data_17609 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17609 _Entry.Title ; Chemical shift assignment of Hr4436B from Homo Sapiens, Northeast ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-28 _Entry.Accession_date 2011-04-28 _Entry.Last_release_date 2011-06-01 _Entry.Original_release_date 2011-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The NESG target Hr4436B contains two C2H2 zinc finger motifs between residues 539 and 601 of the Homo sapiens B-cell lymphoma 6 protein. Correlation time measurements using cross-correlation based NMR spin relaxation experiments suggest that the two zinc finger motifs are connected by a flexible loop and not restricted with respect to one another. Therefore the positions of domains with respect to one another in the structures reported are not significant.' _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 Hsiau-Wei Lee . . . 17609 2 Ritu Shastry . . . 17609 3 Colleen Ciccosanti . . . 17609 4 Haleema Janjua . . . 17609 5 Thomas Acton . B. . 17609 6 Rong Xiao . . . 17609 7 John Everett . K. . 17609 8 Gaetano Montelione . T. . 17609 9 James Prestegard . H. . 17609 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17609 . 'not applicable' 'University of Georgia' . 17609 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID C2H2 . 17609 Hr4436B . 17609 Zinc . 17609 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17609 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 17609 '15N chemical shifts' 67 17609 '1H chemical shifts' 343 17609 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 . . 2011-06-01 2011-04-28 original author . 17609 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCE 'BMRB Entry Tracking System' 17609 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17609 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Hr4436B.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hsiau-Wei Lee . . . 17609 1 2 Gaetano Montelione . T. . 17609 1 3 James Prestegard . H. . 17609 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17609 _Assembly.ID 1 _Assembly.Name Hr4436B _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 Hr4436B 1 $Hr4436B A . yes native no no . . . 17609 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 17609 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 17609 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hr4436B _Entity.Sf_category entity _Entity.Sf_framecode Hr4436B _Entity.Entry_ID 17609 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hr4436B _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 ; MGHHHHHHSHMTHSDKPYKC DRCQASFRYKGNLASHKTVH TGEKPYRCNICGAQFNRPAN LKTHTRIHSGEKPY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'MGHHHHHHSH are at N-terminal as part of His-Tag. It is not include in the coordinate file.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID no _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7397.479 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . . EMBL BCL6_HUMAN . Hr4436B . . . . . . . . . . . . . . 17609 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17609 1 2 . GLY . 17609 1 3 . HIS . 17609 1 4 . HIS . 17609 1 5 . HIS . 17609 1 6 . HIS . 17609 1 7 . HIS . 17609 1 8 . HIS . 17609 1 9 . SER . 17609 1 10 . HIS . 17609 1 11 . MET . 17609 1 12 . THR . 17609 1 13 . HIS . 17609 1 14 . SER . 17609 1 15 . ASP . 17609 1 16 . LYS . 17609 1 17 . PRO . 17609 1 18 . TYR . 17609 1 19 . LYS . 17609 1 20 . CYS . 17609 1 21 . ASP . 17609 1 22 . ARG . 17609 1 23 . CYS . 17609 1 24 . GLN . 17609 1 25 . ALA . 17609 1 26 . SER . 17609 1 27 . PHE . 17609 1 28 . ARG . 17609 1 29 . TYR . 17609 1 30 . LYS . 17609 1 31 . GLY . 17609 1 32 . ASN . 17609 1 33 . LEU . 17609 1 34 . ALA . 17609 1 35 . SER . 17609 1 36 . HIS . 17609 1 37 . LYS . 17609 1 38 . THR . 17609 1 39 . VAL . 17609 1 40 . HIS . 17609 1 41 . THR . 17609 1 42 . GLY . 17609 1 43 . GLU . 17609 1 44 . LYS . 17609 1 45 . PRO . 17609 1 46 . TYR . 17609 1 47 . ARG . 17609 1 48 . CYS . 17609 1 49 . ASN . 17609 1 50 . ILE . 17609 1 51 . CYS . 17609 1 52 . GLY . 17609 1 53 . ALA . 17609 1 54 . GLN . 17609 1 55 . PHE . 17609 1 56 . ASN . 17609 1 57 . ARG . 17609 1 58 . PRO . 17609 1 59 . ALA . 17609 1 60 . ASN . 17609 1 61 . LEU . 17609 1 62 . LYS . 17609 1 63 . THR . 17609 1 64 . HIS . 17609 1 65 . THR . 17609 1 66 . ARG . 17609 1 67 . ILE . 17609 1 68 . HIS . 17609 1 69 . SER . 17609 1 70 . GLY . 17609 1 71 . GLU . 17609 1 72 . LYS . 17609 1 73 . PRO . 17609 1 74 . TYR . 17609 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 17609 1 . GLY 2 2 17609 1 . HIS 3 3 17609 1 . HIS 4 4 17609 1 . HIS 5 5 17609 1 . HIS 6 6 17609 1 . HIS 7 7 17609 1 . HIS 8 8 17609 1 . SER 9 9 17609 1 . HIS 10 10 17609 1 . MET 11 11 17609 1 . THR 12 12 17609 1 . HIS 13 13 17609 1 . SER 14 14 17609 1 . ASP 15 15 17609 1 . LYS 16 16 17609 1 . PRO 17 17 17609 1 . TYR 18 18 17609 1 . LYS 19 19 17609 1 . CYS 20 20 17609 1 . ASP 21 21 17609 1 . ARG 22 22 17609 1 . CYS 23 23 17609 1 . GLN 24 24 17609 1 . ALA 25 25 17609 1 . SER 26 26 17609 1 . PHE 27 27 17609 1 . ARG 28 28 17609 1 . TYR 29 29 17609 1 . LYS 30 30 17609 1 . GLY 31 31 17609 1 . ASN 32 32 17609 1 . LEU 33 33 17609 1 . ALA 34 34 17609 1 . SER 35 35 17609 1 . HIS 36 36 17609 1 . LYS 37 37 17609 1 . THR 38 38 17609 1 . VAL 39 39 17609 1 . HIS 40 40 17609 1 . THR 41 41 17609 1 . GLY 42 42 17609 1 . GLU 43 43 17609 1 . LYS 44 44 17609 1 . PRO 45 45 17609 1 . TYR 46 46 17609 1 . ARG 47 47 17609 1 . CYS 48 48 17609 1 . ASN 49 49 17609 1 . ILE 50 50 17609 1 . CYS 51 51 17609 1 . GLY 52 52 17609 1 . ALA 53 53 17609 1 . GLN 54 54 17609 1 . PHE 55 55 17609 1 . ASN 56 56 17609 1 . ARG 57 57 17609 1 . PRO 58 58 17609 1 . ALA 59 59 17609 1 . ASN 60 60 17609 1 . LEU 61 61 17609 1 . LYS 62 62 17609 1 . THR 63 63 17609 1 . HIS 64 64 17609 1 . THR 65 65 17609 1 . ARG 66 66 17609 1 . ILE 67 67 17609 1 . HIS 68 68 17609 1 . SER 69 69 17609 1 . GLY 70 70 17609 1 . GLU 71 71 17609 1 . LYS 72 72 17609 1 . PRO 73 73 17609 1 . TYR 74 74 17609 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17609 _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 no _Entity.Thiol_state 'not present' _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 . 17609 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 17609 _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 $Hr4436B . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens BL21(DE3)+Magic . . . . . . . . . . . . . . . . . . . . 17609 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 17609 _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 $Hr4436B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 14-15C' . . . . . . 17609 1 2 2 $ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17609 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 17609 _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 2008-12-05 _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 no _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 Tue May 10 12:16:27 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 InChI=1/Zn/q+2 InChI InChI 1.02b 17609 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17609 ZN [Zn++] SMILES CACTVS 3.341 17609 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17609 ZN [Zn+2] SMILES ACDLabs 10.04 17609 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17609 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17609 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 17609 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17609 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 . 