N 15 123.172 0.000 . 1 . . . 1 A 27 LEU N . 30030 1 194 . 1 1 17 17 LEU H H 1 8.921 0.000 . 1 . . . 1 A 27 LEU H . 30030 1 195 . 1 1 17 17 LEU CA C 13 52.335 0.000 . 1 . . . 1 A 27 LEU CA . 30030 1 196 . 1 1 17 17 LEU HA H 1 4.666 0.000 . 1 . . . 1 A 27 LEU HA . 30030 1 197 . 1 1 17 17 LEU CB C 13 42.418 0.000 . 1 . . . 1 A 27 LEU CB . 30030 1 198 . 1 1 17 17 LEU HB2 H 1 1.624 0.000 . 2 . . . 1 A 27 LEU HB2 . 30030 1 199 . 1 1 17 17 LEU HB3 H 1 1.453 0.000 . 2 . . . 1 A 27 LEU HB3 . 30030 1 200 . 1 1 17 17 LEU CG C 13 26.664 0.000 . 1 . . . 1 A 27 LEU CG . 30030 1 201 . 1 1 17 17 LEU HG H 1 1.438 0.000 . 1 . . . 1 A 27 LEU HG . 30030 1 202 . 1 1 17 17 LEU HD11 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD11 . 30030 1 203 . 1 1 17 17 LEU HD12 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD12 . 30030 1 204 . 1 1 17 17 LEU HD13 H 1 0.902 0.000 . 2 . . . 1 A 27 LEU HD13 . 30030 1 205 . 1 1 17 17 LEU HD21 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD21 . 30030 1 206 . 1 1 17 17 LEU HD22 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD22 . 30030 1 207 . 1 1 17 17 LEU HD23 H 1 0.873 0.000 . 2 . . . 1 A 27 LEU HD23 . 30030 1 208 . 1 1 17 17 LEU CD1 C 13 24.434 0.000 . 2 . . . 1 A 27 LEU CD1 . 30030 1 209 . 1 1 17 17 LEU CD2 C 13 24.490 0.000 . 2 . . . 1 A 27 LEU CD2 . 30030 1 210 . 1 1 17 17 LEU C C 13 172.997 0.000 . 1 . . . 1 A 27 LEU C . 30030 1 211 . 1 1 18 18 PRO CD C 13 49.770 0.000 . 1 . . . 1 A 28 PRO CD . 30030 1 212 . 1 1 18 18 PRO CA C 13 63.018 0.000 . 1 . . . 1 A 28 PRO CA . 30030 1 213 . 1 1 18 18 PRO HA H 1 4.409 0.000 . 1 . . . 1 A 28 PRO HA . 30030 1 214 . 1 1 18 18 PRO CB C 13 32.879 0.000 . 1 . . . 1 A 28 PRO CB . 30030 1 215 . 1 1 18 18 PRO HB2 H 1 1.865 0.000 . 2 . . . 1 A 28 PRO HB2 . 30030 1 216 . 1 1 18 18 PRO HB3 H 1 1.734 0.000 . 2 . . . 1 A 28 PRO HB3 . 30030 1 217 . 1 1 18 18 PRO CG C 13 26.952 0.000 . 1 . . . 1 A 28 PRO CG . 30030 1 218 . 1 1 18 18 PRO HG2 H 1 1.850 0.000 . 2 . . . 1 A 28 PRO HG2 . 30030 1 219 . 1 1 18 18 PRO HG3 H 1 1.717 0.000 . 2 . . . 1 A 28 PRO HG3 . 30030 1 220 . 1 1 18 18 PRO HD2 H 1 3.443 0.000 . 1 . . . 1 A 28 PRO HD2 . 30030 1 221 . 1 1 18 18 PRO HD3 H 1 3.443 0.000 . 1 . . . 1 A 28 PRO HD3 . 30030 1 222 . 1 1 18 18 PRO C C 13 176.128 0.000 . 1 . . . 1 A 28 PRO C . 30030 1 223 . 1 1 19 19 PHE N N 15 121.004 0.000 . 1 . . . 1 A 29 PHE N . 30030 1 224 . 1 1 19 19 PHE H H 1 9.415 0.000 . 1 . . . 1 A 29 PHE H . 30030 1 225 . 1 1 19 19 PHE CA C 13 57.344 0.000 . 1 . . . 1 A 29 PHE CA . 30030 1 226 . 1 1 19 19 PHE HA H 1 4.598 0.000 . 1 . . . 1 A 29 PHE HA . 30030 1 227 . 1 1 19 19 PHE CB C 13 41.485 0.000 . 1 . . . 1 A 29 PHE CB . 30030 1 228 . 1 1 19 19 PHE HB2 H 1 2.956 0.000 . 1 . . . 1 A 29 PHE HB2 . 30030 1 229 . 1 1 19 19 PHE HB3 H 1 2.956 0.000 . 1 . . . 1 A 29 PHE HB3 . 30030 1 230 . 1 1 19 19 PHE HD1 H 1 7.295 0.000 . 3 . . . 1 A 29 PHE HD1 . 30030 1 231 . 1 1 19 19 PHE HD2 H 1 7.295 0.000 . 3 . . . 1 A 29 PHE HD2 . 30030 1 232 . 1 1 19 19 PHE HE1 H 1 7.447 0.000 . 3 . . . 1 A 29 PHE HE1 . 30030 1 233 . 1 1 19 19 PHE HE2 H 1 7.447 0.000 . 3 . . . 1 A 29 PHE HE2 . 30030 1 234 . 1 1 19 19 PHE CD1 C 13 131.984 0.000 . 3 . . . 1 A 29 PHE CD1 . 30030 1 235 . 1 1 19 19 PHE CE1 C 13 131.984 0.000 . 3 . . . 1 A 29 PHE CE1 . 30030 1 236 . 1 1 19 19 PHE CZ C 13 130.072 0.000 . 1 . . . 1 A 29 PHE CZ . 30030 1 237 . 1 1 19 19 PHE HZ H 1 7.421 0.000 . 1 . . . 1 A 29 PHE HZ . 30030 1 238 . 1 1 19 19 PHE C C 13 174.464 0.000 . 1 . . . 1 A 29 PHE C . 30030 1 239 . 1 1 20 20 HIS N N 15 126.259 0.000 . 1 . . . 1 A 30 HIS N . 30030 1 240 . 1 1 20 20 HIS H H 1 8.765 0.000 . 1 . . . 1 A 30 HIS H . 30030 1 241 . 1 1 20 20 HIS CA C 13 55.129 0.000 . 1 . . . 1 A 30 HIS CA . 30030 1 242 . 1 1 20 20 HIS HA H 1 5.116 0.000 . 1 . . . 1 A 30 HIS HA . 30030 1 243 . 1 1 20 20 HIS CB C 13 29.531 0.000 . 1 . . . 1 A 30 HIS CB . 30030 1 244 . 1 1 20 20 HIS HB2 H 1 3.072 0.000 . 2 . . . 1 A 30 HIS HB2 . 30030 1 245 . 1 1 20 20 HIS HB3 H 1 2.923 0.000 . 2 . . . 1 A 30 HIS HB3 . 30030 1 246 . 