data_50985 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50985 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments of the R957C mutant from Arkadia (RNF111) E3 RING domain in solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-17 _Entry.Accession_date 2021-06-17 _Entry.Last_release_date 2021-06-17 _Entry.Original_release_date 2021-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'R957C mutant of Arkadia RING domain is consisted of 69a.a.:K922-S994 (Uniprot id of Wt domain:Q6ZNA4)' _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 Konstantinos Marousis . D. . . 50985 2 Maria Birkou . . . . 50985 3 Vasilis Raptis . . . . 50985 4 Christos Chasapis . T. . . 50985 5 Vasso Episkopou . . . . 50985 6 Detlef Bentrop . . . . 50985 7 Georgios Spyroulias . A. . . 50985 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Pharmacy Department' . 50985 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50985 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 50985 '15N chemical shifts' 66 50985 '1H chemical shifts' 428 50985 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-03-19 . original BMRB . 50985 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15948 '1H, 13C and 15N Chemical Shift Assignments of the RING funger from the E3 ubiquitin ligase Arkadia (RNF111)' 50985 PDB 2KIZ 'NMR-based insights into the conformational and interaction properties of Arkadia RING-H2 E3 Ub ligase' 50985 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50985 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35281275 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Impact of a Single Nucleotide Polymorphism on the 3D Protein Structure and Ubiquitination Activity of E3 Ubiquitin Ligase Arkadia ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full 'Frontiers in molecular biosciences' _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2296-889X _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 844129 _Citation.Page_last 844129 _Citation.Year 2022 _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 Maria Birkou M. . . . 50985 1 2 Vasilios Raptis V. . . . 50985 1 3 Konstantinos Marousis K. D. . . 50985 1 4 Athanasios Tsevis A. . . . 50985 1 5 Kyriakos Bourikas K. . . . 50985 1 6 Detlef Bentrop D. . . . 50985 1 7 Vasso Episkopou V. . . . 50985 1 8 Georgios Spyroulias G. A. . . 50985 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Arkadia 50985 1 NMR 50985 1 SNPs 50985 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50985 _Assembly.ID 1 _Assembly.Name 'RING finger monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7897 _Assembly.Enzyme_commission_number 'Enzyme class: 6.3.2 by Uniprot' _Assembly.Details Monomer _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 R957C 1 $entity_1 . . yes native no no . . . 50985 1 2 ZN1 2 $entity_ZN . . no native no no . . . 50985 1 3 ZN2 2 $entity_ZN . . no native no no . . . 50985 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 17 17 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 2 'metal coordination' single . 1 . 1 CYS 20 20 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 3 'metal coordination' single . 1 . 1 HIS 40 40 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 4 'metal coordination' single . 1 . 1 CYS 43 43 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 5 'metal coordination' single . 1 . 1 CYS 35 35 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 6 'metal coordination' single . 1 . 1 HIS 37 37 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 7 'metal coordination' single . 1 . 1 CYS 54 54 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 8 'metal coordination' single . 1 . 1 CYS 57 57 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 50985 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2KIZ . . 'solution NMR' . . 