17609 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17609 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Hr4436B '[U-100% 13C; U-100% 15N]' . . 1 $Hr4436B . . 0.8 . . mM . . . . 17609 1 2 'sodium azide' 'natural abundance' . . . . . . 2 . . % . . . . 17609 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17609 1 4 ZnSO4 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 17609 1 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17609 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17609 1 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17609 1 8 D20 'natural abundance' . . . . . . 5 . . % . . . . 17609 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17609 1 stop_ save_ save_PEG _Sample.Sf_category sample _Sample.Sf_framecode PEG _Sample.Entry_ID 17609 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Hr4436B '[U-100% 15N]' . . 1 $Hr4436B . . 0.65 . . mM . . . . 17609 2 2 'sodium azide' 'natural abundance' . . . . . . 2 . . % . . . . 17609 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17609 2 4 ZnSO4 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 17609 2 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17609 2 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17609 2 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17609 2 8 'C12E5 PEG/Hexanol' 'natural abundance' . . . . . . 4.2 . . % . . . . 17609 2 9 D20 'natural abundance' . . . . . . 5 . . % . . . . 17609 2 10 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17609 2 stop_ save_ save_GEL _Sample.Sf_category sample _Sample.Sf_framecode GEL _Sample.Entry_ID 17609 _Sample.ID 3 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Hr4436B '[U-100% 13C; U-100% 15N]' . . 1 $Hr4436B . . 0.8 . . mM . . . . 17609 3 2 'sodium azide' 'natural abundance' . . . . . . 2 . . % . . . . 17609 3 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17609 3 4 ZnSO4 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 17609 3 5 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17609 3 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17609 3 7 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17609 3 8 'Positively Charged Stretch Polyacrylamide Gel' 'natural abundance' . . . . . . 5 . . % . . . . 17609 3 9 D20 'natural abundance' . . . . . . 5 . . % . . . . 17609 3 10 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17609 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 17609 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17609 1 pH 6.5 . pH 17609 1 pressure 1 . atm 17609 1 temperature 298 . K 17609 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17609 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17609 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17609 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17609 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17609 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17609 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17609 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17609 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17609 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17609 _Software.ID 4 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17609 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17609 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17609 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17609 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17609 5 'peak picking' 17609 5 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 17609 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With Cold Probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17609 _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 spectrometer_1 Varian INOVA . 600 'With Cold Probe' . . 17609 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 17609 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 11 '2D NH J-modulation' no . . . . . . . . . . 2 $PEG anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 12 '2D NH J-modulation' no . . . . . . . . . . 3 $GEL anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17609 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17609 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17609 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17609 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17609 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17609 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17609 1 2 '3D CBCA(CO)NH' . . . 17609 1 4 '3D HNCO' . . . 17609 1 5 '3D HNCACB' . . . 17609 1 6 '3D HBHA(CO)NH' . . . 17609 1 7 '3D HCCH-TOCSY' . . . 17609 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 15 15 ASP H H 1 8.404 0.007 . 1 . . . A 15 ASP H . 17609 1 2 . 1 1 15 15 ASP HA H 1 4.469 0.008 . 1 . . . A 15 ASP HA . 17609 1 3 . 1 1 15 15 ASP HB2 H 1 2.589 0.003 . 2 . . . A 15 ASP HB2 . 17609 1 4 . 1 1 15 15 ASP HB3 H 1 2.589 0.003 . 2 . . . A 15 ASP HB3 . 17609 1 5 . 1 1 15 15 ASP C C 13 175.899 0.021 . 1 . . . A 15 ASP C . 17609 1 6 . 1 1 15 15 ASP CA C 13 54.627 0.070 . 1 . . . A 15 ASP CA . 17609 1 7 . 1 1 15 15 ASP CB C 13 41.107 0.051 . 1 . . . A 15 ASP CB . 17609 1 8 . 1 1 15 15 ASP N N 15 122.498 0.037 . 1 . . . A 15 ASP N . 17609 1 9 . 1 1 16 16 LYS H H 1 7.904 0.009 . 1 . . . A 16 LYS H . 17609 1 10 . 1 1 16 16 LYS HA H 1 4.380 0.004 . 1 . . . A 16 LYS HA . 17609 1 11 . 1 1 16 16 LYS HB2 H 1 1.484 0.005 . 2 . . . A 16 LYS HB2 . 17609 1 12 . 1 1 16 16 LYS HB3 H 1 1.268 0.003 . 2 . . . A 16 LYS HB3 . 17609 1 13 . 1 1 16 16 LYS HG2 H 1 1.257 0.005 . 2 . . . A 16 LYS HG2 . 17609 1 14 . 1 1 16 16 LYS HG3 H 1 1.008 0.003 . 2 . . . A 16 LYS HG3 . 17609 1 15 . 1 1 16 16 LYS HD2 H 1 1.419 0.001 . 2 . . . A 16 LYS HD2 . 17609 1 16 . 1 1 16 16 LYS HD3 H 1 1.419 0.001 . 2 . . . A 16 LYS HD3 . 17609 1 17 . 1 1 16 16 LYS HE2 H 1 2.830 0.000 . 2 . . . A 16 LYS HE2 . 17609 1 18 . 1 1 16 16 LYS HE3 H 1 2.830 0.000 . 2 . . . A 16 LYS HE3 . 17609 1 19 . 1 1 16 16 LYS C C 13 174.366 0.000 . 1 . . . A 16 LYS C . 17609 1 20 . 1 1 16 16 LYS CA C 13 53.950 0.073 . 1 . . . A 16 LYS CA . 17609 1 21 . 1 1 16 16 LYS CB C 13 32.823 0.058 . 1 . . . A 16 LYS CB . 17609 1 22 . 1 1 16 16 LYS CG C 13 24.992 0.038 . 1 . . . A 16 LYS CG . 17609 1 23 . 1 1 16 16 LYS CD C 13 29.532 0.053 . 1 . . . A 16 LYS CD . 17609 1 24 . 1 1 16 16 LYS N N 15 119.964 0.034 . 1 . . . A 16 LYS N . 17609 1 25 . 1 1 17 17 PRO HA H 1 4.162 0.002 . 1 . . . A 17 PRO HA . 17609 1 26 . 1 1 17 17 PRO HB2 H 1 1.959 0.007 . 2 . . . A 17 PRO HB2 . 17609 1 27 . 1 1 17 17 PRO HB3 H 1 1.161 0.006 . 2 . . . A 17 PRO HB3 . 17609 1 28 . 1 1 17 17 PRO HG2 H 1 1.745 0.001 . 2 . . . A 17 PRO HG2 . 17609 1 29 . 1 1 17 17 PRO HG3 H 1 1.442 0.004 . 2 . . . A 17 PRO HG3 . 17609 1 30 . 1 1 17 17 PRO HD2 H 1 3.554 0.014 . 2 . . . A 17 PRO HD2 . 17609 1 31 . 1 1 17 17 PRO HD3 H 1 3.554 0.014 . 2 . . . A 17 PRO HD3 . 17609 1 32 . 1 1 17 17 PRO C C 13 177.033 0.000 . 1 . . . A 17 PRO C . 17609 1 33 . 1 1 17 17 PRO CA C 13 63.853 0.041 . 1 . . . A 17 PRO CA . 17609 1 34 . 1 1 17 17 PRO CB C 13 32.421 0.045 . 1 . . . A 17 PRO CB . 17609 1 35 . 1 1 17 17 PRO CG C 13 26.513 0.120 . 1 . . . A 17 PRO CG . 17609 1 36 . 1 1 17 17 PRO CD C 13 50.304 0.057 . 1 . . . A 17 PRO CD . 17609 1 37 . 