1 1 20 20 HIS ND1 N 15 178.714 0.000 . 1 . . . 1 A 30 HIS ND1 . 30030 1 247 . 1 1 20 20 HIS CD2 C 13 119.888 0.000 . 1 . . . 1 A 30 HIS CD2 . 30030 1 248 . 1 1 20 20 HIS CE1 C 13 136.395 0.000 . 1 . . . 1 A 30 HIS CE1 . 30030 1 249 . 1 1 20 20 HIS NE2 N 15 179.503 0.000 . 1 . . . 1 A 30 HIS NE2 . 30030 1 250 . 1 1 20 20 HIS HD2 H 1 6.845 0.000 . 1 . . . 1 A 30 HIS HD2 . 30030 1 251 . 1 1 20 20 HIS HE1 H 1 8.079 0.000 . 1 . . . 1 A 30 HIS HE1 . 30030 1 252 . 1 1 20 20 HIS C C 13 173.765 0.000 . 1 . . . 1 A 30 HIS C . 30030 1 253 . 1 1 21 21 CYS N N 15 131.375 0.000 . 1 . . . 1 A 31 CYS N . 30030 1 254 . 1 1 21 21 CYS H H 1 9.019 0.000 . 1 . . . 1 A 31 CYS H . 30030 1 255 . 1 1 21 21 CYS CA C 13 58.831 0.000 . 1 . . . 1 A 31 CYS CA . 30030 1 256 . 1 1 21 21 CYS HA H 1 4.689 0.000 . 1 . . . 1 A 31 CYS HA . 30030 1 257 . 1 1 21 21 CYS CB C 13 31.813 0.000 . 1 . . . 1 A 31 CYS CB . 30030 1 258 . 1 1 21 21 CYS HB2 H 1 3.731 0.000 . 2 . . . 1 A 31 CYS HB2 . 30030 1 259 . 1 1 21 21 CYS HB3 H 1 2.958 0.000 . 2 . . . 1 A 31 CYS HB3 . 30030 1 260 . 1 1 21 21 CYS C C 13 176.764 0.000 . 1 . . . 1 A 31 CYS C . 30030 1 261 . 1 1 22 22 SER N N 15 125.498 0.000 . 1 . . . 1 A 32 SER N . 30030 1 262 . 1 1 22 22 SER H H 1 9.116 0.000 . 1 . . . 1 A 32 SER H . 30030 1 263 . 1 1 22 22 SER CA C 13 60.382 0.000 . 1 . . . 1 A 32 SER CA . 30030 1 264 . 1 1 22 22 SER HA H 1 4.199 0.000 . 1 . . . 1 A 32 SER HA . 30030 1 265 . 1 1 22 22 SER CB C 13 62.931 0.000 . 1 . . . 1 A 32 SER CB . 30030 1 266 . 1 1 22 22 SER HB2 H 1 3.742 0.000 . 2 . . . 1 A 32 SER HB2 . 30030 1 267 . 1 1 22 22 SER HB3 H 1 3.662 0.000 . 2 . . . 1 A 32 SER HB3 . 30030 1 268 . 1 1 22 22 SER C C 13 173.556 0.000 . 1 . . . 1 A 32 SER C . 30030 1 269 . 1 1 23 23 PHE N N 15 121.941 0.000 . 1 . . . 1 A 33 PHE N . 30030 1 270 . 1 1 23 23 PHE H H 1 8.797 0.000 . 1 . . . 1 A 33 PHE H . 30030 1 271 . 1 1 23 23 PHE CA C 13 60.543 0.000 . 1 . . . 1 A 33 PHE CA . 30030 1 272 . 1 1 23 23 PHE HA H 1 4.028 0.000 . 1 . . . 1 A 33 PHE HA . 30030 1 273 . 1 1 23 23 PHE CB C 13 38.639 0.000 . 1 . . . 1 A 33 PHE CB . 30030 1 274 . 1 1 23 23 PHE HB2 H 1 2.995 0.000 . 2 . . . 1 A 33 PHE HB2 . 30030 1 275 . 1 1 23 23 PHE HB3 H 1 2.554 0.000 . 2 . . . 1 A 33 PHE HB3 . 30030 1 276 . 1 1 23 23 PHE HD1 H 1 6.404 0.000 . 3 . . . 1 A 33 PHE HD1 . 30030 1 277 . 1 1 23 23 PHE HD2 H 1 6.404 0.000 . 3 . . . 1 A 33 PHE HD2 . 30030 1 278 . 1 1 23 23 PHE HE1 H 1 7.001 0.000 . 3 . . . 1 A 33 PHE HE1 . 30030 1 279 . 1 1 23 23 PHE HE2 H 1 7.001 0.000 . 3 . . . 1 A 33 PHE HE2 . 30030 1 280 . 1 1 23 23 PHE CD1 C 13 131.923 0.000 . 3 . . . 1 A 33 PHE CD1 . 30030 1 281 . 1 1 23 23 PHE CE1 C 13 131.066 0.000 . 3 . . . 1 A 33 PHE CE1 . 30030 1 282 . 1 1 23 23 PHE CZ C 13 129.649 0.000 . 1 . . . 1 A 33 PHE CZ . 30030 1 283 . 1 1 23 23 PHE HZ H 1 7.072 0.000 . 1 . . . 1 A 33 PHE HZ . 30030 1 284 . 1 1 23 23 PHE C C 13 176.327 0.000 . 1 . . . 1 A 33 PHE C . 30030 1 285 . 1 1 24 24 CYS N N 15 116.575 0.000 . 1 . . . 1 A 34 CYS N . 30030 1 286 . 1 1 24 24 CYS H H 1 7.964 0.000 . 1 . . . 1 A 34 CYS H . 30030 1 287 . 1 1 24 24 CYS CA C 13 58.093 0.000 . 1 . . . 1 A 34 CYS CA . 30030 1 288 . 1 1 24 24 CYS HA H 1 5.026 0.000 . 1 . . . 1 A 34 CYS HA . 30030 1 289 . 1 1 24 24 CYS CB C 13 32.766 0.000 . 1 . . . 1 A 34 CYS CB . 30030 1 290 . 1 1 24 24 CYS HB2 H 1 3.592 0.000 . 2 . . . 1 A 34 CYS HB2 . 30030 1 291 . 1 1 24 24 CYS HB3 H 1 3.500 0.000 . 2 . . . 1 A 34 CYS HB3 . 30030 1 292 . 1 1 24 24 CYS C C 13 175.512 0.000 . 1 . . . 1 A 34 CYS C . 30030 1 293 . 1 1 25 25 ASN N N 15 119.305 0.000 . 1 . . . 1 A 35 ASN N . 30030 1 294 . 1 1 25 25 ASN H H 1 8.034 0.000 . 1 . . . 1 A 35 ASN H . 30030 1 295 . 1 1 25 25 ASN CA C 13 54.593 0.000 . 1 . . . 1 A 35 ASN CA . 30030 1 296 . 1 1 25 25 ASN HA H 1 4.282 0.000 . 1 . . . 1 A 35 ASN HA . 30030 1 297 . 1 1 25 25 ASN CB C 13 37.536 0.000 . 1 . . . 1 A 35 ASN CB . 30030 1 298 . 1 1 25 25 ASN HB2 H 1 3.303 0.000 . 2 . . . 1 A 35 ASN HB2 . 30030 1 299 . 1 1 25 25 ASN HB3 H 1 2.732 0.000 . 2 . . . 1 A 35 ASN HB3 . 30030 1 300 . 