'NMR-based insights into the conformational and interaction properties of Arkadia RING-H2 E3 Ub ligase' 50985 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'E3 Ubiquitin Ligase' 50985 1 'TGF-b receptor signaling pathway' 50985 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50985 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKQDGEEGTEEDTEEKCTIC LSILEEGEDVRCLPCMHLFH QVCVDQWLITNKKCPICRVD IEAQLPSES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The first MET is a cloning artifact residue' _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment R957C _Entity.Mutation R957C _Entity.EC_number 'Enzyme class: 6.3.2 by Uniprot' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7897 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q6ZNA4 . RNF111 . . . . . . . . . . . . . . 50985 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E3 Ubiquitin Ligase' 50985 1 'Protein polyubiquitination' 50985 1 'Transforming growth factor beta receptor signaling pathway' 50985 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50985 1 2 . LYS . 50985 1 3 . GLN . 50985 1 4 . ASP . 50985 1 5 . GLY . 50985 1 6 . GLU . 50985 1 7 . GLU . 50985 1 8 . GLY . 50985 1 9 . THR . 50985 1 10 . GLU . 50985 1 11 . GLU . 50985 1 12 . ASP . 50985 1 13 . THR . 50985 1 14 . GLU . 50985 1 15 . GLU . 50985 1 16 . LYS . 50985 1 17 . CYS . 50985 1 18 . THR . 50985 1 19 . ILE . 50985 1 20 . CYS . 50985 1 21 . LEU . 50985 1 22 . SER . 50985 1 23 . ILE . 50985 1 24 . LEU . 50985 1 25 . GLU . 50985 1 26 . GLU . 50985 1 27 . GLY . 50985 1 28 . GLU . 50985 1 29 . ASP . 50985 1 30 . VAL . 50985 1 31 . ARG . 50985 1 32 . CYS . 50985 1 33 . LEU . 50985 1 34 . PRO . 50985 1 35 . CYS . 50985 1 36 . MET . 50985 1 37 . HIS . 50985 1 38 . LEU . 50985 1 39 . PHE . 50985 1 40 . HIS . 50985 1 41 . GLN . 50985 1 42 . VAL . 50985 1 43 . CYS . 50985 1 44 . VAL . 50985 1 45 . ASP . 50985 1 46 . GLN . 50985 1 47 . TRP . 50985 1 48 . LEU . 50985 1 49 . ILE . 50985 1 50 . THR . 50985 1 51 . ASN . 50985 1 52 . LYS . 50985 1 53 . LYS . 50985 1 54 . CYS . 50985 1 55 . PRO . 50985 1 56 . ILE . 50985 1 57 . CYS . 50985 1 58 . ARG . 50985 1 59 . VAL . 50985 1 60 . ASP . 50985 1 61 . ILE . 50985 1 62 . GLU . 50985 1 63 . ALA . 50985 1 64 . GLN . 50985 1 65 . LEU . 50985 1 66 . PRO . 50985 1 67 . SER . 50985 1 68 . GLU . 50985 1 69 . SER . 50985 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50985 1 . LYS 2 2 50985 1 . GLN 3 3 50985 1 . ASP 4 4 50985 1 . GLY 5 5 50985 1 . GLU 6 6 50985 1 . GLU 7 7 50985 1 . GLY 8 8 50985 1 . THR 9 9 50985 1 . GLU 10 10 50985 1 . GLU 11 11 50985 1 . ASP 12 12 50985 1 . THR 13 13 50985 1 . GLU 14 14 50985 1 . GLU 15 15 50985 1 . LYS 16 16 50985 1 . CYS 17 17 50985 1 . THR 18 18 50985 1 . ILE 19 19 50985 1 . CYS 20 20 50985 1 . LEU 21 21 50985 1 . SER 22 22 50985 1 . ILE 23 23 50985 1 . LEU 24 24 50985 1 . GLU 25 25 50985 1 . GLU 26 26 50985 1 . GLY 27 27 50985 1 . GLU 28 28 50985 1 . ASP 29 29 50985 1 . VAL 30 30 50985 1 . ARG 31 31 50985 1 . CYS 32 32 50985 1 . LEU 33 33 50985 1 . PRO 34 34 50985 1 . CYS 35 35 50985 1 . MET 36 36 50985 1 . HIS 37 37 50985 1 . LEU 38 38 50985 1 . PHE 39 39 50985 1 . HIS 40 40 50985 1 . GLN 41 41 50985 1 . VAL 42 42 50985 1 . CYS 43 43 50985 1 . VAL 44 44 50985 1 . ASP 45 45 50985 1 . GLN 46 46 50985 1 . TRP 47 47 50985 1 . LEU 48 48 50985 1 . ILE 49 49 50985 1 . THR 50 50 50985 1 . ASN 51 51 50985 1 . LYS 52 52 50985 1 . LYS 53 53 50985 1 . CYS 54 54 50985 1 . PRO 55 55 50985 1 . ILE 56 56 50985 1 . CYS 57 57 50985 1 . ARG 58 58 50985 1 . VAL 59 59 50985 1 . ASP 60 60 50985 1 . ILE 61 61 50985 1 . GLU 62 62 50985 1 . ALA 63 63 50985 1 . GLN 64 64 50985 1 . LEU 65 65 50985 1 . PRO 66 66 50985 1 . SER 67 67 50985 1 . GLU 68 68 50985 1 . SER 69 69 50985 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50985 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50985 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 50985 2 ZN 'Three letter code' 50985 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 50985 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50985 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RNF111 . 50985 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50985 _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 BL21 . . plasmid . . pGEX . . . 