1 1 18 18 TYR H H 1 7.785 0.004 . 1 . . . A 18 TYR H . 17609 1 38 . 1 1 18 18 TYR HA H 1 4.632 0.003 . 1 . . . A 18 TYR HA . 17609 1 39 . 1 1 18 18 TYR HB2 H 1 2.901 0.003 . 2 . . . A 18 TYR HB2 . 17609 1 40 . 1 1 18 18 TYR HB3 H 1 2.901 0.003 . 2 . . . A 18 TYR HB3 . 17609 1 41 . 1 1 18 18 TYR HD1 H 1 6.968 0.010 . 3 . . . A 18 TYR HD1 . 17609 1 42 . 1 1 18 18 TYR HE1 H 1 6.903 0.005 . 3 . . . A 18 TYR HE1 . 17609 1 43 . 1 1 18 18 TYR C C 13 174.841 0.011 . 1 . . . A 18 TYR C . 17609 1 44 . 1 1 18 18 TYR CA C 13 57.788 0.038 . 1 . . . A 18 TYR CA . 17609 1 45 . 1 1 18 18 TYR CB C 13 37.863 0.037 . 1 . . . A 18 TYR CB . 17609 1 46 . 1 1 18 18 TYR CD1 C 13 131.206 0.000 . 3 . . . A 18 TYR CD1 . 17609 1 47 . 1 1 18 18 TYR CE1 C 13 116.514 0.000 . 3 . . . A 18 TYR CE1 . 17609 1 48 . 1 1 18 18 TYR N N 15 118.093 0.023 . 1 . . . A 18 TYR N . 17609 1 49 . 1 1 19 19 LYS H H 1 8.523 0.004 . 1 . . . A 19 LYS H . 17609 1 50 . 1 1 19 19 LYS HA H 1 4.726 0.010 . 1 . . . A 19 LYS HA . 17609 1 51 . 1 1 19 19 LYS HB2 H 1 1.841 0.011 . 2 . . . A 19 LYS HB2 . 17609 1 52 . 1 1 19 19 LYS HB3 H 1 1.630 0.010 . 2 . . . A 19 LYS HB3 . 17609 1 53 . 1 1 19 19 LYS HG2 H 1 1.331 0.000 . 2 . . . A 19 LYS HG2 . 17609 1 54 . 1 1 19 19 LYS HG3 H 1 1.331 0.000 . 2 . . . A 19 LYS HG3 . 17609 1 55 . 1 1 19 19 LYS HD2 H 1 1.599 0.000 . 2 . . . A 19 LYS HD2 . 17609 1 56 . 1 1 19 19 LYS HD3 H 1 1.599 0.000 . 2 . . . A 19 LYS HD3 . 17609 1 57 . 1 1 19 19 LYS HE2 H 1 2.942 0.010 . 2 . . . A 19 LYS HE2 . 17609 1 58 . 1 1 19 19 LYS HE3 H 1 2.942 0.010 . 2 . . . A 19 LYS HE3 . 17609 1 59 . 1 1 19 19 LYS C C 13 175.862 0.027 . 1 . . . A 19 LYS C . 17609 1 60 . 1 1 19 19 LYS CA C 13 55.468 0.081 . 1 . . . A 19 LYS CA . 17609 1 61 . 1 1 19 19 LYS CB C 13 34.655 0.047 . 1 . . . A 19 LYS CB . 17609 1 62 . 1 1 19 19 LYS CG C 13 24.340 0.000 . 1 . . . A 19 LYS CG . 17609 1 63 . 1 1 19 19 LYS CD C 13 29.043 0.038 . 1 . . . A 19 LYS CD . 17609 1 64 . 1 1 19 19 LYS N N 15 125.715 0.019 . 1 . . . A 19 LYS N . 17609 1 65 . 1 1 20 20 CYS H H 1 8.789 0.003 . 1 . . . A 20 CYS H . 17609 1 66 . 1 1 20 20 CYS HA H 1 4.257 0.003 . 1 . . . A 20 CYS HA . 17609 1 67 . 1 1 20 20 CYS HB2 H 1 3.380 0.002 . 2 . . . A 20 CYS HB2 . 17609 1 68 . 1 1 20 20 CYS HB3 H 1 2.721 0.006 . 2 . . . A 20 CYS HB3 . 17609 1 69 . 1 1 20 20 CYS C C 13 174.983 0.033 . 1 . . . A 20 CYS C . 17609 1 70 . 1 1 20 20 CYS CA C 13 61.218 0.113 . 1 . . . A 20 CYS CA . 17609 1 71 . 1 1 20 20 CYS CB C 13 29.806 0.029 . 1 . . . A 20 CYS CB . 17609 1 72 . 1 1 20 20 CYS N N 15 127.164 0.020 . 1 . . . A 20 CYS N . 17609 1 73 . 1 1 21 21 ASP H H 1 8.735 0.006 . 1 . . . A 21 ASP H . 17609 1 74 . 1 1 21 21 ASP HA H 1 4.625 0.005 . 1 . . . A 21 ASP HA . 17609 1 75 . 1 1 21 21 ASP HB2 H 1 2.802 0.020 . 2 . . . A 21 ASP HB2 . 17609 1 76 . 1 1 21 21 ASP HB3 H 1 2.802 0.020 . 2 . . . A 21 ASP HB3 . 17609 1 77 . 1 1 21 21 ASP C C 13 177.040 0.003 . 1 . . . A 21 ASP C . 17609 1 78 . 1 1 21 21 ASP CA C 13 54.889 0.086 . 1 . . . A 21 ASP CA . 17609 1 79 . 1 1 21 21 ASP CB C 13 40.174 0.031 . 1 . . . A 21 ASP CB . 17609 1 80 . 1 1 21 21 ASP N N 15 126.092 0.029 . 1 . . . A 21 ASP N . 17609 1 81 . 1 1 22 22 ARG H H 1 9.486 0.007 . 1 . . . A 22 ARG H . 17609 1 82 . 1 1 22 22 ARG HA H 1 4.374 0.004 . 1 . . . A 22 ARG HA . 17609 1 83 . 1 1 22 22 ARG HB2 H 1 1.241 0.004 . 2 . . . A 22 ARG HB2 . 17609 1 84 . 1 1 22 22 ARG HB3 H 1 0.737 0.007 . 2 . . . A 22 ARG HB3 . 17609 1 85 . 1 1 22 22 ARG HG2 H 1 1.343 0.008 . 2 . . . A 22 ARG HG2 . 17609 1 86 . 1 1 22 22 ARG HG3 H 1 1.343 0.008 . 2 . . . A 22 ARG HG3 . 17609 1 87 . 1 1 22 22 ARG HD2 H 1 2.923 0.006 . 2 . . . A 22 ARG HD2 . 17609 1 88 . 1 1 22 22 ARG HD3 H 1 2.923 0.006 . 2 . . . A 22 ARG HD3 . 17609 1 89 . 1 1 22 22 ARG C C 13 176.039 0.014 . 1 . . . A 22 ARG C . 17609 1 90 . 1 1 22 22 ARG CA C 13 55.705 0.065 . 1 . . . A 22 ARG CA . 17609 1 91 . 1 1 22 22 ARG CB C 13 30.669 0.063 . 1 . . . A 22 ARG CB . 17609 1 92 . 1 1 22 22 ARG CG C 13 26.631 0.095 . 1 . . . A 22 ARG CG . 17609 1 93 . 1 1 22 22 ARG CD C 13 42.440 0.130 . 1 . . . A 22 ARG CD . 17609 1 94 . 1 1 22 22 ARG N N 15 122.278 0.025 . 1 . . . A 22 ARG N . 17609 1 95 . 1 1 23 23 CYS H H 1 7.898 0.002 . 1 . . . A 23 CYS H . 17609 1 96 . 1 1 23 23 CYS HA H 1 4.962 0.005 . 1 . . . A 23 CYS HA . 17609 1 97 . 1 1 23 23 CYS HB2 H 1 3.380 0.002 . 2 . . . A 23 CYS HB2 . 17609 1 98 . 1 1 23 23 CYS HB3 H 1 3.070 0.004 . 2 . . . A 23 CYS HB3 . 17609 1 99 . 1 1 23 23 CYS C C 13 174.258 0.029 . 1 . . . A 23 CYS C . 17609 1 100 . 1 1 23 23 CYS CA C 13 58.485 0.009 . 1 . . . A 23 CYS CA . 17609 1 101 . 1 1 23 23 CYS CB C 13 30.677 0.057 . 1 . . . A 23 CYS CB . 17609 1 102 . 1 1 23 23 CYS N N 15 118.667 0.029 . 1 . . . A 23 CYS N . 17609 1 103 . 1 1 24 24 GLN H H 1 8.103 0.005 . 1 . . . A 24 GLN H . 17609 1 104 . 1 1 24 24 GLN HA H 1 4.274 0.002 . 1 . . . A 24 GLN HA . 17609 1 105 . 1 1 24 24 GLN HB2 H 1 2.222 0.000 . 2 . . . A 24 GLN HB2 . 17609 1 106 . 1 1 24 24 GLN HB3 H 1 2.222 0.000 . 2 . . . A 24 GLN HB3 . 17609 1 107 . 1 1 24 24 GLN HG2 H 1 2.312 0.022 . 2 . . . A 24 GLN HG2 . 17609 1 108 . 1 1 24 24 GLN HG3 H 1 2.312 0.022 . 2 . . . A 24 GLN HG3 . 17609 1 109 . 1 1 24 24 GLN HE22 H 1 6.803 0.002 . 2 . . . A 24 GLN HE22 . 17609 1 110 . 1 1 24 24 GLN C C 13 175.721 0.024 . 1 . . . A 24 GLN C . 17609 1 111 . 1 1 24 24 GLN CA C 13 56.986 0.034 . 1 . . . A 24 GLN CA . 17609 1 112 . 1 1 24 24 GLN CB C 13 27.885 0.023 . 1 . . . A 24 GLN CB . 17609 1 113 . 1 1 24 24 GLN CG C 13 34.147 0.026 . 1 . . . A 24 GLN CG . 17609 1 114 . 1 1 24 24 GLN N N 15 114.525 0.025 . 1 . . . A 24 GLN N . 17609 1 115 . 1 1 24 24 GLN NE2 N 15 113.081 0.029 . 1 . . . A 24 GLN NE2 . 17609 1 116 . 1 1 25 25 ALA H H 1 8.731 0.003 . 1 . . . A 25 ALA H . 17609 1 117 . 1 1 25 25 ALA HA H 1 3.992 0.002 . 1 . . . A 25 ALA HA . 17609 1 118 . 1 1 25 25 ALA HB1 H 1 0.916 0.003 . 1 . . . A 25 ALA HB1 . 17609 1 119 . 1 1 25 25 ALA HB2 H 1 0.916 0.003 . 1 . . . A 25 ALA HB2 . 17609 1 120 . 1 1 25 25 ALA HB3 H 1 0.916 0.003 . 1 . . . A 25 ALA HB3 . 17609 1 121 . 1 1 25 25 ALA C C 13 175.870 0.027 . 1 . . . A 25 ALA C . 17609 1 122 . 1 1 25 25 ALA CA C 13 53.918 0.020 . 1 . . . A 25 ALA CA . 17609 1 123 . 1 1 25 25 ALA CB C 13 19.800 0.050 . 1 . . . A 25 ALA CB . 17609 1 124 . 1 1 25 25 ALA N N 15 126.739 0.060 . 1 . . . A 25 ALA N . 17609 1 125 . 1 1 26 26 SER H H 1 7.485 0.005 . 1 . . . A 26 SER H . 17609 1 126 . 1 1 26 26 SER HA H 1 5.090 0.005 . 1 . . . A 26 SER HA . 17609 1 127 . 1 1 26 26 SER HB2 H 1 3.640 0.001 . 2 . . . A 26 SER HB2 . 17609 1 128 . 1 1 26 26 SER HB3 H 1 3.534 0.000 . 2 . . . A 26 SER HB3 . 17609 1 129 . 1 1 26 26 SER C C 13 172.950 0.037 . 1 . . . A 26 SER C . 17609 1 130 . 1 1 26 26 SER CA C 13 56.986 0.142 . 1 . . . A 26 SER CA . 17609 1 131 . 1 1 26 26 SER CB C 13 66.164 0.027 . 1 . . . A 26 SER CB . 17609 1 132 . 1 1 26 26 SER N N 15 113.177 0.038 . 1 . . . A 26 SER N . 17609 1 133 . 1 1 27 27 PHE H H 1 8.714 0.003 . 1 . . . A 27 PHE H . 17609 1 134 . 1 1 27 27 PHE HA H 1 4.752 0.004 . 1 . . . A 27 PHE HA . 17609 1 135 . 1 1 27 27 PHE HB2 H 1 3.644 0.004 . 2 . . . A 27 PHE HB2 . 17609 1 136 . 1 1 27 27 PHE HB3 H 1 2.593 0.011 . 2 . . . A 27 PHE HB3 . 17609 1 137 . 1 1 27 27 PHE HD1 H 1 7.304 0.010 . 3 . . . A 27 PHE HD1 . 17609 1 138 . 1 1 27 27 PHE HE1 H 1 6.867 0.009 . 3 . . . A 27 PHE HE1 . 17609 1 139 . 1 1 27 27 PHE C C 13 174.873 0.022 . 1 . . . A 27 PHE C . 17609 1 140 . 