data_25933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25933 _Entry.Title ; NSD1-PHD_5-C5HCH tandem domain structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-22 _Entry.Accession_date 2015-12-22 _Entry.Last_release_date 2016-07-21 _Entry.Original_release_date 2016-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Andrea Berardi . . . . 25933 2 Giacomo Quilici . . . . 25933 3 Dimitrios Spiliotopoulos . . . . 25933 4 Giovanna Musco . . . . 25933 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 1 'not applicable' 'not applicable' . 25933 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NSD1 . 25933 'PHD finger' . 25933 PHD5C5HCH . 25933 tandem . 25933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 25933 '15N chemical shifts' 93 25933 '1H chemical shifts' 579 25933 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 2 . . 2016-07-21 2015-12-22 update BMRB 'update entry citation' 25933 1 . . 2016-02-23 2015-12-22 original author 'original release' 25933 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25934 'Nizp1-C2HR zinc finger' 25933 PDB 2NAA 'BMRB Entry Tracking System' 25933 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25933 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26896805 _Citation.Full_citation . _Citation.Title ; Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 44 _Citation.Journal_issue 7 _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 3448 _Citation.Page_last 3463 _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 Andrea Berardi . . . . 25933 1 2 Giacomo Quilici . . . . 25933 1 3 Dimitrios Spiliotopoulos . . . . 25933 1 4 'Maria Angeles' Corral-Rodriguez . . . . 25933 1 5 Fernando Martin . . . . 25933 1 6 Massimo Degano . . . . 25933 1 7 Giovanni Tonon . . . . 25933 1 8 Giovanna Musco . . . . 25933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25933 _Assembly.ID 1 _Assembly.Name 'NSD1-PHD_5-C5HCH tandem domain' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 . yes native no no . . . 25933 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 25933 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 25933 1 4 'ZINC ION_3' 2 $entity_ZN D . no native no no . . . 25933 1 5 'ZINC ION_4' 2 $entity_ZN E . no native no no . . . 25933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25933 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMEREDECFSCGDAGQLVS CKKPGCPKVYHADCLNLTKR PAGKWECPWHQCDVCGKEAA SFCEMCPSSFCKQHREGMLF ISKLDGRLSCTEHD ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _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 10480.064 _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 1 GLY . 25933 1 2 2 ALA . 25933 1 3 3 MET . 25933 1 4 4 GLU . 25933 1 5 5 ARG . 25933 1 6 6 GLU . 25933 1 7 7 ASP . 25933 1 8 8 GLU . 25933 1 9 9 CYS . 25933 1 10 10 PHE . 25933 1 11 11 SER . 25933 1 12 12 CYS . 25933 1 13 13 GLY . 25933 1 14 14 ASP . 25933 1 15 15 ALA . 25933 1 16 16 GLY . 25933 1 17 17 GLN . 25933 1 18 18 LEU . 25933 1 19 19 VAL . 25933 1 20 20 SER . 25933 1 21 21 CYS . 25933 1 22 22 LYS . 25933 1 23 23 LYS . 25933 1 24 24 PRO . 25933 1 25 25 GLY . 25933 1 26 26 CYS . 25933 1 27 27 PRO . 25933 1 28 28 LYS . 25933 1 29 29 VAL . 25933 1 30 30 TYR . 25933 1 31 31 HIS . 25933 1 32 32 ALA . 25933 1 33 33 ASP . 25933 1 34 34 CYS . 25933 1 35 35 LEU . 25933 1 36 36 ASN . 25933 1 37 37 LEU . 25933 1 38 38 THR . 25933 1 39 39 LYS . 25933 1 40 40 ARG . 25933 1 41 41 PRO . 25933 1 42 42 ALA . 25933 1 43 43 GLY . 25933 1 44 44 LYS . 25933 1 45 45 TRP . 25933 1 46 46 GLU . 25933 1 47 47 CYS . 25933 1 48 48 PRO . 25933 1 49 49 TRP . 25933 1 50 50 HIS . 25933 1 51 51 GLN . 25933 1 52 52 CYS . 25933 1 53 53 ASP . 25933 1 54 54 VAL . 25933 1 55 55 CYS . 25933 1 56 56 GLY . 25933 1 57 57 LYS . 25933 1 58 58 GLU . 25933 1 59 59 ALA . 25933 1 60 60 ALA . 25933 1 61 61 SER . 25933 1 62 62 PHE . 25933 1 63 63 CYS . 25933 1 64 64 GLU . 25933 1 65 65 MET . 25933 1 66 66 CYS . 25933 1 67 67 PRO . 25933 1 68 68 SER . 25933 1 69 69 SER . 25933 1 70 70 PHE . 25933 1 71 71 CYS . 25933 1 72 72 LYS . 25933 1 73 73 GLN . 25933 1 74 74 HIS . 25933 1 75 75 ARG . 25933 1 76 76 GLU . 25933 1 77 77 GLY . 25933 1 78 78 MET . 25933 1 79 79 LEU . 25933 1 80 80 PHE . 25933 1 81 81 ILE . 25933 1 82 82 SER . 25933 1 83 83 LYS . 25933 1 84 84 LEU . 25933 1 85 85 ASP . 25933 1 86 86 GLY . 25933 1 87 87 ARG . 25933 1 88 88 LEU . 25933 1 89 89 SER . 25933 1 90 90 CYS . 25933 1 91 91 THR . 25933 1 92 92 GLU . 25933 1 93 93 HIS . 25933 1 94 94 ASP . 25933 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25933 1 . ALA 2 2 25933 1 . MET 3 3 25933 1 . GLU 4 4 25933 1 . ARG 5 5 25933 1 . GLU 6 6 25933 1 . ASP 7 7 25933 1 . GLU 8 8 25933 1 . CYS 9 9 25933 1 . PHE 10 10 25933 1 . SER 11 11 25933 1 . CYS 12 12 25933 1 . GLY 13 13 25933 1 . ASP 14 14 25933 1 . ALA 15 15 25933 1 . GLY 16 16 25933 1 . GLN 17 17 25933 1 . LEU 18 18 25933 1 . VAL 19 19 25933 1 . SER 20 20 25933 1 . CYS 21 21 25933 1 . LYS 22 22 25933 1 . LYS 23 23 25933 1 . PRO 24 24 25933 1 . GLY 25 25 25933 1 . CYS 26 26 25933 1 . PRO 27 27 25933 1 . LYS 28 28 25933 1 . VAL 29 29 25933 1 . TYR 30 30 25933 1 . HIS 31 31 25933 1 . ALA 32 32 25933 1 . ASP 33 33 25933 1 . CYS 34 34 25933 1 . LEU 35 35 25933 1 . ASN 36 36 25933 1 . LEU 37 37 25933 1 . THR 38 38 25933 1 . LYS 39 39 25933 1 . ARG 40 40 25933 1 . PRO 41 41 25933 1 . ALA 42 42 25933 1 . GLY 43 43 25933 1 . LYS 44 44 25933 1 . TRP 45 45 25933 1 . GLU 46 46 25933 1 . CYS 47 47 25933 1 . PRO 48 48 25933 1 . TRP 49 49 25933 1 . HIS 50 50 25933 1 . GLN 51 51 25933 1 . CYS 52 52 25933 1 . ASP 53 53 25933 1 . VAL 54 54 25933 1 . CYS 55 55 25933 1 . GLY 56 56 25933 1 . LYS 57 57 25933 1 . GLU 58 58 25933 1 . ALA 59 59 25933 1 . ALA 60 60 25933 1 . SER 61 61 25933 1 . PHE 62 62 25933 1 . CYS 63 63 25933 1 . GLU 64 64 25933 1 . MET 65 65 25933 1 . CYS 66 66 25933 1 . PRO 67 67 25933 1 . SER 68 68 25933 1 . SER 69 69 25933 1 . PHE 70 70 25933 1 . CYS 71 71 25933 1 . LYS 72 72 25933 1 . GLN 73 73 25933 1 . HIS 74 74 25933 1 . ARG 75 75 25933 1 . GLU 76 76 25933 1 . GLY 77 77 25933 1 . MET 78 78 25933 1 . LEU 79 79 25933 1 . PHE 80 80 25933 1 . ILE 81 81 25933 1 . SER 82 82 25933 1 . LYS 83 83 25933 1 . LEU 84 84 25933 1 . ASP 85 85 25933 1 . GLY 86 86 25933 1 . ARG 87 87 25933 1 . LEU 88 88 25933 1 . SER 89 89 25933 1 . CYS 90 90 25933 1 . THR 91 91 25933 1 . GLU 92 92 25933 1 . HIS 93 93 25933 1 . ASP 94 94 25933 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25933 _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 . _Entity.Nonpolymer_comp_label . _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 25933 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 25933 2 ZN 'Three letter code' 25933 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 25933 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 25933 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25933 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 25933 _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' . . . Escherichia coli . . . . . . pETM11 . . . 25933 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 25933 _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.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 25933 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25933 ZN [Zn++] SMILES CACTVS 3.341 25933 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25933 ZN [Zn+2] SMILES ACDLabs 10.04 25933 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25933 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25933 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 25933 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25933 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 . 25933 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25933 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 'natural abundance' . . 1 $entity_1 . . 0.3 . . mM . . . . 25933 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25933 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25933 1 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25933 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 25933 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25933 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25933 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25933 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 25933 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25933 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25933 3 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25933 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 'natural abundance' . . 1 $entity_1 . . 0.3 . . mM . . . . 25933 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25933 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25933 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 25933 5 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25933 5 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 25933 _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' 0.150 . M 25933 1 pH 6.3 . pH 25933 1 pressure 1 . atm 25933 1 temperature 295 . K 25933 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25933 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25933 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25933 1 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 25933 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25933 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25933 _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 Bruker Avance . 600 . . . 25933 1 2 spectrometer_2 Bruker Avance . 900 . . . 25933 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 25933 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 10 '3D HNCA' no . . . . . . . . . . 2 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 13 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 14 '3D HNCACB' no . . . . . . . . . . 2 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25933 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 25933 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25933 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25933 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25933 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 25933 _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 3 '2D 1H-1H TOCSY' . . . 25933 1 4 '2D 1H-1H TOCSY' . . . 25933 1 7 '3D CBCA(CO)NH' . . . 25933 1 8 '3D C(CO)NH' . . . 25933 1 9 '3D HNCO' . . . 25933 1 10 '3D HNCA' . . . 25933 1 11 '3D H(CCO)NH' . . . 25933 1 12 '3D HCCH-TOCSY' . . . 25933 1 14 '3D HNCACB' . . . 25933 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 1 1 GLY C C 13 170.056 0.000 . 1 . . . A 1 GLY C . 25933 1 2 . 