50985 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 50985 _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 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 50985 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50985 ZN [Zn++] SMILES CACTVS 3.341 50985 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50985 ZN [Zn+2] SMILES ACDLabs 10.04 50985 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50985 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50985 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 50985 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50985 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 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50985 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50985 _Sample.ID 1 _Sample.Name '15N Sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 R957C '[U-99% 15N]' . . 1 $entity_1 . . 0.4 0.3 0.5 mM . . . . 50985 1 2 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 50985 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50985 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50985 _Sample.ID 2 _Sample.Name '15N/13C Sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 R957C '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50985 2 2 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 50985 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50985 2 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 50985 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample Conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 50985 1 pressure 1 . atm 50985 1 temperature 298 . K 50985 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50985 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.5.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50985 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50985 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50985 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 3 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 4 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 6 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 7 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 8 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 9 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 10 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 11 '3D HN(CO)CACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50985 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50985 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical Shift reference' _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 . . . . . 50985 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50985 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50985 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50985 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned Chemical Shifts List' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 50985 1 2 '2D 1H-15N HSQC' . . . 50985 1 7 '3D HNCA' . . . 50985 1 8 '3D HNCACB' . . . 50985 1 9 '3D HN(CO)CA' . . . 50985 1 10 '3D HN(CA)CO' . . . 50985 1 11 '3D HN(CO)CACB' . . . 50985 1 12 '3D HBHA(CO)NH' . . . 50985 1 13 '3D 1H-13C NOESY aliphatic' . . . 50985 1 14 '3D 1H-13C NOESY aromatic' . . . 50985 1 15 '3D HCCH-TOCSY' . . . 50985 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50985 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.571 0.020 . 1 . . . . . 1 MET H . 50985 1 2 . 1 . 1 1 1 MET HA H 1 4.402 0.020 . 1 . . . . . 1 MET HA . 50985 1 3 . 1 . 1 1 1 MET HB2 H 1 2.133 0.020 . 1 . . . . . 1 MET HB2 . 50985 1 4 . 1 . 1 1 1 MET HB3 H 1 2.133 0.020 . 1 . . . . . 1 MET HB3 . 50985 1 5 . 1 . 1 1 1 MET HG2 H 1 1.886 0.020 . 1 . . . . . 1 MET HG2 . 50985 1 6 . 1 . 1 1 1 MET HG3 H 1 1.886 0.020 . 1 . . . . . 1 MET HG3 . 50985 1 7 . 1 . 1 1 1 MET CA C 13 55.592 0.3 . 1 . . . . . 1 MET CA . 50985 1 8 . 1 . 1 1 1 MET CB C 13 32.952 0.3 . 1 . . . . . 1 MET CB . 50985 1 9 . 1 . 1 1 1 MET CG C 13 30.684 0.3 . 1 . . . . . 1 MET CG . 50985 1 10 . 1 . 1 1 1 MET N N 15 122.176 0.3 . 1 . . . . . 1 MET N . 50985 1 11 . 1 . 1 2 2 LYS H H 1 8.452 0.020 . 1 . . . . . 2 LYS H . 50985 1 12 . 1 . 1 2 2 LYS HA H 1 4.270 0.020 . 1 . . . . . 2 LYS HA . 50985 1 13 . 1 . 1 2 2 LYS HB2 H 1 1.994 0.020 . 1 . . . . . 2 LYS HB2 . 50985 1 14 . 