1 1 25 25 ASN ND2 N 15 112.273 0.000 . 1 . . . 1 A 35 ASN ND2 . 30030 1 301 . 1 1 25 25 ASN HD21 H 1 7.588 0.000 . 2 . . . 1 A 35 ASN HD21 . 30030 1 302 . 1 1 25 25 ASN HD22 H 1 6.755 0.000 . 2 . . . 1 A 35 ASN HD22 . 30030 1 303 . 1 1 25 25 ASN C C 13 173.416 0.000 . 1 . . . 1 A 35 ASN C . 30030 1 304 . 1 1 26 26 GLU N N 15 118.124 0.000 . 1 . . . 1 A 36 GLU N . 30030 1 305 . 1 1 26 26 GLU H H 1 7.252 0.000 . 1 . . . 1 A 36 GLU H . 30030 1 306 . 1 1 26 26 GLU CA C 13 54.734 0.000 . 1 . . . 1 A 36 GLU CA . 30030 1 307 . 1 1 26 26 GLU HA H 1 4.604 0.000 . 1 . . . 1 A 36 GLU HA . 30030 1 308 . 1 1 26 26 GLU CB C 13 32.856 0.000 . 1 . . . 1 A 36 GLU CB . 30030 1 309 . 1 1 26 26 GLU HB2 H 1 2.105 0.000 . 2 . . . 1 A 36 GLU HB2 . 30030 1 310 . 1 1 26 26 GLU HB3 H 1 1.467 0.000 . 2 . . . 1 A 36 GLU HB3 . 30030 1 311 . 1 1 26 26 GLU CG C 13 35.806 0.000 . 1 . . . 1 A 36 GLU CG . 30030 1 312 . 1 1 26 26 GLU HG2 H 1 2.283 0.000 . 2 . . . 1 A 36 GLU HG2 . 30030 1 313 . 1 1 26 26 GLU HG3 H 1 2.226 0.000 . 2 . . . 1 A 36 GLU HG3 . 30030 1 314 . 1 1 26 26 GLU C C 13 172.950 0.000 . 1 . . . 1 A 36 GLU C . 30030 1 315 . 1 1 27 27 ASP N N 15 118.267 0.000 . 1 . . . 1 A 37 ASP N . 30030 1 316 . 1 1 27 27 ASP H H 1 8.175 0.000 . 1 . . . 1 A 37 ASP H . 30030 1 317 . 1 1 27 27 ASP CA C 13 53.537 0.000 . 1 . . . 1 A 37 ASP CA . 30030 1 318 . 1 1 27 27 ASP HA H 1 5.466 0.000 . 1 . . . 1 A 37 ASP HA . 30030 1 319 . 1 1 27 27 ASP CB C 13 44.647 0.000 . 1 . . . 1 A 37 ASP CB . 30030 1 320 . 1 1 27 27 ASP HB2 H 1 2.290 0.000 . 2 . . . 1 A 37 ASP HB2 . 30030 1 321 . 1 1 27 27 ASP HB3 H 1 2.136 0.000 . 2 . . . 1 A 37 ASP HB3 . 30030 1 322 . 1 1 27 27 ASP C C 13 174.161 0.000 . 1 . . . 1 A 37 ASP C . 30030 1 323 . 1 1 28 28 PHE N N 15 116.492 0.000 . 1 . . . 1 A 38 PHE N . 30030 1 324 . 1 1 28 28 PHE H H 1 9.026 0.000 . 1 . . . 1 A 38 PHE H . 30030 1 325 . 1 1 28 28 PHE CA C 13 57.877 0.000 . 1 . . . 1 A 38 PHE CA . 30030 1 326 . 1 1 28 28 PHE HA H 1 5.662 0.000 . 1 . . . 1 A 38 PHE HA . 30030 1 327 . 1 1 28 28 PHE CB C 13 45.543 0.000 . 1 . . . 1 A 38 PHE CB . 30030 1 328 . 1 1 28 28 PHE HB2 H 1 3.412 0.000 . 2 . . . 1 A 38 PHE HB2 . 30030 1 329 . 1 1 28 28 PHE HB3 H 1 2.489 0.000 . 2 . . . 1 A 38 PHE HB3 . 30030 1 330 . 1 1 28 28 PHE CD1 C 13 130.313 0.000 . 3 . . . 1 A 38 PHE CD1 . 30030 1 331 . 1 1 28 28 PHE HD1 H 1 7.727 0.000 . 3 . . . 1 A 38 PHE HD1 . 30030 1 332 . 1 1 28 28 PHE CE1 C 13 132.529 0.000 . 3 . . . 1 A 38 PHE CE1 . 30030 1 333 . 1 1 28 28 PHE HE1 H 1 7.297 0.000 . 3 . . . 1 A 38 PHE HE1 . 30030 1 334 . 1 1 28 28 PHE CZ C 13 130.927 0.000 . 1 . . . 1 A 38 PHE CZ . 30030 1 335 . 1 1 28 28 PHE HZ H 1 6.918 0.000 . 1 . . . 1 A 38 PHE HZ . 30030 1 336 . 1 1 28 28 PHE CE2 C 13 131.423 0.000 . 3 . . . 1 A 38 PHE CE2 . 30030 1 337 . 1 1 28 28 PHE HE2 H 1 6.521 0.000 . 3 . . . 1 A 38 PHE HE2 . 30030 1 338 . 1 1 28 28 PHE CD2 C 13 131.502 0.000 . 3 . . . 1 A 38 PHE CD2 . 30030 1 339 . 1 1 28 28 PHE HD2 H 1 6.797 0.000 . 3 . . . 1 A 38 PHE HD2 . 30030 1 340 . 1 1 28 28 PHE C C 13 175.488 0.000 . 1 . . . 1 A 38 PHE C . 30030 1 341 . 1 1 29 29 CYS N N 15 117.430 0.000 . 1 . . . 1 A 39 CYS N . 30030 1 342 . 1 1 29 29 CYS H H 1 9.388 0.000 . 1 . . . 1 A 39 CYS H . 30030 1 343 . 1 1 29 29 CYS CA C 13 57.559 0.000 . 1 . . . 1 A 39 CYS CA . 30030 1 344 . 1 1 29 29 CYS HA H 1 5.112 0.000 . 1 . . . 1 A 39 CYS HA . 30030 1 345 . 1 1 29 29 CYS CB C 13 31.925 0.000 . 1 . . . 1 A 39 CYS CB . 30030 1 346 . 1 1 29 29 CYS HB2 H 1 3.710 0.000 . 2 . . . 1 A 39 CYS HB2 . 30030 1 347 . 1 1 29 29 CYS HB3 H 1 2.988 0.000 . 2 . . . 1 A 39 CYS HB3 . 30030 1 348 . 1 1 29 29 CYS C C 13 176.746 0.000 . 1 . . . 1 A 39 CYS C . 30030 1 349 . 1 1 30 30 SER N N 15 112.961 0.000 . 1 . . . 1 A 40 SER N . 30030 1 350 . 1 1 30 30 SER H H 1 8.651 0.000 . 1 . . . 1 A 40 SER H . 30030 1 351 . 1 1 30 30 SER CA C 13 62.020 0.000 . 1 . . . 1 A 40 SER CA . 30030 1 352 . 1 1 30 30 SER HA H 1 3.908 0.000 . 1 . . . 1 A 40 SER HA . 30030 1 353 . 1 1 30 30 SER CB C 13 62.951 0.000 . 1 . . . 1 A 40 SER CB . 30030 1 354 . 