1 1 1 1 GLY CA C 13 43.429 0.000 . 1 . . . A 1 GLY CA . 25933 1 3 . 1 1 2 2 ALA H H 1 8.639 0.003 . 1 . . . A 2 ALA H . 25933 1 4 . 1 1 2 2 ALA HA H 1 4.337 0.011 . 1 . . . A 2 ALA HA . 25933 1 5 . 1 1 2 2 ALA HB1 H 1 1.388 0.005 . 1 . . . A 2 ALA HB1 . 25933 1 6 . 1 1 2 2 ALA HB2 H 1 1.388 0.005 . 1 . . . A 2 ALA HB2 . 25933 1 7 . 1 1 2 2 ALA HB3 H 1 1.388 0.005 . 1 . . . A 2 ALA HB3 . 25933 1 8 . 1 1 2 2 ALA C C 13 177.688 0.000 . 1 . . . A 2 ALA C . 25933 1 9 . 1 1 2 2 ALA CA C 13 52.598 0.030 . 1 . . . A 2 ALA CA . 25933 1 10 . 1 1 2 2 ALA CB C 13 19.375 0.026 . 1 . . . A 2 ALA CB . 25933 1 11 . 1 1 2 2 ALA N N 15 124.503 0.021 . 1 . . . A 2 ALA N . 25933 1 12 . 1 1 3 3 MET H H 1 8.483 0.003 . 1 . . . A 3 MET H . 25933 1 13 . 1 1 3 3 MET HA H 1 4.402 0.025 . 1 . . . A 3 MET HA . 25933 1 14 . 1 1 3 3 MET HB2 H 1 2.019 0.011 . 2 . . . A 3 MET HB2 . 25933 1 15 . 1 1 3 3 MET HB3 H 1 2.032 0.008 . 2 . . . A 3 MET HB3 . 25933 1 16 . 1 1 3 3 MET HG2 H 1 2.537 0.014 . 2 . . . A 3 MET HG2 . 25933 1 17 . 1 1 3 3 MET HG3 H 1 2.516 0.013 . 2 . . . A 3 MET HG3 . 25933 1 18 . 1 1 3 3 MET C C 13 176.072 0.000 . 1 . . . A 3 MET C . 25933 1 19 . 1 1 3 3 MET CA C 13 55.636 0.087 . 1 . . . A 3 MET CA . 25933 1 20 . 1 1 3 3 MET CB C 13 32.936 0.074 . 1 . . . A 3 MET CB . 25933 1 21 . 1 1 3 3 MET CG C 13 32.081 0.055 . 1 . . . A 3 MET CG . 25933 1 22 . 1 1 3 3 MET N N 15 120.183 0.039 . 1 . . . A 3 MET N . 25933 1 23 . 1 1 4 4 GLU H H 1 8.417 0.001 . 1 . . . A 4 GLU H . 25933 1 24 . 1 1 4 4 GLU HA H 1 4.255 0.008 . 1 . . . A 4 GLU HA . 25933 1 25 . 1 1 4 4 GLU HB2 H 1 1.902 0.002 . 2 . . . A 4 GLU HB2 . 25933 1 26 . 1 1 4 4 GLU HB3 H 1 1.992 0.003 . 2 . . . A 4 GLU HB3 . 25933 1 27 . 1 1 4 4 GLU HG2 H 1 2.235 0.025 . 2 . . . A 4 GLU HG2 . 25933 1 28 . 1 1 4 4 GLU HG3 H 1 2.237 0.026 . 2 . . . A 4 GLU HG3 . 25933 1 29 . 1 1 4 4 GLU C C 13 175.719 0.000 . 1 . . . A 4 GLU C . 25933 1 30 . 1 1 4 4 GLU CA C 13 56.516 0.038 . 1 . . . A 4 GLU CA . 25933 1 31 . 1 1 4 4 GLU CB C 13 30.209 0.052 . 1 . . . A 4 GLU CB . 25933 1 32 . 1 1 4 4 GLU CG C 13 36.351 0.069 . 1 . . . A 4 GLU CG . 25933 1 33 . 1 1 4 4 GLU N N 15 123.573 0.004 . 1 . . . A 4 GLU N . 25933 1 34 . 1 1 5 5 ARG H H 1 8.099 0.003 . 1 . . . A 5 ARG H . 25933 1 35 . 1 1 5 5 ARG HA H 1 4.327 0.027 . 1 . . . A 5 ARG HA . 25933 1 36 . 1 1 5 5 ARG HB2 H 1 1.744 0.006 . 2 . . . A 5 ARG HB2 . 25933 1 37 . 1 1 5 5 ARG HB3 H 1 1.746 0.003 . 2 . . . A 5 ARG HB3 . 25933 1 38 . 1 1 5 5 ARG HG2 H 1 1.735 0.008 . 2 . . . A 5 ARG HG2 . 25933 1 39 . 1 1 5 5 ARG HG3 H 1 1.738 0.012 . 2 . . . A 5 ARG HG3 . 25933 1 40 . 1 1 5 5 ARG HD2 H 1 3.131 0.010 . 1 . . . A 5 ARG HD2 . 25933 1 41 . 1 1 5 5 ARG HD3 H 1 3.131 0.010 . 1 . . . A 5 ARG HD3 . 25933 1 42 . 1 1 5 5 ARG C C 13 175.991 0.000 . 1 . . . A 5 ARG C . 25933 1 43 . 1 1 5 5 ARG CA C 13 55.879 0.086 . 1 . . . A 5 ARG CA . 25933 1 44 . 1 1 5 5 ARG CB C 13 31.336 0.023 . 1 . . . A 5 ARG CB . 25933 1 45 . 1 1 5 5 ARG CG C 13 27.118 0.084 . 1 . . . A 5 ARG CG . 25933 1 46 . 1 1 5 5 ARG CD C 13 43.176 0.033 . 1 . . . A 5 ARG CD . 25933 1 47 . 1 1 5 5 ARG N N 15 121.879 0.065 . 1 . . . A 5 ARG N . 25933 1 48 . 1 1 6 6 GLU H H 1 8.560 0.003 . 1 . . . A 6 GLU H . 25933 1 49 . 1 1 6 6 GLU HA H 1 4.245 0.075 . 1 . . . A 6 GLU HA . 25933 1 50 . 1 1 6 6 GLU HB2 H 1 2.038 0.000 . 2 . . . A 6 GLU HB2 . 25933 1 51 . 1 1 6 6 GLU HB3 H 1 2.131 0.041 . 2 . . . A 6 GLU HB3 . 25933 1 52 . 1 1 6 6 GLU HG2 H 1 2.207 0.031 . 2 . . . A 6 GLU HG2 . 25933 1 53 . 1 1 6 6 GLU HG3 H 1 2.202 0.031 . 2 . . . A 6 GLU HG3 . 25933 1 54 . 1 1 6 6 GLU C C 13 174.941 0.000 . 1 . . . A 6 GLU C . 25933 1 55 . 1 1 6 6 GLU CA C 13 56.775 0.027 . 1 . . . A 6 GLU CA . 25933 1 56 . 1 1 6 6 GLU CB C 13 30.421 0.051 . 1 . . . A 6 GLU CB . 25933 1 57 . 1 1 6 6 GLU CG C 13 37.236 0.090 . 1 . . . A 6 GLU CG . 25933 1 58 . 1 1 6 6 GLU N N 15 124.508 0.025 . 1 . . . A 6 GLU N . 25933 1 59 . 1 1 7 7 ASP H H 1 8.237 0.004 . 1 . . . A 7 ASP H . 25933 1 60 . 1 1 7 7 ASP HA H 1 4.520 0.005 . 1 . . . A 7 ASP HA . 25933 1 61 . 1 1 7 7 ASP HB2 H 1 2.565 0.004 . 1 . . . A 7 ASP HB2 . 25933 1 62 . 1 1 7 7 ASP HB3 H 1 2.565 0.004 . 1 . . . A 7 ASP HB3 . 25933 1 63 . 1 1 7 7 ASP C C 13 174.744 0.000 . 1 . . . A 7 ASP C . 25933 1 64 . 1 1 7 7 ASP CA C 13 53.697 0.003 . 1 . . . A 7 ASP CA . 25933 1 65 . 1 1 7 7 ASP CB C 13 42.222 0.029 . 1 . . . A 7 ASP CB . 25933 1 66 . 1 1 7 7 ASP N N 15 117.067 0.070 . 1 . . . A 7 ASP N . 25933 1 67 . 1 1 8 8 GLU H H 1 7.005 0.004 . 1 . . . A 8 GLU H . 25933 1 68 . 1 1 8 8 GLU HA H 1 4.083 0.013 . 1 . . . A 8 GLU HA . 25933 1 69 . 1 1 8 8 GLU HB2 H 1 1.628 0.014 . 2 . . . A 8 GLU HB2 . 25933 1 70 . 1 1 8 8 GLU HB3 H 1 1.504 0.007 . 2 . . . A 8 GLU HB3 . 25933 1 71 . 1 1 8 8 GLU HG2 H 1 2.027 0.021 . 2 . . . A 8 GLU HG2 . 25933 1 72 . 1 1 8 8 GLU HG3 H 1 2.027 0.020 . 2 . . . A 8 GLU HG3 . 25933 1 73 . 1 1 8 8 GLU C C 13 173.257 0.000 . 1 . . . A 8 GLU C . 25933 1 74 . 1 1 8 8 GLU CA C 13 54.382 0.022 . 1 . . . A 8 GLU CA . 25933 1 75 . 1 1 8 8 GLU CB C 13 32.438 0.190 . 1 . . . A 8 GLU CB . 25933 1 76 . 1 1 8 8 GLU CG C 13 36.158 0.018 . 1 . . . A 8 GLU CG . 25933 1 77 . 1 1 8 8 GLU N N 15 116.268 0.034 . 1 . . . A 8 GLU N . 25933 1 78 . 1 1 9 9 CYS H H 1 8.220 0.002 . 1 . . . A 9 CYS H . 25933 1 79 . 1 1 9 9 CYS HA H 1 4.157 0.011 . 1 . . . A 9 CYS HA . 25933 1 80 . 1 1 9 9 CYS HB2 H 1 3.432 0.008 . 2 . . . A 9 CYS HB2 . 25933 1 81 . 1 1 9 9 CYS HB3 H 1 2.116 0.017 . 2 . . . A 9 CYS HB3 . 25933 1 82 . 1 1 9 9 CYS C C 13 178.384 0.000 . 1 . . . A 9 CYS C . 25933 1 83 . 1 1 9 9 CYS CA C 13 57.640 0.064 . 1 . . . A 9 CYS CA . 25933 1 84 . 1 1 9 9 CYS CB C 13 31.396 0.056 . 1 . . . A 9 CYS CB . 25933 1 85 . 1 1 9 9 CYS N N 15 124.211 0.018 . 1 . . . A 9 CYS N . 25933 1 86 . 1 1 10 10 PHE H H 1 8.765 0.002 . 1 . . . A 10 PHE H . 25933 1 87 . 1 1 10 10 PHE HA H 1 4.695 0.028 . 1 . . . A 10 PHE HA . 25933 1 88 . 1 1 10 10 PHE HB2 H 1 2.465 0.016 . 2 . . . A 10 PHE HB2 . 25933 1 89 . 1 1 10 10 PHE HB3 H 1 3.520 0.025 . 2 . . . A 10 PHE HB3 . 25933 1 90 . 1 1 10 10 PHE HD1 H 1 7.184 0.005 . 3 . . . A 10 PHE HD1 . 25933 1 91 . 1 1 10 10 PHE HD2 H 1 7.184 0.005 . 3 . . . A 10 PHE HD2 . 25933 1 92 . 1 1 10 10 PHE HE1 H 1 6.433 0.003 . 3 . . . A 10 PHE HE1 . 25933 1 93 . 1 1 10 10 PHE HE2 H 1 6.433 0.003 . 3 . . . A 10 PHE HE2 . 25933 1 94 . 1 1 10 10 PHE HZ H 1 5.834 0.002 . 1 . . . A 10 PHE HZ . 25933 1 95 . 1 1 10 10 PHE C C 13 176.194 0.000 . 1 . . . A 10 PHE C . 25933 1 96 . 1 1 10 10 PHE CA C 13 55.935 0.078 . 1 . . . A 10 PHE CA . 25933 1 97 . 1 1 10 10 PHE CB C 13 38.279 0.083 . 1 . . . A 10 PHE CB . 25933 1 98 . 1 1 10 10 PHE CD1 C 13 130.505 0.049 . 3 . . . A 10 PHE CD1 . 25933 1 99 . 1 1 10 10 PHE CD2 C 13 130.505 0.049 . 3 . . . A 10 PHE CD2 . 25933 1 100 . 1 1 10 10 PHE N N 15 131.759 0.025 . 1 . . . A 10 PHE N . 25933 1 101 . 1 1 11 11 SER H H 1 8.686 0.003 . 1 . . . A 11 SER H . 25933 1 102 . 1 1 11 11 SER HA H 1 4.331 0.002 . 1 . . . A 11 SER HA . 25933 1 103 . 1 1 11 11 SER HB2 H 1 4.014 0.046 . 2 . . . A 11 SER HB2 . 25933 1 104 . 1 1 11 11 SER HB3 H 1 4.089 0.046 . 2 . . . A 11 SER HB3 . 25933 1 105 . 1 1 11 11 SER C C 13 175.836 0.000 . 1 . . . A 11 SER C . 25933 1 106 . 1 1 11 11 SER CA C 13 61.956 0.008 . 1 . . . A 11 SER CA . 25933 1 107 . 1 1 11 11 SER CB C 13 63.774 0.086 . 1 . . . A 11 SER CB . 25933 1 108 . 1 1 11 11 SER N N 15 114.027 0.049 . 1 . . . A 11 SER N . 25933 1 109 . 1 1 12 12 CYS H H 1 8.195 0.003 . 1 . . . A 12 CYS H . 25933 1 110 . 1 1 12 12 CYS HA H 1 5.121 0.007 . 1 . . . A 12 CYS HA . 25933 1 111 . 1 1 12 12 CYS HB2 H 1 2.995 0.008 . 2 . . . A 12 CYS HB2 . 25933 1 112 . 1 1 12 12 CYS HB3 H 1 3.346 0.020 . 2 . . . A 12 CYS HB3 . 25933 1 113 . 1 1 12 12 CYS C C 13 176.817 0.000 . 1 . . . A 12 CYS C . 25933 1 114 . 1 1 12 12 CYS CA C 13 58.693 0.027 . 1 . . . A 12 CYS CA . 25933 1 115 . 1 1 12 12 CYS CB C 13 32.837 0.019 . 1 . . . A 12 CYS CB . 25933 1 116 . 1 1 12 12 CYS N N 15 118.224 0.038 . 1 . . . A 12 CYS N . 25933 1 117 . 1 1 13 13 GLY H H 1 8.385 0.003 . 1 . . . A 13 GLY H . 25933 1 118 . 1 1 13 13 GLY HA2 H 1 4.286 0.005 . 2 . . . A 13 GLY HA2 . 25933 1 119 . 1 1 13 13 GLY HA3 H 1 3.816 0.018 . 2 . . . A 13 GLY HA3 . 25933 1 120 . 1 1 13 13 GLY C C 13 173.093 0.000 . 1 . . . A 13 GLY C . 25933 1 121 . 1 1 13 13 GLY CA C 13 46.346 0.056 . 1 . . . A 13 GLY CA . 25933 1 122 . 1 1 13 13 GLY N N 15 114.509 0.020 . 1 . . . A 13 GLY N . 25933 1 123 . 1 1 14 14 ASP H H 1 8.512 0.002 . 1 . . . A 14 ASP H . 25933 1 124 . 1 1 14 14 ASP HA H 1 5.294 0.004 . 1 . . . A 14 ASP HA . 25933 1 125 . 1 1 14 14 ASP HB2 H 1 2.992 0.022 . 2 . . . A 14 ASP HB2 . 25933 1 126 . 1 1 14 14 ASP HB3 H 1 2.948 0.013 . 2 . . . A 14 ASP HB3 . 25933 1 127 . 1 1 14 14 ASP C C 13 176.111 0.000 . 1 . . . A 14 ASP C . 25933 1 128 . 1 1 14 14 ASP CA C 13 53.304 0.139 . 1 . . . A 14 ASP CA . 25933 1 129 . 1 1 14 14 ASP CB C 13 43.175 0.033 . 1 . . . A 14 ASP CB . 25933 1 130 . 1 1 14 14 ASP N N 15 122.123 0.020 . 1 . . . A 14 ASP N . 25933 1 131 . 1 1 15 15 ALA H H 1 8.538 0.002 . 1 . . . A 15 ALA H . 25933 1 132 . 1 1 15 15 ALA HA H 1 4.679 0.009 . 1 . . . A 15 ALA HA . 25933 1 133 . 1 1 15 15 ALA HB1 H 1 1.596 0.011 . 1 . . . A 15 ALA HB1 . 25933 1 134 . 1 1 15 15 ALA HB2 H 1 1.596 0.011 . 1 . . . A 15 ALA HB2 . 25933 1 135 . 1 1 15 15 ALA HB3 H 1 1.596 0.011 . 1 . . . A 15 ALA HB3 . 25933 1 136 . 1 1 15 15 ALA C C 13 177.375 0.000 . 1 . . . A 15 ALA C . 25933 1 137 . 1 1 15 15 ALA CA C 13 51.216 0.118 . 1 . . . A 15 ALA CA . 25933 1 138 . 1 1 15 15 ALA CB C 13 19.842 0.040 . 1 . . . A 15 ALA CB . 25933 1 139 . 1 1 15 15 ALA N N 15 123.765 0.018 . 1 . . . A 15 ALA N . 25933 1 140 . 1 1 16 16 GLY H H 1 8.304 0.003 . 1 . . . A 16 GLY H . 25933 1 141 . 1 1 16 16 GLY HA2 H 1 4.560 0.061 . 2 . . . A 16 GLY HA2 . 25933 1 142 . 1 1 16 16 GLY HA3 H 1 3.782 0.006 . 2 . . . A 16 GLY HA3 . 25933 1 143 . 1 1 16 16 GLY C C 13 172.132 0.000 . 1 . . . A 16 GLY C . 25933 1 144 . 1 1 16 16 GLY CA C 13 45.320 0.043 . 1 . . . A 16 GLY CA . 25933 1 145 . 1 1 16 16 GLY N N 15 108.898 0.023 . 1 . . . A 16 GLY N . 25933 1 146 . 1 1 17 17 GLN H H 1 8.887 0.004 . 1 . . . A 17 GLN H . 25933 1 147 . 1 1 17 17 GLN HA H 1 4.359 0.006 . 1 . . . A 17 GLN HA . 25933 1 148 . 1 1 17 17 GLN HB2 H 1 2.120 0.004 . 2 . . . A 17 GLN HB2 . 25933 1 149 . 1 1 17 17 GLN HB3 H 1 2.119 0.004 . 2 . . . A 17 GLN HB3 . 25933 1 150 . 1 1 17 17 GLN HG2 H 1 2.362 0.012 . 2 . . . A 17 GLN HG2 . 25933 1 151 . 1 1 17 17 GLN HG3 H 1 2.352 0.004 . 2 . . . A 17 GLN HG3 . 25933 1 152 . 1 1 17 17 GLN C C 13 175.263 0.000 . 1 . . . A 17 GLN C . 25933 1 153 . 1 1 17 17 GLN CA C 13 55.779 0.028 . 1 . . . A 17 GLN CA . 25933 1 154 . 1 1 17 17 GLN CB C 13 27.927 0.016 . 1 . . . A 17 GLN CB . 25933 1 155 . 