1 1 27 27 PHE CA C 13 57.928 0.105 . 1 . . . A 27 PHE CA . 17609 1 141 . 1 1 27 27 PHE CB C 13 43.733 0.067 . 1 . . . A 27 PHE CB . 17609 1 142 . 1 1 27 27 PHE CD1 C 13 130.315 0.054 . 3 . . . A 27 PHE CD1 . 17609 1 143 . 1 1 27 27 PHE CE1 C 13 128.926 0.016 . 3 . . . A 27 PHE CE1 . 17609 1 144 . 1 1 27 27 PHE N N 15 116.809 0.018 . 1 . . . A 27 PHE N . 17609 1 145 . 1 1 28 28 ARG H H 1 9.206 0.004 . 1 . . . A 28 ARG H . 17609 1 146 . 1 1 28 28 ARG HA H 1 4.294 0.010 . 1 . . . A 28 ARG HA . 17609 1 147 . 1 1 28 28 ARG HB2 H 1 1.558 0.000 . 2 . . . A 28 ARG HB2 . 17609 1 148 . 1 1 28 28 ARG HB3 H 1 1.558 0.000 . 2 . . . A 28 ARG HB3 . 17609 1 149 . 1 1 28 28 ARG HD2 H 1 3.069 0.006 . 2 . . . A 28 ARG HD2 . 17609 1 150 . 1 1 28 28 ARG HD3 H 1 3.069 0.006 . 2 . . . A 28 ARG HD3 . 17609 1 151 . 1 1 28 28 ARG C C 13 175.605 0.022 . 1 . . . A 28 ARG C . 17609 1 152 . 1 1 28 28 ARG CA C 13 58.219 0.085 . 1 . . . A 28 ARG CA . 17609 1 153 . 1 1 28 28 ARG CB C 13 31.386 0.047 . 1 . . . A 28 ARG CB . 17609 1 154 . 1 1 28 28 ARG CG C 13 27.586 0.000 . 1 . . . A 28 ARG CG . 17609 1 155 . 1 1 28 28 ARG CD C 13 43.505 0.063 . 1 . . . A 28 ARG CD . 17609 1 156 . 1 1 28 28 ARG N N 15 122.671 0.022 . 1 . . . A 28 ARG N . 17609 1 157 . 1 1 29 29 TYR H H 1 7.463 0.004 . 1 . . . A 29 TYR H . 17609 1 158 . 1 1 29 29 TYR HA H 1 5.164 0.008 . 1 . . . A 29 TYR HA . 17609 1 159 . 1 1 29 29 TYR HB2 H 1 3.296 0.004 . 2 . . . A 29 TYR HB2 . 17609 1 160 . 1 1 29 29 TYR HB3 H 1 2.783 0.010 . 2 . . . A 29 TYR HB3 . 17609 1 161 . 1 1 29 29 TYR HD1 H 1 7.342 0.004 . 3 . . . A 29 TYR HD1 . 17609 1 162 . 1 1 29 29 TYR HE1 H 1 6.888 0.002 . 3 . . . A 29 TYR HE1 . 17609 1 163 . 1 1 29 29 TYR C C 13 177.222 0.008 . 1 . . . A 29 TYR C . 17609 1 164 . 1 1 29 29 TYR CA C 13 55.672 0.034 . 1 . . . A 29 TYR CA . 17609 1 165 . 1 1 29 29 TYR CB C 13 40.497 0.072 . 1 . . . A 29 TYR CB . 17609 1 166 . 1 1 29 29 TYR CD1 C 13 131.811 0.023 . 3 . . . A 29 TYR CD1 . 17609 1 167 . 1 1 29 29 TYR CE1 C 13 116.080 0.000 . 3 . . . A 29 TYR CE1 . 17609 1 168 . 1 1 29 29 TYR N N 15 113.672 0.037 . 1 . . . A 29 TYR N . 17609 1 169 . 1 1 30 30 LYS H H 1 8.788 0.003 . 1 . . . A 30 LYS H . 17609 1 170 . 1 1 30 30 LYS HA H 1 2.936 0.002 . 1 . . . A 30 LYS HA . 17609 1 171 . 1 1 30 30 LYS HB2 H 1 1.264 0.000 . 2 . . . A 30 LYS HB2 . 17609 1 172 . 1 1 30 30 LYS HB3 H 1 1.264 0.000 . 2 . . . A 30 LYS HB3 . 17609 1 173 . 1 1 30 30 LYS HG2 H 1 1.341 0.005 . 2 . . . A 30 LYS HG2 . 17609 1 174 . 1 1 30 30 LYS HG3 H 1 1.341 0.005 . 2 . . . A 30 LYS HG3 . 17609 1 175 . 1 1 30 30 LYS C C 13 179.721 0.004 . 1 . . . A 30 LYS C . 17609 1 176 . 1 1 30 30 LYS CA C 13 59.893 0.058 . 1 . . . A 30 LYS CA . 17609 1 177 . 1 1 30 30 LYS CB C 13 32.142 0.059 . 1 . . . A 30 LYS CB . 17609 1 178 . 1 1 30 30 LYS CG C 13 24.589 0.049 . 1 . . . A 30 LYS CG . 17609 1 179 . 1 1 30 30 LYS CE C 13 41.647 0.000 . 1 . . . A 30 LYS CE . 17609 1 180 . 1 1 30 30 LYS N N 15 127.186 0.020 . 1 . . . A 30 LYS N . 17609 1 181 . 1 1 31 31 GLY H H 1 8.818 0.004 . 1 . . . A 31 GLY H . 17609 1 182 . 1 1 31 31 GLY HA2 H 1 3.784 0.018 . 2 . . . A 31 GLY HA2 . 17609 1 183 . 1 1 31 31 GLY HA3 H 1 3.784 0.018 . 2 . . . A 31 GLY HA3 . 17609 1 184 . 1 1 31 31 GLY C C 13 176.580 0.000 . 1 . . . A 31 GLY C . 17609 1 185 . 1 1 31 31 GLY CA C 13 46.681 0.021 . 1 . . . A 31 GLY CA . 17609 1 186 . 1 1 31 31 GLY N N 15 107.154 0.173 . 1 . . . A 31 GLY N . 17609 1 187 . 1 1 32 32 ASN H H 1 7.087 0.003 . 1 . . . A 32 ASN H . 17609 1 188 . 1 1 32 32 ASN HA H 1 4.545 0.002 . 1 . . . A 32 ASN HA . 17609 1 189 . 1 1 32 32 ASN HB2 H 1 2.897 0.000 . 2 . . . A 32 ASN HB2 . 17609 1 190 . 1 1 32 32 ASN HB3 H 1 2.897 0.000 . 2 . . . A 32 ASN HB3 . 17609 1 191 . 1 1 32 32 ASN C C 13 177.744 0.031 . 1 . . . A 32 ASN C . 17609 1 192 . 1 1 32 32 ASN CA C 13 54.837 0.016 . 1 . . . A 32 ASN CA . 17609 1 193 . 1 1 32 32 ASN CB C 13 38.138 0.033 . 1 . . . A 32 ASN CB . 17609 1 194 . 1 1 32 32 ASN N N 15 118.560 0.023 . 1 . . . A 32 ASN N . 17609 1 195 . 1 1 33 33 LEU H H 1 6.861 0.002 . 1 . . . A 33 LEU H . 17609 1 196 . 1 1 33 33 LEU HA H 1 3.352 0.003 . 1 . . . A 33 LEU HA . 17609 1 197 . 1 1 33 33 LEU HB2 H 1 1.922 0.004 . 2 . . . A 33 LEU HB2 . 17609 1 198 . 1 1 33 33 LEU HB3 H 1 1.291 0.004 . 2 . . . A 33 LEU HB3 . 17609 1 199 . 1 1 33 33 LEU HG H 1 0.998 0.013 . 1 . . . A 33 LEU HG . 17609 1 200 . 1 1 33 33 LEU HD11 H 1 1.027 0.012 . 2 . . . A 33 LEU HD11 . 17609 1 201 . 1 1 33 33 LEU HD12 H 1 1.027 0.012 . 2 . . . A 33 LEU HD12 . 17609 1 202 . 1 1 33 33 LEU HD13 H 1 1.027 0.012 . 2 . . . A 33 LEU HD13 . 17609 1 203 . 1 1 33 33 LEU C C 13 177.655 0.000 . 1 . . . A 33 LEU C . 17609 1 204 . 1 1 33 33 LEU CA C 13 57.670 0.069 . 1 . . . A 33 LEU CA . 17609 1 205 . 1 1 33 33 LEU CB C 13 39.938 0.054 . 1 . . . A 33 LEU CB . 17609 1 206 . 1 1 33 33 LEU CG C 13 26.543 0.044 . 1 . . . A 33 LEU CG . 17609 1 207 . 1 1 33 33 LEU CD1 C 13 22.344 0.079 . 2 . . . A 33 LEU CD1 . 17609 1 208 . 1 1 33 33 LEU N N 15 122.010 0.013 . 1 . . . A 33 LEU N . 17609 1 209 . 1 1 34 34 ALA H H 1 7.764 0.004 . 1 . . . A 34 ALA H . 17609 1 210 . 1 1 34 34 ALA HA H 1 3.949 0.004 . 1 . . . A 34 ALA HA . 17609 1 211 . 1 1 34 34 ALA HB1 H 1 1.403 0.003 . 1 . . . A 34 ALA HB1 . 17609 1 212 . 1 1 34 34 ALA HB2 H 1 1.403 0.003 . 1 . . . A 34 ALA HB2 . 17609 1 213 . 1 1 34 34 ALA HB3 H 1 1.403 0.003 . 1 . . . A 34 ALA HB3 . 17609 1 214 . 1 1 34 34 ALA C C 13 180.957 0.000 . 1 . . . A 34 ALA C . 17609 1 215 . 1 1 34 34 ALA CA C 13 55.633 0.123 . 1 . . . A 34 ALA CA . 17609 1 216 . 1 1 34 34 ALA CB C 13 17.747 0.026 . 1 . . . A 34 ALA CB . 17609 1 217 . 1 1 34 34 ALA N N 15 120.913 0.016 . 1 . . . A 34 ALA N . 17609 1 218 . 1 1 35 35 SER H H 1 7.666 0.006 . 1 . . . A 35 SER H . 17609 1 219 . 1 1 35 35 SER HA H 1 4.194 0.002 . 1 . . . A 35 SER HA . 17609 1 220 . 1 1 35 35 SER HB2 H 1 3.841 0.003 . 2 . . . A 35 SER HB2 . 17609 1 221 . 1 1 35 35 SER HB3 H 1 3.841 0.003 . 2 . . . A 35 SER HB3 . 17609 1 222 . 1 1 35 35 SER C C 13 176.972 0.001 . 1 . . . A 35 SER C . 17609 1 223 . 1 1 35 35 SER CA C 13 60.931 0.070 . 1 . . . A 35 SER CA . 17609 1 224 . 1 1 35 35 SER CB C 13 62.681 0.072 . 1 . . . A 35 SER CB . 17609 1 225 . 1 1 35 35 SER N N 15 111.625 0.022 . 1 . . . A 35 SER N . 17609 1 226 . 1 1 36 36 HIS H H 1 7.511 0.003 . 1 . . . A 36 HIS H . 17609 1 227 . 1 1 36 36 HIS HA H 1 4.212 0.003 . 1 . . . A 36 HIS HA . 17609 1 228 . 1 1 36 36 HIS HB2 H 1 3.215 0.003 . 2 . . . A 36 HIS HB2 . 17609 1 229 . 1 1 36 36 HIS HB3 H 1 2.958 0.002 . 2 . . . A 36 HIS HB3 . 17609 1 230 . 1 1 36 36 HIS HD2 H 1 7.031 0.013 . 1 . . . A 36 HIS HD2 . 17609 1 231 . 1 1 36 36 HIS HE1 H 1 7.877 0.003 . 1 . . . A 36 HIS HE1 . 17609 1 232 . 1 1 36 36 HIS C C 13 176.403 0.016 . 1 . . . A 36 HIS C . 17609 1 233 . 1 1 36 36 HIS CA C 13 59.077 0.066 . 1 . . . A 36 HIS CA . 17609 1 234 . 1 1 36 36 HIS CB C 13 28.967 0.042 . 1 . . . A 36 HIS CB . 17609 1 235 . 1 1 36 36 HIS CD2 C 13 125.026 0.016 . 1 . . . A 36 HIS CD2 . 17609 1 236 . 1 1 36 36 HIS N N 15 121.887 0.032 . 1 . . . A 36 HIS N . 17609 1 237 . 1 1 36 36 HIS ND1 N 15 172.789 0.000 . 1 . . . A 36 HIS ND1 . 17609 1 238 . 1 1 36 36 HIS NE2 N 15 216.832 0.015 . 1 . . . A 36 HIS NE2 . 17609 1 239 . 1 1 37 37 LYS H H 1 7.984 0.003 . 1 . . . A 37 LYS H . 17609 1 240 . 1 1 37 37 LYS HA H 1 3.668 0.008 . 1 . . . A 37 LYS HA . 17609 1 241 . 1 1 37 37 LYS HB2 H 1 1.964 0.000 . 2 . . . A 37 LYS HB2 . 17609 1 242 . 