1 1 30 30 SER HB2 H 1 4.051 0.000 . 2 . . . 1 A 40 SER HB2 . 30030 1 355 . 1 1 30 30 SER HB3 H 1 4.010 0.000 . 2 . . . 1 A 40 SER HB3 . 30030 1 356 . 1 1 30 30 SER C C 13 176.829 0.000 . 1 . . . 1 A 40 SER C . 30030 1 357 . 1 1 31 31 ASN N N 15 118.191 0.000 . 1 . . . 1 A 41 ASN N . 30030 1 358 . 1 1 31 31 ASN H H 1 8.148 0.000 . 1 . . . 1 A 41 ASN H . 30030 1 359 . 1 1 31 31 ASN CA C 13 55.136 0.000 . 1 . . . 1 A 41 ASN CA . 30030 1 360 . 1 1 31 31 ASN HA H 1 4.446 0.000 . 1 . . . 1 A 41 ASN HA . 30030 1 361 . 1 1 31 31 ASN CB C 13 38.236 0.000 . 1 . . . 1 A 41 ASN CB . 30030 1 362 . 1 1 31 31 ASN HB2 H 1 2.180 0.000 . 1 . . . 1 A 41 ASN HB2 . 30030 1 363 . 1 1 31 31 ASN HB3 H 1 2.180 0.000 . 1 . . . 1 A 41 ASN HB3 . 30030 1 364 . 1 1 31 31 ASN ND2 N 15 114.441 0.000 . 1 . . . 1 A 41 ASN ND2 . 30030 1 365 . 1 1 31 31 ASN HD21 H 1 7.614 0.000 . 2 . . . 1 A 41 ASN HD21 . 30030 1 366 . 1 1 31 31 ASN HD22 H 1 7.031 0.000 . 2 . . . 1 A 41 ASN HD22 . 30030 1 367 . 1 1 31 31 ASN C C 13 176.606 0.000 . 1 . . . 1 A 41 ASN C . 30030 1 368 . 1 1 32 32 HIS N N 15 118.543 0.000 . 1 . . . 1 A 42 HIS N . 30030 1 369 . 1 1 32 32 HIS H H 1 7.970 0.000 . 1 . . . 1 A 42 HIS H . 30030 1 370 . 1 1 32 32 HIS CA C 13 57.119 0.000 . 1 . . . 1 A 42 HIS CA . 30030 1 371 . 1 1 32 32 HIS HA H 1 4.713 0.000 . 1 . . . 1 A 42 HIS HA . 30030 1 372 . 1 1 32 32 HIS CB C 13 32.070 0.000 . 1 . . . 1 A 42 HIS CB . 30030 1 373 . 1 1 32 32 HIS HB2 H 1 3.431 0.000 . 2 . . . 1 A 42 HIS HB2 . 30030 1 374 . 1 1 32 32 HIS HB3 H 1 3.250 0.000 . 2 . . . 1 A 42 HIS HB3 . 30030 1 375 . 1 1 32 32 HIS ND1 N 15 217.721 0.000 . 1 . . . 1 A 42 HIS ND1 . 30030 1 376 . 1 1 32 32 HIS CD2 C 13 119.893 0.000 . 1 . . . 1 A 42 HIS CD2 . 30030 1 377 . 1 1 32 32 HIS CE1 C 13 139.077 0.000 . 1 . . . 1 A 42 HIS CE1 . 30030 1 378 . 1 1 32 32 HIS NE2 N 15 172.002 0.000 . 1 . . . 1 A 42 HIS NE2 . 30030 1 379 . 1 1 32 32 HIS HD2 H 1 6.930 0.000 . 1 . . . 1 A 42 HIS HD2 . 30030 1 380 . 1 1 32 32 HIS HE1 H 1 8.161 0.000 . 1 . . . 1 A 42 HIS HE1 . 30030 1 381 . 1 1 32 32 HIS C C 13 172.973 0.000 . 1 . . . 1 A 42 HIS C . 30030 1 382 . 1 1 33 33 ARG N N 15 119.773 0.000 . 1 . . . 1 A 43 ARG N . 30030 1 383 . 1 1 33 33 ARG H H 1 7.086 0.000 . 1 . . . 1 A 43 ARG H . 30030 1 384 . 1 1 33 33 ARG CA C 13 59.670 0.000 . 1 . . . 1 A 43 ARG CA . 30030 1 385 . 1 1 33 33 ARG HA H 1 3.811 0.000 . 1 . . . 1 A 43 ARG HA . 30030 1 386 . 1 1 33 33 ARG CB C 13 30.461 0.000 . 1 . . . 1 A 43 ARG CB . 30030 1 387 . 1 1 33 33 ARG HB2 H 1 1.415 0.000 . 2 . . . 1 A 43 ARG HB2 . 30030 1 388 . 1 1 33 33 ARG HB3 H 1 1.329 0.000 . 2 . . . 1 A 43 ARG HB3 . 30030 1 389 . 1 1 33 33 ARG CG C 13 26.213 0.000 . 1 . . . 1 A 43 ARG CG . 30030 1 390 . 1 1 33 33 ARG HG2 H 1 1.384 0.000 . 2 . . . 1 A 43 ARG HG2 . 30030 1 391 . 1 1 33 33 ARG HG3 H 1 1.038 0.000 . 2 . . . 1 A 43 ARG HG3 . 30030 1 392 . 1 1 33 33 ARG CD C 13 43.147 0.000 . 1 . . . 1 A 43 ARG CD . 30030 1 393 . 1 1 33 33 ARG HD2 H 1 2.464 0.000 . 2 . . . 1 A 43 ARG HD2 . 30030 1 394 . 1 1 33 33 ARG HD3 H 1 2.427 0.000 . 2 . . . 1 A 43 ARG HD3 . 30030 1 395 . 1 1 33 33 ARG C C 13 176.490 0.000 . 1 . . . 1 A 43 ARG C . 30030 1 396 . 1 1 34 34 LEU N N 15 119.944 0.000 . 1 . . . 1 A 44 LEU N . 30030 1 397 . 1 1 34 34 LEU H H 1 8.481 0.000 . 1 . . . 1 A 44 LEU H . 30030 1 398 . 1 1 34 34 LEU CA C 13 55.046 0.000 . 1 . . . 1 A 44 LEU CA . 30030 1 399 . 1 1 34 34 LEU HA H 1 4.154 0.000 . 1 . . . 1 A 44 LEU HA . 30030 1 400 . 1 1 34 34 LEU CB C 13 40.285 0.000 . 1 . . . 1 A 44 LEU CB . 30030 1 401 . 1 1 34 34 LEU HB2 H 1 1.712 0.000 . 2 . . . 1 A 44 LEU HB2 . 30030 1 402 . 1 1 34 34 LEU HB3 H 1 1.400 0.000 . 2 . . . 1 A 44 LEU HB3 . 30030 1 403 . 1 1 34 34 LEU CG C 13 26.622 0.000 . 1 . . . 1 A 44 LEU CG . 30030 1 404 . 1 1 34 34 LEU HG H 1 1.607 0.000 . 1 . . . 1 A 44 LEU HG . 30030 1 405 . 1 1 34 34 LEU HD11 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD11 . 30030 1 406 . 1 1 34 34 LEU HD12 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD12 . 30030 1 407 . 1 1 34 34 LEU HD13 H 1 0.855 0.000 . 