1 1 17 17 GLN CG C 13 33.829 0.015 . 1 . . . A 17 GLN CG . 25933 1 156 . 1 1 17 17 GLN N N 15 125.473 0.040 . 1 . . . A 17 GLN N . 25933 1 157 . 1 1 18 18 LEU H H 1 8.322 0.004 . 1 . . . A 18 LEU H . 25933 1 158 . 1 1 18 18 LEU HA H 1 4.714 0.015 . 1 . . . A 18 LEU HA . 25933 1 159 . 1 1 18 18 LEU HB2 H 1 1.032 0.012 . 2 . . . A 18 LEU HB2 . 25933 1 160 . 1 1 18 18 LEU HB3 H 1 1.501 0.011 . 2 . . . A 18 LEU HB3 . 25933 1 161 . 1 1 18 18 LEU HG H 1 0.486 0.011 . 1 . . . A 18 LEU HG . 25933 1 162 . 1 1 18 18 LEU HD21 H 1 1.245 0.013 . 2 . . . A 18 LEU HD21 . 25933 1 163 . 1 1 18 18 LEU HD22 H 1 1.245 0.013 . 2 . . . A 18 LEU HD22 . 25933 1 164 . 1 1 18 18 LEU HD23 H 1 1.245 0.013 . 2 . . . A 18 LEU HD23 . 25933 1 165 . 1 1 18 18 LEU C C 13 177.078 0.000 . 1 . . . A 18 LEU C . 25933 1 166 . 1 1 18 18 LEU CA C 13 53.755 0.043 . 1 . . . A 18 LEU CA . 25933 1 167 . 1 1 18 18 LEU CB C 13 44.191 0.081 . 1 . . . A 18 LEU CB . 25933 1 168 . 1 1 18 18 LEU CG C 13 26.216 0.031 . 1 . . . A 18 LEU CG . 25933 1 169 . 1 1 18 18 LEU CD1 C 13 22.568 0.041 . 2 . . . A 18 LEU CD1 . 25933 1 170 . 1 1 18 18 LEU CD2 C 13 25.690 0.050 . 2 . . . A 18 LEU CD2 . 25933 1 171 . 1 1 18 18 LEU N N 15 127.246 0.071 . 1 . . . A 18 LEU N . 25933 1 172 . 1 1 19 19 VAL H H 1 9.789 0.005 . 1 . . . A 19 VAL H . 25933 1 173 . 1 1 19 19 VAL HA H 1 4.547 0.007 . 1 . . . A 19 VAL HA . 25933 1 174 . 1 1 19 19 VAL HB H 1 2.056 0.007 . 1 . . . A 19 VAL HB . 25933 1 175 . 1 1 19 19 VAL HG11 H 1 0.787 0.011 . 2 . . . A 19 VAL HG11 . 25933 1 176 . 1 1 19 19 VAL HG12 H 1 0.787 0.011 . 2 . . . A 19 VAL HG12 . 25933 1 177 . 1 1 19 19 VAL HG13 H 1 0.787 0.011 . 2 . . . A 19 VAL HG13 . 25933 1 178 . 1 1 19 19 VAL HG21 H 1 0.793 0.013 . 2 . . . A 19 VAL HG21 . 25933 1 179 . 1 1 19 19 VAL HG22 H 1 0.793 0.013 . 2 . . . A 19 VAL HG22 . 25933 1 180 . 1 1 19 19 VAL HG23 H 1 0.793 0.013 . 2 . . . A 19 VAL HG23 . 25933 1 181 . 1 1 19 19 VAL C C 13 175.238 0.000 . 1 . . . A 19 VAL C . 25933 1 182 . 1 1 19 19 VAL CA C 13 59.975 0.028 . 1 . . . A 19 VAL CA . 25933 1 183 . 1 1 19 19 VAL CB C 13 33.809 0.038 . 1 . . . A 19 VAL CB . 25933 1 184 . 1 1 19 19 VAL CG1 C 13 21.186 0.102 . 2 . . . A 19 VAL CG1 . 25933 1 185 . 1 1 19 19 VAL CG2 C 13 19.712 0.052 . 2 . . . A 19 VAL CG2 . 25933 1 186 . 1 1 19 19 VAL N N 15 121.280 0.033 . 1 . . . A 19 VAL N . 25933 1 187 . 1 1 20 20 SER H H 1 8.638 0.012 . 1 . . . A 20 SER H . 25933 1 188 . 1 1 20 20 SER HA H 1 5.062 0.011 . 1 . . . A 20 SER HA . 25933 1 189 . 1 1 20 20 SER HB2 H 1 3.893 0.022 . 2 . . . A 20 SER HB2 . 25933 1 190 . 1 1 20 20 SER HB3 H 1 3.994 0.024 . 2 . . . A 20 SER HB3 . 25933 1 191 . 1 1 20 20 SER C C 13 174.439 0.000 . 1 . . . A 20 SER C . 25933 1 192 . 1 1 20 20 SER CA C 13 57.132 0.037 . 1 . . . A 20 SER CA . 25933 1 193 . 1 1 20 20 SER CB C 13 64.811 0.019 . 1 . . . A 20 SER CB . 25933 1 194 . 1 1 20 20 SER N N 15 118.562 0.102 . 1 . . . A 20 SER N . 25933 1 195 . 1 1 21 21 CYS H H 1 8.132 0.014 . 1 . . . A 21 CYS H . 25933 1 196 . 1 1 21 21 CYS HA H 1 4.311 0.011 . 1 . . . A 21 CYS HA . 25933 1 197 . 1 1 21 21 CYS HB2 H 1 2.733 0.019 . 2 . . . A 21 CYS HB2 . 25933 1 198 . 1 1 21 21 CYS HB3 H 1 3.120 0.019 . 2 . . . A 21 CYS HB3 . 25933 1 199 . 1 1 21 21 CYS CA C 13 61.656 0.024 . 1 . . . A 21 CYS CA . 25933 1 200 . 1 1 21 21 CYS CB C 13 31.029 0.065 . 1 . . . A 21 CYS CB . 25933 1 201 . 1 1 21 21 CYS N N 15 125.432 0.017 . 1 . . . A 21 CYS N . 25933 1 202 . 1 1 22 22 LYS H H 1 8.294 0.006 . 1 . . . A 22 LYS H . 25933 1 203 . 1 1 22 22 LYS HA H 1 4.648 0.000 . 1 . . . A 22 LYS HA . 25933 1 204 . 1 1 22 22 LYS C C 13 177.460 0.000 . 1 . . . A 22 LYS C . 25933 1 205 . 1 1 22 22 LYS N N 15 125.587 0.027 . 1 . . . A 22 LYS N . 25933 1 206 . 1 1 23 23 LYS H H 1 9.496 0.005 . 1 . . . A 23 LYS H . 25933 1 207 . 1 1 23 23 LYS HA H 1 4.385 0.009 . 1 . . . A 23 LYS HA . 25933 1 208 . 1 1 23 23 LYS HB2 H 1 1.037 0.008 . 1 . . . A 23 LYS HB2 . 25933 1 209 . 1 1 23 23 LYS HB3 H 1 1.036 0.008 . 1 . . . A 23 LYS HB3 . 25933 1 210 . 1 1 23 23 LYS HG2 H 1 1.044 0.009 . 2 . . . A 23 LYS HG2 . 25933 1 211 . 1 1 23 23 LYS HG3 H 1 0.853 0.006 . 2 . . . A 23 LYS HG3 . 25933 1 212 . 1 1 23 23 LYS HD2 H 1 0.854 0.004 . 2 . . . A 23 LYS HD2 . 25933 1 213 . 1 1 23 23 LYS HD3 H 1 0.649 0.002 . 2 . . . A 23 LYS HD3 . 25933 1 214 . 1 1 23 23 LYS HE2 H 1 2.736 0.009 . 2 . . . A 23 LYS HE2 . 25933 1 215 . 1 1 23 23 LYS HE3 H 1 2.736 0.008 . 2 . . . A 23 LYS HE3 . 25933 1 216 . 1 1 23 23 LYS CA C 13 55.222 0.055 . 1 . . . A 23 LYS CA . 25933 1 217 . 1 1 23 23 LYS CB C 13 33.949 0.056 . 1 . . . A 23 LYS CB . 25933 1 218 . 1 1 23 23 LYS CG C 13 24.372 0.056 . 1 . . . A 23 LYS CG . 25933 1 219 . 1 1 23 23 LYS CD C 13 27.854 0.081 . 1 . . . A 23 LYS CD . 25933 1 220 . 1 1 23 23 LYS CE C 13 41.973 0.028 . 1 . . . A 23 LYS CE . 25933 1 221 . 1 1 23 23 LYS N N 15 130.703 0.017 . 1 . . . A 23 LYS N . 25933 1 222 . 1 1 24 24 PRO HA H 1 4.198 0.013 . 1 . . . A 24 PRO HA . 25933 1 223 . 1 1 24 24 PRO HB2 H 1 1.855 0.005 . 2 . . . A 24 PRO HB2 . 25933 1 224 . 1 1 24 24 PRO HB3 H 1 2.262 0.004 . 2 . . . A 24 PRO HB3 . 25933 1 225 . 1 1 24 24 PRO HG2 H 1 2.125 0.004 . 2 . . . A 24 PRO HG2 . 25933 1 226 . 1 1 24 24 PRO HG3 H 1 1.953 0.012 . 2 . . . A 24 PRO HG3 . 25933 1 227 . 1 1 24 24 PRO HD2 H 1 3.503 0.016 . 1 . . . A 24 PRO HD2 . 25933 1 228 . 1 1 24 24 PRO HD3 H 1 3.504 0.015 . 1 . . . A 24 PRO HD3 . 25933 1 229 . 1 1 24 24 PRO C C 13 177.835 0.000 . 1 . . . A 24 PRO C . 25933 1 230 . 1 1 24 24 PRO CA C 13 64.454 0.034 . 1 . . . A 24 PRO CA . 25933 1 231 . 1 1 24 24 PRO CB C 13 31.420 0.074 . 1 . . . A 24 PRO CB . 25933 1 232 . 1 1 24 24 PRO CG C 13 27.926 0.070 . 1 . . . A 24 PRO CG . 25933 1 233 . 1 1 24 24 PRO CD C 13 51.008 0.034 . 1 . . . A 24 PRO CD . 25933 1 234 . 1 1 25 25 GLY H H 1 8.823 0.002 . 1 . . . A 25 GLY H . 25933 1 235 . 1 1 25 25 GLY HA2 H 1 3.625 0.003 . 2 . . . A 25 GLY HA2 . 25933 1 236 . 1 1 25 25 GLY HA3 H 1 4.194 0.005 . 2 . . . A 25 GLY HA3 . 25933 1 237 . 1 1 25 25 GLY C C 13 173.630 0.000 . 1 . . . A 25 GLY C . 25933 1 238 . 1 1 25 25 GLY CA C 13 45.200 0.049 . 1 . . . A 25 GLY CA . 25933 1 239 . 1 1 25 25 GLY N N 15 114.246 0.045 . 1 . . . A 25 GLY N . 25933 1 240 . 1 1 26 26 CYS H H 1 8.076 0.004 . 1 . . . A 26 CYS H . 25933 1 241 . 1 1 26 26 CYS HA H 1 5.014 0.009 . 1 . . . A 26 CYS HA . 25933 1 242 . 1 1 26 26 CYS HB2 H 1 2.661 0.013 . 2 . . . A 26 CYS HB2 . 25933 1 243 . 1 1 26 26 CYS HB3 H 1 3.447 0.014 . 2 . . . A 26 CYS HB3 . 25933 1 244 . 1 1 26 26 CYS CA C 13 56.747 0.069 . 1 . . . A 26 CYS CA . 25933 1 245 . 1 1 26 26 CYS CB C 13 32.711 0.063 . 1 . . . A 26 CYS CB . 25933 1 246 . 1 1 26 26 CYS N N 15 126.002 0.017 . 1 . . . A 26 CYS N . 25933 1 247 . 1 1 27 27 PRO HA H 1 4.802 0.003 . 1 . . . A 27 PRO HA . 25933 1 248 . 1 1 27 27 PRO HB2 H 1 1.955 0.009 . 2 . . . A 27 PRO HB2 . 25933 1 249 . 1 1 27 27 PRO HB3 H 1 2.165 0.014 . 2 . . . A 27 PRO HB3 . 25933 1 250 . 1 1 27 27 PRO HG2 H 1 2.164 0.006 . 2 . . . A 27 PRO HG2 . 25933 1 251 . 1 1 27 27 PRO HG3 H 1 1.447 0.011 . 2 . . . A 27 PRO HG3 . 25933 1 252 . 1 1 27 27 PRO HD2 H 1 3.518 0.004 . 2 . . . A 27 PRO HD2 . 25933 1 253 . 1 1 27 27 PRO HD3 H 1 4.170 0.012 . 2 . . . A 27 PRO HD3 . 25933 1 254 . 1 1 27 27 PRO C C 13 175.970 0.000 . 1 . . . A 27 PRO C . 25933 1 255 . 1 1 27 27 PRO CA C 13 63.334 0.035 . 1 . . . A 27 PRO CA . 25933 1 256 . 1 1 27 27 PRO CB C 13 32.920 0.035 . 1 . . . A 27 PRO CB . 25933 1 257 . 1 1 27 27 PRO CG C 13 26.020 0.072 . 1 . . . A 27 PRO CG . 25933 1 258 . 1 1 27 27 PRO CD C 13 50.997 0.178 . 1 . . . A 27 PRO CD . 25933 1 259 . 1 1 28 28 LYS H H 1 8.353 0.008 . 1 . . . A 28 LYS H . 25933 1 260 . 1 1 28 28 LYS HA H 1 3.889 0.005 . 1 . . . A 28 LYS HA . 25933 1 261 . 1 1 28 28 LYS HB2 H 1 2.209 0.020 . 2 . . . A 28 LYS HB2 . 25933 1 262 . 1 1 28 28 LYS HB3 H 1 1.144 0.034 . 2 . . . A 28 LYS HB3 . 25933 1 263 . 1 1 28 28 LYS HG3 H 1 0.637 0.008 . 2 . . . A 28 LYS HG3 . 25933 1 264 . 1 1 28 28 LYS HD2 H 1 0.164 0.013 . 2 . . . A 28 LYS HD2 . 25933 1 265 . 1 1 28 28 LYS HD3 H 1 1.041 0.012 . 2 . . . A 28 LYS HD3 . 25933 1 266 . 1 1 28 28 LYS HE3 H 1 1.610 0.003 . 2 . . . A 28 LYS HE3 . 25933 1 267 . 1 1 28 28 LYS C C 13 175.961 0.000 . 1 . . . A 28 LYS C . 25933 1 268 . 1 1 28 28 LYS CA C 13 55.327 0.088 . 1 . . . A 28 LYS CA . 25933 1 269 . 1 1 28 28 LYS CB C 13 32.132 0.092 . 1 . . . A 28 LYS CB . 25933 1 270 . 1 1 28 28 LYS CG C 13 27.038 0.032 . 1 . . . A 28 LYS CG . 25933 1 271 . 1 1 28 28 LYS CD C 13 24.899 0.069 . 1 . . . A 28 LYS CD . 25933 1 272 . 1 1 28 28 LYS CE C 13 41.817 0.069 . 1 . . . A 28 LYS CE . 25933 1 273 . 1 1 28 28 LYS N N 15 121.413 0.060 . 1 . . . A 28 LYS N . 25933 1 274 . 1 1 29 29 VAL H H 1 8.346 0.007 . 1 . . . A 29 VAL H . 25933 1 275 . 1 1 29 29 VAL HA H 1 5.286 0.004 . 1 . . . A 29 VAL HA . 25933 1 276 . 1 1 29 29 VAL HB H 1 1.797 0.016 . 1 . . . A 29 VAL HB . 25933 1 277 . 1 1 29 29 VAL HG11 H 1 0.784 0.011 . 2 . . . A 29 VAL HG11 . 25933 1 278 . 1 1 29 29 VAL HG12 H 1 0.784 0.011 . 2 . . . A 29 VAL HG12 . 25933 1 279 . 1 1 29 29 VAL HG13 H 1 0.784 0.011 . 2 . . . A 29 VAL HG13 . 25933 1 280 . 1 1 29 29 VAL HG21 H 1 0.363 0.014 . 2 . . . A 29 VAL HG21 . 25933 1 281 . 1 1 29 29 VAL HG22 H 1 0.363 0.014 . 2 . . . A 29 VAL HG22 . 25933 1 282 . 1 1 29 29 VAL HG23 H 1 0.363 0.014 . 2 . . . A 29 VAL HG23 . 25933 1 283 . 1 1 29 29 VAL C C 13 174.480 0.000 . 1 . . . A 29 VAL C . 25933 1 284 . 1 1 29 29 VAL CA C 13 58.616 0.030 . 1 . . . A 29 VAL CA . 25933 1 285 . 1 1 29 29 VAL CB C 13 35.526 0.060 . 1 . . . A 29 VAL CB . 25933 1 286 . 1 1 29 29 VAL CG1 C 13 22.104 0.024 . 2 . . . A 29 VAL CG1 . 25933 1 287 . 1 1 29 29 VAL CG2 C 13 20.471 0.052 . 2 . . . A 29 VAL CG2 . 25933 1 288 . 1 1 29 29 VAL N N 15 115.183 0.055 . 1 . . . A 29 VAL N . 25933 1 289 . 1 1 30 30 TYR H H 1 8.792 0.002 . 1 . . . A 30 TYR H . 25933 1 290 . 1 1 30 30 TYR HA H 1 5.821 0.009 . 1 . . . A 30 TYR HA . 25933 1 291 . 1 1 30 30 TYR HB2 H 1 2.362 0.013 . 2 . . . A 30 TYR HB2 . 25933 1 292 . 1 1 30 30 TYR HB3 H 1 3.122 0.015 . 2 . . . A 30 TYR HB3 . 25933 1 293 . 1 1 30 30 TYR HD1 H 1 7.186 0.013 . 3 . . . A 30 TYR HD1 . 25933 1 294 . 1 1 30 30 TYR HD2 H 1 7.186 0.013 . 3 . . . A 30 TYR HD2 . 25933 1 295 . 1 1 30 30 TYR HE1 H 1 6.836 0.004 . 3 . . . A 30 TYR HE1 . 25933 1 296 . 1 1 30 30 TYR HE2 H 1 6.836 0.004 . 3 . . . A 30 TYR HE2 . 25933 1 297 . 1 1 30 30 TYR C C 13 177.221 0.000 . 1 . . . A 30 TYR C . 25933 1 298 . 1 1 30 30 TYR CA C 13 56.989 0.081 . 1 . . . A 30 TYR CA . 25933 1 299 . 1 1 30 30 TYR CB C 13 45.110 0.032 . 1 . . . A 30 TYR CB . 25933 1 300 . 1 1 30 30 TYR N N 15 114.639 0.023 . 1 . . . A 30 TYR N . 25933 1 301 . 1 1 31 31 HIS H H 1 9.164 0.011 . 1 . . . A 31 HIS H . 25933 1 302 . 1 1 31 31 HIS HA H 1 4.890 0.018 . 