1 . 1 2 2 LYS HB3 H 1 1.994 0.020 . 1 . . . . . 2 LYS HB3 . 50985 1 15 . 1 . 1 2 2 LYS CA C 13 56.243 0.3 . 1 . . . . . 2 LYS CA . 50985 1 16 . 1 . 1 2 2 LYS CB C 13 33.066 0.3 . 1 . . . . . 2 LYS CB . 50985 1 17 . 1 . 1 2 2 LYS CG C 13 21.317 0.3 . 1 . . . . . 2 LYS CG . 50985 1 18 . 1 . 1 2 2 LYS CD C 13 30.516 0.3 . 1 . . . . . 2 LYS CD . 50985 1 19 . 1 . 1 2 2 LYS N N 15 122.844 0.3 . 1 . . . . . 2 LYS N . 50985 1 20 . 1 . 1 3 3 GLN H H 1 8.617 0.020 . 1 . . . . . 3 GLN H . 50985 1 21 . 1 . 1 3 3 GLN HA H 1 4.293 0.020 . 1 . . . . . 3 GLN HA . 50985 1 22 . 1 . 1 3 3 GLN HB2 H 1 1.922 0.020 . 1 . . . . . 3 GLN HB2 . 50985 1 23 . 1 . 1 3 3 GLN HB3 H 1 1.922 0.020 . 1 . . . . . 3 GLN HB3 . 50985 1 24 . 1 . 1 3 3 GLN HG2 H 1 2.367 0.020 . 1 . . . . . 3 GLN HG2 . 50985 1 25 . 1 . 1 3 3 GLN HG3 H 1 2.367 0.020 . 1 . . . . . 3 GLN HG3 . 50985 1 26 . 1 . 1 3 3 GLN CA C 13 55.449 0.3 . 1 . . . . . 3 GLN CA . 50985 1 27 . 1 . 1 3 3 GLN CB C 13 29.543 0.3 . 1 . . . . . 3 GLN CB . 50985 1 28 . 1 . 1 3 3 GLN CG C 13 33.726 0.3 . 1 . . . . . 3 GLN CG . 50985 1 29 . 1 . 1 3 3 GLN N N 15 122.202 0.3 . 1 . . . . . 3 GLN N . 50985 1 30 . 1 . 1 4 4 ASP H H 1 8.448 0.020 . 1 . . . . . 4 ASP H . 50985 1 31 . 1 . 1 4 4 ASP HA H 1 4.381 0.020 . 1 . . . . . 4 ASP HA . 50985 1 32 . 1 . 1 4 4 ASP HB2 H 1 2.653 0.020 . 1 . . . . . 4 ASP HB2 . 50985 1 33 . 1 . 1 4 4 ASP HB3 H 1 2.653 0.020 . 1 . . . . . 4 ASP HB3 . 50985 1 34 . 1 . 1 4 4 ASP CA C 13 54.941 0.3 . 1 . . . . . 4 ASP CA . 50985 1 35 . 1 . 1 4 4 ASP CB C 13 40.929 0.3 . 1 . . . . . 4 ASP CB . 50985 1 36 . 1 . 1 4 4 ASP N N 15 121.392 0.3 . 1 . . . . . 4 ASP N . 50985 1 37 . 1 . 1 5 5 GLY H H 1 8.390 0.020 . 1 . . . . . 5 GLY H . 50985 1 38 . 1 . 1 5 5 GLY HA2 H 1 4.049 0.020 . 2 . . . . . 5 GLY HA2 . 50985 1 39 . 1 . 1 5 5 GLY HA3 H 1 3.882 0.020 . 2 . . . . . 5 GLY HA3 . 50985 1 40 . 1 . 1 5 5 GLY CA C 13 45.315 0.3 . 1 . . . . . 5 GLY CA . 50985 1 41 . 1 . 1 5 5 GLY N N 15 109.432 0.3 . 1 . . . . . 5 GLY N . 50985 1 42 . 1 . 1 6 6 GLU H H 1 8.622 0.020 . 1 . . . . . 6 GLU H . 50985 1 43 . 1 . 1 6 6 GLU HA H 1 4.256 0.020 . 1 . . . . . 6 GLU HA . 50985 1 44 . 1 . 1 6 6 GLU HB2 H 1 1.908 0.020 . 1 . . . . . 6 GLU HB2 . 50985 1 45 . 1 . 1 6 6 GLU HB3 H 1 1.908 0.020 . 1 . . . . . 6 GLU HB3 . 50985 1 46 . 1 . 1 6 6 GLU CA C 13 57.112 0.3 . 1 . . . . . 6 GLU CA . 50985 1 47 . 1 . 1 6 6 GLU CB C 13 29.816 0.3 . 1 . . . . . 6 GLU CB . 50985 1 48 . 1 . 1 6 6 GLU N N 15 121.783 0.3 . 1 . . . . . 6 GLU N . 50985 1 49 . 1 . 1 7 7 GLU H H 1 8.254 0.020 . 1 . . . . . 7 GLU H . 50985 1 50 . 1 . 1 7 7 GLU HA H 1 4.526 0.020 . 1 . . . . . 7 GLU HA . 50985 1 51 . 1 . 1 7 7 GLU HB2 H 1 2.116 0.020 . 2 . . . . . 7 GLU HB2 . 50985 1 52 . 1 . 1 7 7 GLU HB3 H 1 1.893 0.020 . 2 . . . . . 7 GLU HB3 . 50985 1 53 . 1 . 1 7 7 GLU HG2 H 1 2.264 0.020 . 2 . . . . . 7 GLU HG2 . 50985 1 54 . 1 . 1 7 7 GLU HG3 H 1 2.065 0.020 . 2 . . . . . 7 GLU HG3 . 50985 1 55 . 1 . 1 7 7 GLU CA C 13 56.678 0.3 . 1 . . . . . 7 GLU CA . 50985 1 56 . 1 . 1 7 7 GLU CB C 13 30.293 0.3 . 1 . . . . . 7 GLU CB . 50985 1 57 . 1 . 1 7 7 GLU CG C 13 36.245 0.3 . 1 . . . . . 7 GLU CG . 50985 1 58 . 1 . 1 7 7 GLU N N 15 120.332 0.3 . 1 . . . . . 7 GLU N . 50985 1 59 . 1 . 1 8 8 GLY H H 1 8.517 0.020 . 1 . . . . . 8 GLY H . 50985 1 60 . 1 . 1 8 8 GLY HA2 H 1 3.971 0.020 . 1 . . . . . 8 GLY HA2 . 50985 1 61 . 1 . 1 8 8 GLY HA3 H 1 3.971 0.020 . 1 . . . . . 8 GLY HA3 . 50985 1 62 . 1 . 1 8 8 GLY CA C 13 45.360 0.3 . 1 . . . . . 8 GLY CA . 50985 1 63 . 1 . 1 8 8 GLY N N 15 110.302 0.3 . 1 . . . . . 8 GLY N . 50985 1 64 . 1 . 1 9 9 THR H H 1 8.096 0.020 . 1 . . . . . 9 THR H . 50985 1 65 . 1 . 1 9 9 THR HA H 1 4.228 0.020 . 1 . . . . . 9 THR HA . 50985 1 66 . 1 . 1 9 9 THR HB H 1 4.090 0.020 . 1 . . . . . 9 THR HB . 50985 1 67 . 1 . 1 9 9 THR HG21 H 1 1.152 0.020 . 1 . . . . . 9 THR HG2 . 50985 1 68 . 1 . 1 9 9 THR HG22 H 1 1.152 0.020 . 1 . . . . . 9 THR HG2 . 50985 1 69 . 1 . 1 9 9 THR HG23 H 1 1.152 0.020 . 1 . . . . . 9 THR HG2 . 50985 1 70 . 1 . 1 9 9 THR CA C 13 61.635 0.3 . 1 . . . . . 9 THR CA . 50985 1 71 . 1 . 1 9 9 THR CB C 13 69.699 0.3 . 1 . . . . . 9 THR CB . 50985 1 72 . 