2 . . . 1 A 44 LEU HD13 . 30030 1 408 . 1 1 34 34 LEU HD21 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD21 . 30030 1 409 . 1 1 34 34 LEU HD22 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD22 . 30030 1 410 . 1 1 34 34 LEU HD23 H 1 0.799 0.000 . 2 . . . 1 A 44 LEU HD23 . 30030 1 411 . 1 1 34 34 LEU CD1 C 13 25.184 0.000 . 2 . . . 1 A 44 LEU CD1 . 30030 1 412 . 1 1 34 34 LEU CD2 C 13 22.352 0.000 . 2 . . . 1 A 44 LEU CD2 . 30030 1 413 . 1 1 34 34 LEU C C 13 178.725 0.000 . 1 . . . 1 A 44 LEU C . 30030 1 414 . 1 1 35 35 LYS N N 15 121.685 0.000 . 1 . . . 1 A 45 LYS N . 30030 1 415 . 1 1 35 35 LYS H H 1 8.537 0.000 . 1 . . . 1 A 45 LYS H . 30030 1 416 . 1 1 35 35 LYS CA C 13 60.555 0.000 . 1 . . . 1 A 45 LYS CA . 30030 1 417 . 1 1 35 35 LYS HA H 1 2.434 0.000 . 1 . . . 1 A 45 LYS HA . 30030 1 418 . 1 1 35 35 LYS CB C 13 32.221 0.000 . 1 . . . 1 A 45 LYS CB . 30030 1 419 . 1 1 35 35 LYS HB2 H 1 1.572 0.000 . 2 . . . 1 A 45 LYS HB2 . 30030 1 420 . 1 1 35 35 LYS HB3 H 1 1.274 0.000 . 2 . . . 1 A 45 LYS HB3 . 30030 1 421 . 1 1 35 35 LYS CG C 13 24.777 0.000 . 1 . . . 1 A 45 LYS CG . 30030 1 422 . 1 1 35 35 LYS HG2 H 1 1.725 0.000 . 2 . . . 1 A 45 LYS HG2 . 30030 1 423 . 1 1 35 35 LYS HG3 H 1 1.507 0.000 . 2 . . . 1 A 45 LYS HG3 . 30030 1 424 . 1 1 35 35 LYS CD C 13 29.398 0.000 . 1 . . . 1 A 45 LYS CD . 30030 1 425 . 1 1 35 35 LYS HD2 H 1 1.150 0.000 . 2 . . . 1 A 45 LYS HD2 . 30030 1 426 . 1 1 35 35 LYS HD3 H 1 1.122 0.000 . 2 . . . 1 A 45 LYS HD3 . 30030 1 427 . 1 1 35 35 LYS CE C 13 40.495 0.000 . 1 . . . 1 A 45 LYS CE . 30030 1 428 . 1 1 35 35 LYS HE2 H 1 2.294 0.000 . 2 . . . 1 A 45 LYS HE2 . 30030 1 429 . 1 1 35 35 LYS HE3 H 1 2.063 0.000 . 2 . . . 1 A 45 LYS HE3 . 30030 1 430 . 1 1 35 35 LYS C C 13 178.236 0.000 . 1 . . . 1 A 45 LYS C . 30030 1 431 . 1 1 36 36 GLU N N 15 116.444 0.000 . 1 . . . 1 A 46 GLU N . 30030 1 432 . 1 1 36 36 GLU H H 1 9.528 0.000 . 1 . . . 1 A 46 GLU H . 30030 1 433 . 1 1 36 36 GLU CA C 13 59.280 0.000 . 1 . . . 1 A 46 GLU CA . 30030 1 434 . 1 1 36 36 GLU HA H 1 3.677 0.000 . 1 . . . 1 A 46 GLU HA . 30030 1 435 . 1 1 36 36 GLU CB C 13 28.360 0.000 . 1 . . . 1 A 46 GLU CB . 30030 1 436 . 1 1 36 36 GLU HB2 H 1 1.793 0.000 . 2 . . . 1 A 46 GLU HB2 . 30030 1 437 . 1 1 36 36 GLU HB3 H 1 1.793 0.000 . 2 . . . 1 A 46 GLU HB3 . 30030 1 438 . 1 1 36 36 GLU CG C 13 36.525 0.000 . 1 . . . 1 A 46 GLU CG . 30030 1 439 . 1 1 36 36 GLU HG2 H 1 2.256 0.000 . 2 . . . 1 A 46 GLU HG2 . 30030 1 440 . 1 1 36 36 GLU HG3 H 1 2.107 0.000 . 2 . . . 1 A 46 GLU HG3 . 30030 1 441 . 1 1 36 36 GLU C C 13 178.143 0.000 . 1 . . . 1 A 46 GLU C . 30030 1 442 . 1 1 37 37 ASP N N 15 117.352 0.000 . 1 . . . 1 A 47 ASP N . 30030 1 443 . 1 1 37 37 ASP H H 1 6.878 0.000 . 1 . . . 1 A 47 ASP H . 30030 1 444 . 1 1 37 37 ASP CA C 13 55.586 0.000 . 1 . . . 1 A 47 ASP CA . 30030 1 445 . 1 1 37 37 ASP HA H 1 4.516 0.000 . 1 . . . 1 A 47 ASP HA . 30030 1 446 . 1 1 37 37 ASP CB C 13 41.444 0.000 . 1 . . . 1 A 47 ASP CB . 30030 1 447 . 1 1 37 37 ASP HB2 H 1 2.752 0.000 . 2 . . . 1 A 47 ASP HB2 . 30030 1 448 . 1 1 37 37 ASP HB3 H 1 2.536 0.000 . 2 . . . 1 A 47 ASP HB3 . 30030 1 449 . 1 1 37 37 ASP C C 13 176.420 0.000 . 1 . . . 1 A 47 ASP C . 30030 1 450 . 1 1 38 38 HIS N N 15 111.888 0.000 . 1 . . . 1 A 48 HIS N . 30030 1 451 . 1 1 38 38 HIS H H 1 7.003 0.000 . 1 . . . 1 A 48 HIS H . 30030 1 452 . 1 1 38 38 HIS CA C 13 54.165 0.000 . 1 . . . 1 A 48 HIS CA . 30030 1 453 . 1 1 38 38 HIS HA H 1 4.037 0.000 . 1 . . . 1 A 48 HIS HA . 30030 1 454 . 1 1 38 38 HIS CB C 13 28.080 0.000 . 1 . . . 1 A 48 HIS CB . 30030 1 455 . 1 1 38 38 HIS HB2 H 1 3.033 0.000 . 2 . . . 1 A 48 HIS HB2 . 30030 1 456 . 1 1 38 38 HIS HB3 H 1 2.433 0.000 . 2 . . . 1 A 48 HIS HB3 . 30030 1 457 . 1 1 38 38 HIS ND1 N 15 175.806 0.000 . 1 . . . 1 A 48 HIS ND1 . 30030 1 458 . 1 1 38 38 HIS CD2 C 13 128.715 0.000 . 1 . . . 1 A 48 HIS CD2 . 30030 1 459 . 1 1 38 38 HIS HD1 H 1 10.436 0.000 . 1 . . . 1 A 48 HIS HD1 . 30030 1 460 . 1 1 38 38 HIS CE1 C 13 136.782 0.000 . 1 . . . 