1 . . . A 31 HIS HA . 25933 1 303 . 1 1 31 31 HIS HB2 H 1 3.852 0.014 . 2 . . . A 31 HIS HB2 . 25933 1 304 . 1 1 31 31 HIS HB3 H 1 3.625 0.009 . 2 . . . A 31 HIS HB3 . 25933 1 305 . 1 1 31 31 HIS HD2 H 1 7.381 0.009 . 1 . . . A 31 HIS HD2 . 25933 1 306 . 1 1 31 31 HIS HE1 H 1 7.351 0.007 . 1 . . . A 31 HIS HE1 . 25933 1 307 . 1 1 31 31 HIS HE2 H 1 11.309 0.000 . 1 . . . A 31 HIS HE2 . 25933 1 308 . 1 1 31 31 HIS C C 13 177.595 0.000 . 1 . . . A 31 HIS C . 25933 1 309 . 1 1 31 31 HIS CA C 13 58.141 0.079 . 1 . . . A 31 HIS CA . 25933 1 310 . 1 1 31 31 HIS CB C 13 30.737 0.048 . 1 . . . A 31 HIS CB . 25933 1 311 . 1 1 31 31 HIS CD2 C 13 118.944 0.049 . 1 . . . A 31 HIS CD2 . 25933 1 312 . 1 1 31 31 HIS CE1 C 13 139.005 0.129 . 1 . . . A 31 HIS CE1 . 25933 1 313 . 1 1 31 31 HIS N N 15 121.470 0.044 . 1 . . . A 31 HIS N . 25933 1 314 . 1 1 31 31 HIS NE2 N 15 146.932 0.000 . 1 . . . A 31 HIS NE2 . 25933 1 315 . 1 1 32 32 ALA H H 1 9.768 0.014 . 1 . . . A 32 ALA H . 25933 1 316 . 1 1 32 32 ALA HA H 1 3.829 0.007 . 1 . . . A 32 ALA HA . 25933 1 317 . 1 1 32 32 ALA HB1 H 1 1.328 0.007 . 1 . . . A 32 ALA HB1 . 25933 1 318 . 1 1 32 32 ALA HB2 H 1 1.328 0.007 . 1 . . . A 32 ALA HB2 . 25933 1 319 . 1 1 32 32 ALA HB3 H 1 1.328 0.007 . 1 . . . A 32 ALA HB3 . 25933 1 320 . 1 1 32 32 ALA C C 13 180.494 0.000 . 1 . . . A 32 ALA C . 25933 1 321 . 1 1 32 32 ALA CA C 13 56.044 0.026 . 1 . . . A 32 ALA CA . 25933 1 322 . 1 1 32 32 ALA CB C 13 17.179 0.044 . 1 . . . A 32 ALA CB . 25933 1 323 . 1 1 32 32 ALA N N 15 129.786 0.049 . 1 . . . A 32 ALA N . 25933 1 324 . 1 1 33 33 ASP H H 1 8.832 0.004 . 1 . . . A 33 ASP H . 25933 1 325 . 1 1 33 33 ASP HA H 1 4.521 0.005 . 1 . . . A 33 ASP HA . 25933 1 326 . 1 1 33 33 ASP HB2 H 1 2.669 0.016 . 2 . . . A 33 ASP HB2 . 25933 1 327 . 1 1 33 33 ASP HB3 H 1 2.708 0.028 . 2 . . . A 33 ASP HB3 . 25933 1 328 . 1 1 33 33 ASP C C 13 179.006 0.000 . 1 . . . A 33 ASP C . 25933 1 329 . 1 1 33 33 ASP CA C 13 56.541 0.021 . 1 . . . A 33 ASP CA . 25933 1 330 . 1 1 33 33 ASP CB C 13 40.316 0.014 . 1 . . . A 33 ASP CB . 25933 1 331 . 1 1 33 33 ASP N N 15 114.332 0.040 . 1 . . . A 33 ASP N . 25933 1 332 . 1 1 34 34 CYS H H 1 7.364 0.006 . 1 . . . A 34 CYS H . 25933 1 333 . 1 1 34 34 CYS HA H 1 4.224 0.014 . 1 . . . A 34 CYS HA . 25933 1 334 . 1 1 34 34 CYS HB2 H 1 3.330 0.023 . 2 . . . A 34 CYS HB2 . 25933 1 335 . 1 1 34 34 CYS HB3 H 1 3.291 0.020 . 2 . . . A 34 CYS HB3 . 25933 1 336 . 1 1 34 34 CYS C C 13 175.978 0.000 . 1 . . . A 34 CYS C . 25933 1 337 . 1 1 34 34 CYS CA C 13 63.491 0.065 . 1 . . . A 34 CYS CA . 25933 1 338 . 1 1 34 34 CYS CB C 13 28.925 0.024 . 1 . . . A 34 CYS CB . 25933 1 339 . 1 1 34 34 CYS N N 15 119.035 0.025 . 1 . . . A 34 CYS N . 25933 1 340 . 1 1 35 35 LEU H H 1 7.135 0.010 . 1 . . . A 35 LEU H . 25933 1 341 . 1 1 35 35 LEU HA H 1 4.404 0.017 . 1 . . . A 35 LEU HA . 25933 1 342 . 1 1 35 35 LEU HB2 H 1 1.664 0.057 . 2 . . . A 35 LEU HB2 . 25933 1 343 . 1 1 35 35 LEU HB3 H 1 1.579 0.009 . 2 . . . A 35 LEU HB3 . 25933 1 344 . 1 1 35 35 LEU HD11 H 1 0.612 0.016 . 2 . . . A 35 LEU HD11 . 25933 1 345 . 1 1 35 35 LEU HD12 H 1 0.612 0.016 . 2 . . . A 35 LEU HD12 . 25933 1 346 . 1 1 35 35 LEU HD13 H 1 0.612 0.016 . 2 . . . A 35 LEU HD13 . 25933 1 347 . 1 1 35 35 LEU HD21 H 1 0.522 0.022 . 2 . . . A 35 LEU HD21 . 25933 1 348 . 1 1 35 35 LEU HD22 H 1 0.522 0.022 . 2 . . . A 35 LEU HD22 . 25933 1 349 . 1 1 35 35 LEU HD23 H 1 0.522 0.022 . 2 . . . A 35 LEU HD23 . 25933 1 350 . 1 1 35 35 LEU C C 13 176.327 0.000 . 1 . . . A 35 LEU C . 25933 1 351 . 1 1 35 35 LEU CA C 13 53.966 0.031 . 1 . . . A 35 LEU CA . 25933 1 352 . 1 1 35 35 LEU CB C 13 42.982 0.059 . 1 . . . A 35 LEU CB . 25933 1 353 . 1 1 35 35 LEU CD1 C 13 22.311 0.033 . 2 . . . A 35 LEU CD1 . 25933 1 354 . 1 1 35 35 LEU CD2 C 13 26.375 0.045 . 2 . . . A 35 LEU CD2 . 25933 1 355 . 1 1 35 35 LEU N N 15 118.363 0.029 . 1 . . . A 35 LEU N . 25933 1 356 . 1 1 36 36 ASN H H 1 7.974 0.006 . 1 . . . A 36 ASN H . 25933 1 357 . 1 1 36 36 ASN HA H 1 4.461 0.001 . 1 . . . A 36 ASN HA . 25933 1 358 . 1 1 36 36 ASN HB2 H 1 2.787 0.014 . 2 . . . A 36 ASN HB2 . 25933 1 359 . 1 1 36 36 ASN HB3 H 1 2.992 0.003 . 2 . . . A 36 ASN HB3 . 25933 1 360 . 1 1 36 36 ASN C C 13 175.075 0.000 . 1 . . . A 36 ASN C . 25933 1 361 . 1 1 36 36 ASN CA C 13 54.055 0.022 . 1 . . . A 36 ASN CA . 25933 1 362 . 1 1 36 36 ASN CB C 13 37.552 0.035 . 1 . . . A 36 ASN CB . 25933 1 363 . 1 1 36 36 ASN N N 15 116.501 0.022 . 1 . . . A 36 ASN N . 25933 1 364 . 1 1 37 37 LEU H H 1 7.953 0.021 . 1 . . . A 37 LEU H . 25933 1 365 . 1 1 37 37 LEU HA H 1 4.472 0.003 . 1 . . . A 37 LEU HA . 25933 1 366 . 1 1 37 37 LEU HB2 H 1 1.538 0.023 . 1 . . . A 37 LEU HB2 . 25933 1 367 . 1 1 37 37 LEU HB3 H 1 1.537 0.024 . 1 . . . A 37 LEU HB3 . 25933 1 368 . 1 1 37 37 LEU HG H 1 1.579 0.016 . 1 . . . A 37 LEU HG . 25933 1 369 . 1 1 37 37 LEU HD11 H 1 0.788 0.008 . 2 . . . A 37 LEU HD11 . 25933 1 370 . 1 1 37 37 LEU HD12 H 1 0.788 0.008 . 2 . . . A 37 LEU HD12 . 25933 1 371 . 1 1 37 37 LEU HD13 H 1 0.788 0.008 . 2 . . . A 37 LEU HD13 . 25933 1 372 . 1 1 37 37 LEU HD21 H 1 0.598 0.019 . 2 . . . A 37 LEU HD21 . 25933 1 373 . 1 1 37 37 LEU HD22 H 1 0.598 0.019 . 2 . . . A 37 LEU HD22 . 25933 1 374 . 1 1 37 37 LEU HD23 H 1 0.598 0.019 . 2 . . . A 37 LEU HD23 . 25933 1 375 . 1 1 37 37 LEU C C 13 178.114 0.000 . 1 . . . A 37 LEU C . 25933 1 376 . 1 1 37 37 LEU CA C 13 54.421 0.109 . 1 . . . A 37 LEU CA . 25933 1 377 . 1 1 37 37 LEU CB C 13 42.937 0.045 . 1 . . . A 37 LEU CB . 25933 1 378 . 1 1 37 37 LEU CG C 13 26.384 0.067 . 1 . . . A 37 LEU CG . 25933 1 379 . 1 1 37 37 LEU CD1 C 13 22.601 0.012 . 2 . . . A 37 LEU CD1 . 25933 1 380 . 1 1 37 37 LEU CD2 C 13 25.192 0.065 . 2 . . . A 37 LEU CD2 . 25933 1 381 . 1 1 37 37 LEU N N 15 119.139 0.039 . 1 . . . A 37 LEU N . 25933 1 382 . 1 1 38 38 THR H H 1 8.465 0.014 . 1 . . . A 38 THR H . 25933 1 383 . 1 1 38 38 THR HA H 1 4.224 0.031 . 1 . . . A 38 THR HA . 25933 1 384 . 1 1 38 38 THR HB H 1 4.289 0.024 . 1 . . . A 38 THR HB . 25933 1 385 . 1 1 38 38 THR HG21 H 1 1.201 0.003 . 1 . . . A 38 THR HG21 . 25933 1 386 . 1 1 38 38 THR HG22 H 1 1.201 0.003 . 1 . . . A 38 THR HG22 . 25933 1 387 . 1 1 38 38 THR HG23 H 1 1.201 0.003 . 1 . . . A 38 THR HG23 . 25933 1 388 . 1 1 38 38 THR C C 13 174.325 0.000 . 1 . . . A 38 THR C . 25933 1 389 . 1 1 38 38 THR CA C 13 62.608 0.021 . 1 . . . A 38 THR CA . 25933 1 390 . 1 1 38 38 THR CB C 13 69.163 0.014 . 1 . . . A 38 THR CB . 25933 1 391 . 1 1 38 38 THR CG2 C 13 21.786 0.023 . 1 . . . A 38 THR CG2 . 25933 1 392 . 1 1 38 38 THR N N 15 113.698 0.105 . 1 . . . A 38 THR N . 25933 1 393 . 1 1 39 39 LYS H H 1 7.595 0.003 . 1 . . . A 39 LYS H . 25933 1 394 . 1 1 39 39 LYS HA H 1 4.383 0.032 . 1 . . . A 39 LYS HA . 25933 1 395 . 1 1 39 39 LYS HB2 H 1 1.654 0.007 . 2 . . . A 39 LYS HB2 . 25933 1 396 . 1 1 39 39 LYS HB3 H 1 1.821 0.002 . 2 . . . A 39 LYS HB3 . 25933 1 397 . 1 1 39 39 LYS HG2 H 1 1.319 0.006 . 2 . . . A 39 LYS HG2 . 25933 1 398 . 1 1 39 39 LYS HG3 H 1 1.320 0.006 . 2 . . . A 39 LYS HG3 . 25933 1 399 . 1 1 39 39 LYS HD2 H 1 1.652 0.009 . 1 . . . A 39 LYS HD2 . 25933 1 400 . 1 1 39 39 LYS HD3 H 1 1.652 0.009 . 1 . . . A 39 LYS HD3 . 25933 1 401 . 1 1 39 39 LYS HE2 H 1 2.948 0.001 . 1 . . . A 39 LYS HE2 . 25933 1 402 . 1 1 39 39 LYS HE3 H 1 2.948 0.001 . 1 . . . A 39 LYS HE3 . 25933 1 403 . 1 1 39 39 LYS C C 13 175.570 0.000 . 1 . . . A 39 LYS C . 25933 1 404 . 1 1 39 39 LYS CA C 13 54.864 0.033 . 1 . . . A 39 LYS CA . 25933 1 405 . 1 1 39 39 LYS CB C 13 34.079 0.044 . 1 . . . A 39 LYS CB . 25933 1 406 . 1 1 39 39 LYS CG C 13 24.135 0.029 . 1 . . . A 39 LYS CG . 25933 1 407 . 1 1 39 39 LYS CD C 13 29.033 0.086 . 1 . . . A 39 LYS CD . 25933 1 408 . 1 1 39 39 LYS CE C 13 41.994 0.000 . 1 . . . A 39 LYS CE . 25933 1 409 . 1 1 39 39 LYS N N 15 120.070 0.156 . 1 . . . A 39 LYS N . 25933 1 410 . 1 1 40 40 ARG H H 1 8.372 0.001 . 1 . . . A 40 ARG H . 25933 1 411 . 1 1 40 40 ARG HA H 1 4.163 0.004 . 1 . . . A 40 ARG HA . 25933 1 412 . 1 1 40 40 ARG HB2 H 1 1.674 0.003 . 1 . . . A 40 ARG HB2 . 25933 1 413 . 1 1 40 40 ARG HB3 H 1 1.674 0.003 . 1 . . . A 40 ARG HB3 . 25933 1 414 . 1 1 40 40 ARG HG2 H 1 1.574 0.012 . 2 . . . A 40 ARG HG2 . 25933 1 415 . 1 1 40 40 ARG HG3 H 1 1.512 0.010 . 2 . . . A 40 ARG HG3 . 25933 1 416 . 1 1 40 40 ARG HD2 H 1 3.100 0.005 . 1 . . . A 40 ARG HD2 . 25933 1 417 . 1 1 40 40 ARG HD3 H 1 3.100 0.005 . 1 . . . A 40 ARG HD3 . 25933 1 418 . 1 1 40 40 ARG CA C 13 54.474 0.019 . 1 . . . A 40 ARG CA . 25933 1 419 . 1 1 40 40 ARG CB C 13 29.745 0.050 . 1 . . . A 40 ARG CB . 25933 1 420 . 1 1 40 40 ARG CG C 13 27.062 0.107 . 1 . . . A 40 ARG CG . 25933 1 421 . 1 1 40 40 ARG CD C 13 43.240 0.099 . 1 . . . A 40 ARG CD . 25933 1 422 . 1 1 40 40 ARG N N 15 123.383 0.001 . 1 . . . A 40 ARG N . 25933 1 423 . 1 1 41 41 PRO HA H 1 4.081 0.017 . 1 . . . A 41 PRO HA . 25933 1 424 . 1 1 41 41 PRO HB2 H 1 1.518 0.005 . 2 . . . A 41 PRO HB2 . 25933 1 425 . 1 1 41 41 PRO HB3 H 1 1.653 0.007 . 2 . . . A 41 PRO HB3 . 25933 1 426 . 1 1 41 41 PRO HG2 H 1 0.985 0.009 . 2 . . . A 41 PRO HG2 . 25933 1 427 . 1 1 41 41 PRO HG3 H 1 1.244 0.008 . 2 . . . A 41 PRO HG3 . 25933 1 428 . 1 1 41 41 PRO HD2 H 1 3.227 0.013 . 2 . . . A 41 PRO HD2 . 25933 1 429 . 1 1 41 41 PRO HD3 H 1 3.470 0.006 . 2 . . . A 41 PRO HD3 . 25933 1 430 . 1 1 41 41 PRO C C 13 176.215 0.000 . 1 . . . A 41 PRO C . 25933 1 431 . 1 1 41 41 PRO CA C 13 63.151 0.046 . 1 . . . A 41 PRO CA . 25933 1 432 . 1 1 41 41 PRO CB C 13 32.154 0.178 . 1 . . . A 41 PRO CB . 25933 1 433 . 1 1 41 41 PRO CG C 13 26.911 0.076 . 1 . . . A 41 PRO CG . 25933 1 434 . 1 1 41 41 PRO CD C 13 50.313 0.102 . 1 . . . A 41 PRO CD . 25933 1 435 . 1 1 42 42 ALA H H 1 8.368 0.013 . 1 . . . A 42 ALA H . 25933 1 436 . 1 1 42 42 ALA HA H 1 4.447 0.006 . 1 . . . A 42 ALA HA . 25933 1 437 . 1 1 42 42 ALA HB1 H 1 1.432 0.013 . 1 . . . A 42 ALA HB1 . 25933 1 438 . 1 1 42 42 ALA HB2 H 1 1.432 0.013 . 1 . . . A 42 ALA HB2 . 25933 1 439 . 1 1 42 42 ALA HB3 H 1 1.432 0.013 . 1 . . . A 42 ALA HB3 . 25933 1 440 . 1 1 42 42 ALA C C 13 177.947 0.000 . 1 . . . A 42 ALA C . 25933 1 441 . 1 1 42 42 ALA CA C 13 51.741 0.014 . 1 . . . A 42 ALA CA . 25933 1 442 . 1 1 42 42 ALA CB C 13 20.295 0.034 . 1 . . . A 42 ALA CB . 25933 1 443 . 1 1 42 42 ALA N N 15 126.233 0.009 . 1 . . . A 42 ALA N . 25933 1 444 . 1 1 43 43 GLY H H 1 8.499 0.002 . 1 . . . A 43 GLY H . 25933 1 445 . 1 1 43 43 GLY HA2 H 1 3.940 0.013 . 1 . . . A 43 GLY HA2 . 25933 1 446 . 1 1 43 43 GLY HA3 H 1 3.940 0.013 . 1 . . . A 43 GLY HA3 . 25933 1 447 . 1 1 43 43 GLY C C 13 174.630 0.000 . 1 . . . A 43 GLY C . 25933 1 448 . 1 1 43 43 GLY CA C 13 45.871 0.115 . 1 . . . A 43 GLY CA . 25933 1 449 . 1 1 43 43 GLY N N 15 108.071 0.113 . 1 . . . A 43 GLY N . 25933 1 450 . 