1 . 1 9 9 THR CG2 C 13 21.401 0.3 . 1 . . . . . 9 THR CG2 . 50985 1 73 . 1 . 1 9 9 THR N N 15 113.268 0.3 . 1 . . . . . 9 THR N . 50985 1 74 . 1 . 1 10 10 GLU H H 1 8.344 0.020 . 1 . . . . . 10 GLU H . 50985 1 75 . 1 . 1 10 10 GLU HA H 1 4.277 0.020 . 1 . . . . . 10 GLU HA . 50985 1 76 . 1 . 1 10 10 GLU HB2 H 1 1.858 0.020 . 1 . . . . . 10 GLU HB2 . 50985 1 77 . 1 . 1 10 10 GLU HB3 H 1 1.858 0.020 . 1 . . . . . 10 GLU HB3 . 50985 1 78 . 1 . 1 10 10 GLU HG2 H 1 2.237 0.020 . 1 . . . . . 10 GLU HG2 . 50985 1 79 . 1 . 1 10 10 GLU HG3 H 1 2.237 0.020 . 1 . . . . . 10 GLU HG3 . 50985 1 80 . 1 . 1 10 10 GLU CA C 13 56.388 0.3 . 1 . . . . . 10 GLU CA . 50985 1 81 . 1 . 1 10 10 GLU CB C 13 30.430 0.3 . 1 . . . . . 10 GLU CB . 50985 1 82 . 1 . 1 10 10 GLU CG C 13 36.287 0.3 . 1 . . . . . 10 GLU CG . 50985 1 83 . 1 . 1 10 10 GLU N N 15 123.013 0.3 . 1 . . . . . 10 GLU N . 50985 1 84 . 1 . 1 11 11 GLU H H 1 8.619 0.020 . 1 . . . . . 11 GLU H . 50985 1 85 . 1 . 1 11 11 GLU HA H 1 4.255 0.020 . 1 . . . . . 11 GLU HA . 50985 1 86 . 1 . 1 11 11 GLU HB2 H 1 1.958 0.020 . 1 . . . . . 11 GLU HB2 . 50985 1 87 . 1 . 1 11 11 GLU HB3 H 1 1.958 0.020 . 1 . . . . . 11 GLU HB3 . 50985 1 88 . 1 . 1 11 11 GLU HG2 H 1 2.112 0.020 . 1 . . . . . 11 GLU HG2 . 50985 1 89 . 1 . 1 11 11 GLU HG3 H 1 2.112 0.020 . 1 . . . . . 11 GLU HG3 . 50985 1 90 . 1 . 1 11 11 GLU CA C 13 56.207 0.3 . 1 . . . . . 11 GLU CA . 50985 1 91 . 1 . 1 11 11 GLU CB C 13 30.302 0.3 . 1 . . . . . 11 GLU CB . 50985 1 92 . 1 . 1 11 11 GLU CG C 13 36.203 0.3 . 1 . . . . . 11 GLU CG . 50985 1 93 . 1 . 1 11 11 GLU N N 15 123.065 0.3 . 1 . . . . . 11 GLU N . 50985 1 94 . 1 . 1 12 12 ASP H H 1 8.446 0.020 . 1 . . . . . 12 ASP H . 50985 1 95 . 1 . 1 12 12 ASP HA H 1 4.508 0.020 . 1 . . . . . 12 ASP HA . 50985 1 96 . 1 . 1 12 12 ASP HB2 H 1 2.557 0.020 . 1 . . . . . 12 ASP HB2 . 50985 1 97 . 1 . 1 12 12 ASP HB3 H 1 2.557 0.020 . 1 . . . . . 12 ASP HB3 . 50985 1 98 . 1 . 1 12 12 ASP CA C 13 54.224 0.3 . 1 . . . . . 12 ASP CA . 50985 1 99 . 1 . 1 12 12 ASP CB C 13 40.997 0.3 . 1 . . . . . 12 ASP CB . 50985 1 100 . 1 . 1 12 12 ASP N N 15 121.650 0.3 . 1 . . . . . 12 ASP N . 50985 1 101 . 1 . 1 13 13 THR H H 1 8.182 0.020 . 1 . . . . . 13 THR H . 50985 1 102 . 1 . 1 13 13 THR HA H 1 4.310 0.020 . 1 . . . . . 13 THR HA . 50985 1 103 . 1 . 1 13 13 THR HB H 1 4.299 0.020 . 1 . . . . . 13 THR HB . 50985 1 104 . 1 . 1 13 13 THR HG21 H 1 1.175 0.020 . 1 . . . . . 13 THR HG2 . 50985 1 105 . 1 . 1 13 13 THR HG22 H 1 1.175 0.020 . 1 . . . . . 13 THR HG2 . 50985 1 106 . 1 . 1 13 13 THR HG23 H 1 1.175 0.020 . 1 . . . . . 13 THR HG2 . 50985 1 107 . 1 . 1 13 13 THR CA C 13 61.707 0.3 . 1 . . . . . 13 THR CA . 50985 1 108 . 1 . 1 13 13 THR CB C 13 69.563 0.3 . 1 . . . . . 13 THR CB . 50985 1 109 . 1 . 1 13 13 THR CG2 C 13 21.484 0.3 . 1 . . . . . 13 THR CG2 . 50985 1 110 . 1 . 1 13 13 THR N N 15 114.092 0.3 . 1 . . . . . 13 THR N . 50985 1 111 . 1 . 1 14 14 GLU H H 1 8.609 0.020 . 1 . . . . . 14 GLU H . 50985 1 112 . 1 . 1 14 14 GLU HA H 1 4.277 0.020 . 1 . . . . . 14 GLU HA . 50985 1 113 . 1 . 1 14 14 GLU HB2 H 1 1.899 0.020 . 1 . . . . . 14 GLU HB2 . 50985 1 114 . 1 . 1 14 14 GLU HB3 H 1 1.899 0.020 . 1 . . . . . 14 GLU HB3 . 50985 1 115 . 1 . 1 14 14 GLU CA C 13 56.243 0.3 . 1 . . . . . 14 GLU CA . 50985 1 116 . 1 . 1 14 14 GLU CB C 13 30.361 0.3 . 1 . . . . . 14 GLU CB . 50985 1 117 . 1 . 1 14 14 GLU N N 15 123.245 0.3 . 1 . . . . . 14 GLU N . 50985 1 118 . 1 . 1 15 15 GLU H H 1 8.619 0.020 . 1 . . . . . 15 GLU H . 50985 1 119 . 1 . 1 15 15 GLU HA H 1 4.272 0.020 . 1 . . . . . 15 GLU HA . 50985 1 120 . 1 . 1 15 15 GLU HB2 H 1 1.921 0.020 . 1 . . . . . 15 GLU HB2 . 50985 1 121 . 1 . 1 15 15 GLU HB3 H 1 1.921 0.020 . 1 . . . . . 15 GLU HB3 . 50985 1 122 . 1 . 1 15 15 GLU CA C 13 56.207 0.3 . 1 . . . . . 15 GLU CA . 50985 1 123 . 1 . 1 15 15 GLU CB C 13 30.248 0.3 . 1 . . . . . 15 GLU CB . 50985 1 124 . 1 . 1 15 15 GLU N N 15 123.125 0.3 . 1 . . . . . 15 GLU N . 50985 1 125 . 1 . 1 16 16 LYS H H 1 8.247 0.020 . 1 . . . . . 16 LYS H . 50985 1 126 . 1 . 1 16 16 LYS HA H 1 4.540 0.020 . 1 . . . . . 16 LYS HA . 50985 1 127 . 1 . 1 16 16 LYS HB2 H 1 1.421 0.020 . 