1 A 48 HIS CE1 . 30030 1 461 . 1 1 38 38 HIS NE2 N 15 215.747 0.000 . 1 . . . 1 A 48 HIS NE2 . 30030 1 462 . 1 1 38 38 HIS HD2 H 1 6.402 0.000 . 1 . . . 1 A 48 HIS HD2 . 30030 1 463 . 1 1 38 38 HIS HE1 H 1 7.397 0.000 . 1 . . . 1 A 48 HIS HE1 . 30030 1 464 . 1 1 38 38 HIS C C 13 172.973 0.000 . 1 . . . 1 A 48 HIS C . 30030 1 465 . 1 1 39 39 HIS N N 15 118.133 0.000 . 1 . . . 1 A 49 HIS N . 30030 1 466 . 1 1 39 39 HIS H H 1 7.226 0.000 . 1 . . . 1 A 49 HIS H . 30030 1 467 . 1 1 39 39 HIS CA C 13 55.746 0.000 . 1 . . . 1 A 49 HIS CA . 30030 1 468 . 1 1 39 39 HIS HA H 1 3.828 0.000 . 1 . . . 1 A 49 HIS HA . 30030 1 469 . 1 1 39 39 HIS CB C 13 26.538 0.000 . 1 . . . 1 A 49 HIS CB . 30030 1 470 . 1 1 39 39 HIS HB2 H 1 3.220 0.000 . 1 . . . 1 A 49 HIS HB2 . 30030 1 471 . 1 1 39 39 HIS HB3 H 1 3.220 0.000 . 1 . . . 1 A 49 HIS HB3 . 30030 1 472 . 1 1 39 39 HIS ND1 N 15 186.373 0.000 . 1 . . . 1 A 49 HIS ND1 . 30030 1 473 . 1 1 39 39 HIS CD2 C 13 120.077 0.000 . 1 . . . 1 A 49 HIS CD2 . 30030 1 474 . 1 1 39 39 HIS CE1 C 13 136.171 0.000 . 1 . . . 1 A 49 HIS CE1 . 30030 1 475 . 1 1 39 39 HIS NE2 N 15 177.845 0.000 . 1 . . . 1 A 49 HIS NE2 . 30030 1 476 . 1 1 39 39 HIS HD2 H 1 6.818 0.000 . 1 . . . 1 A 49 HIS HD2 . 30030 1 477 . 1 1 39 39 HIS HE1 H 1 8.042 0.000 . 1 . . . 1 A 49 HIS HE1 . 30030 1 478 . 1 1 39 39 HIS C C 13 173.183 0.000 . 1 . . . 1 A 49 HIS C . 30030 1 479 . 1 1 40 40 CYS N N 15 117.917 0.000 . 1 . . . 1 A 50 CYS N . 30030 1 480 . 1 1 40 40 CYS H H 1 7.455 0.000 . 1 . . . 1 A 50 CYS H . 30030 1 481 . 1 1 40 40 CYS CA C 13 63.166 0.000 . 1 . . . 1 A 50 CYS CA . 30030 1 482 . 1 1 40 40 CYS HA H 1 3.998 0.000 . 1 . . . 1 A 50 CYS HA . 30030 1 483 . 1 1 40 40 CYS CB C 13 30.971 0.000 . 1 . . . 1 A 50 CYS CB . 30030 1 484 . 1 1 40 40 CYS HB2 H 1 2.543 0.000 . 2 . . . 1 A 50 CYS HB2 . 30030 1 485 . 1 1 40 40 CYS HB3 H 1 2.436 0.000 . 2 . . . 1 A 50 CYS HB3 . 30030 1 486 . 1 1 40 40 CYS C C 13 178.446 0.000 . 1 . . . 1 A 50 CYS C . 30030 1 487 . 1 1 41 41 ARG N N 15 131.668 0.000 . 1 . . . 1 A 51 ARG N . 30030 1 488 . 1 1 41 41 ARG H H 1 9.280 0.000 . 1 . . . 1 A 51 ARG H . 30030 1 489 . 1 1 41 41 ARG CA C 13 59.211 0.000 . 1 . . . 1 A 51 ARG CA . 30030 1 490 . 1 1 41 41 ARG HA H 1 4.203 0.000 . 1 . . . 1 A 51 ARG HA . 30030 1 491 . 1 1 41 41 ARG CB C 13 30.274 0.000 . 1 . . . 1 A 51 ARG CB . 30030 1 492 . 1 1 41 41 ARG HB2 H 1 2.125 0.000 . 2 . . . 1 A 51 ARG HB2 . 30030 1 493 . 1 1 41 41 ARG HB3 H 1 2.032 0.000 . 2 . . . 1 A 51 ARG HB3 . 30030 1 494 . 1 1 41 41 ARG CG C 13 27.391 0.000 . 1 . . . 1 A 51 ARG CG . 30030 1 495 . 1 1 41 41 ARG HG2 H 1 1.871 0.000 . 1 . . . 1 A 51 ARG HG2 . 30030 1 496 . 1 1 41 41 ARG HG3 H 1 1.871 0.000 . 1 . . . 1 A 51 ARG HG3 . 30030 1 497 . 1 1 41 41 ARG CD C 13 43.483 0.000 . 1 . . . 1 A 51 ARG CD . 30030 1 498 . 1 1 41 41 ARG HD2 H 1 3.374 0.000 . 1 . . . 1 A 51 ARG HD2 . 30030 1 499 . 1 1 41 41 ARG HD3 H 1 3.374 0.000 . 1 . . . 1 A 51 ARG HD3 . 30030 1 500 . 1 1 41 41 ARG C C 13 177.633 0.000 . 1 . . . 1 A 51 ARG C . 30030 1 501 . 1 1 42 42 TRP N N 15 121.530 0.000 . 1 . . . 1 A 52 TRP N . 30030 1 502 . 1 1 42 42 TRP H H 1 8.542 0.000 . 1 . . . 1 A 52 TRP H . 30030 1 503 . 1 1 42 42 TRP CA C 13 61.099 0.000 . 1 . . . 1 A 52 TRP CA . 30030 1 504 . 1 1 42 42 TRP HA H 1 4.370 0.000 . 1 . . . 1 A 52 TRP HA . 30030 1 505 . 1 1 42 42 TRP CB C 13 31.152 0.000 . 1 . . . 1 A 52 TRP CB . 30030 1 506 . 1 1 42 42 TRP HB2 H 1 3.541 0.000 . 2 . . . 1 A 52 TRP HB2 . 30030 1 507 . 1 1 42 42 TRP HB3 H 1 3.240 0.000 . 2 . . . 1 A 52 TRP HB3 . 30030 1 508 . 1 1 42 42 TRP CD1 C 13 127.533 0.000 . 1 . . . 1 A 52 TRP CD1 . 30030 1 509 . 1 1 42 42 TRP CE3 C 13 119.715 0.000 . 1 . . . 1 A 52 TRP CE3 . 30030 1 510 . 1 1 42 42 TRP NE1 N 15 130.203 0.000 . 1 . . . 1 A 52 TRP NE1 . 30030 1 511 . 1 1 42 42 TRP HD1 H 1 7.237 0.000 . 1 . . . 1 A 52 TRP HD1 . 30030 1 512 . 1 1 42 42 TRP HE3 H 1 7.113 0.000 . 1 . . . 1 A 52 TRP HE3 . 30030 1 513 . 1 1 42 42 TRP CZ3 C 13 121.754 0.000 . 1 . . . 1 A 52 TRP CZ3 . 30030 1 514 . 1 1 42 42 TRP CZ2 C 13 114.741 0.000 . 