1 1 37 37 LYS HB3 H 1 1.964 0.000 . 2 . . . A 37 LYS HB3 . 17609 1 243 . 1 1 37 37 LYS HD2 H 1 1.810 0.004 . 2 . . . A 37 LYS HD2 . 17609 1 244 . 1 1 37 37 LYS HD3 H 1 1.810 0.004 . 2 . . . A 37 LYS HD3 . 17609 1 245 . 1 1 37 37 LYS C C 13 178.603 0.005 . 1 . . . A 37 LYS C . 17609 1 246 . 1 1 37 37 LYS CA C 13 60.433 0.083 . 1 . . . A 37 LYS CA . 17609 1 247 . 1 1 37 37 LYS CB C 13 32.182 0.049 . 1 . . . A 37 LYS CB . 17609 1 248 . 1 1 37 37 LYS CG C 13 26.111 0.000 . 1 . . . A 37 LYS CG . 17609 1 249 . 1 1 37 37 LYS CD C 13 29.668 0.052 . 1 . . . A 37 LYS CD . 17609 1 250 . 1 1 37 37 LYS CE C 13 42.082 0.000 . 1 . . . A 37 LYS CE . 17609 1 251 . 1 1 37 37 LYS N N 15 115.031 0.014 . 1 . . . A 37 LYS N . 17609 1 252 . 1 1 38 38 THR H H 1 7.196 0.004 . 1 . . . A 38 THR H . 17609 1 253 . 1 1 38 38 THR HA H 1 4.064 0.008 . 1 . . . A 38 THR HA . 17609 1 254 . 1 1 38 38 THR HB H 1 4.205 0.000 . 1 . . . A 38 THR HB . 17609 1 255 . 1 1 38 38 THR HG21 H 1 1.290 0.003 . 1 . . . A 38 THR HG21 . 17609 1 256 . 1 1 38 38 THR HG22 H 1 1.290 0.003 . 1 . . . A 38 THR HG22 . 17609 1 257 . 1 1 38 38 THR HG23 H 1 1.290 0.003 . 1 . . . A 38 THR HG23 . 17609 1 258 . 1 1 38 38 THR C C 13 177.072 0.015 . 1 . . . A 38 THR C . 17609 1 259 . 1 1 38 38 THR CA C 13 64.604 0.054 . 1 . . . A 38 THR CA . 17609 1 260 . 1 1 38 38 THR CB C 13 68.949 0.167 . 1 . . . A 38 THR CB . 17609 1 261 . 1 1 38 38 THR CG2 C 13 21.810 0.000 . 1 . . . A 38 THR CG2 . 17609 1 262 . 1 1 38 38 THR N N 15 110.706 0.016 . 1 . . . A 38 THR N . 17609 1 263 . 1 1 39 39 VAL H H 1 7.874 0.002 . 1 . . . A 39 VAL H . 17609 1 264 . 1 1 39 39 VAL HA H 1 3.921 0.002 . 1 . . . A 39 VAL HA . 17609 1 265 . 1 1 39 39 VAL HB H 1 1.884 0.002 . 1 . . . A 39 VAL HB . 17609 1 266 . 1 1 39 39 VAL HG11 H 1 0.537 0.014 . 2 . . . A 39 VAL HG11 . 17609 1 267 . 1 1 39 39 VAL HG12 H 1 0.537 0.014 . 2 . . . A 39 VAL HG12 . 17609 1 268 . 1 1 39 39 VAL HG13 H 1 0.537 0.014 . 2 . . . A 39 VAL HG13 . 17609 1 269 . 1 1 39 39 VAL C C 13 177.400 0.034 . 1 . . . A 39 VAL C . 17609 1 270 . 1 1 39 39 VAL CA C 13 64.003 0.042 . 1 . . . A 39 VAL CA . 17609 1 271 . 1 1 39 39 VAL CB C 13 31.230 0.108 . 1 . . . A 39 VAL CB . 17609 1 272 . 1 1 39 39 VAL CG1 C 13 19.654 0.125 . 2 . . . A 39 VAL CG1 . 17609 1 273 . 1 1 39 39 VAL N N 15 119.621 0.033 . 1 . . . A 39 VAL N . 17609 1 274 . 1 1 40 40 HIS H H 1 7.232 0.002 . 1 . . . A 40 HIS H . 17609 1 275 . 1 1 40 40 HIS HA H 1 4.812 0.012 . 1 . . . A 40 HIS HA . 17609 1 276 . 1 1 40 40 HIS HB2 H 1 3.196 0.002 . 2 . . . A 40 HIS HB2 . 17609 1 277 . 1 1 40 40 HIS HB3 H 1 3.196 0.002 . 2 . . . A 40 HIS HB3 . 17609 1 278 . 1 1 40 40 HIS HD2 H 1 6.588 0.005 . 1 . . . A 40 HIS HD2 . 17609 1 279 . 1 1 40 40 HIS HE1 H 1 7.960 0.001 . 1 . . . A 40 HIS HE1 . 17609 1 280 . 1 1 40 40 HIS C C 13 175.871 0.021 . 1 . . . A 40 HIS C . 17609 1 281 . 1 1 40 40 HIS CA C 13 55.084 0.020 . 1 . . . A 40 HIS CA . 17609 1 282 . 1 1 40 40 HIS CB C 13 28.626 0.021 . 1 . . . A 40 HIS CB . 17609 1 283 . 1 1 40 40 HIS CD2 C 13 125.510 0.005 . 1 . . . A 40 HIS CD2 . 17609 1 284 . 1 1 40 40 HIS N N 15 116.554 0.033 . 1 . . . A 40 HIS N . 17609 1 285 . 1 1 40 40 HIS ND1 N 15 171.366 0.000 . 1 . . . A 40 HIS ND1 . 17609 1 286 . 1 1 40 40 HIS NE2 N 15 213.636 0.006 . 1 . . . A 40 HIS NE2 . 17609 1 287 . 1 1 41 41 THR H H 1 7.676 0.002 . 1 . . . A 41 THR H . 17609 1 288 . 1 1 41 41 THR HA H 1 4.241 0.000 . 1 . . . A 41 THR HA . 17609 1 289 . 1 1 41 41 THR HB H 1 4.250 0.001 . 1 . . . A 41 THR HB . 17609 1 290 . 1 1 41 41 THR HG21 H 1 1.219 0.006 . 1 . . . A 41 THR HG21 . 17609 1 291 . 1 1 41 41 THR HG22 H 1 1.219 0.006 . 1 . . . A 41 THR HG22 . 17609 1 292 . 1 1 41 41 THR HG23 H 1 1.219 0.006 . 1 . . . A 41 THR HG23 . 17609 1 293 . 1 1 41 41 THR C C 13 175.620 0.002 . 1 . . . A 41 THR C . 17609 1 294 . 1 1 41 41 THR CA C 13 63.147 0.041 . 1 . . . A 41 THR CA . 17609 1 295 . 1 1 41 41 THR CB C 13 69.723 0.132 . 1 . . . A 41 THR CB . 17609 1 296 . 1 1 41 41 THR CG2 C 13 21.821 0.000 . 1 . . . A 41 THR CG2 . 17609 1 297 . 1 1 41 41 THR N N 15 113.515 0.017 . 1 . . . A 41 THR N . 17609 1 298 . 1 1 42 42 GLY H H 1 8.447 0.006 . 1 . . . A 42 GLY H . 17609 1 299 . 1 1 42 42 GLY HA2 H 1 3.960 0.000 . 2 . . . A 42 GLY HA2 . 17609 1 300 . 1 1 42 42 GLY HA3 H 1 3.960 0.000 . 2 . . . A 42 GLY HA3 . 17609 1 301 . 1 1 42 42 GLY C C 13 174.464 0.000 . 1 . . . A 42 GLY C . 17609 1 302 . 1 1 42 42 GLY CA C 13 45.316 0.024 . 1 . . . A 42 GLY CA . 17609 1 303 . 1 1 42 42 GLY N N 15 111.378 0.077 . 1 . . . A 42 GLY N . 17609 1 304 . 1 1 43 43 GLU H H 1 7.928 0.005 . 1 . . . A 43 GLU H . 17609 1 305 . 1 1 43 43 GLU HA H 1 4.333 0.001 . 1 . . . A 43 GLU HA . 17609 1 306 . 1 1 43 43 GLU HB2 H 1 1.950 0.000 . 2 . . . A 43 GLU HB2 . 17609 1 307 . 1 1 43 43 GLU HB3 H 1 1.950 0.000 . 2 . . . A 43 GLU HB3 . 17609 1 308 . 1 1 43 43 GLU C C 13 175.408 0.000 . 1 . . . A 43 GLU C . 17609 1 309 . 1 1 43 43 GLU CA C 13 55.866 0.028 . 1 . . . A 43 GLU CA . 17609 1 310 . 1 1 43 43 GLU CB C 13 30.722 0.014 . 1 . . . A 43 GLU CB . 17609 1 311 . 1 1 43 43 GLU CG C 13 36.216 0.000 . 1 . . . A 43 GLU CG . 17609 1 312 . 1 1 43 43 GLU N N 15 120.253 0.016 . 1 . . . A 43 GLU N . 17609 1 313 . 1 1 44 44 LYS H H 1 8.095 0.001 . 1 . . . A 44 LYS H . 17609 1 314 . 1 1 44 44 LYS CA C 13 54.717 0.000 . 1 . . . A 44 LYS CA . 17609 1 315 . 1 1 44 44 LYS CB C 13 32.695 0.000 . 1 . . . A 44 LYS CB . 17609 1 316 . 1 1 44 44 LYS N N 15 121.788 0.021 . 1 . . . A 44 LYS N . 17609 1 317 . 1 1 45 45 PRO HA H 1 4.253 0.002 . 1 . . . A 45 PRO HA . 17609 1 318 . 1 1 45 45 PRO HB2 H 1 2.029 0.001 . 2 . . . A 45 PRO HB2 . 17609 1 319 . 1 1 45 45 PRO HB3 H 1 1.258 0.002 . 2 . . . A 45 PRO HB3 . 17609 1 320 . 1 1 45 45 PRO HG2 H 1 1.826 0.000 . 2 . . . A 45 PRO HG2 . 17609 1 321 . 1 1 45 45 PRO HG3 H 1 1.826 0.000 . 2 . . . A 45 PRO HG3 . 17609 1 322 . 1 1 45 45 PRO HD2 H 1 3.694 0.003 . 2 . . . A 45 PRO HD2 . 17609 1 323 . 1 1 45 45 PRO HD3 H 1 3.694 0.003 . 2 . . . A 45 PRO HD3 . 17609 1 324 . 1 1 45 45 PRO C C 13 176.629 0.000 . 1 . . . A 45 PRO C . 17609 1 325 . 1 1 45 45 PRO CA C 13 63.689 0.045 . 1 . . . A 45 PRO CA . 17609 1 326 . 1 1 45 45 PRO CB C 13 32.188 0.065 . 1 . . . A 45 PRO CB . 17609 1 327 . 1 1 45 45 PRO CG C 13 27.091 0.084 . 1 . . . A 45 PRO CG . 17609 1 328 . 1 1 45 45 PRO CD C 13 50.529 0.059 . 1 . . . A 45 PRO CD . 17609 1 329 . 1 1 46 46 TYR H H 1 7.876 0.003 . 1 . . . A 46 TYR H . 17609 1 330 . 1 1 46 46 TYR HA H 1 4.629 0.001 . 1 . . . A 46 TYR HA . 17609 1 331 . 1 1 46 46 TYR HB2 H 1 2.879 0.000 . 2 . . . A 46 TYR HB2 . 17609 1 332 . 1 1 46 46 TYR HB3 H 1 2.879 0.000 . 2 . . . A 46 TYR HB3 . 17609 1 333 . 1 1 46 46 TYR HD2 H 1 7.000 0.009 . 3 . . . A 46 TYR HD2 . 17609 1 334 . 1 1 46 46 TYR HE2 H 1 6.841 0.005 . 3 . . . A 46 TYR HE2 . 17609 1 335 . 1 1 46 46 TYR C C 13 174.693 0.000 . 1 . . . A 46 TYR C . 17609 1 336 . 1 1 46 46 TYR CA C 13 57.568 0.034 . 1 . . . A 46 TYR CA . 17609 1 337 . 1 1 46 46 TYR CB C 13 38.628 0.028 . 1 . . . A 46 TYR CB . 17609 1 338 . 1 1 46 46 TYR CD2 C 13 131.199 0.006 . 3 . . . A 46 TYR CD2 . 17609 1 339 . 1 1 46 46 TYR CE2 C 13 116.291 0.023 . 3 . . . A 46 TYR CE2 . 17609 1 340 . 1 1 46 46 TYR N N 15 117.892 0.024 . 1 . . . A 46 TYR N . 17609 1 341 . 1 1 47 47 ARG H H 1 8.647 0.002 . 1 . . . A 47 ARG H . 17609 1 342 . 1 1 47 47 ARG HA H 1 5.170 0.009 . 1 . . . A 47 ARG HA . 17609 1 343 . 1 1 47 47 ARG HB2 H 1 1.607 0.007 . 2 . . . A 47 ARG HB2 . 