1 1 44 44 LYS H H 1 8.485 0.000 . 1 . . . A 44 LYS H . 25933 1 451 . 1 1 44 44 LYS HA H 1 4.325 0.011 . 1 . . . A 44 LYS HA . 25933 1 452 . 1 1 44 44 LYS HB2 H 1 1.866 0.003 . 2 . . . A 44 LYS HB2 . 25933 1 453 . 1 1 44 44 LYS HB3 H 1 1.727 0.016 . 2 . . . A 44 LYS HB3 . 25933 1 454 . 1 1 44 44 LYS HG2 H 1 1.437 0.004 . 2 . . . A 44 LYS HG2 . 25933 1 455 . 1 1 44 44 LYS HG3 H 1 1.329 0.003 . 2 . . . A 44 LYS HG3 . 25933 1 456 . 1 1 44 44 LYS HD2 H 1 1.695 0.009 . 2 . . . A 44 LYS HD2 . 25933 1 457 . 1 1 44 44 LYS HD3 H 1 1.696 0.008 . 2 . . . A 44 LYS HD3 . 25933 1 458 . 1 1 44 44 LYS HE2 H 1 2.961 0.010 . 1 . . . A 44 LYS HE2 . 25933 1 459 . 1 1 44 44 LYS HE3 H 1 2.961 0.010 . 1 . . . A 44 LYS HE3 . 25933 1 460 . 1 1 44 44 LYS CA C 13 56.012 0.083 . 1 . . . A 44 LYS CA . 25933 1 461 . 1 1 44 44 LYS CB C 13 31.307 0.063 . 1 . . . A 44 LYS CB . 25933 1 462 . 1 1 44 44 LYS CG C 13 25.051 0.105 . 1 . . . A 44 LYS CG . 25933 1 463 . 1 1 44 44 LYS CD C 13 29.036 0.000 . 1 . . . A 44 LYS CD . 25933 1 464 . 1 1 44 44 LYS N N 15 123.859 0.000 . 1 . . . A 44 LYS N . 25933 1 465 . 1 1 45 45 TRP H H 1 7.419 0.022 . 1 . . . A 45 TRP H . 25933 1 466 . 1 1 45 45 TRP HA H 1 4.317 0.010 . 1 . . . A 45 TRP HA . 25933 1 467 . 1 1 45 45 TRP HB2 H 1 3.144 0.032 . 2 . . . A 45 TRP HB2 . 25933 1 468 . 1 1 45 45 TRP HB3 H 1 3.179 0.016 . 2 . . . A 45 TRP HB3 . 25933 1 469 . 1 1 45 45 TRP HD1 H 1 7.292 0.013 . 1 . . . A 45 TRP HD1 . 25933 1 470 . 1 1 45 45 TRP HE1 H 1 9.975 0.004 . 1 . . . A 45 TRP HE1 . 25933 1 471 . 1 1 45 45 TRP HE3 H 1 7.536 0.006 . 1 . . . A 45 TRP HE3 . 25933 1 472 . 1 1 45 45 TRP HZ2 H 1 7.217 0.006 . 1 . . . A 45 TRP HZ2 . 25933 1 473 . 1 1 45 45 TRP HZ3 H 1 6.719 0.006 . 1 . . . A 45 TRP HZ3 . 25933 1 474 . 1 1 45 45 TRP HH2 H 1 6.576 0.008 . 1 . . . A 45 TRP HH2 . 25933 1 475 . 1 1 45 45 TRP CA C 13 58.972 0.080 . 1 . . . A 45 TRP CA . 25933 1 476 . 1 1 45 45 TRP CB C 13 29.468 0.029 . 1 . . . A 45 TRP CB . 25933 1 477 . 1 1 45 45 TRP CD1 C 13 127.293 0.062 . 1 . . . A 45 TRP CD1 . 25933 1 478 . 1 1 45 45 TRP CE3 C 13 121.278 0.153 . 1 . . . A 45 TRP CE3 . 25933 1 479 . 1 1 45 45 TRP CZ2 C 13 113.881 0.191 . 1 . . . A 45 TRP CZ2 . 25933 1 480 . 1 1 45 45 TRP CZ3 C 13 120.538 0.158 . 1 . . . A 45 TRP CZ3 . 25933 1 481 . 1 1 45 45 TRP CH2 C 13 123.519 0.107 . 1 . . . A 45 TRP CH2 . 25933 1 482 . 1 1 45 45 TRP N N 15 124.364 0.043 . 1 . . . A 45 TRP N . 25933 1 483 . 1 1 45 45 TRP NE1 N 15 130.582 0.038 . 1 . . . A 45 TRP NE1 . 25933 1 484 . 1 1 46 46 GLU H H 1 7.623 0.002 . 1 . . . A 46 GLU H . 25933 1 485 . 1 1 46 46 GLU HA H 1 4.623 0.006 . 1 . . . A 46 GLU HA . 25933 1 486 . 1 1 46 46 GLU CA C 13 53.864 0.000 . 1 . . . A 46 GLU CA . 25933 1 487 . 1 1 46 46 GLU N N 15 124.890 0.058 . 1 . . . A 46 GLU N . 25933 1 488 . 1 1 47 47 CYS H H 1 9.574 0.003 . 1 . . . A 47 CYS H . 25933 1 489 . 1 1 47 47 CYS HA H 1 4.623 0.006 . 1 . . . A 47 CYS HA . 25933 1 490 . 1 1 47 47 CYS HB2 H 1 2.475 0.000 . 2 . . . A 47 CYS HB2 . 25933 1 491 . 1 1 47 47 CYS HB3 H 1 1.733 0.000 . 2 . . . A 47 CYS HB3 . 25933 1 492 . 1 1 47 47 CYS N N 15 130.384 0.060 . 1 . . . A 47 CYS N . 25933 1 493 . 1 1 48 48 PRO HA H 1 4.704 0.005 . 1 . . . A 48 PRO HA . 25933 1 494 . 1 1 48 48 PRO HB2 H 1 2.004 0.008 . 2 . . . A 48 PRO HB2 . 25933 1 495 . 1 1 48 48 PRO HB3 H 1 2.441 0.008 . 2 . . . A 48 PRO HB3 . 25933 1 496 . 1 1 48 48 PRO HG2 H 1 2.016 0.006 . 2 . . . A 48 PRO HG2 . 25933 1 497 . 1 1 48 48 PRO HG3 H 1 1.985 0.038 . 2 . . . A 48 PRO HG3 . 25933 1 498 . 1 1 48 48 PRO HD2 H 1 3.149 0.008 . 2 . . . A 48 PRO HD2 . 25933 1 499 . 1 1 48 48 PRO HD3 H 1 3.516 0.006 . 2 . . . A 48 PRO HD3 . 25933 1 500 . 1 1 48 48 PRO C C 13 177.973 0.000 . 1 . . . A 48 PRO C . 25933 1 501 . 1 1 48 48 PRO CA C 13 64.380 0.022 . 1 . . . A 48 PRO CA . 25933 1 502 . 1 1 48 48 PRO CB C 13 31.545 0.079 . 1 . . . A 48 PRO CB . 25933 1 503 . 1 1 48 48 PRO CG C 13 27.654 0.076 . 1 . . . A 48 PRO CG . 25933 1 504 . 1 1 48 48 PRO CD C 13 50.439 0.056 . 1 . . . A 48 PRO CD . 25933 1 505 . 1 1 49 49 TRP H H 1 8.504 0.007 . 1 . . . A 49 TRP H . 25933 1 506 . 1 1 49 49 TRP HA H 1 5.248 0.004 . 1 . . . A 49 TRP HA . 25933 1 507 . 1 1 49 49 TRP HB2 H 1 2.356 0.011 . 2 . . . A 49 TRP HB2 . 25933 1 508 . 1 1 49 49 TRP HB3 H 1 3.092 0.010 . 2 . . . A 49 TRP HB3 . 25933 1 509 . 1 1 49 49 TRP HD1 H 1 7.585 0.022 . 1 . . . A 49 TRP HD1 . 25933 1 510 . 1 1 49 49 TRP HE1 H 1 11.490 0.003 . 1 . . . A 49 TRP HE1 . 25933 1 511 . 1 1 49 49 TRP HE3 H 1 7.214 0.011 . 1 . . . A 49 TRP HE3 . 25933 1 512 . 1 1 49 49 TRP HZ2 H 1 7.602 0.005 . 1 . . . A 49 TRP HZ2 . 25933 1 513 . 1 1 49 49 TRP HZ3 H 1 6.811 0.017 . 1 . . . A 49 TRP HZ3 . 25933 1 514 . 1 1 49 49 TRP HH2 H 1 6.997 0.003 . 1 . . . A 49 TRP HH2 . 25933 1 515 . 1 1 49 49 TRP C C 13 179.054 0.000 . 1 . . . A 49 TRP C . 25933 1 516 . 1 1 49 49 TRP CA C 13 56.304 0.050 . 1 . . . A 49 TRP CA . 25933 1 517 . 1 1 49 49 TRP CB C 13 31.375 0.067 . 1 . . . A 49 TRP CB . 25933 1 518 . 1 1 49 49 TRP CD1 C 13 124.832 0.125 . 1 . . . A 49 TRP CD1 . 25933 1 519 . 1 1 49 49 TRP CE3 C 13 120.715 0.092 . 1 . . . A 49 TRP CE3 . 25933 1 520 . 1 1 49 49 TRP CZ2 C 13 115.404 0.097 . 1 . . . A 49 TRP CZ2 . 25933 1 521 . 1 1 49 49 TRP CZ3 C 13 121.664 0.384 . 1 . . . A 49 TRP CZ3 . 25933 1 522 . 1 1 49 49 TRP CH2 C 13 124.619 0.081 . 1 . . . A 49 TRP CH2 . 25933 1 523 . 1 1 49 49 TRP N N 15 124.314 0.029 . 1 . . . A 49 TRP N . 25933 1 524 . 1 1 49 49 TRP NE1 N 15 132.183 0.024 . 1 . . . A 49 TRP NE1 . 25933 1 525 . 1 1 50 50 HIS H H 1 7.178 0.004 . 1 . . . A 50 HIS H . 25933 1 526 . 1 1 50 50 HIS HA H 1 4.479 0.010 . 1 . . . A 50 HIS HA . 25933 1 527 . 1 1 50 50 HIS HB2 H 1 3.688 0.016 . 2 . . . A 50 HIS HB2 . 25933 1 528 . 1 1 50 50 HIS HB3 H 1 3.056 0.013 . 2 . . . A 50 HIS HB3 . 25933 1 529 . 1 1 50 50 HIS HD2 H 1 7.883 0.010 . 1 . . . A 50 HIS HD2 . 25933 1 530 . 1 1 50 50 HIS HE1 H 1 8.148 0.003 . 1 . . . A 50 HIS HE1 . 25933 1 531 . 1 1 50 50 HIS C C 13 175.070 0.000 . 1 . . . A 50 HIS C . 25933 1 532 . 1 1 50 50 HIS CA C 13 56.068 0.030 . 1 . . . A 50 HIS CA . 25933 1 533 . 1 1 50 50 HIS CB C 13 28.267 0.076 . 1 . . . A 50 HIS CB . 25933 1 534 . 1 1 50 50 HIS CD2 C 13 132.627 0.060 . 1 . . . A 50 HIS CD2 . 25933 1 535 . 1 1 50 50 HIS CE1 C 13 139.878 0.170 . 1 . . . A 50 HIS CE1 . 25933 1 536 . 1 1 50 50 HIS N N 15 110.531 0.022 . 1 . . . A 50 HIS N . 25933 1 537 . 1 1 51 51 GLN H H 1 7.243 0.003 . 1 . . . A 51 GLN H . 25933 1 538 . 1 1 51 51 GLN HA H 1 4.638 0.020 . 1 . . . A 51 GLN HA . 25933 1 539 . 1 1 51 51 GLN HB2 H 1 1.711 0.013 . 2 . . . A 51 GLN HB2 . 25933 1 540 . 1 1 51 51 GLN HB3 H 1 1.713 0.017 . 2 . . . A 51 GLN HB3 . 25933 1 541 . 1 1 51 51 GLN HG2 H 1 2.382 0.011 . 2 . . . A 51 GLN HG2 . 25933 1 542 . 1 1 51 51 GLN HG3 H 1 2.006 0.009 . 2 . . . A 51 GLN HG3 . 25933 1 543 . 1 1 51 51 GLN HE21 H 1 8.020 0.002 . 1 . . . A 51 GLN HE21 . 25933 1 544 . 1 1 51 51 GLN HE22 H 1 6.350 0.001 . 1 . . . A 51 GLN HE22 . 25933 1 545 . 1 1 51 51 GLN C C 13 172.785 0.000 . 1 . . . A 51 GLN C . 25933 1 546 . 1 1 51 51 GLN CA C 13 54.266 0.031 . 1 . . . A 51 GLN CA . 25933 1 547 . 1 1 51 51 GLN CB C 13 30.779 0.065 . 1 . . . A 51 GLN CB . 25933 1 548 . 1 1 51 51 GLN CG C 13 33.657 0.078 . 1 . . . A 51 GLN CG . 25933 1 549 . 1 1 51 51 GLN N N 15 118.176 0.032 . 1 . . . A 51 GLN N . 25933 1 550 . 1 1 51 51 GLN NE2 N 15 113.391 0.017 . 1 . . . A 51 GLN NE2 . 25933 1 551 . 1 1 52 52 CYS H H 1 9.344 0.004 . 1 . . . A 52 CYS H . 25933 1 552 . 1 1 52 52 CYS HA H 1 4.049 0.010 . 1 . . . A 52 CYS HA . 25933 1 553 . 1 1 52 52 CYS HB2 H 1 3.353 0.017 . 2 . . . A 52 CYS HB2 . 25933 1 554 . 1 1 52 52 CYS HB3 H 1 2.732 0.005 . 2 . . . A 52 CYS HB3 . 25933 1 555 . 1 1 52 52 CYS C C 13 177.807 0.000 . 1 . . . A 52 CYS C . 25933 1 556 . 1 1 52 52 CYS CA C 13 58.257 0.031 . 1 . . . A 52 CYS CA . 25933 1 557 . 1 1 52 52 CYS CB C 13 31.165 0.025 . 1 . . . A 52 CYS CB . 25933 1 558 . 1 1 52 52 CYS N N 15 123.532 0.011 . 1 . . . A 52 CYS N . 25933 1 559 . 1 1 53 53 ASP H H 1 9.185 0.010 . 1 . . . A 53 ASP H . 25933 1 560 . 1 1 53 53 ASP HA H 1 4.190 0.010 . 1 . . . A 53 ASP HA . 25933 1 561 . 1 1 53 53 ASP HB2 H 1 2.459 0.008 . 2 . . . A 53 ASP HB2 . 25933 1 562 . 1 1 53 53 ASP HB3 H 1 2.728 0.003 . 2 . . . A 53 ASP HB3 . 25933 1 563 . 1 1 53 53 ASP C C 13 176.732 0.000 . 1 . . . A 53 ASP C . 25933 1 564 . 1 1 53 53 ASP CA C 13 57.384 0.036 . 1 . . . A 53 ASP CA . 25933 1 565 . 1 1 53 53 ASP CB C 13 41.122 0.042 . 1 . . . A 53 ASP CB . 25933 1 566 . 1 1 53 53 ASP N N 15 134.328 0.037 . 1 . . . A 53 ASP N . 25933 1 567 . 1 1 54 54 VAL H H 1 8.796 0.005 . 1 . . . A 54 VAL H . 25933 1 568 . 1 1 54 54 VAL HA H 1 3.877 0.002 . 1 . . . A 54 VAL HA . 25933 1 569 . 1 1 54 54 VAL HB H 1 1.595 0.010 . 1 . . . A 54 VAL HB . 25933 1 570 . 1 1 54 54 VAL HG11 H 1 1.130 0.005 . 2 . . . A 54 VAL HG11 . 25933 1 571 . 1 1 54 54 VAL HG12 H 1 1.130 0.005 . 2 . . . A 54 VAL HG12 . 25933 1 572 . 1 1 54 54 VAL HG13 H 1 1.130 0.005 . 2 . . . A 54 VAL HG13 . 25933 1 573 . 1 1 54 54 VAL HG21 H 1 0.288 0.004 . 2 . . . A 54 VAL HG21 . 25933 1 574 . 1 1 54 54 VAL HG22 H 1 0.288 0.004 . 2 . . . A 54 VAL HG22 . 25933 1 575 . 1 1 54 54 VAL HG23 H 1 0.288 0.004 . 2 . . . A 54 VAL HG23 . 25933 1 576 . 1 1 54 54 VAL C C 13 177.243 0.000 . 1 . . . A 54 VAL C . 25933 1 577 . 1 1 54 54 VAL CA C 13 65.092 0.067 . 1 . . . A 54 VAL CA . 25933 1 578 . 1 1 54 54 VAL CB C 13 33.012 0.037 . 1 . . . A 54 VAL CB . 25933 1 579 . 1 1 54 54 VAL CG1 C 13 21.777 0.055 . 2 . . . A 54 VAL CG1 . 25933 1 580 . 1 1 54 54 VAL CG2 C 13 19.216 0.050 . 2 . . . A 54 VAL CG2 . 25933 1 581 . 1 1 54 54 VAL N N 15 119.653 0.020 . 1 . . . A 54 VAL N . 25933 1 582 . 1 1 55 55 CYS H H 1 7.604 0.006 . 1 . . . A 55 CYS H . 25933 1 583 . 1 1 55 55 CYS HA H 1 5.112 0.005 . 1 . . . A 55 CYS HA . 25933 1 584 . 1 1 55 55 CYS HB2 H 1 2.724 0.004 . 2 . . . A 55 CYS HB2 . 25933 1 585 . 1 1 55 55 CYS HB3 H 1 3.487 0.003 . 2 . . . A 55 CYS HB3 . 25933 1 586 . 1 1 55 55 CYS C C 13 176.818 0.000 . 1 . . . A 55 CYS C . 25933 1 587 . 1 1 55 55 CYS CA C 13 58.337 0.044 . 1 . . . A 55 CYS CA . 25933 1 588 . 1 1 55 55 CYS CB C 13 34.324 0.018 . 1 . . . A 55 CYS CB . 25933 1 589 . 1 1 55 55 CYS N N 15 115.992 0.023 . 1 . . . A 55 CYS N . 25933 1 590 . 1 1 56 56 GLY H H 1 8.548 0.003 . 1 . . . A 56 GLY H . 25933 1 591 . 1 1 56 56 GLY HA2 H 1 4.283 0.012 . 2 . . . A 56 GLY HA2 . 25933 1 592 . 1 1 56 56 GLY HA3 H 1 3.805 0.018 . 2 . . . A 56 GLY HA3 . 25933 1 593 . 1 1 56 56 GLY C C 13 173.824 0.000 . 1 . . . A 56 GLY C . 25933 1 594 . 1 1 56 56 GLY CA C 13 46.409 0.074 . 1 . . . A 56 GLY CA . 25933 1 595 . 1 1 56 56 GLY N N 15 114.227 0.027 . 1 . . . A 56 GLY N . 25933 1 596 . 1 1 57 57 LYS H H 1 8.314 0.008 . 1 . . . A 57 LYS H . 25933 1 597 . 