2 . . . . . 16 LYS HB2 . 50985 1 128 . 1 . 1 16 16 LYS HB3 H 1 1.331 0.020 . 2 . . . . . 16 LYS HB3 . 50985 1 129 . 1 . 1 16 16 LYS HG2 H 1 1.194 0.020 . 2 . . . . . 16 LYS HG2 . 50985 1 130 . 1 . 1 16 16 LYS HG3 H 1 1.034 0.020 . 2 . . . . . 16 LYS HG3 . 50985 1 131 . 1 . 1 16 16 LYS HD3 H 1 1.458 0.020 . 1 . . . . . 16 LYS HD3 . 50985 1 132 . 1 . 1 16 16 LYS HE2 H 1 2.758 0.020 . 2 . . . . . 16 LYS HE2 . 50985 1 133 . 1 . 1 16 16 LYS HE3 H 1 2.846 0.020 . 2 . . . . . 16 LYS HE3 . 50985 1 134 . 1 . 1 16 16 LYS CA C 13 54.579 0.3 . 1 . . . . . 16 LYS CA . 50985 1 135 . 1 . 1 16 16 LYS CB C 13 35.134 0.3 . 1 . . . . . 16 LYS CB . 50985 1 136 . 1 . 1 16 16 LYS CG C 13 24.760 0.3 . 1 . . . . . 16 LYS CG . 50985 1 137 . 1 . 1 16 16 LYS CD C 13 29.210 0.3 . 1 . . . . . 16 LYS CD . 50985 1 138 . 1 . 1 16 16 LYS CE C 13 41.725 0.3 . 1 . . . . . 16 LYS CE . 50985 1 139 . 1 . 1 16 16 LYS N N 15 120.335 0.3 . 1 . . . . . 16 LYS N . 50985 1 140 . 1 . 1 17 17 CYS H H 1 8.392 0.020 . 1 . . . . . 17 CYS H . 50985 1 141 . 1 . 1 17 17 CYS HA H 1 4.430 0.020 . 1 . . . . . 17 CYS HA . 50985 1 142 . 1 . 1 17 17 CYS HB2 H 1 3.561 0.020 . 2 . . . . . 17 CYS HB2 . 50985 1 143 . 1 . 1 17 17 CYS HB3 H 1 2.328 0.020 . 2 . . . . . 17 CYS HB3 . 50985 1 144 . 1 . 1 17 17 CYS CA C 13 58.487 0.3 . 1 . . . . . 17 CYS CA . 50985 1 145 . 1 . 1 17 17 CYS CB C 13 31.452 0.3 . 1 . . . . . 17 CYS CB . 50985 1 146 . 1 . 1 17 17 CYS N N 15 124.330 0.3 . 1 . . . . . 17 CYS N . 50985 1 147 . 1 . 1 18 18 THR H H 1 8.967 0.020 . 1 . . . . . 18 THR H . 50985 1 148 . 1 . 1 18 18 THR HA H 1 3.980 0.020 . 1 . . . . . 18 THR HA . 50985 1 149 . 1 . 1 18 18 THR CA C 13 65.254 0.3 . 1 . . . . . 18 THR CA . 50985 1 150 . 1 . 1 18 18 THR CB C 13 68.200 0.3 . 1 . . . . . 18 THR CB . 50985 1 151 . 1 . 1 18 18 THR N N 15 122.348 0.3 . 1 . . . . . 18 THR N . 50985 1 152 . 1 . 1 19 19 ILE H H 1 8.199 0.020 . 1 . . . . . 19 ILE H . 50985 1 153 . 1 . 1 19 19 ILE HA H 1 3.899 0.020 . 1 . . . . . 19 ILE HA . 50985 1 154 . 1 . 1 19 19 ILE HB H 1 1.806 0.020 . 1 . . . . . 19 ILE HB . 50985 1 155 . 1 . 1 19 19 ILE HG12 H 1 1.363 0.020 . 2 . . . . . 19 ILE HG12 . 50985 1 156 . 1 . 1 19 19 ILE HG13 H 1 1.198 0.020 . 2 . . . . . 19 ILE HG13 . 50985 1 157 . 1 . 1 19 19 ILE HG21 H 1 1.050 0.020 . 1 . . . . . 19 ILE HG2 . 50985 1 158 . 1 . 1 19 19 ILE HG22 H 1 1.050 0.020 . 1 . . . . . 19 ILE HG2 . 50985 1 159 . 1 . 1 19 19 ILE HG23 H 1 1.050 0.020 . 1 . . . . . 19 ILE HG2 . 50985 1 160 . 1 . 1 19 19 ILE HD11 H 1 0.231 0.020 . 1 . . . . . 19 ILE HD1 . 50985 1 161 . 1 . 1 19 19 ILE HD12 H 1 0.231 0.020 . 1 . . . . . 19 ILE HD1 . 50985 1 162 . 1 . 1 19 19 ILE HD13 H 1 0.231 0.020 . 1 . . . . . 19 ILE HD1 . 50985 1 163 . 1 . 1 19 19 ILE CA C 13 64.602 0.3 . 1 . . . . . 19 ILE CA . 50985 1 164 . 1 . 1 19 19 ILE CB C 13 38.762 0.3 . 1 . . . . . 19 ILE CB . 50985 1 165 . 1 . 1 19 19 ILE CG1 C 13 28.258 0.3 . 1 . . . . . 19 ILE CG1 . 50985 1 166 . 1 . 1 19 19 ILE CG2 C 13 16.550 0.3 . 1 . . . . . 19 ILE CG2 . 50985 1 167 . 1 . 1 19 19 ILE CD1 C 13 12.870 0.3 . 1 . . . . . 19 ILE CD1 . 50985 1 168 . 1 . 1 19 19 ILE N N 15 120.839 0.3 . 1 . . . . . 19 ILE N . 50985 1 169 . 1 . 1 20 20 CYS H H 1 7.624 0.020 . 1 . . . . . 20 CYS H . 50985 1 170 . 1 . 1 20 20 CYS HA H 1 4.892 0.020 . 1 . . . . . 20 CYS HA . 50985 1 171 . 1 . 1 20 20 CYS HB2 H 1 3.313 0.020 . 2 . . . . . 20 CYS HB2 . 50985 1 172 . 1 . 1 20 20 CYS HB3 H 1 3.178 0.020 . 2 . . . . . 20 CYS HB3 . 50985 1 173 . 1 . 1 20 20 CYS CA C 13 58.306 0.3 . 1 . . . . . 20 CYS CA . 50985 1 174 . 1 . 1 20 20 CYS CB C 13 31.520 0.3 . 1 . . . . . 20 CYS CB . 50985 1 175 . 1 . 1 20 20 CYS N N 15 115.754 0.3 . 1 . . . . . 20 CYS N . 50985 1 176 . 1 . 1 21 21 LEU H H 1 8.350 0.020 . 1 . . . . . 21 LEU H . 50985 1 177 . 1 . 1 21 21 LEU HA H 1 3.992 0.020 . 1 . . . . . 21 LEU HA . 50985 1 178 . 1 . 1 21 21 LEU HB2 H 1 2.173 0.020 . 2 . . . . . 21 LEU HB2 . 50985 1 179 . 1 . 1 21 21 LEU HB3 H 1 1.671 0.020 . 2 . . . . . 21 LEU HB3 . 50985 1 180 . 1 . 1 21 21 LEU HG H 1 1.464 0.020 . 1 . . . . . 21 LEU HG . 50985 1 181 . 1 . 1 21 21 LEU HD11 H 1 0.906 0.020 . 1 . . . . . 21 LEU HD1 . 50985 1 182 . 