17609 1 344 . 1 1 47 47 ARG HB3 H 1 1.607 0.007 . 2 . . . A 47 ARG HB3 . 17609 1 345 . 1 1 47 47 ARG HG2 H 1 1.323 0.007 . 2 . . . A 47 ARG HG2 . 17609 1 346 . 1 1 47 47 ARG HG3 H 1 1.323 0.007 . 2 . . . A 47 ARG HG3 . 17609 1 347 . 1 1 47 47 ARG HD2 H 1 3.080 0.000 . 2 . . . A 47 ARG HD2 . 17609 1 348 . 1 1 47 47 ARG HD3 H 1 3.080 0.000 . 2 . . . A 47 ARG HD3 . 17609 1 349 . 1 1 47 47 ARG C C 13 175.021 0.000 . 1 . . . A 47 ARG C . 17609 1 350 . 1 1 47 47 ARG CA C 13 54.435 0.023 . 1 . . . A 47 ARG CA . 17609 1 351 . 1 1 47 47 ARG CB C 13 33.811 0.020 . 1 . . . A 47 ARG CB . 17609 1 352 . 1 1 47 47 ARG CG C 13 27.440 0.135 . 1 . . . A 47 ARG CG . 17609 1 353 . 1 1 47 47 ARG CD C 13 43.591 0.059 . 1 . . . A 47 ARG CD . 17609 1 354 . 1 1 47 47 ARG N N 15 124.048 0.023 . 1 . . . A 47 ARG N . 17609 1 355 . 1 1 48 48 CYS H H 1 9.393 0.005 . 1 . . . A 48 CYS H . 17609 1 356 . 1 1 48 48 CYS HA H 1 4.505 0.003 . 1 . . . A 48 CYS HA . 17609 1 357 . 1 1 48 48 CYS HB2 H 1 3.336 0.003 . 2 . . . A 48 CYS HB2 . 17609 1 358 . 1 1 48 48 CYS HB3 H 1 2.781 0.005 . 2 . . . A 48 CYS HB3 . 17609 1 359 . 1 1 48 48 CYS C C 13 177.178 0.010 . 1 . . . A 48 CYS C . 17609 1 360 . 1 1 48 48 CYS CA C 13 59.254 0.015 . 1 . . . A 48 CYS CA . 17609 1 361 . 1 1 48 48 CYS CB C 13 29.834 0.024 . 1 . . . A 48 CYS CB . 17609 1 362 . 1 1 48 48 CYS N N 15 127.083 0.019 . 1 . . . A 48 CYS N . 17609 1 363 . 1 1 49 49 ASN H H 1 9.276 0.002 . 1 . . . A 49 ASN H . 17609 1 364 . 1 1 49 49 ASN HA H 1 4.544 0.006 . 1 . . . A 49 ASN HA . 17609 1 365 . 1 1 49 49 ASN HB2 H 1 2.887 0.000 . 2 . . . A 49 ASN HB2 . 17609 1 366 . 1 1 49 49 ASN HB3 H 1 2.887 0.000 . 2 . . . A 49 ASN HB3 . 17609 1 367 . 1 1 49 49 ASN C C 13 175.326 0.026 . 1 . . . A 49 ASN C . 17609 1 368 . 1 1 49 49 ASN CA C 13 55.092 0.014 . 1 . . . A 49 ASN CA . 17609 1 369 . 1 1 49 49 ASN CB C 13 38.076 0.034 . 1 . . . A 49 ASN CB . 17609 1 370 . 1 1 49 49 ASN N N 15 129.748 0.025 . 1 . . . A 49 ASN N . 17609 1 371 . 1 1 50 50 ILE H H 1 8.760 0.004 . 1 . . . A 50 ILE H . 17609 1 372 . 1 1 50 50 ILE HA H 1 3.880 0.003 . 1 . . . A 50 ILE HA . 17609 1 373 . 1 1 50 50 ILE HB H 1 1.100 0.008 . 1 . . . A 50 ILE HB . 17609 1 374 . 1 1 50 50 ILE HG12 H 1 1.374 0.002 . 2 . . . A 50 ILE HG12 . 17609 1 375 . 1 1 50 50 ILE HG13 H 1 1.070 0.000 . 2 . . . A 50 ILE HG13 . 17609 1 376 . 1 1 50 50 ILE HG21 H 1 0.270 0.006 . 1 . . . A 50 ILE HG21 . 17609 1 377 . 1 1 50 50 ILE HG22 H 1 0.270 0.006 . 1 . . . A 50 ILE HG22 . 17609 1 378 . 1 1 50 50 ILE HG23 H 1 0.270 0.006 . 1 . . . A 50 ILE HG23 . 17609 1 379 . 1 1 50 50 ILE HD11 H 1 0.669 0.004 . 1 . . . A 50 ILE HD11 . 17609 1 380 . 1 1 50 50 ILE HD12 H 1 0.669 0.004 . 1 . . . A 50 ILE HD12 . 17609 1 381 . 1 1 50 50 ILE HD13 H 1 0.669 0.004 . 1 . . . A 50 ILE HD13 . 17609 1 382 . 1 1 50 50 ILE C C 13 177.253 0.008 . 1 . . . A 50 ILE C . 17609 1 383 . 1 1 50 50 ILE CA C 13 63.299 0.047 . 1 . . . A 50 ILE CA . 17609 1 384 . 1 1 50 50 ILE CB C 13 38.369 0.047 . 1 . . . A 50 ILE CB . 17609 1 385 . 1 1 50 50 ILE CG1 C 13 27.995 0.063 . 1 . . . A 50 ILE CG1 . 17609 1 386 . 1 1 50 50 ILE CG2 C 13 16.316 0.133 . 1 . . . A 50 ILE CG2 . 17609 1 387 . 1 1 50 50 ILE CD1 C 13 12.115 0.163 . 1 . . . A 50 ILE CD1 . 17609 1 388 . 1 1 50 50 ILE N N 15 122.029 0.014 . 1 . . . A 50 ILE N . 17609 1 389 . 1 1 51 51 CYS H H 1 8.111 0.003 . 1 . . . A 51 CYS H . 17609 1 390 . 1 1 51 51 CYS HA H 1 5.160 0.003 . 1 . . . A 51 CYS HA . 17609 1 391 . 1 1 51 51 CYS HB2 H 1 3.473 0.006 . 2 . . . A 51 CYS HB2 . 17609 1 392 . 1 1 51 51 CYS HB3 H 1 2.767 0.001 . 2 . . . A 51 CYS HB3 . 17609 1 393 . 1 1 51 51 CYS C C 13 176.761 0.019 . 1 . . . A 51 CYS C . 17609 1 394 . 1 1 51 51 CYS CA C 13 58.176 0.006 . 1 . . . A 51 CYS CA . 17609 1 395 . 1 1 51 51 CYS CB C 13 33.065 0.023 . 1 . . . A 51 CYS CB . 17609 1 396 . 1 1 51 51 CYS N N 15 116.166 0.025 . 1 . . . A 51 CYS N . 17609 1 397 . 1 1 52 52 GLY H H 1 8.008 0.004 . 1 . . . A 52 GLY H . 17609 1 398 . 1 1 52 52 GLY HA2 H 1 4.251 0.001 . 2 . . . A 52 GLY HA2 . 17609 1 399 . 1 1 52 52 GLY HA3 H 1 3.741 0.003 . 2 . . . A 52 GLY HA3 . 17609 1 400 . 1 1 52 52 GLY C C 13 173.819 0.029 . 1 . . . A 52 GLY C . 17609 1 401 . 1 1 52 52 GLY CA C 13 46.062 0.024 . 1 . . . A 52 GLY CA . 17609 1 402 . 1 1 52 52 GLY N N 15 113.330 0.026 . 1 . . . A 52 GLY N . 17609 1 403 . 1 1 53 53 ALA H H 1 8.258 0.004 . 1 . . . A 53 ALA H . 17609 1 404 . 1 1 53 53 ALA HA H 1 3.989 0.003 . 1 . . . A 53 ALA HA . 17609 1 405 . 1 1 53 53 ALA HB1 H 1 0.940 0.004 . 1 . . . A 53 ALA HB1 . 17609 1 406 . 1 1 53 53 ALA HB2 H 1 0.940 0.004 . 1 . . . A 53 ALA HB2 . 17609 1 407 . 1 1 53 53 ALA HB3 H 1 0.940 0.004 . 1 . . . A 53 ALA HB3 . 17609 1 408 . 1 1 53 53 ALA C C 13 175.573 0.024 . 1 . . . A 53 ALA C . 17609 1 409 . 1 1 53 53 ALA CA C 13 53.644 0.011 . 1 . . . A 53 ALA CA . 17609 1 410 . 1 1 53 53 ALA CB C 13 19.622 0.057 . 1 . . . A 53 ALA CB . 17609 1 411 . 1 1 53 53 ALA N N 15 125.721 0.016 . 1 . . . A 53 ALA N . 17609 1 412 . 1 1 54 54 GLN H H 1 7.835 0.003 . 1 . . . A 54 GLN H . 17609 1 413 . 1 1 54 54 GLN HA H 1 5.010 0.009 . 1 . . . A 54 GLN HA . 17609 1 414 . 1 1 54 54 GLN HB2 H 1 1.937 0.000 . 2 . . . A 54 GLN HB2 . 17609 1 415 . 1 1 54 54 GLN HB3 H 1 1.646 0.004 . 2 . . . A 54 GLN HB3 . 17609 1 416 . 1 1 54 54 GLN HG2 H 1 2.392 0.008 . 2 . . . A 54 GLN HG2 . 17609 1 417 . 1 1 54 54 GLN HG3 H 1 2.028 0.009 . 2 . . . A 54 GLN HG3 . 17609 1 418 . 1 1 54 54 GLN HE21 H 1 7.591 0.002 . 2 . . . A 54 GLN HE21 . 17609 1 419 . 1 1 54 54 GLN HE22 H 1 6.839 0.002 . 2 . . . A 54 GLN HE22 . 17609 1 420 . 1 1 54 54 GLN C C 13 175.211 0.018 . 1 . . . A 54 GLN C . 17609 1 421 . 1 1 54 54 GLN CA C 13 54.471 0.088 . 1 . . . A 54 GLN CA . 17609 1 422 . 1 1 54 54 GLN CB C 13 32.619 0.023 . 1 . . . A 54 GLN CB . 17609 1 423 . 1 1 54 54 GLN CG C 13 34.320 0.007 . 1 . . . A 54 GLN CG . 17609 1 424 . 1 1 54 54 GLN N N 15 117.667 0.067 . 1 . . . A 54 GLN N . 17609 1 425 . 1 1 54 54 GLN NE2 N 15 111.743 0.014 . 1 . . . A 54 GLN NE2 . 17609 1 426 . 1 1 55 55 PHE H H 1 8.763 0.003 . 1 . . . A 55 PHE H . 17609 1 427 . 1 1 55 55 PHE HA H 1 4.726 0.016 . 1 . . . A 55 PHE HA . 17609 1 428 . 1 1 55 55 PHE HB2 H 1 3.464 0.002 . 2 . . . A 55 PHE HB2 . 17609 1 429 . 1 1 55 55 PHE HB3 H 1 2.517 0.005 . 2 . . . A 55 PHE HB3 . 17609 1 430 . 1 1 55 55 PHE HD1 H 1 7.146 0.006 . 3 . . . A 55 PHE HD1 . 17609 1 431 . 1 1 55 55 PHE HE1 H 1 6.810 0.003 . 3 . . . A 55 PHE HE1 . 17609 1 432 . 1 1 55 55 PHE C C 13 174.947 0.019 . 1 . . . A 55 PHE C . 17609 1 433 . 1 1 55 55 PHE CA C 13 57.345 0.008 . 1 . . . A 55 PHE CA . 17609 1 434 . 1 1 55 55 PHE CB C 13 43.757 0.063 . 1 . . . A 55 PHE CB . 17609 1 435 . 1 1 55 55 PHE CD1 C 13 130.215 0.031 . 3 . . . A 55 PHE CD1 . 17609 1 436 . 1 1 55 55 PHE CE1 C 13 128.983 0.031 . 3 . . . A 55 PHE CE1 . 17609 1 437 . 1 1 55 55 PHE N N 15 117.252 0.019 . 1 . . . A 55 PHE N . 17609 1 438 . 1 1 56 56 ASN H H 1 9.223 0.003 . 1 . . . A 56 ASN H . 17609 1 439 . 1 1 56 56 ASN HA H 1 5.067 0.007 . 1 . . . A 56 ASN HA . 17609 1 440 . 1 1 56 56 ASN HB2 H 1 3.031 0.007 . 2 . . . A 56 ASN HB2 . 17609 1 441 . 1 1 56 56 ASN HB3 H 1 2.958 0.010 . 2 . . . A 56 ASN HB3 . 17609 1 442 . 1 1 56 56 ASN C C 13 175.648 0.027 . 1 . . . A 56 ASN C . 17609 1 443 . 1 1 56 56 ASN CA C 13 54.423 0.067 . 1 . . . A 56 ASN CA . 17609 1 444 . 1 1 56 56 ASN CB C 13 40.209 0.045 . 1 . . . A 56 ASN CB . 17609 1 445 . 1 1 56 56 ASN N N 15 118.740 0.018 . 1 . . . A 56 ASN N . 