1 1 57 57 LYS HA H 1 4.412 0.011 . 1 . . . A 57 LYS HA . 25933 1 598 . 1 1 57 57 LYS HB2 H 1 1.912 0.003 . 2 . . . A 57 LYS HB2 . 25933 1 599 . 1 1 57 57 LYS HB3 H 1 2.029 0.017 . 2 . . . A 57 LYS HB3 . 25933 1 600 . 1 1 57 57 LYS HG2 H 1 1.581 0.005 . 2 . . . A 57 LYS HG2 . 25933 1 601 . 1 1 57 57 LYS HG3 H 1 1.783 0.000 . 2 . . . A 57 LYS HG3 . 25933 1 602 . 1 1 57 57 LYS HD2 H 1 1.828 0.002 . 1 . . . A 57 LYS HD2 . 25933 1 603 . 1 1 57 57 LYS HD3 H 1 1.828 0.002 . 1 . . . A 57 LYS HD3 . 25933 1 604 . 1 1 57 57 LYS HE2 H 1 3.103 0.002 . 1 . . . A 57 LYS HE2 . 25933 1 605 . 1 1 57 57 LYS HE3 H 1 3.103 0.002 . 1 . . . A 57 LYS HE3 . 25933 1 606 . 1 1 57 57 LYS C C 13 175.055 0.000 . 1 . . . A 57 LYS C . 25933 1 607 . 1 1 57 57 LYS CA C 13 56.717 0.012 . 1 . . . A 57 LYS CA . 25933 1 608 . 1 1 57 57 LYS CB C 13 33.143 0.122 . 1 . . . A 57 LYS CB . 25933 1 609 . 1 1 57 57 LYS CG C 13 26.421 0.073 . 1 . . . A 57 LYS CG . 25933 1 610 . 1 1 57 57 LYS CD C 13 28.869 0.041 . 1 . . . A 57 LYS CD . 25933 1 611 . 1 1 57 57 LYS N N 15 122.126 0.022 . 1 . . . A 57 LYS N . 25933 1 612 . 1 1 58 58 GLU H H 1 8.502 0.003 . 1 . . . A 58 GLU H . 25933 1 613 . 1 1 58 58 GLU HA H 1 4.153 0.007 . 1 . . . A 58 GLU HA . 25933 1 614 . 1 1 58 58 GLU HB2 H 1 2.056 0.002 . 2 . . . A 58 GLU HB2 . 25933 1 615 . 1 1 58 58 GLU HB3 H 1 1.927 0.003 . 2 . . . A 58 GLU HB3 . 25933 1 616 . 1 1 58 58 GLU HG2 H 1 2.406 0.007 . 2 . . . A 58 GLU HG2 . 25933 1 617 . 1 1 58 58 GLU HG3 H 1 2.407 0.007 . 2 . . . A 58 GLU HG3 . 25933 1 618 . 1 1 58 58 GLU C C 13 176.662 0.000 . 1 . . . A 58 GLU C . 25933 1 619 . 1 1 58 58 GLU CA C 13 57.913 0.123 . 1 . . . A 58 GLU CA . 25933 1 620 . 1 1 58 58 GLU CB C 13 29.825 0.050 . 1 . . . A 58 GLU CB . 25933 1 621 . 1 1 58 58 GLU CG C 13 36.078 0.017 . 1 . . . A 58 GLU CG . 25933 1 622 . 1 1 58 58 GLU N N 15 120.782 0.007 . 1 . . . A 58 GLU N . 25933 1 623 . 1 1 59 59 ALA H H 1 7.812 0.006 . 1 . . . A 59 ALA H . 25933 1 624 . 1 1 59 59 ALA HA H 1 3.402 0.009 . 1 . . . A 59 ALA HA . 25933 1 625 . 1 1 59 59 ALA HB1 H 1 0.734 0.012 . 1 . . . A 59 ALA HB1 . 25933 1 626 . 1 1 59 59 ALA HB2 H 1 0.734 0.012 . 1 . . . A 59 ALA HB2 . 25933 1 627 . 1 1 59 59 ALA HB3 H 1 0.734 0.012 . 1 . . . A 59 ALA HB3 . 25933 1 628 . 1 1 59 59 ALA C C 13 175.529 0.000 . 1 . . . A 59 ALA C . 25933 1 629 . 1 1 59 59 ALA CA C 13 52.238 0.030 . 1 . . . A 59 ALA CA . 25933 1 630 . 1 1 59 59 ALA CB C 13 19.006 0.066 . 1 . . . A 59 ALA CB . 25933 1 631 . 1 1 59 59 ALA N N 15 127.052 0.034 . 1 . . . A 59 ALA N . 25933 1 632 . 1 1 60 60 ALA H H 1 8.356 0.005 . 1 . . . A 60 ALA H . 25933 1 633 . 1 1 60 60 ALA HA H 1 4.473 0.003 . 1 . . . A 60 ALA HA . 25933 1 634 . 1 1 60 60 ALA HB1 H 1 1.347 0.006 . 1 . . . A 60 ALA HB1 . 25933 1 635 . 1 1 60 60 ALA HB2 H 1 1.347 0.006 . 1 . . . A 60 ALA HB2 . 25933 1 636 . 1 1 60 60 ALA HB3 H 1 1.347 0.006 . 1 . . . A 60 ALA HB3 . 25933 1 637 . 1 1 60 60 ALA C C 13 176.087 0.000 . 1 . . . A 60 ALA C . 25933 1 638 . 1 1 60 60 ALA CA C 13 51.930 0.036 . 1 . . . A 60 ALA CA . 25933 1 639 . 1 1 60 60 ALA CB C 13 23.146 0.041 . 1 . . . A 60 ALA CB . 25933 1 640 . 1 1 60 60 ALA N N 15 122.703 0.032 . 1 . . . A 60 ALA N . 25933 1 641 . 1 1 61 61 SER H H 1 7.427 0.004 . 1 . . . A 61 SER H . 25933 1 642 . 1 1 61 61 SER HA H 1 4.637 0.002 . 1 . . . A 61 SER HA . 25933 1 643 . 1 1 61 61 SER HB2 H 1 3.714 0.009 . 2 . . . A 61 SER HB2 . 25933 1 644 . 1 1 61 61 SER HB3 H 1 3.047 0.029 . 2 . . . A 61 SER HB3 . 25933 1 645 . 1 1 61 61 SER HG H 1 1.421 0.002 . 1 . . . A 61 SER HG . 25933 1 646 . 1 1 61 61 SER C C 13 171.865 0.000 . 1 . . . A 61 SER C . 25933 1 647 . 1 1 61 61 SER CA C 13 58.060 0.029 . 1 . . . A 61 SER CA . 25933 1 648 . 1 1 61 61 SER CB C 13 66.719 0.103 . 1 . . . A 61 SER CB . 25933 1 649 . 1 1 61 61 SER N N 15 114.279 0.022 . 1 . . . A 61 SER N . 25933 1 650 . 1 1 62 62 PHE H H 1 8.193 0.003 . 1 . . . A 62 PHE H . 25933 1 651 . 1 1 62 62 PHE HA H 1 4.342 0.011 . 1 . . . A 62 PHE HA . 25933 1 652 . 1 1 62 62 PHE HB2 H 1 2.922 0.021 . 2 . . . A 62 PHE HB2 . 25933 1 653 . 1 1 62 62 PHE HB3 H 1 2.445 0.014 . 2 . . . A 62 PHE HB3 . 25933 1 654 . 1 1 62 62 PHE HD1 H 1 6.378 0.010 . 3 . . . A 62 PHE HD1 . 25933 1 655 . 1 1 62 62 PHE HD2 H 1 6.378 0.010 . 3 . . . A 62 PHE HD2 . 25933 1 656 . 1 1 62 62 PHE HE1 H 1 6.835 0.019 . 3 . . . A 62 PHE HE1 . 25933 1 657 . 1 1 62 62 PHE HE2 H 1 6.835 0.019 . 3 . . . A 62 PHE HE2 . 25933 1 658 . 1 1 62 62 PHE HZ H 1 6.840 0.016 . 1 . . . A 62 PHE HZ . 25933 1 659 . 1 1 62 62 PHE C C 13 174.547 0.000 . 1 . . . A 62 PHE C . 25933 1 660 . 1 1 62 62 PHE CA C 13 57.701 0.073 . 1 . . . A 62 PHE CA . 25933 1 661 . 1 1 62 62 PHE CB C 13 41.207 0.081 . 1 . . . A 62 PHE CB . 25933 1 662 . 1 1 62 62 PHE CD1 C 13 132.158 0.137 . 3 . . . A 62 PHE CD1 . 25933 1 663 . 1 1 62 62 PHE CD2 C 13 132.158 0.137 . 3 . . . A 62 PHE CD2 . 25933 1 664 . 1 1 62 62 PHE CE1 C 13 130.913 0.128 . 3 . . . A 62 PHE CE1 . 25933 1 665 . 1 1 62 62 PHE CE2 C 13 130.913 0.128 . 3 . . . A 62 PHE CE2 . 25933 1 666 . 1 1 62 62 PHE CZ C 13 129.494 0.107 . 1 . . . A 62 PHE CZ . 25933 1 667 . 1 1 62 62 PHE N N 15 123.075 0.021 . 1 . . . A 62 PHE N . 25933 1 668 . 1 1 63 63 CYS H H 1 9.106 0.004 . 1 . . . A 63 CYS H . 25933 1 669 . 1 1 63 63 CYS HA H 1 4.297 0.011 . 1 . . . A 63 CYS HA . 25933 1 670 . 1 1 63 63 CYS HB2 H 1 2.800 0.015 . 2 . . . A 63 CYS HB2 . 25933 1 671 . 1 1 63 63 CYS HB3 H 1 2.797 0.015 . 2 . . . A 63 CYS HB3 . 25933 1 672 . 1 1 63 63 CYS C C 13 176.289 0.000 . 1 . . . A 63 CYS C . 25933 1 673 . 1 1 63 63 CYS CA C 13 61.098 0.067 . 1 . . . A 63 CYS CA . 25933 1 674 . 1 1 63 63 CYS CB C 13 29.621 0.038 . 1 . . . A 63 CYS CB . 25933 1 675 . 1 1 63 63 CYS N N 15 126.326 0.028 . 1 . . . A 63 CYS N . 25933 1 676 . 1 1 64 64 GLU H H 1 8.911 0.006 . 1 . . . A 64 GLU H . 25933 1 677 . 1 1 64 64 GLU HA H 1 4.887 0.016 . 1 . . . A 64 GLU HA . 25933 1 678 . 1 1 64 64 GLU HB2 H 1 2.122 0.007 . 2 . . . A 64 GLU HB2 . 25933 1 679 . 1 1 64 64 GLU HB3 H 1 2.120 0.007 . 2 . . . A 64 GLU HB3 . 25933 1 680 . 1 1 64 64 GLU HG2 H 1 2.966 0.009 . 2 . . . A 64 GLU HG2 . 25933 1 681 . 1 1 64 64 GLU HG3 H 1 2.555 0.016 . 2 . . . A 64 GLU HG3 . 25933 1 682 . 1 1 64 64 GLU C C 13 177.682 0.000 . 1 . . . A 64 GLU C . 25933 1 683 . 1 1 64 64 GLU CA C 13 58.619 0.024 . 1 . . . A 64 GLU CA . 25933 1 684 . 1 1 64 64 GLU CB C 13 30.567 0.048 . 1 . . . A 64 GLU CB . 25933 1 685 . 1 1 64 64 GLU CG C 13 38.672 0.073 . 1 . . . A 64 GLU CG . 25933 1 686 . 1 1 64 64 GLU N N 15 124.601 0.050 . 1 . . . A 64 GLU N . 25933 1 687 . 1 1 65 65 MET H H 1 9.972 0.004 . 1 . . . A 65 MET H . 25933 1 688 . 1 1 65 65 MET HA H 1 4.536 0.004 . 1 . . . A 65 MET HA . 25933 1 689 . 1 1 65 65 MET HB2 H 1 1.652 0.008 . 2 . . . A 65 MET HB2 . 25933 1 690 . 1 1 65 65 MET HB3 H 1 1.167 0.007 . 2 . . . A 65 MET HB3 . 25933 1 691 . 1 1 65 65 MET HG2 H 1 2.386 0.004 . 2 . . . A 65 MET HG2 . 25933 1 692 . 1 1 65 65 MET HG3 H 1 2.245 0.011 . 2 . . . A 65 MET HG3 . 25933 1 693 . 1 1 65 65 MET C C 13 173.906 0.000 . 1 . . . A 65 MET C . 25933 1 694 . 1 1 65 65 MET CA C 13 56.157 0.029 . 1 . . . A 65 MET CA . 25933 1 695 . 1 1 65 65 MET CB C 13 33.770 0.106 . 1 . . . A 65 MET CB . 25933 1 696 . 1 1 65 65 MET CG C 13 33.384 0.074 . 1 . . . A 65 MET CG . 25933 1 697 . 1 1 65 65 MET N N 15 121.669 0.034 . 1 . . . A 65 MET N . 25933 1 698 . 1 1 66 66 CYS H H 1 8.286 0.014 . 1 . . . A 66 CYS H . 25933 1 699 . 1 1 66 66 CYS HA H 1 3.424 0.011 . 1 . . . A 66 CYS HA . 25933 1 700 . 1 1 66 66 CYS HB2 H 1 3.097 0.009 . 2 . . . A 66 CYS HB2 . 25933 1 701 . 1 1 66 66 CYS HB3 H 1 2.883 0.014 . 2 . . . A 66 CYS HB3 . 25933 1 702 . 1 1 66 66 CYS CA C 13 57.581 0.030 . 1 . . . A 66 CYS CA . 25933 1 703 . 1 1 66 66 CYS CB C 13 29.900 0.026 . 1 . . . A 66 CYS CB . 25933 1 704 . 1 1 66 66 CYS N N 15 127.827 0.021 . 1 . . . A 66 CYS N . 25933 1 705 . 1 1 67 67 PRO HA H 1 4.660 0.023 . 1 . . . A 67 PRO HA . 25933 1 706 . 1 1 67 67 PRO HB2 H 1 2.384 0.009 . 2 . . . A 67 PRO HB2 . 25933 1 707 . 1 1 67 67 PRO HB3 H 1 2.082 0.002 . 2 . . . A 67 PRO HB3 . 25933 1 708 . 1 1 67 67 PRO HG2 H 1 2.031 0.004 . 2 . . . A 67 PRO HG2 . 25933 1 709 . 1 1 67 67 PRO HG3 H 1 1.864 0.010 . 2 . . . A 67 PRO HG3 . 25933 1 710 . 1 1 67 67 PRO HD2 H 1 2.911 0.013 . 2 . . . A 67 PRO HD2 . 25933 1 711 . 1 1 67 67 PRO HD3 H 1 3.377 0.016 . 2 . . . A 67 PRO HD3 . 25933 1 712 . 1 1 67 67 PRO C C 13 176.387 0.000 . 1 . . . A 67 PRO C . 25933 1 713 . 1 1 67 67 PRO CA C 13 64.462 0.119 . 1 . . . A 67 PRO CA . 25933 1 714 . 1 1 67 67 PRO CB C 13 31.018 0.063 . 1 . . . A 67 PRO CB . 25933 1 715 . 1 1 67 67 PRO CG C 13 27.798 0.039 . 1 . . . A 67 PRO CG . 25933 1 716 . 1 1 67 67 PRO CD C 13 49.768 0.063 . 1 . . . A 67 PRO CD . 25933 1 717 . 1 1 68 68 SER H H 1 8.864 0.003 . 1 . . . A 68 SER H . 25933 1 718 . 1 1 68 68 SER HA H 1 5.148 0.009 . 1 . . . A 68 SER HA . 25933 1 719 . 1 1 68 68 SER HB2 H 1 4.048 0.011 . 2 . . . A 68 SER HB2 . 25933 1 720 . 1 1 68 68 SER HB3 H 1 3.733 0.003 . 2 . . . A 68 SER HB3 . 25933 1 721 . 1 1 68 68 SER HG H 1 4.301 0.000 . 1 . . . A 68 SER HG . 25933 1 722 . 1 1 68 68 SER C C 13 173.421 0.000 . 1 . . . A 68 SER C . 25933 1 723 . 1 1 68 68 SER CA C 13 59.799 0.046 . 1 . . . A 68 SER CA . 25933 1 724 . 1 1 68 68 SER CB C 13 64.047 0.083 . 1 . . . A 68 SER CB . 25933 1 725 . 1 1 68 68 SER N N 15 122.983 0.022 . 1 . . . A 68 SER N . 25933 1 726 . 1 1 69 69 SER H H 1 7.874 0.006 . 1 . . . A 69 SER H . 25933 1 727 . 1 1 69 69 SER HA H 1 4.443 0.020 . 1 . . . A 69 SER HA . 25933 1 728 . 1 1 69 69 SER HB2 H 1 4.304 0.009 . 2 . . . A 69 SER HB2 . 25933 1 729 . 1 1 69 69 SER HB3 H 1 3.255 0.019 . 2 . . . A 69 SER HB3 . 25933 1 730 . 1 1 69 69 SER C C 13 171.436 0.000 . 1 . . . A 69 SER C . 25933 1 731 . 1 1 69 69 SER CA C 13 56.585 0.036 . 1 . . . A 69 SER CA . 25933 1 732 . 1 1 69 69 SER CB C 13 63.959 0.104 . 1 . . . A 69 SER CB . 25933 1 733 . 1 1 69 69 SER N N 15 115.147 0.048 . 1 . . . A 69 SER N . 25933 1 734 . 1 1 70 70 PHE H H 1 8.192 0.004 . 1 . . . A 70 PHE H . 25933 1 735 . 1 1 70 70 PHE HA H 1 6.052 0.004 . 1 . . . A 70 PHE HA . 25933 1 736 . 1 1 70 70 PHE HB2 H 1 3.091 0.007 . 2 . . . A 70 PHE HB2 . 25933 1 737 . 1 1 70 70 PHE HB3 H 1 2.208 0.008 . 2 . . . A 70 PHE HB3 . 25933 1 738 . 1 1 70 70 PHE HD1 H 1 7.435 0.018 . 3 . . . A 70 PHE HD1 . 25933 1 739 . 1 1 70 70 PHE HD2 H 1 7.435 0.018 . 3 . . . A 70 PHE HD2 . 25933 1 740 . 1 1 70 70 PHE HE1 H 1 7.274 0.000 . 3 . . . A 70 PHE HE1 . 25933 1 741 . 1 1 70 70 PHE HE2 H 1 7.274 0.000 . 3 . . . A 70 PHE HE2 . 25933 1 742 . 1 1 70 70 PHE HZ H 1 7.477 0.000 . 1 . . . A 70 PHE HZ . 25933 1 743 . 1 1 70 70 PHE C C 13 176.905 0.000 . 1 . . . A 70 PHE C . 25933 1 744 . 1 1 70 70 PHE CA C 13 57.026 0.028 . 1 . . . A 70 PHE CA . 25933 1 745 . 