1 . 1 21 21 LEU HD12 H 1 0.906 0.020 . 1 . . . . . 21 LEU HD1 . 50985 1 183 . 1 . 1 21 21 LEU HD13 H 1 0.906 0.020 . 1 . . . . . 21 LEU HD1 . 50985 1 184 . 1 . 1 21 21 LEU HD21 H 1 0.827 0.020 . 1 . . . . . 21 LEU HD2 . 50985 1 185 . 1 . 1 21 21 LEU HD22 H 1 0.827 0.020 . 1 . . . . . 21 LEU HD2 . 50985 1 186 . 1 . 1 21 21 LEU HD23 H 1 0.827 0.020 . 1 . . . . . 21 LEU HD2 . 50985 1 187 . 1 . 1 21 21 LEU CA C 13 56.931 0.3 . 1 . . . . . 21 LEU CA . 50985 1 188 . 1 . 1 21 21 LEU CB C 13 38.526 0.3 . 1 . . . . . 21 LEU CB . 50985 1 189 . 1 . 1 21 21 LEU CG C 13 26.920 0.3 . 1 . . . . . 21 LEU CG . 50985 1 190 . 1 . 1 21 21 LEU CD1 C 13 24.997 0.3 . 1 . . . . . 21 LEU CD1 . 50985 1 191 . 1 . 1 21 21 LEU CD2 C 13 22.990 0.3 . 1 . . . . . 21 LEU CD2 . 50985 1 192 . 1 . 1 21 21 LEU N N 15 120.308 0.3 . 1 . . . . . 21 LEU N . 50985 1 193 . 1 . 1 22 22 SER H H 1 8.590 0.020 . 1 . . . . . 22 SER H . 50985 1 194 . 1 . 1 22 22 SER HA H 1 4.900 0.020 . 1 . . . . . 22 SER HA . 50985 1 195 . 1 . 1 22 22 SER HB2 H 1 4.075 0.020 . 2 . . . . . 22 SER HB2 . 50985 1 196 . 1 . 1 22 22 SER HB3 H 1 4.133 0.020 . 2 . . . . . 22 SER HB3 . 50985 1 197 . 1 . 1 22 22 SER CA C 13 57.944 0.3 . 1 . . . . . 22 SER CA . 50985 1 198 . 1 . 1 22 22 SER CB C 13 64.791 0.3 . 1 . . . . . 22 SER CB . 50985 1 199 . 1 . 1 22 22 SER N N 15 116.405 0.3 . 1 . . . . . 22 SER N . 50985 1 200 . 1 . 1 23 23 ILE H H 1 8.341 0.020 . 1 . . . . . 23 ILE H . 50985 1 201 . 1 . 1 23 23 ILE HA H 1 4.031 0.020 . 1 . . . . . 23 ILE HA . 50985 1 202 . 1 . 1 23 23 ILE HB H 1 1.822 0.020 . 1 . . . . . 23 ILE HB . 50985 1 203 . 1 . 1 23 23 ILE HG12 H 1 1.524 0.020 . 2 . . . . . 23 ILE HG12 . 50985 1 204 . 1 . 1 23 23 ILE HG13 H 1 1.166 0.020 . 2 . . . . . 23 ILE HG13 . 50985 1 205 . 1 . 1 23 23 ILE HG21 H 1 0.878 0.020 . 1 . . . . . 23 ILE HG2 . 50985 1 206 . 1 . 1 23 23 ILE HG22 H 1 0.878 0.020 . 1 . . . . . 23 ILE HG2 . 50985 1 207 . 1 . 1 23 23 ILE HG23 H 1 0.878 0.020 . 1 . . . . . 23 ILE HG2 . 50985 1 208 . 1 . 1 23 23 ILE HD11 H 1 0.844 0.020 . 1 . . . . . 23 ILE HD1 . 50985 1 209 . 1 . 1 23 23 ILE HD12 H 1 0.844 0.020 . 1 . . . . . 23 ILE HD1 . 50985 1 210 . 1 . 1 23 23 ILE HD13 H 1 0.844 0.020 . 1 . . . . . 23 ILE HD1 . 50985 1 211 . 1 . 1 23 23 ILE CA C 13 61.997 0.3 . 1 . . . . . 23 ILE CA . 50985 1 212 . 1 . 1 23 23 ILE CB C 13 39.088 0.3 . 1 . . . . . 23 ILE CB . 50985 1 213 . 1 . 1 23 23 ILE CG1 C 13 28.007 0.3 . 1 . . . . . 23 ILE CG1 . 50985 1 214 . 1 . 1 23 23 ILE CG2 C 13 17.721 0.3 . 1 . . . . . 23 ILE CG2 . 50985 1 215 . 1 . 1 23 23 ILE CD1 C 13 13.038 0.3 . 1 . . . . . 23 ILE CD1 . 50985 1 216 . 1 . 1 23 23 ILE N N 15 121.439 0.3 . 1 . . . . . 23 ILE N . 50985 1 217 . 1 . 1 24 24 LEU H H 1 8.028 0.020 . 1 . . . . . 24 LEU H . 50985 1 218 . 1 . 1 24 24 LEU HA H 1 4.272 0.020 . 1 . . . . . 24 LEU HA . 50985 1 219 . 1 . 1 24 24 LEU HB2 H 1 1.450 0.020 . 2 . . . . . 24 LEU HB2 . 50985 1 220 . 1 . 1 24 24 LEU HB3 H 1 1.100 0.020 . 2 . . . . . 24 LEU HB3 . 50985 1 221 . 1 . 1 24 24 LEU HG H 1 1.155 0.020 . 1 . . . . . 24 LEU HG . 50985 1 222 . 1 . 1 24 24 LEU HD11 H 1 0.404 0.020 . 1 . . . . . 24 LEU HD1 . 50985 1 223 . 1 . 1 24 24 LEU HD12 H 1 0.404 0.020 . 1 . . . . . 24 LEU HD1 . 50985 1 224 . 1 . 1 24 24 LEU HD13 H 1 0.404 0.020 . 1 . . . . . 24 LEU HD1 . 50985 1 225 . 1 . 1 24 24 LEU HD21 H 1 0.084 0.020 . 1 . . . . . 24 LEU HD2 . 50985 1 226 . 1 . 1 24 24 LEU HD22 H 1 0.084 0.020 . 1 . . . . . 24 LEU HD2 . 50985 1 227 . 1 . 1 24 24 LEU HD23 H 1 0.084 0.020 . 1 . . . . . 24 LEU HD2 . 50985 1 228 . 1 . 1 24 24 LEU CA C 13 53.927 0.3 . 1 . . . . . 24 LEU CA . 50985 1 229 . 1 . 1 24 24 LEU CB C 13 41.065 0.3 . 1 . . . . . 24 LEU CB . 50985 1 230 . 1 . 1 24 24 LEU CG C 13 26.235 0.3 . 1 . . . . . 24 LEU CG . 50985 1 231 . 1 . 1 24 24 LEU CD1 C 13 25.764 0.3 . 1 . . . . . 24 LEU CD1 . 50985 1 232 . 1 . 1 24 24 LEU CD2 C 13 23.643 0.3 . 1 . . . . . 24 LEU CD2 . 50985 1 233 . 1 . 1 24 24 LEU N N 15 125.421 0.3 . 1 . . . . . 24 LEU N . 50985 1 234 . 1 . 1 25 25 GLU H H 1 8.973 0.020 . 1 . . . . . 25 GLU H . 50985 1 235 . 1 . 1 25 25 GLU HA H 1 4.435 0.020 . 1 . . . . . 25 GLU HA . 50985 1 236 . 1 . 1 25 25 GLU HB2 H 1 2.011 0.020 . 