17609 1 446 . 1 1 57 57 ARG H H 1 7.615 0.003 . 1 . . . A 57 ARG H . 17609 1 447 . 1 1 57 57 ARG C C 13 175.256 0.000 . 1 . . . A 57 ARG C . 17609 1 448 . 1 1 57 57 ARG CA C 13 52.631 0.000 . 1 . . . A 57 ARG CA . 17609 1 449 . 1 1 57 57 ARG CB C 13 31.984 0.000 . 1 . . . A 57 ARG CB . 17609 1 450 . 1 1 57 57 ARG N N 15 117.166 0.017 . 1 . . . A 57 ARG N . 17609 1 451 . 1 1 58 58 PRO HA H 1 3.404 0.009 . 1 . . . A 58 PRO HA . 17609 1 452 . 1 1 58 58 PRO HB2 H 1 1.789 0.003 . 2 . . . A 58 PRO HB2 . 17609 1 453 . 1 1 58 58 PRO HB3 H 1 1.789 0.003 . 2 . . . A 58 PRO HB3 . 17609 1 454 . 1 1 58 58 PRO HG2 H 1 1.505 0.006 . 2 . . . A 58 PRO HG2 . 17609 1 455 . 1 1 58 58 PRO HG3 H 1 1.505 0.006 . 2 . . . A 58 PRO HG3 . 17609 1 456 . 1 1 58 58 PRO HD2 H 1 3.304 0.009 . 2 . . . A 58 PRO HD2 . 17609 1 457 . 1 1 58 58 PRO HD3 H 1 3.304 0.009 . 2 . . . A 58 PRO HD3 . 17609 1 458 . 1 1 58 58 PRO C C 13 179.653 0.000 . 1 . . . A 58 PRO C . 17609 1 459 . 1 1 58 58 PRO CA C 13 64.768 0.048 . 1 . . . A 58 PRO CA . 17609 1 460 . 1 1 58 58 PRO CB C 13 31.171 0.068 . 1 . . . A 58 PRO CB . 17609 1 461 . 1 1 58 58 PRO CG C 13 26.681 0.101 . 1 . . . A 58 PRO CG . 17609 1 462 . 1 1 58 58 PRO CD C 13 50.627 0.039 . 1 . . . A 58 PRO CD . 17609 1 463 . 1 1 59 59 ALA H H 1 8.424 0.005 . 1 . . . A 59 ALA H . 17609 1 464 . 1 1 59 59 ALA HA H 1 3.974 0.004 . 1 . . . A 59 ALA HA . 17609 1 465 . 1 1 59 59 ALA HB1 H 1 1.314 0.013 . 1 . . . A 59 ALA HB1 . 17609 1 466 . 1 1 59 59 ALA HB2 H 1 1.314 0.013 . 1 . . . A 59 ALA HB2 . 17609 1 467 . 1 1 59 59 ALA HB3 H 1 1.314 0.013 . 1 . . . A 59 ALA HB3 . 17609 1 468 . 1 1 59 59 ALA C C 13 179.865 0.000 . 1 . . . A 59 ALA C . 17609 1 469 . 1 1 59 59 ALA CA C 13 55.362 0.117 . 1 . . . A 59 ALA CA . 17609 1 470 . 1 1 59 59 ALA CB C 13 18.604 0.072 . 1 . . . A 59 ALA CB . 17609 1 471 . 1 1 59 59 ALA N N 15 119.975 0.101 . 1 . . . A 59 ALA N . 17609 1 472 . 1 1 60 60 ASN H H 1 6.942 0.003 . 1 . . . A 60 ASN H . 17609 1 473 . 1 1 60 60 ASN HA H 1 4.419 0.008 . 1 . . . A 60 ASN HA . 17609 1 474 . 1 1 60 60 ASN HB2 H 1 2.838 0.009 . 2 . . . A 60 ASN HB2 . 17609 1 475 . 1 1 60 60 ASN HB3 H 1 2.838 0.009 . 2 . . . A 60 ASN HB3 . 17609 1 476 . 1 1 60 60 ASN HD21 H 1 8.072 0.003 . 2 . . . A 60 ASN HD21 . 17609 1 477 . 1 1 60 60 ASN C C 13 177.665 0.032 . 1 . . . A 60 ASN C . 17609 1 478 . 1 1 60 60 ASN CA C 13 54.997 0.035 . 1 . . . A 60 ASN CA . 17609 1 479 . 1 1 60 60 ASN CB C 13 38.143 0.033 . 1 . . . A 60 ASN CB . 17609 1 480 . 1 1 60 60 ASN N N 15 113.616 0.022 . 1 . . . A 60 ASN N . 17609 1 481 . 1 1 60 60 ASN ND2 N 15 113.026 0.087 . 1 . . . A 60 ASN ND2 . 17609 1 482 . 1 1 61 61 LEU H H 1 6.704 0.004 . 1 . . . A 61 LEU H . 17609 1 483 . 1 1 61 61 LEU HA H 1 3.199 0.004 . 1 . . . A 61 LEU HA . 17609 1 484 . 1 1 61 61 LEU HB2 H 1 1.824 0.002 . 2 . . . A 61 LEU HB2 . 17609 1 485 . 1 1 61 61 LEU HB3 H 1 1.121 0.004 . 2 . . . A 61 LEU HB3 . 17609 1 486 . 1 1 61 61 LEU HG H 1 0.988 0.013 . 1 . . . A 61 LEU HG . 17609 1 487 . 1 1 61 61 LEU HD11 H 1 0.927 0.003 . 2 . . . A 61 LEU HD11 . 17609 1 488 . 1 1 61 61 LEU HD12 H 1 0.927 0.003 . 2 . . . A 61 LEU HD12 . 17609 1 489 . 1 1 61 61 LEU HD13 H 1 0.927 0.003 . 2 . . . A 61 LEU HD13 . 17609 1 490 . 1 1 61 61 LEU C C 13 177.719 0.000 . 1 . . . A 61 LEU C . 17609 1 491 . 1 1 61 61 LEU CA C 13 57.523 0.039 . 1 . . . A 61 LEU CA . 17609 1 492 . 1 1 61 61 LEU CB C 13 40.416 0.043 . 1 . . . A 61 LEU CB . 17609 1 493 . 1 1 61 61 LEU CG C 13 26.512 0.040 . 1 . . . A 61 LEU CG . 17609 1 494 . 1 1 61 61 LEU CD1 C 13 22.622 0.087 . 2 . . . A 61 LEU CD1 . 17609 1 495 . 1 1 61 61 LEU N N 15 121.595 0.017 . 1 . . . A 61 LEU N . 17609 1 496 . 1 1 62 62 LYS H H 1 7.798 0.002 . 1 . . . A 62 LYS H . 17609 1 497 . 1 1 62 62 LYS HA H 1 3.951 0.007 . 1 . . . A 62 LYS HA . 17609 1 498 . 1 1 62 62 LYS HB2 H 1 1.812 0.002 . 2 . . . A 62 LYS HB2 . 17609 1 499 . 1 1 62 62 LYS HB3 H 1 1.812 0.002 . 2 . . . A 62 LYS HB3 . 17609 1 500 . 1 1 62 62 LYS HG2 H 1 1.359 0.000 . 2 . . . A 62 LYS HG2 . 17609 1 501 . 1 1 62 62 LYS HG3 H 1 1.359 0.000 . 2 . . . A 62 LYS HG3 . 17609 1 502 . 1 1 62 62 LYS HD2 H 1 1.608 0.000 . 2 . . . A 62 LYS HD2 . 17609 1 503 . 1 1 62 62 LYS HD3 H 1 1.608 0.000 . 2 . . . A 62 LYS HD3 . 17609 1 504 . 1 1 62 62 LYS HE2 H 1 2.889 0.010 . 2 . . . A 62 LYS HE2 . 17609 1 505 . 1 1 62 62 LYS HE3 H 1 2.889 0.010 . 2 . . . A 62 LYS HE3 . 17609 1 506 . 1 1 62 62 LYS C C 13 179.937 0.006 . 1 . . . A 62 LYS C . 17609 1 507 . 1 1 62 62 LYS CA C 13 59.883 0.041 . 1 . . . A 62 LYS CA . 17609 1 508 . 1 1 62 62 LYS CB C 13 31.844 0.046 . 1 . . . A 62 LYS CB . 17609 1 509 . 1 1 62 62 LYS CG C 13 24.804 0.137 . 1 . . . A 62 LYS CG . 17609 1 510 . 1 1 62 62 LYS CD C 13 29.120 0.024 . 1 . . . A 62 LYS CD . 17609 1 511 . 1 1 62 62 LYS CE C 13 42.118 0.027 . 1 . . . A 62 LYS CE . 17609 1 512 . 1 1 62 62 LYS N N 15 120.107 0.017 . 1 . . . A 62 LYS N . 17609 1 513 . 1 1 63 63 THR H H 1 7.893 0.003 . 1 . . . A 63 THR H . 17609 1 514 . 1 1 63 63 THR HA H 1 3.792 0.005 . 1 . . . A 63 THR HA . 17609 1 515 . 1 1 63 63 THR HB H 1 4.029 0.005 . 1 . . . A 63 THR HB . 17609 1 516 . 1 1 63 63 THR HG21 H 1 1.194 0.003 . 1 . . . A 63 THR HG21 . 17609 1 517 . 1 1 63 63 THR HG22 H 1 1.194 0.003 . 1 . . . A 63 THR HG22 . 17609 1 518 . 1 1 63 63 THR HG23 H 1 1.194 0.003 . 1 . . . A 63 THR HG23 . 17609 1 519 . 1 1 63 63 THR C C 13 176.793 0.020 . 1 . . . A 63 THR C . 17609 1 520 . 1 1 63 63 THR CA C 13 66.172 0.065 . 1 . . . A 63 THR CA . 17609 1 521 . 1 1 63 63 THR CB C 13 68.741 0.141 . 1 . . . A 63 THR CB . 17609 1 522 . 1 1 63 63 THR CG2 C 13 22.307 0.076 . 1 . . . A 63 THR CG2 . 17609 1 523 . 1 1 63 63 THR N N 15 114.829 0.021 . 1 . . . A 63 THR N . 17609 1 524 . 1 1 64 64 HIS H H 1 7.448 0.003 . 1 . . . A 64 HIS H . 17609 1 525 . 1 1 64 64 HIS HA H 1 4.141 0.008 . 1 . . . A 64 HIS HA . 17609 1 526 . 1 1 64 64 HIS HB2 H 1 3.200 0.001 . 2 . . . A 64 HIS HB2 . 17609 1 527 . 1 1 64 64 HIS HB3 H 1 2.916 0.003 . 2 . . . A 64 HIS HB3 . 17609 1 528 . 1 1 64 64 HIS HD2 H 1 6.912 0.011 . 1 . . . A 64 HIS HD2 . 17609 1 529 . 1 1 64 64 HIS HE1 H 1 7.982 0.001 . 1 . . . A 64 HIS HE1 . 17609 1 530 . 1 1 64 64 HIS C C 13 176.662 0.002 . 1 . . . A 64 HIS C . 17609 1 531 . 1 1 64 64 HIS CA C 13 59.794 0.100 . 1 . . . A 64 HIS CA . 17609 1 532 . 1 1 64 64 HIS CB C 13 28.764 0.047 . 1 . . . A 64 HIS CB . 17609 1 533 . 1 1 64 64 HIS CD2 C 13 124.880 0.081 . 1 . . . A 64 HIS CD2 . 17609 1 534 . 1 1 64 64 HIS CE1 C 13 138.030 0.018 . 1 . . . A 64 HIS CE1 . 17609 1 535 . 1 1 64 64 HIS N N 15 121.332 0.016 . 1 . . . A 64 HIS N . 17609 1 536 . 1 1 64 64 HIS ND1 N 15 173.393 0.000 . 1 . . . A 64 HIS ND1 . 17609 1 537 . 1 1 64 64 HIS NE2 N 15 214.440 0.000 . 1 . . . A 64 HIS NE2 . 17609 1 538 . 1 1 65 65 THR H H 1 8.265 0.003 . 1 . . . A 65 THR H . 17609 1 539 . 1 1 65 65 THR HA H 1 3.703 0.003 . 1 . . . A 65 THR HA . 17609 1 540 . 1 1 65 65 THR HB H 1 4.377 0.003 . 1 . . . A 65 THR HB . 17609 1 541 . 1 1 65 65 THR HG21 H 1 1.554 0.007 . 1 . . . A 65 THR HG21 . 17609 1 542 . 1 1 65 65 THR HG22 H 1 1.554 0.007 . 1 . . . A 65 THR HG22 . 17609 1 543 . 1 1 65 65 THR HG23 H 1 1.554 0.007 . 1 . . . A 65 THR HG23 . 17609 1 544 . 1 1 65 65 THR C C 13 176.285 0.003 . 1 . . . A 65 THR C . 17609 1 545 . 1 1 65 65 THR CA C 13 66.541 0.039 . 1 . . . A 65 THR CA . 17609 1 546 . 1 1 65 65 THR CB C 13 69.397 0.037 . 1 . . . A 65 THR CB . 17609 1 547 . 1 1 65 65 THR CG2 C 13 22.299 0.096 . 