1 . . . 1 A 52 TRP CZ2 . 30030 1 515 . 1 1 42 42 TRP HE1 H 1 10.214 0.000 . 1 . . . 1 A 52 TRP HE1 . 30030 1 516 . 1 1 42 42 TRP HZ3 H 1 6.844 0.000 . 1 . . . 1 A 52 TRP HZ3 . 30030 1 517 . 1 1 42 42 TRP CH2 C 13 124.585 0.000 . 1 . . . 1 A 52 TRP CH2 . 30030 1 518 . 1 1 42 42 TRP HZ2 H 1 7.313 0.000 . 1 . . . 1 A 52 TRP HZ2 . 30030 1 519 . 1 1 42 42 TRP HH2 H 1 7.021 0.000 . 1 . . . 1 A 52 TRP HH2 . 30030 1 520 . 1 1 42 42 TRP C C 13 178.259 0.000 . 1 . . . 1 A 52 TRP C . 30030 1 521 . 1 1 43 43 LEU N N 15 116.211 0.000 . 1 . . . 1 A 53 LEU N . 30030 1 522 . 1 1 43 43 LEU H H 1 7.646 0.000 . 1 . . . 1 A 53 LEU H . 30030 1 523 . 1 1 43 43 LEU CA C 13 56.737 0.000 . 1 . . . 1 A 53 LEU CA . 30030 1 524 . 1 1 43 43 LEU HA H 1 3.950 0.000 . 1 . . . 1 A 53 LEU HA . 30030 1 525 . 1 1 43 43 LEU CB C 13 41.934 0.000 . 1 . . . 1 A 53 LEU CB . 30030 1 526 . 1 1 43 43 LEU HB2 H 1 1.811 0.000 . 2 . . . 1 A 53 LEU HB2 . 30030 1 527 . 1 1 43 43 LEU HB3 H 1 1.565 0.000 . 2 . . . 1 A 53 LEU HB3 . 30030 1 528 . 1 1 43 43 LEU CG C 13 27.493 0.000 . 1 . . . 1 A 53 LEU CG . 30030 1 529 . 1 1 43 43 LEU HG H 1 1.561 0.000 . 1 . . . 1 A 53 LEU HG . 30030 1 530 . 1 1 43 43 LEU HD11 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD11 . 30030 1 531 . 1 1 43 43 LEU HD12 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD12 . 30030 1 532 . 1 1 43 43 LEU HD13 H 1 0.775 0.000 . 2 . . . 1 A 53 LEU HD13 . 30030 1 533 . 1 1 43 43 LEU HD21 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD21 . 30030 1 534 . 1 1 43 43 LEU HD22 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD22 . 30030 1 535 . 1 1 43 43 LEU HD23 H 1 0.906 0.000 . 2 . . . 1 A 53 LEU HD23 . 30030 1 536 . 1 1 43 43 LEU CD1 C 13 25.344 0.000 . 2 . . . 1 A 53 LEU CD1 . 30030 1 537 . 1 1 43 43 LEU CD2 C 13 23.231 0.000 . 2 . . . 1 A 53 LEU CD2 . 30030 1 538 . 1 1 43 43 LEU C C 13 178.166 0.000 . 1 . . . 1 A 53 LEU C . 30030 1 539 . 1 1 44 44 LEU N N 15 117.852 0.000 . 1 . . . 1 A 54 LEU N . 30030 1 540 . 1 1 44 44 LEU H H 1 7.397 0.000 . 1 . . . 1 A 54 LEU H . 30030 1 541 . 1 1 44 44 LEU CA C 13 56.205 0.000 . 1 . . . 1 A 54 LEU CA . 30030 1 542 . 1 1 44 44 LEU HA H 1 4.163 0.000 . 1 . . . 1 A 54 LEU HA . 30030 1 543 . 1 1 44 44 LEU CB C 13 42.037 0.000 . 1 . . . 1 A 54 LEU CB . 30030 1 544 . 1 1 44 44 LEU HB2 H 1 1.789 0.000 . 2 . . . 1 A 54 LEU HB2 . 30030 1 545 . 1 1 44 44 LEU HB3 H 1 1.601 0.000 . 2 . . . 1 A 54 LEU HB3 . 30030 1 546 . 1 1 44 44 LEU CG C 13 27.014 0.000 . 1 . . . 1 A 54 LEU CG . 30030 1 547 . 1 1 44 44 LEU HG H 1 1.633 0.000 . 1 . . . 1 A 54 LEU HG . 30030 1 548 . 1 1 44 44 LEU HD11 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD11 . 30030 1 549 . 1 1 44 44 LEU HD12 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD12 . 30030 1 550 . 1 1 44 44 LEU HD13 H 1 0.918 0.000 . 2 . . . 1 A 54 LEU HD13 . 30030 1 551 . 1 1 44 44 LEU HD21 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD21 . 30030 1 552 . 1 1 44 44 LEU HD22 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD22 . 30030 1 553 . 1 1 44 44 LEU HD23 H 1 0.822 0.000 . 2 . . . 1 A 54 LEU HD23 . 30030 1 554 . 1 1 44 44 LEU CD1 C 13 25.077 0.000 . 2 . . . 1 A 54 LEU CD1 . 30030 1 555 . 1 1 44 44 LEU CD2 C 13 23.029 0.000 . 2 . . . 1 A 54 LEU CD2 . 30030 1 556 . 1 1 44 44 LEU C C 13 178.306 0.000 . 1 . . . 1 A 54 LEU C . 30030 1 557 . 1 1 45 45 GLU N N 15 116.902 0.000 . 1 . . . 1 A 55 GLU N . 30030 1 558 . 1 1 45 45 GLU H H 1 7.553 0.000 . 1 . . . 1 A 55 GLU H . 30030 1 559 . 1 1 45 45 GLU CA C 13 56.492 0.000 . 1 . . . 1 A 55 GLU CA . 30030 1 560 . 1 1 45 45 GLU HA H 1 4.147 0.000 . 1 . . . 1 A 55 GLU HA . 30030 1 561 . 1 1 45 45 GLU CB C 13 30.655 0.000 . 1 . . . 1 A 55 GLU CB . 30030 1 562 . 1 1 45 45 GLU HB2 H 1 1.816 0.000 . 2 . . . 1 A 55 GLU HB2 . 30030 1 563 . 1 1 45 45 GLU HB3 H 1 1.710 0.000 . 2 . . . 1 A 55 GLU HB3 . 30030 1 564 . 1 1 45 45 GLU CG C 13 36.412 0.000 . 1 . . . 1 A 55 GLU CG . 30030 1 565 . 1 1 45 45 GLU HG2 H 1 2.212 0.000 . 2 . . . 1 A 55 GLU HG2 . 30030 1 566 . 