1 1 70 70 PHE CB C 13 45.774 0.099 . 1 . . . A 70 PHE CB . 25933 1 746 . 1 1 70 70 PHE N N 15 112.477 0.033 . 1 . . . A 70 PHE N . 25933 1 747 . 1 1 71 71 CYS H H 1 9.511 0.007 . 1 . . . A 71 CYS H . 25933 1 748 . 1 1 71 71 CYS HA H 1 4.806 0.014 . 1 . . . A 71 CYS HA . 25933 1 749 . 1 1 71 71 CYS HB2 H 1 2.742 0.009 . 2 . . . A 71 CYS HB2 . 25933 1 750 . 1 1 71 71 CYS HB3 H 1 3.522 0.012 . 2 . . . A 71 CYS HB3 . 25933 1 751 . 1 1 71 71 CYS C C 13 174.332 0.000 . 1 . . . A 71 CYS C . 25933 1 752 . 1 1 71 71 CYS CA C 13 58.618 0.024 . 1 . . . A 71 CYS CA . 25933 1 753 . 1 1 71 71 CYS CB C 13 30.249 0.048 . 1 . . . A 71 CYS CB . 25933 1 754 . 1 1 71 71 CYS N N 15 121.843 0.026 . 1 . . . A 71 CYS N . 25933 1 755 . 1 1 72 72 LYS H H 1 8.804 0.003 . 1 . . . A 72 LYS H . 25933 1 756 . 1 1 72 72 LYS HA H 1 3.679 0.023 . 1 . . . A 72 LYS HA . 25933 1 757 . 1 1 72 72 LYS HB2 H 1 1.781 0.005 . 1 . . . A 72 LYS HB2 . 25933 1 758 . 1 1 72 72 LYS HB3 H 1 1.782 0.005 . 1 . . . A 72 LYS HB3 . 25933 1 759 . 1 1 72 72 LYS HG2 H 1 1.461 0.024 . 2 . . . A 72 LYS HG2 . 25933 1 760 . 1 1 72 72 LYS HG3 H 1 1.185 0.014 . 2 . . . A 72 LYS HG3 . 25933 1 761 . 1 1 72 72 LYS HD2 H 1 1.665 0.009 . 1 . . . A 72 LYS HD2 . 25933 1 762 . 1 1 72 72 LYS HD3 H 1 1.665 0.009 . 1 . . . A 72 LYS HD3 . 25933 1 763 . 1 1 72 72 LYS HE2 H 1 2.931 0.006 . 1 . . . A 72 LYS HE2 . 25933 1 764 . 1 1 72 72 LYS HE3 H 1 2.931 0.006 . 1 . . . A 72 LYS HE3 . 25933 1 765 . 1 1 72 72 LYS C C 13 177.831 0.000 . 1 . . . A 72 LYS C . 25933 1 766 . 1 1 72 72 LYS CA C 13 60.445 0.059 . 1 . . . A 72 LYS CA . 25933 1 767 . 1 1 72 72 LYS CB C 13 32.277 0.013 . 1 . . . A 72 LYS CB . 25933 1 768 . 1 1 72 72 LYS CG C 13 26.223 0.056 . 1 . . . A 72 LYS CG . 25933 1 769 . 1 1 72 72 LYS CD C 13 29.428 0.095 . 1 . . . A 72 LYS CD . 25933 1 770 . 1 1 72 72 LYS CE C 13 41.770 0.039 . 1 . . . A 72 LYS CE . 25933 1 771 . 1 1 72 72 LYS N N 15 118.091 0.015 . 1 . . . A 72 LYS N . 25933 1 772 . 1 1 73 73 GLN H H 1 8.139 0.001 . 1 . . . A 73 GLN H . 25933 1 773 . 1 1 73 73 GLN HA H 1 4.078 0.006 . 1 . . . A 73 GLN HA . 25933 1 774 . 1 1 73 73 GLN HB2 H 1 1.454 0.010 . 2 . . . A 73 GLN HB2 . 25933 1 775 . 1 1 73 73 GLN HB3 H 1 1.658 0.014 . 2 . . . A 73 GLN HB3 . 25933 1 776 . 1 1 73 73 GLN HG2 H 1 2.059 0.011 . 2 . . . A 73 GLN HG2 . 25933 1 777 . 1 1 73 73 GLN HG3 H 1 2.091 0.018 . 2 . . . A 73 GLN HG3 . 25933 1 778 . 1 1 73 73 GLN HE21 H 1 6.857 0.000 . 1 . . . A 73 GLN HE21 . 25933 1 779 . 1 1 73 73 GLN HE22 H 1 7.493 0.001 . 1 . . . A 73 GLN HE22 . 25933 1 780 . 1 1 73 73 GLN C C 13 177.491 0.000 . 1 . . . A 73 GLN C . 25933 1 781 . 1 1 73 73 GLN CA C 13 57.894 0.022 . 1 . . . A 73 GLN CA . 25933 1 782 . 1 1 73 73 GLN CB C 13 28.754 0.024 . 1 . . . A 73 GLN CB . 25933 1 783 . 1 1 73 73 GLN CG C 13 33.808 0.014 . 1 . . . A 73 GLN CG . 25933 1 784 . 1 1 73 73 GLN N N 15 118.381 0.033 . 1 . . . A 73 GLN N . 25933 1 785 . 1 1 73 73 GLN NE2 N 15 112.729 0.014 . 1 . . . A 73 GLN NE2 . 25933 1 786 . 1 1 74 74 HIS H H 1 7.628 0.002 . 1 . . . A 74 HIS H . 25933 1 787 . 1 1 74 74 HIS HA H 1 5.015 0.011 . 1 . . . A 74 HIS HA . 25933 1 788 . 1 1 74 74 HIS HB2 H 1 3.302 0.005 . 2 . . . A 74 HIS HB2 . 25933 1 789 . 1 1 74 74 HIS HB3 H 1 3.673 0.008 . 2 . . . A 74 HIS HB3 . 25933 1 790 . 1 1 74 74 HIS HD2 H 1 7.450 0.003 . 1 . . . A 74 HIS HD2 . 25933 1 791 . 1 1 74 74 HIS HE1 H 1 7.870 0.002 . 1 . . . A 74 HIS HE1 . 25933 1 792 . 1 1 74 74 HIS C C 13 174.206 0.000 . 1 . . . A 74 HIS C . 25933 1 793 . 1 1 74 74 HIS CA C 13 57.692 0.038 . 1 . . . A 74 HIS CA . 25933 1 794 . 1 1 74 74 HIS CB C 13 32.739 0.027 . 1 . . . A 74 HIS CB . 25933 1 795 . 1 1 74 74 HIS CD2 C 13 119.091 0.057 . 1 . . . A 74 HIS CD2 . 25933 1 796 . 1 1 74 74 HIS CE1 C 13 138.671 0.089 . 1 . . . A 74 HIS CE1 . 25933 1 797 . 1 1 74 74 HIS N N 15 117.140 0.030 . 1 . . . A 74 HIS N . 25933 1 798 . 1 1 75 75 ARG H H 1 7.415 0.002 . 1 . . . A 75 ARG H . 25933 1 799 . 1 1 75 75 ARG HA H 1 3.699 0.010 . 1 . . . A 75 ARG HA . 25933 1 800 . 1 1 75 75 ARG HB2 H 1 1.758 0.014 . 2 . . . A 75 ARG HB2 . 25933 1 801 . 1 1 75 75 ARG HB3 H 1 1.754 0.019 . 2 . . . A 75 ARG HB3 . 25933 1 802 . 1 1 75 75 ARG HG2 H 1 1.512 0.009 . 2 . . . A 75 ARG HG2 . 25933 1 803 . 1 1 75 75 ARG HG3 H 1 1.769 0.008 . 2 . . . A 75 ARG HG3 . 25933 1 804 . 1 1 75 75 ARG HD2 H 1 3.097 0.013 . 2 . . . A 75 ARG HD2 . 25933 1 805 . 1 1 75 75 ARG HD3 H 1 2.701 0.013 . 2 . . . A 75 ARG HD3 . 25933 1 806 . 1 1 75 75 ARG C C 13 176.493 0.000 . 1 . . . A 75 ARG C . 25933 1 807 . 1 1 75 75 ARG CA C 13 57.925 0.067 . 1 . . . A 75 ARG CA . 25933 1 808 . 1 1 75 75 ARG CB C 13 30.179 0.023 . 1 . . . A 75 ARG CB . 25933 1 809 . 1 1 75 75 ARG CG C 13 24.882 0.085 . 1 . . . A 75 ARG CG . 25933 1 810 . 1 1 75 75 ARG CD C 13 44.367 0.113 . 1 . . . A 75 ARG CD . 25933 1 811 . 1 1 75 75 ARG N N 15 115.977 0.019 . 1 . . . A 75 ARG N . 25933 1 812 . 1 1 76 76 GLU H H 1 8.094 0.004 . 1 . . . A 76 GLU H . 25933 1 813 . 1 1 76 76 GLU HA H 1 3.955 0.028 . 1 . . . A 76 GLU HA . 25933 1 814 . 1 1 76 76 GLU HB2 H 1 1.966 0.010 . 2 . . . A 76 GLU HB2 . 25933 1 815 . 1 1 76 76 GLU HB3 H 1 1.893 0.019 . 2 . . . A 76 GLU HB3 . 25933 1 816 . 1 1 76 76 GLU HG2 H 1 2.199 0.020 . 2 . . . A 76 GLU HG2 . 25933 1 817 . 1 1 76 76 GLU HG3 H 1 2.197 0.021 . 2 . . . A 76 GLU HG3 . 25933 1 818 . 1 1 76 76 GLU C C 13 177.401 0.000 . 1 . . . A 76 GLU C . 25933 1 819 . 1 1 76 76 GLU CA C 13 58.208 0.061 . 1 . . . A 76 GLU CA . 25933 1 820 . 1 1 76 76 GLU CB C 13 28.668 0.049 . 1 . . . A 76 GLU CB . 25933 1 821 . 1 1 76 76 GLU CG C 13 35.782 0.033 . 1 . . . A 76 GLU CG . 25933 1 822 . 1 1 76 76 GLU N N 15 123.649 0.006 . 1 . . . A 76 GLU N . 25933 1 823 . 1 1 77 77 GLY H H 1 8.831 0.005 . 1 . . . A 77 GLY H . 25933 1 824 . 1 1 77 77 GLY HA2 H 1 3.701 0.004 . 2 . . . A 77 GLY HA2 . 25933 1 825 . 1 1 77 77 GLY HA3 H 1 4.107 0.015 . 2 . . . A 77 GLY HA3 . 25933 1 826 . 1 1 77 77 GLY C C 13 174.193 0.000 . 1 . . . A 77 GLY C . 25933 1 827 . 1 1 77 77 GLY CA C 13 45.502 0.043 . 1 . . . A 77 GLY CA . 25933 1 828 . 1 1 77 77 GLY N N 15 114.787 0.006 . 1 . . . A 77 GLY N . 25933 1 829 . 1 1 78 78 MET H H 1 7.320 0.003 . 1 . . . A 78 MET H . 25933 1 830 . 1 1 78 78 MET HA H 1 4.608 0.007 . 1 . . . A 78 MET HA . 25933 1 831 . 1 1 78 78 MET HB2 H 1 0.950 0.016 . 2 . . . A 78 MET HB2 . 25933 1 832 . 1 1 78 78 MET HB3 H 1 1.052 0.012 . 2 . . . A 78 MET HB3 . 25933 1 833 . 1 1 78 78 MET HG2 H 1 1.880 0.008 . 2 . . . A 78 MET HG2 . 25933 1 834 . 1 1 78 78 MET HG3 H 1 1.879 0.007 . 2 . . . A 78 MET HG3 . 25933 1 835 . 1 1 78 78 MET C C 13 175.808 0.000 . 1 . . . A 78 MET C . 25933 1 836 . 1 1 78 78 MET CA C 13 53.865 0.067 . 1 . . . A 78 MET CA . 25933 1 837 . 1 1 78 78 MET CB C 13 33.146 0.080 . 1 . . . A 78 MET CB . 25933 1 838 . 1 1 78 78 MET CG C 13 32.663 0.089 . 1 . . . A 78 MET CG . 25933 1 839 . 1 1 78 78 MET N N 15 115.494 0.018 . 1 . . . A 78 MET N . 25933 1 840 . 1 1 79 79 LEU H H 1 6.783 0.004 . 1 . . . A 79 LEU H . 25933 1 841 . 1 1 79 79 LEU HA H 1 5.083 0.011 . 1 . . . A 79 LEU HA . 25933 1 842 . 1 1 79 79 LEU HB2 H 1 1.496 0.022 . 2 . . . A 79 LEU HB2 . 25933 1 843 . 1 1 79 79 LEU HB3 H 1 1.129 0.012 . 2 . . . A 79 LEU HB3 . 25933 1 844 . 1 1 79 79 LEU HG H 1 1.443 0.019 . 1 . . . A 79 LEU HG . 25933 1 845 . 1 1 79 79 LEU HD11 H 1 0.885 0.008 . 2 . . . A 79 LEU HD11 . 25933 1 846 . 1 1 79 79 LEU HD12 H 1 0.885 0.008 . 2 . . . A 79 LEU HD12 . 25933 1 847 . 1 1 79 79 LEU HD13 H 1 0.885 0.008 . 2 . . . A 79 LEU HD13 . 25933 1 848 . 1 1 79 79 LEU HD21 H 1 0.809 0.027 . 2 . . . A 79 LEU HD21 . 25933 1 849 . 1 1 79 79 LEU HD22 H 1 0.809 0.027 . 2 . . . A 79 LEU HD22 . 25933 1 850 . 1 1 79 79 LEU HD23 H 1 0.809 0.027 . 2 . . . A 79 LEU HD23 . 25933 1 851 . 1 1 79 79 LEU C C 13 175.580 0.000 . 1 . . . A 79 LEU C . 25933 1 852 . 1 1 79 79 LEU CA C 13 52.710 0.031 . 1 . . . A 79 LEU CA . 25933 1 853 . 1 1 79 79 LEU CB C 13 46.268 0.077 . 1 . . . A 79 LEU CB . 25933 1 854 . 1 1 79 79 LEU CG C 13 26.514 0.038 . 1 . . . A 79 LEU CG . 25933 1 855 . 1 1 79 79 LEU CD1 C 13 23.877 0.053 . 2 . . . A 79 LEU CD1 . 25933 1 856 . 1 1 79 79 LEU CD2 C 13 27.638 0.049 . 2 . . . A 79 LEU CD2 . 25933 1 857 . 1 1 79 79 LEU N N 15 116.112 0.018 . 1 . . . A 79 LEU N . 25933 1 858 . 1 1 80 80 PHE H H 1 9.296 0.008 . 1 . . . A 80 PHE H . 25933 1 859 . 1 1 80 80 PHE HA H 1 4.773 0.006 . 1 . . . A 80 PHE HA . 25933 1 860 . 1 1 80 80 PHE HB2 H 1 3.083 0.008 . 2 . . . A 80 PHE HB2 . 25933 1 861 . 1 1 80 80 PHE HB3 H 1 2.897 0.004 . 2 . . . A 80 PHE HB3 . 25933 1 862 . 1 1 80 80 PHE HD1 H 1 7.114 0.008 . 3 . . . A 80 PHE HD1 . 25933 1 863 . 1 1 80 80 PHE HD2 H 1 7.114 0.008 . 3 . . . A 80 PHE HD2 . 25933 1 864 . 1 1 80 80 PHE HE1 H 1 7.172 0.010 . 3 . . . A 80 PHE HE1 . 25933 1 865 . 1 1 80 80 PHE HE2 H 1 7.172 0.010 . 3 . . . A 80 PHE HE2 . 25933 1 866 . 1 1 80 80 PHE HZ H 1 7.205 0.001 . 1 . . . A 80 PHE HZ . 25933 1 867 . 1 1 80 80 PHE C C 13 174.354 0.000 . 1 . . . A 80 PHE C . 25933 1 868 . 1 1 80 80 PHE CA C 13 56.225 0.030 . 1 . . . A 80 PHE CA . 25933 1 869 . 1 1 80 80 PHE CB C 13 42.377 0.055 . 1 . . . A 80 PHE CB . 25933 1 870 . 1 1 80 80 PHE CD1 C 13 132.434 0.093 . 3 . . . A 80 PHE CD1 . 25933 1 871 . 1 1 80 80 PHE CD2 C 13 132.434 0.093 . 3 . . . A 80 PHE CD2 . 25933 1 872 . 1 1 80 80 PHE CE1 C 13 130.916 0.092 . 3 . . . A 80 PHE CE1 . 25933 1 873 . 1 1 80 80 PHE CE2 C 13 130.916 0.092 . 3 . . . A 80 PHE CE2 . 25933 1 874 . 1 1 80 80 PHE N N 15 121.484 0.025 . 1 . . . A 80 PHE N . 25933 1 875 . 1 1 81 81 ILE H H 1 8.798 0.001 . 1 . . . A 81 ILE H . 25933 1 876 . 1 1 81 81 ILE HA H 1 4.088 0.004 . 1 . . . A 81 ILE HA . 25933 1 877 . 1 1 81 81 ILE HB H 1 1.851 0.003 . 1 . . . A 81 ILE HB . 25933 1 878 . 1 1 81 81 ILE HG12 H 1 1.569 0.002 . 2 . . . A 81 ILE HG12 . 25933 1 879 . 1 1 81 81 ILE HG13 H 1 1.183 0.010 . 2 . . . A 81 ILE HG13 . 25933 1 880 . 1 1 81 81 ILE HG21 H 1 0.835 0.004 . 1 . . . A 81 ILE HG21 . 25933 1 881 . 1 1 81 81 ILE HG22 H 1 0.835 0.004 . 1 . . . A 81 ILE HG22 . 25933 1 882 . 1 1 81 81 ILE HG23 H 1 0.835 0.004 . 1 . . . A 81 ILE HG23 . 25933 1 883 . 1 1 81 81 ILE HD11 H 1 0.843 0.007 . 1 . . . A 81 ILE HD11 . 25933 1 884 . 1 1 81 81 ILE HD12 H 1 0.843 0.007 . 1 . . . A 81 ILE HD12 . 25933 1 885 . 1 1 81 81 ILE HD13 H 1 0.843 0.007 . 1 . . . A 81 ILE HD13 . 25933 1 886 . 1 1 81 81 ILE C C 13 176.829 0.000 . 1 . . . A 81 ILE C . 25933 1 887 . 1 1 81 81 ILE CA C 13 60.636 0.034 . 1 . . . A 81 ILE CA . 25933 1 888 . 1 1 81 81 ILE CB C 13 37.486 0.027 . 1 . . . A 81 ILE CB . 25933 1 889 . 1 1 81 81 ILE CG1 C 13 27.516 0.020 . 1 . . . A 81 ILE CG1 . 25933 1 890 . 1 1 81 81 ILE CG2 C 13 17.208 0.030 . 1 . . . A 81 ILE CG2 . 25933 1 891 . 1 1 81 81 ILE CD1 C 13 12.196 0.059 . 1 . . . A 81 ILE CD1 . 25933 1 892 . 