1 . . . A 65 THR CG2 . 17609 1 548 . 1 1 65 65 THR N N 15 110.185 0.019 . 1 . . . A 65 THR N . 17609 1 549 . 1 1 66 66 ARG H H 1 7.142 0.005 . 1 . . . A 66 ARG H . 17609 1 550 . 1 1 66 66 ARG HA H 1 4.095 0.011 . 1 . . . A 66 ARG HA . 17609 1 551 . 1 1 66 66 ARG HB2 H 1 1.848 0.001 . 2 . . . A 66 ARG HB2 . 17609 1 552 . 1 1 66 66 ARG HB3 H 1 1.848 0.001 . 2 . . . A 66 ARG HB3 . 17609 1 553 . 1 1 66 66 ARG HG2 H 1 1.712 0.000 . 2 . . . A 66 ARG HG2 . 17609 1 554 . 1 1 66 66 ARG HG3 H 1 1.712 0.000 . 2 . . . A 66 ARG HG3 . 17609 1 555 . 1 1 66 66 ARG HD2 H 1 3.189 0.002 . 2 . . . A 66 ARG HD2 . 17609 1 556 . 1 1 66 66 ARG HD3 H 1 3.189 0.002 . 2 . . . A 66 ARG HD3 . 17609 1 557 . 1 1 66 66 ARG C C 13 178.907 0.022 . 1 . . . A 66 ARG C . 17609 1 558 . 1 1 66 66 ARG CA C 13 58.670 0.033 . 1 . . . A 66 ARG CA . 17609 1 559 . 1 1 66 66 ARG CB C 13 30.078 0.061 . 1 . . . A 66 ARG CB . 17609 1 560 . 1 1 66 66 ARG CG C 13 27.542 0.002 . 1 . . . A 66 ARG CG . 17609 1 561 . 1 1 66 66 ARG CD C 13 43.490 0.076 . 1 . . . A 66 ARG CD . 17609 1 562 . 1 1 66 66 ARG N N 15 120.442 0.016 . 1 . . . A 66 ARG N . 17609 1 563 . 1 1 67 67 ILE H H 1 7.820 0.004 . 1 . . . A 67 ILE H . 17609 1 564 . 1 1 67 67 ILE HA H 1 3.944 0.004 . 1 . . . A 67 ILE HA . 17609 1 565 . 1 1 67 67 ILE HB H 1 1.632 0.003 . 1 . . . A 67 ILE HB . 17609 1 566 . 1 1 67 67 ILE HG12 H 1 0.847 0.001 . 2 . . . A 67 ILE HG12 . 17609 1 567 . 1 1 67 67 ILE HG13 H 1 0.847 0.001 . 2 . . . A 67 ILE HG13 . 17609 1 568 . 1 1 67 67 ILE HG21 H 1 0.574 0.007 . 1 . . . A 67 ILE HG21 . 17609 1 569 . 1 1 67 67 ILE HG22 H 1 0.574 0.007 . 1 . . . A 67 ILE HG22 . 17609 1 570 . 1 1 67 67 ILE HG23 H 1 0.574 0.007 . 1 . . . A 67 ILE HG23 . 17609 1 571 . 1 1 67 67 ILE HD11 H 1 0.651 0.012 . 1 . . . A 67 ILE HD11 . 17609 1 572 . 1 1 67 67 ILE HD12 H 1 0.651 0.012 . 1 . . . A 67 ILE HD12 . 17609 1 573 . 1 1 67 67 ILE HD13 H 1 0.651 0.012 . 1 . . . A 67 ILE HD13 . 17609 1 574 . 1 1 67 67 ILE C C 13 177.818 0.030 . 1 . . . A 67 ILE C . 17609 1 575 . 1 1 67 67 ILE CA C 13 63.421 0.052 . 1 . . . A 67 ILE CA . 17609 1 576 . 1 1 67 67 ILE CB C 13 37.661 0.029 . 1 . . . A 67 ILE CB . 17609 1 577 . 1 1 67 67 ILE CG1 C 13 26.287 0.077 . 1 . . . A 67 ILE CG1 . 17609 1 578 . 1 1 67 67 ILE CG2 C 13 16.258 0.095 . 1 . . . A 67 ILE CG2 . 17609 1 579 . 1 1 67 67 ILE CD1 C 13 14.358 0.187 . 1 . . . A 67 ILE CD1 . 17609 1 580 . 1 1 67 67 ILE N N 15 116.458 0.016 . 1 . . . A 67 ILE N . 17609 1 581 . 1 1 68 68 HIS H H 1 7.196 0.003 . 1 . . . A 68 HIS H . 17609 1 582 . 1 1 68 68 HIS HA H 1 4.874 0.001 . 1 . . . A 68 HIS HA . 17609 1 583 . 1 1 68 68 HIS HB2 H 1 3.261 0.000 . 2 . . . A 68 HIS HB2 . 17609 1 584 . 1 1 68 68 HIS HB3 H 1 3.261 0.000 . 2 . . . A 68 HIS HB3 . 17609 1 585 . 1 1 68 68 HIS HD2 H 1 6.723 0.004 . 1 . . . A 68 HIS HD2 . 17609 1 586 . 1 1 68 68 HIS HE1 H 1 8.090 0.002 . 1 . . . A 68 HIS HE1 . 17609 1 587 . 1 1 68 68 HIS C C 13 175.815 0.023 . 1 . . . A 68 HIS C . 17609 1 588 . 1 1 68 68 HIS CA C 13 54.938 0.013 . 1 . . . A 68 HIS CA . 17609 1 589 . 1 1 68 68 HIS CB C 13 28.698 0.023 . 1 . . . A 68 HIS CB . 17609 1 590 . 1 1 68 68 HIS CD2 C 13 125.962 0.024 . 1 . . . A 68 HIS CD2 . 17609 1 591 . 1 1 68 68 HIS CE1 C 13 138.474 0.012 . 1 . . . A 68 HIS CE1 . 17609 1 592 . 1 1 68 68 HIS N N 15 117.281 0.019 . 1 . . . A 68 HIS N . 17609 1 593 . 1 1 68 68 HIS ND1 N 15 171.067 0.000 . 1 . . . A 68 HIS ND1 . 17609 1 594 . 1 1 68 68 HIS NE2 N 15 211.142 0.006 . 1 . . . A 68 HIS NE2 . 17609 1 595 . 1 1 69 69 SER H H 1 7.797 0.002 . 1 . . . A 69 SER H . 17609 1 596 . 1 1 69 69 SER HA H 1 4.429 0.002 . 1 . . . A 69 SER HA . 17609 1 597 . 1 1 69 69 SER HB2 H 1 3.928 0.002 . 2 . . . A 69 SER HB2 . 17609 1 598 . 1 1 69 69 SER HB3 H 1 3.928 0.002 . 2 . . . A 69 SER HB3 . 17609 1 599 . 1 1 69 69 SER C C 13 175.411 0.023 . 1 . . . A 69 SER C . 17609 1 600 . 1 1 69 69 SER CA C 13 59.230 0.060 . 1 . . . A 69 SER CA . 17609 1 601 . 1 1 69 69 SER CB C 13 63.908 0.050 . 1 . . . A 69 SER CB . 17609 1 602 . 1 1 69 69 SER N N 15 114.938 0.020 . 1 . . . A 69 SER N . 17609 1 603 . 1 1 70 70 GLY H H 1 8.336 0.003 . 1 . . . A 70 GLY H . 17609 1 604 . 1 1 70 70 GLY HA2 H 1 3.970 0.003 . 2 . . . A 70 GLY HA2 . 17609 1 605 . 1 1 70 70 GLY HA3 H 1 3.970 0.003 . 2 . . . A 70 GLY HA3 . 17609 1 606 . 1 1 70 70 GLY C C 13 174.460 0.015 . 1 . . . A 70 GLY C . 17609 1 607 . 1 1 70 70 GLY CA C 13 45.408 0.020 . 1 . . . A 70 GLY CA . 17609 1 608 . 1 1 70 70 GLY N N 15 110.823 0.014 . 1 . . . A 70 GLY N . 17609 1 609 . 1 1 71 71 GLU H H 1 8.035 0.002 . 1 . . . A 71 GLU H . 17609 1 610 . 1 1 71 71 GLU HA H 1 4.248 0.003 . 1 . . . A 71 GLU HA . 17609 1 611 . 1 1 71 71 GLU HB2 H 1 1.954 0.004 . 2 . . . A 71 GLU HB2 . 17609 1 612 . 1 1 71 71 GLU HB3 H 1 1.954 0.004 . 2 . . . A 71 GLU HB3 . 17609 1 613 . 1 1 71 71 GLU HG2 H 1 2.236 0.004 . 2 . . . A 71 GLU HG2 . 17609 1 614 . 1 1 71 71 GLU HG3 H 1 2.236 0.004 . 2 . . . A 71 GLU HG3 . 17609 1 615 . 1 1 71 71 GLU C C 13 176.486 0.016 . 1 . . . A 71 GLU C . 17609 1 616 . 1 1 71 71 GLU CA C 13 56.441 0.032 . 1 . . . A 71 GLU CA . 17609 1 617 . 1 1 71 71 GLU CB C 13 30.513 0.070 . 1 . . . A 71 GLU CB . 17609 1 618 . 1 1 71 71 GLU CG C 13 36.362 0.016 . 1 . . . A 71 GLU CG . 17609 1 619 . 1 1 71 71 GLU N N 15 120.400 0.016 . 1 . . . A 71 GLU N . 17609 1 620 . 1 1 72 72 LYS H H 1 8.324 0.002 . 1 . . . A 72 LYS H . 17609 1 621 . 1 1 72 72 LYS HA H 1 4.547 0.006 . 1 . . . A 72 LYS HA . 17609 1 622 . 1 1 72 72 LYS HB2 H 1 1.698 0.002 . 2 . . . A 72 LYS HB2 . 17609 1 623 . 1 1 72 72 LYS HB3 H 1 1.698 0.002 . 2 . . . A 72 LYS HB3 . 17609 1 624 . 1 1 72 72 LYS HE2 H 1 2.968 0.000 . 2 . . . A 72 LYS HE2 . 17609 1 625 . 1 1 72 72 LYS HE3 H 1 2.968 0.000 . 2 . . . A 72 LYS HE3 . 17609 1 626 . 1 1 72 72 LYS C C 13 175.014 0.000 . 1 . . . A 72 LYS C . 17609 1 627 . 1 1 72 72 LYS CA C 13 54.084 0.000 . 1 . . . A 72 LYS CA . 17609 1 628 . 1 1 72 72 LYS CB C 13 32.744 0.021 . 1 . . . A 72 LYS CB . 17609 1 629 . 1 1 72 72 LYS N N 15 123.192 0.022 . 1 . . . A 72 LYS N . 17609 1 630 . 1 1 73 73 PRO HA H 1 4.356 0.006 . 1 . . . A 73 PRO HA . 17609 1 631 . 1 1 73 73 PRO HB2 H 1 2.146 0.002 . 2 . . . A 73 PRO HB2 . 17609 1 632 . 1 1 73 73 PRO HB3 H 1 1.876 0.003 . 2 . . . A 73 PRO HB3 . 17609 1 633 . 1 1 73 73 PRO HG2 H 1 1.901 0.000 . 2 . . . A 73 PRO HG2 . 17609 1 634 . 1 1 73 73 PRO HG3 H 1 1.901 0.000 . 2 . . . A 73 PRO HG3 . 17609 1 635 . 1 1 73 73 PRO HD2 H 1 3.670 0.000 . 2 . . . A 73 PRO HD2 . 17609 1 636 . 1 1 73 73 PRO HD3 H 1 3.599 0.000 . 2 . . . A 73 PRO HD3 . 17609 1 637 . 1 1 73 73 PRO C C 13 175.844 0.000 . 1 . . . A 73 PRO C . 17609 1 638 . 1 1 73 73 PRO CA C 13 63.490 0.051 . 1 . . . A 73 PRO CA . 17609 1 639 . 1 1 73 73 PRO CB C 13 31.811 0.054 . 1 . . . A 73 PRO CB . 17609 1 640 . 1 1 73 73 PRO CG C 13 27.214 0.068 . 1 . . . A 73 PRO CG . 17609 1 641 . 1 1 73 73 PRO CD C 13 50.537 0.071 . 1 . . . A 73 PRO CD . 17609 1 642 . 1 1 74 74 TYR H H 1 7.441 0.002 . 1 . . . A 74 TYR H . 17609 1 643 . 1 1 74 74 TYR HD1 H 1 7.081 0.004 . 3 . . . A 74 TYR HD1 . 17609 1 644 . 1 1 74 74 TYR HE1 H 1 6.801 0.001 . 3 . . . A 74 TYR HE1 . 17609 1 645 . 1 1 74 74 TYR CA C 13 58.862 0.000 . 1 . . . A 74 TYR CA . 17609 1 646 . 1 1 74 74 TYR CB C 13 39.189 0.029 . 1 . . . A 74 TYR CB . 17609 1 647 . 1 1 74 74 TYR CE1 C 13 116.053 0.001 . 3 . . . A 74 TYR CE1 . 17609 1 648 . 1 1 74 74 TYR N N 15 123.873 0.015 . 1 . . . A 74 TYR N . 17609 1 stop_ save_