1 1 45 45 GLU HG3 H 1 2.067 0.000 . 2 . . . 1 A 55 GLU HG3 . 30030 1 567 . 1 1 45 45 GLU C C 13 175.907 0.000 . 1 . . . 1 A 55 GLU C . 30030 1 568 . 1 1 46 46 HIS N N 15 117.411 0.000 . 1 . . . 1 A 56 HIS N . 30030 1 569 . 1 1 46 46 HIS H H 1 7.595 0.000 . 1 . . . 1 A 56 HIS H . 30030 1 570 . 1 1 46 46 HIS CA C 13 55.576 0.000 . 1 . . . 1 A 56 HIS CA . 30030 1 571 . 1 1 46 46 HIS HA H 1 4.415 0.000 . 1 . . . 1 A 56 HIS HA . 30030 1 572 . 1 1 46 46 HIS CB C 13 29.063 0.000 . 1 . . . 1 A 56 HIS CB . 30030 1 573 . 1 1 46 46 HIS HB2 H 1 2.706 0.000 . 2 . . . 1 A 56 HIS HB2 . 30030 1 574 . 1 1 46 46 HIS HB3 H 1 2.218 0.000 . 2 . . . 1 A 56 HIS HB3 . 30030 1 575 . 1 1 46 46 HIS ND1 N 15 192.381 0.000 . 1 . . . 1 A 56 HIS ND1 . 30030 1 576 . 1 1 46 46 HIS CD2 C 13 119.297 0.000 . 1 . . . 1 A 56 HIS CD2 . 30030 1 577 . 1 1 46 46 HIS CE1 C 13 136.704 0.000 . 1 . . . 1 A 56 HIS CE1 . 30030 1 578 . 1 1 46 46 HIS NE2 N 15 176.266 0.000 . 1 . . . 1 A 56 HIS NE2 . 30030 1 579 . 1 1 46 46 HIS HD2 H 1 6.728 0.000 . 1 . . . 1 A 56 HIS HD2 . 30030 1 580 . 1 1 46 46 HIS HE1 H 1 8.316 0.000 . 1 . . . 1 A 56 HIS HE1 . 30030 1 581 . 1 1 46 46 HIS C C 13 173.672 0.000 . 1 . . . 1 A 56 HIS C . 30030 1 582 . 1 1 47 47 GLU N N 15 121.390 0.000 . 1 . . . 1 A 57 GLU N . 30030 1 583 . 1 1 47 47 GLU H H 1 8.072 0.000 . 1 . . . 1 A 57 GLU H . 30030 1 584 . 1 1 47 47 GLU CA C 13 56.352 0.000 . 1 . . . 1 A 57 GLU CA . 30030 1 585 . 1 1 47 47 GLU HA H 1 4.254 0.000 . 1 . . . 1 A 57 GLU HA . 30030 1 586 . 1 1 47 47 GLU CB C 13 30.704 0.000 . 1 . . . 1 A 57 GLU CB . 30030 1 587 . 1 1 47 47 GLU HB2 H 1 1.972 0.000 . 2 . . . 1 A 57 GLU HB2 . 30030 1 588 . 1 1 47 47 GLU HB3 H 1 1.872 0.000 . 2 . . . 1 A 57 GLU HB3 . 30030 1 589 . 1 1 47 47 GLU CG C 13 36.287 0.000 . 1 . . . 1 A 57 GLU CG . 30030 1 590 . 1 1 47 47 GLU HG2 H 1 2.208 0.000 . 2 . . . 1 A 57 GLU HG2 . 30030 1 591 . 1 1 47 47 GLU HG3 H 1 2.158 0.000 . 2 . . . 1 A 57 GLU HG3 . 30030 1 592 . 1 1 47 47 GLU C C 13 176.094 0.000 . 1 . . . 1 A 57 GLU C . 30030 1 593 . 1 1 48 48 GLU N N 15 123.199 0.000 . 1 . . . 1 A 58 GLU N . 30030 1 594 . 1 1 48 48 GLU H H 1 8.494 0.000 . 1 . . . 1 A 58 GLU H . 30030 1 595 . 1 1 48 48 GLU CA C 13 56.511 0.000 . 1 . . . 1 A 58 GLU CA . 30030 1 596 . 1 1 48 48 GLU HA H 1 4.360 0.000 . 1 . . . 1 A 58 GLU HA . 30030 1 597 . 1 1 48 48 GLU CB C 13 30.351 0.000 . 1 . . . 1 A 58 GLU CB . 30030 1 598 . 1 1 48 48 GLU HB2 H 1 2.054 0.000 . 2 . . . 1 A 58 GLU HB2 . 30030 1 599 . 1 1 48 48 GLU HB3 H 1 1.908 0.000 . 2 . . . 1 A 58 GLU HB3 . 30030 1 600 . 1 1 48 48 GLU CG C 13 36.290 0.000 . 1 . . . 1 A 58 GLU CG . 30030 1 601 . 1 1 48 48 GLU HG2 H 1 2.283 0.000 . 2 . . . 1 A 58 GLU HG2 . 30030 1 602 . 1 1 48 48 GLU HG3 H 1 2.221 0.000 . 2 . . . 1 A 58 GLU HG3 . 30030 1 603 . 1 1 48 48 GLU C C 13 175.512 0.000 . 1 . . . 1 A 58 GLU C . 30030 1 604 . 1 1 49 49 VAL N N 15 125.675 0.000 . 1 . . . 1 A 59 VAL N . 30030 1 605 . 1 1 49 49 VAL H H 1 7.785 0.000 . 1 . . . 1 A 59 VAL H . 30030 1 606 . 1 1 49 49 VAL CA C 13 63.582 0.000 . 1 . . . 1 A 59 VAL CA . 30030 1 607 . 1 1 49 49 VAL HA H 1 4.050 0.000 . 1 . . . 1 A 59 VAL HA . 30030 1 608 . 1 1 49 49 VAL CB C 13 33.290 0.000 . 1 . . . 1 A 59 VAL CB . 30030 1 609 . 1 1 49 49 VAL HB H 1 2.079 0.000 . 1 . . . 1 A 59 VAL HB . 30030 1 610 . 1 1 49 49 VAL HG11 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG11 . 30030 1 611 . 1 1 49 49 VAL HG12 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG12 . 30030 1 612 . 1 1 49 49 VAL HG13 H 1 0.890 0.000 . 2 . . . 1 A 59 VAL HG13 . 30030 1 613 . 1 1 49 49 VAL HG21 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG21 . 30030 1 614 . 1 1 49 49 VAL HG22 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG22 . 30030 1 615 . 1 1 49 49 VAL HG23 H 1 0.871 0.000 . 2 . . . 1 A 59 VAL HG23 . 30030 1 616 . 1 1 49 49 VAL CG1 C 13 21.631 0.000 . 2 . . . 1 A 59 VAL CG1 . 30030 1 617 . 1 1 49 49 VAL CG2 C 13 20.107 0.000 . 2 . . . 1 A 59 VAL CG2 . 30030 1 618 . 1 1 49 49 VAL C C 13 181.007 0.000 . 1 . . . 1 A 59 VAL C . 30030 1 stop_ save_