1 1 81 81 ILE N N 15 123.854 0.009 . 1 . . . A 81 ILE N . 25933 1 893 . 1 1 82 82 SER H H 1 8.898 0.016 . 1 . . . A 82 SER H . 25933 1 894 . 1 1 82 82 SER HA H 1 4.530 0.008 . 1 . . . A 82 SER HA . 25933 1 895 . 1 1 82 82 SER HB2 H 1 4.194 0.014 . 2 . . . A 82 SER HB2 . 25933 1 896 . 1 1 82 82 SER HB3 H 1 4.190 0.011 . 2 . . . A 82 SER HB3 . 25933 1 897 . 1 1 82 82 SER C C 13 177.460 0.000 . 1 . . . A 82 SER C . 25933 1 898 . 1 1 82 82 SER CA C 13 58.180 0.058 . 1 . . . A 82 SER CA . 25933 1 899 . 1 1 82 82 SER CB C 13 64.054 0.088 . 1 . . . A 82 SER CB . 25933 1 900 . 1 1 82 82 SER N N 15 124.730 0.025 . 1 . . . A 82 SER N . 25933 1 901 . 1 1 83 83 LYS H H 1 9.269 0.001 . 1 . . . A 83 LYS H . 25933 1 902 . 1 1 83 83 LYS HA H 1 4.198 0.020 . 1 . . . A 83 LYS HA . 25933 1 903 . 1 1 83 83 LYS HB2 H 1 1.885 0.014 . 2 . . . A 83 LYS HB2 . 25933 1 904 . 1 1 83 83 LYS HB3 H 1 1.932 0.026 . 2 . . . A 83 LYS HB3 . 25933 1 905 . 1 1 83 83 LYS HG2 H 1 1.579 0.008 . 2 . . . A 83 LYS HG2 . 25933 1 906 . 1 1 83 83 LYS HG3 H 1 1.581 0.008 . 2 . . . A 83 LYS HG3 . 25933 1 907 . 1 1 83 83 LYS HD2 H 1 1.738 0.002 . 1 . . . A 83 LYS HD2 . 25933 1 908 . 1 1 83 83 LYS HD3 H 1 1.738 0.002 . 1 . . . A 83 LYS HD3 . 25933 1 909 . 1 1 83 83 LYS HE2 H 1 3.048 0.005 . 1 . . . A 83 LYS HE2 . 25933 1 910 . 1 1 83 83 LYS HE3 H 1 3.048 0.005 . 1 . . . A 83 LYS HE3 . 25933 1 911 . 1 1 83 83 LYS C C 13 177.173 0.000 . 1 . . . A 83 LYS C . 25933 1 912 . 1 1 83 83 LYS CA C 13 57.848 0.042 . 1 . . . A 83 LYS CA . 25933 1 913 . 1 1 83 83 LYS CB C 13 32.376 0.072 . 1 . . . A 83 LYS CB . 25933 1 914 . 1 1 83 83 LYS CG C 13 25.160 0.028 . 1 . . . A 83 LYS CG . 25933 1 915 . 1 1 83 83 LYS CD C 13 28.887 0.036 . 1 . . . A 83 LYS CD . 25933 1 916 . 1 1 83 83 LYS CE C 13 41.922 0.088 . 1 . . . A 83 LYS CE . 25933 1 917 . 1 1 83 83 LYS N N 15 129.518 0.021 . 1 . . . A 83 LYS N . 25933 1 918 . 1 1 84 84 LEU H H 1 8.364 0.002 . 1 . . . A 84 LEU H . 25933 1 919 . 1 1 84 84 LEU HA H 1 4.284 0.018 . 1 . . . A 84 LEU HA . 25933 1 920 . 1 1 84 84 LEU HB2 H 1 1.591 0.016 . 2 . . . A 84 LEU HB2 . 25933 1 921 . 1 1 84 84 LEU HB3 H 1 1.649 0.001 . 2 . . . A 84 LEU HB3 . 25933 1 922 . 1 1 84 84 LEU HG H 1 1.587 0.014 . 1 . . . A 84 LEU HG . 25933 1 923 . 1 1 84 84 LEU HD11 H 1 0.927 0.018 . 2 . . . A 84 LEU HD11 . 25933 1 924 . 1 1 84 84 LEU HD12 H 1 0.927 0.018 . 2 . . . A 84 LEU HD12 . 25933 1 925 . 1 1 84 84 LEU HD13 H 1 0.927 0.018 . 2 . . . A 84 LEU HD13 . 25933 1 926 . 1 1 84 84 LEU HD21 H 1 0.898 0.015 . 2 . . . A 84 LEU HD21 . 25933 1 927 . 1 1 84 84 LEU HD22 H 1 0.898 0.015 . 2 . . . A 84 LEU HD22 . 25933 1 928 . 1 1 84 84 LEU HD23 H 1 0.898 0.015 . 2 . . . A 84 LEU HD23 . 25933 1 929 . 1 1 84 84 LEU C C 13 178.443 0.000 . 1 . . . A 84 LEU C . 25933 1 930 . 1 1 84 84 LEU CA C 13 56.827 0.072 . 1 . . . A 84 LEU CA . 25933 1 931 . 1 1 84 84 LEU CB C 13 41.901 0.020 . 1 . . . A 84 LEU CB . 25933 1 932 . 1 1 84 84 LEU CG C 13 27.336 0.046 . 1 . . . A 84 LEU CG . 25933 1 933 . 1 1 84 84 LEU CD1 C 13 24.321 0.000 . 2 . . . A 84 LEU CD1 . 25933 1 934 . 1 1 84 84 LEU CD2 C 13 23.895 0.000 . 2 . . . A 84 LEU CD2 . 25933 1 935 . 1 1 84 84 LEU N N 15 120.539 0.033 . 1 . . . A 84 LEU N . 25933 1 936 . 1 1 85 85 ASP H H 1 7.326 0.004 . 1 . . . A 85 ASP H . 25933 1 937 . 1 1 85 85 ASP HA H 1 4.737 0.021 . 1 . . . A 85 ASP HA . 25933 1 938 . 1 1 85 85 ASP HB2 H 1 3.039 0.004 . 2 . . . A 85 ASP HB2 . 25933 1 939 . 1 1 85 85 ASP HB3 H 1 2.493 0.015 . 2 . . . A 85 ASP HB3 . 25933 1 940 . 1 1 85 85 ASP C C 13 177.413 0.000 . 1 . . . A 85 ASP C . 25933 1 941 . 1 1 85 85 ASP CA C 13 53.056 0.014 . 1 . . . A 85 ASP CA . 25933 1 942 . 1 1 85 85 ASP CB C 13 42.065 0.026 . 1 . . . A 85 ASP CB . 25933 1 943 . 1 1 85 85 ASP N N 15 114.333 0.030 . 1 . . . A 85 ASP N . 25933 1 944 . 1 1 86 86 GLY H H 1 7.901 0.003 . 1 . . . A 86 GLY H . 25933 1 945 . 1 1 86 86 GLY HA2 H 1 3.854 0.003 . 2 . . . A 86 GLY HA2 . 25933 1 946 . 1 1 86 86 GLY HA3 H 1 4.120 0.018 . 2 . . . A 86 GLY HA3 . 25933 1 947 . 1 1 86 86 GLY C C 13 174.036 0.000 . 1 . . . A 86 GLY C . 25933 1 948 . 1 1 86 86 GLY CA C 13 46.037 0.041 . 1 . . . A 86 GLY CA . 25933 1 949 . 1 1 86 86 GLY N N 15 108.607 0.010 . 1 . . . A 86 GLY N . 25933 1 950 . 1 1 87 87 ARG H H 1 7.948 0.002 . 1 . . . A 87 ARG H . 25933 1 951 . 1 1 87 87 ARG HA H 1 4.345 0.002 . 1 . . . A 87 ARG HA . 25933 1 952 . 1 1 87 87 ARG HB2 H 1 1.567 0.026 . 2 . . . A 87 ARG HB2 . 25933 1 953 . 1 1 87 87 ARG HB3 H 1 1.999 0.004 . 2 . . . A 87 ARG HB3 . 25933 1 954 . 1 1 87 87 ARG HG2 H 1 1.625 0.011 . 2 . . . A 87 ARG HG2 . 25933 1 955 . 1 1 87 87 ARG HG3 H 1 1.619 0.010 . 2 . . . A 87 ARG HG3 . 25933 1 956 . 1 1 87 87 ARG HD2 H 1 3.077 0.005 . 2 . . . A 87 ARG HD2 . 25933 1 957 . 1 1 87 87 ARG HD3 H 1 3.225 0.008 . 2 . . . A 87 ARG HD3 . 25933 1 958 . 1 1 87 87 ARG C C 13 175.968 0.000 . 1 . . . A 87 ARG C . 25933 1 959 . 1 1 87 87 ARG CA C 13 56.810 0.036 . 1 . . . A 87 ARG CA . 25933 1 960 . 1 1 87 87 ARG CB C 13 31.934 0.063 . 1 . . . A 87 ARG CB . 25933 1 961 . 1 1 87 87 ARG CG C 13 27.306 0.155 . 1 . . . A 87 ARG CG . 25933 1 962 . 1 1 87 87 ARG CD C 13 44.143 0.067 . 1 . . . A 87 ARG CD . 25933 1 963 . 1 1 87 87 ARG N N 15 120.598 0.024 . 1 . . . A 87 ARG N . 25933 1 964 . 1 1 88 88 LEU H H 1 8.968 0.004 . 1 . . . A 88 LEU H . 25933 1 965 . 1 1 88 88 LEU HA H 1 4.576 0.011 . 1 . . . A 88 LEU HA . 25933 1 966 . 1 1 88 88 LEU HB2 H 1 1.996 0.008 . 2 . . . A 88 LEU HB2 . 25933 1 967 . 1 1 88 88 LEU HB3 H 1 1.705 0.021 . 2 . . . A 88 LEU HB3 . 25933 1 968 . 1 1 88 88 LEU HG H 1 1.604 0.029 . 1 . . . A 88 LEU HG . 25933 1 969 . 1 1 88 88 LEU HD11 H 1 0.932 0.014 . 2 . . . A 88 LEU HD11 . 25933 1 970 . 1 1 88 88 LEU HD12 H 1 0.932 0.014 . 2 . . . A 88 LEU HD12 . 25933 1 971 . 1 1 88 88 LEU HD13 H 1 0.932 0.014 . 2 . . . A 88 LEU HD13 . 25933 1 972 . 1 1 88 88 LEU HD21 H 1 0.841 0.018 . 2 . . . A 88 LEU HD21 . 25933 1 973 . 1 1 88 88 LEU HD22 H 1 0.841 0.018 . 2 . . . A 88 LEU HD22 . 25933 1 974 . 1 1 88 88 LEU HD23 H 1 0.841 0.018 . 2 . . . A 88 LEU HD23 . 25933 1 975 . 1 1 88 88 LEU C C 13 176.060 0.000 . 1 . . . A 88 LEU C . 25933 1 976 . 1 1 88 88 LEU CA C 13 55.558 0.037 . 1 . . . A 88 LEU CA . 25933 1 977 . 1 1 88 88 LEU CB C 13 42.815 0.076 . 1 . . . A 88 LEU CB . 25933 1 978 . 1 1 88 88 LEU CG C 13 27.290 0.080 . 1 . . . A 88 LEU CG . 25933 1 979 . 1 1 88 88 LEU CD1 C 13 25.627 0.101 . 2 . . . A 88 LEU CD1 . 25933 1 980 . 1 1 88 88 LEU CD2 C 13 24.228 0.005 . 2 . . . A 88 LEU CD2 . 25933 1 981 . 1 1 88 88 LEU N N 15 126.752 0.015 . 1 . . . A 88 LEU N . 25933 1 982 . 1 1 89 89 SER H H 1 9.083 0.002 . 1 . . . A 89 SER H . 25933 1 983 . 1 1 89 89 SER HA H 1 6.146 0.004 . 1 . . . A 89 SER HA . 25933 1 984 . 1 1 89 89 SER HB2 H 1 3.608 0.026 . 2 . . . A 89 SER HB2 . 25933 1 985 . 1 1 89 89 SER HB3 H 1 3.698 0.022 . 2 . . . A 89 SER HB3 . 25933 1 986 . 1 1 89 89 SER C C 13 174.338 0.000 . 1 . . . A 89 SER C . 25933 1 987 . 1 1 89 89 SER CA C 13 56.311 0.071 . 1 . . . A 89 SER CA . 25933 1 988 . 1 1 89 89 SER CB C 13 67.072 0.035 . 1 . . . A 89 SER CB . 25933 1 989 . 1 1 89 89 SER N N 15 118.859 0.021 . 1 . . . A 89 SER N . 25933 1 990 . 1 1 90 90 CYS H H 1 10.389 0.008 . 1 . . . A 90 CYS H . 25933 1 991 . 1 1 90 90 CYS HA H 1 5.815 0.011 . 1 . . . A 90 CYS HA . 25933 1 992 . 1 1 90 90 CYS HB2 H 1 3.959 0.009 . 2 . . . A 90 CYS HB2 . 25933 1 993 . 1 1 90 90 CYS HB3 H 1 3.028 0.005 . 2 . . . A 90 CYS HB3 . 25933 1 994 . 1 1 90 90 CYS C C 13 176.386 0.000 . 1 . . . A 90 CYS C . 25933 1 995 . 1 1 90 90 CYS CA C 13 58.908 0.028 . 1 . . . A 90 CYS CA . 25933 1 996 . 1 1 90 90 CYS CB C 13 29.444 0.016 . 1 . . . A 90 CYS CB . 25933 1 997 . 1 1 90 90 CYS N N 15 128.907 0.033 . 1 . . . A 90 CYS N . 25933 1 998 . 1 1 91 91 THR H H 1 8.435 0.002 . 1 . . . A 91 THR H . 25933 1 999 . 1 1 91 91 THR HA H 1 4.398 0.010 . 1 . . . A 91 THR HA . 25933 1 1000 . 1 1 91 91 THR HB H 1 4.613 0.007 . 1 . . . A 91 THR HB . 25933 1 1001 . 1 1 91 91 THR HG21 H 1 1.403 0.010 . 1 . . . A 91 THR HG21 . 25933 1 1002 . 1 1 91 91 THR HG22 H 1 1.403 0.010 . 1 . . . A 91 THR HG22 . 25933 1 1003 . 1 1 91 91 THR HG23 H 1 1.403 0.010 . 1 . . . A 91 THR HG23 . 25933 1 1004 . 1 1 91 91 THR C C 13 175.912 0.000 . 1 . . . A 91 THR C . 25933 1 1005 . 1 1 91 91 THR CA C 13 63.576 0.016 . 1 . . . A 91 THR CA . 25933 1 1006 . 1 1 91 91 THR CB C 13 69.172 0.025 . 1 . . . A 91 THR CB . 25933 1 1007 . 1 1 91 91 THR CG2 C 13 21.583 0.090 . 1 . . . A 91 THR CG2 . 25933 1 1008 . 1 1 91 91 THR N N 15 108.692 0.028 . 1 . . . A 91 THR N . 25933 1 1009 . 1 1 92 92 GLU H H 1 8.626 0.002 . 1 . . . A 92 GLU H . 25933 1 1010 . 1 1 92 92 GLU HA H 1 4.280 0.017 . 1 . . . A 92 GLU HA . 25933 1 1011 . 1 1 92 92 GLU HB2 H 1 1.392 0.010 . 2 . . . A 92 GLU HB2 . 25933 1 1012 . 1 1 92 92 GLU HB3 H 1 1.905 0.005 . 2 . . . A 92 GLU HB3 . 25933 1 1013 . 1 1 92 92 GLU HG2 H 1 2.231 0.021 . 2 . . . A 92 GLU HG2 . 25933 1 1014 . 1 1 92 92 GLU HG3 H 1 2.268 0.022 . 2 . . . A 92 GLU HG3 . 25933 1 1015 . 1 1 92 92 GLU C C 13 175.937 0.000 . 1 . . . A 92 GLU C . 25933 1 1016 . 1 1 92 92 GLU CA C 13 56.582 0.050 . 1 . . . A 92 GLU CA . 25933 1 1017 . 1 1 92 92 GLU CB C 13 28.887 0.012 . 1 . . . A 92 GLU CB . 25933 1 1018 . 1 1 92 92 GLU CG C 13 36.303 0.039 . 1 . . . A 92 GLU CG . 25933 1 1019 . 1 1 92 92 GLU N N 15 123.418 0.033 . 1 . . . A 92 GLU N . 25933 1 1020 . 1 1 93 93 HIS H H 1 7.244 0.006 . 1 . . . A 93 HIS H . 25933 1 1021 . 1 1 93 93 HIS HA H 1 4.789 0.005 . 1 . . . A 93 HIS HA . 25933 1 1022 . 1 1 93 93 HIS HB2 H 1 3.405 0.011 . 2 . . . A 93 HIS HB2 . 25933 1 1023 . 1 1 93 93 HIS HB3 H 1 3.117 0.011 . 2 . . . A 93 HIS HB3 . 25933 1 1024 . 1 1 93 93 HIS HD2 H 1 7.379 0.007 . 1 . . . A 93 HIS HD2 . 25933 1 1025 . 1 1 93 93 HIS HE1 H 1 7.684 0.002 . 1 . . . A 93 HIS HE1 . 25933 1 1026 . 1 1 93 93 HIS C C 13 174.016 0.000 . 1 . . . A 93 HIS C . 25933 1 1027 . 1 1 93 93 HIS CA C 13 54.275 0.023 . 1 . . . A 93 HIS CA . 25933 1 1028 . 1 1 93 93 HIS CB C 13 29.373 0.048 . 1 . . . A 93 HIS CB . 25933 1 1029 . 1 1 93 93 HIS CD2 C 13 130.513 0.086 . 1 . . . A 93 HIS CD2 . 25933 1 1030 . 1 1 93 93 HIS CE1 C 13 138.815 0.097 . 1 . . . A 93 HIS CE1 . 25933 1 1031 . 1 1 93 93 HIS N N 15 117.178 0.019 . 1 . . . A 93 HIS N . 25933 1 1032 . 1 1 94 94 ASP H H 1 7.975 0.002 . 1 . . . A 94 ASP H . 25933 1 1033 . 1 1 94 94 ASP HA H 1 4.438 0.001 . 1 . . . A 94 ASP HA . 25933 1 1034 . 1 1 94 94 ASP HB2 H 1 2.668 0.010 . 2 . . . A 94 ASP HB2 . 25933 1 1035 . 1 1 94 94 ASP HB3 H 1 2.611 0.013 . 2 . . . A 94 ASP HB3 . 25933 1 1036 . 1 1 94 94 ASP CA C 13 56.204 0.022 . 1 . . . A 94 ASP CA . 25933 1 1037 . 1 1 94 94 ASP CB C 13 42.248 0.007 . 1 . . . A 94 ASP CB . 25933 1 1038 . 1 1 94 94 ASP N N 15 127.477 0.013 . 1 . . . A 94 ASP N . 25933 1 stop_ save_