2 . . . . . 25 GLU HB2 . 50985 1 237 . 1 . 1 25 25 GLU HB3 H 1 1.741 0.020 . 2 . . . . . 25 GLU HB3 . 50985 1 238 . 1 . 1 25 25 GLU HG2 H 1 2.309 0.020 . 2 . . . . . 25 GLU HG2 . 50985 1 239 . 1 . 1 25 25 GLU HG3 H 1 2.200 0.020 . 2 . . . . . 25 GLU HG3 . 50985 1 240 . 1 . 1 25 25 GLU CA C 13 55.158 0.3 . 1 . . . . . 25 GLU CA . 50985 1 241 . 1 . 1 25 25 GLU CB C 13 31.248 0.3 . 1 . . . . . 25 GLU CB . 50985 1 242 . 1 . 1 25 25 GLU CG C 13 35.869 0.3 . 1 . . . . . 25 GLU CG . 50985 1 243 . 1 . 1 25 25 GLU N N 15 126.020 0.3 . 1 . . . . . 25 GLU N . 50985 1 244 . 1 . 1 26 26 GLU H H 1 8.751 0.020 . 1 . . . . . 26 GLU H . 50985 1 245 . 1 . 1 26 26 GLU HA H 1 4.057 0.020 . 1 . . . . . 26 GLU HA . 50985 1 246 . 1 . 1 26 26 GLU HB2 H 1 1.973 0.020 . 1 . . . . . 26 GLU HB2 . 50985 1 247 . 1 . 1 26 26 GLU HB3 H 1 1.973 0.020 . 1 . . . . . 26 GLU HB3 . 50985 1 248 . 1 . 1 26 26 GLU HG2 H 1 2.284 0.020 . 1 . . . . . 26 GLU HG2 . 50985 1 249 . 1 . 1 26 26 GLU HG3 H 1 2.284 0.020 . 1 . . . . . 26 GLU HG3 . 50985 1 250 . 1 . 1 26 26 GLU CA C 13 58.197 0.3 . 1 . . . . . 26 GLU CA . 50985 1 251 . 1 . 1 26 26 GLU CB C 13 29.339 0.3 . 1 . . . . . 26 GLU CB . 50985 1 252 . 1 . 1 26 26 GLU CG C 13 36.036 0.3 . 1 . . . . . 26 GLU CG . 50985 1 253 . 1 . 1 26 26 GLU N N 15 123.632 0.3 . 1 . . . . . 26 GLU N . 50985 1 254 . 1 . 1 27 27 GLY H H 1 8.744 0.020 . 1 . . . . . 27 GLY H . 50985 1 255 . 1 . 1 27 27 GLY HA2 H 1 4.246 0.020 . 2 . . . . . 27 GLY HA2 . 50985 1 256 . 1 . 1 27 27 GLY HA3 H 1 3.788 0.020 . 2 . . . . . 27 GLY HA3 . 50985 1 257 . 1 . 1 27 27 GLY CA C 13 45.098 0.3 . 1 . . . . . 27 GLY CA . 50985 1 258 . 1 . 1 27 27 GLY N N 15 112.838 0.3 . 1 . . . . . 27 GLY N . 50985 1 259 . 1 . 1 28 28 GLU H H 1 7.764 0.020 . 1 . . . . . 28 GLU H . 50985 1 260 . 1 . 1 28 28 GLU HA H 1 4.400 0.020 . 1 . . . . . 28 GLU HA . 50985 1 261 . 1 . 1 28 28 GLU HB2 H 1 2.312 0.020 . 2 . . . . . 28 GLU HB2 . 50985 1 262 . 1 . 1 28 28 GLU HB3 H 1 1.978 0.020 . 2 . . . . . 28 GLU HB3 . 50985 1 263 . 1 . 1 28 28 GLU HG2 H 1 2.270 0.020 . 2 . . . . . 28 GLU HG2 . 50985 1 264 . 1 . 1 28 28 GLU HG3 H 1 1.993 0.020 . 2 . . . . . 28 GLU HG3 . 50985 1 265 . 1 . 1 28 28 GLU CA C 13 56.316 0.3 . 1 . . . . . 28 GLU CA . 50985 1 266 . 1 . 1 28 28 GLU CB C 13 30.907 0.3 . 1 . . . . . 28 GLU CB . 50985 1 267 . 1 . 1 28 28 GLU CG C 13 36.203 0.3 . 1 . . . . . 28 GLU CG . 50985 1 268 . 1 . 1 28 28 GLU N N 15 119.162 0.3 . 1 . . . . . 28 GLU N . 50985 1 269 . 1 . 1 29 29 ASP H H 1 8.845 0.020 . 1 . . . . . 29 ASP H . 50985 1 270 . 1 . 1 29 29 ASP HA H 1 4.780 0.020 . 1 . . . . . 29 ASP HA . 50985 1 271 . 1 . 1 29 29 ASP HB2 H 1 2.764 0.020 . 1 . . . . . 29 ASP HB2 . 50985 1 272 . 1 . 1 29 29 ASP HB3 H 1 2.764 0.020 . 1 . . . . . 29 ASP HB3 . 50985 1 273 . 1 . 1 29 29 ASP CA C 13 54.760 0.3 . 1 . . . . . 29 ASP CA . 50985 1 274 . 1 . 1 29 29 ASP CB C 13 40.315 0.3 . 1 . . . . . 29 ASP CB . 50985 1 275 . 1 . 1 29 29 ASP N N 15 121.125 0.3 . 1 . . . . . 29 ASP N . 50985 1 276 . 1 . 1 30 30 VAL H H 1 8.571 0.020 . 1 . . . . . 30 VAL H . 50985 1 277 . 1 . 1 30 30 VAL HA H 1 4.676 0.020 . 1 . . . . . 30 VAL HA . 50985 1 278 . 1 . 1 30 30 VAL HB H 1 1.973 0.020 . 1 . . . . . 30 VAL HB . 50985 1 279 . 1 . 1 30 30 VAL HG11 H 1 0.806 0.020 . 1 . . . . . 30 VAL HG1 . 50985 1 280 . 1 . 1 30 30 VAL HG12 H 1 0.806 0.020 . 1 . . . . . 30 VAL HG1 . 50985 1 281 . 1 . 1 30 30 VAL HG13 H 1 0.806 0.020 . 1 . . . . . 30 VAL HG1 . 50985 1 282 . 1 . 1 30 30 VAL HG21 H 1 0.867 0.020 . 1 . . . . . 30 VAL HG2 . 50985 1 283 . 1 . 1 30 30 VAL HG22 H 1 0.867 0.020 . 1 . . . . . 30 VAL HG2 . 50985 1 284 . 1 . 1 30 30 VAL HG23 H 1 0.867 0.020 . 1 . . . . . 30 VAL HG2 . 50985 1 285 . 1 . 1 30 30 VAL CA C 13 61.092 0.3 . 1 . . . . . 30 VAL CA . 50985 1 286 . 1 . 1 30 30 VAL CB C 13 34.929 0.3 . 1 . . . . . 30 VAL CB . 50985 1 287 . 1 . 1 30 30 VAL CG1 C 13 21.981 0.3 . 1 . . . . . 30 VAL CG1 . 50985 1 288 . 1 . 1 30 30 VAL CG2 C 13 20.097 0.3 . 1 . . . . . 30 VAL CG2 . 50985 1 289 . 1 . 1 30 30 VAL N N 15 124.493 0.3 . 1 . . . . . 30 VAL N . 50985 1 290 . 1 . 1 31 31 ARG H H 1 9.151 0.020 . 1 . . . . . 31 ARG H . 50985 1 291 . 1 . 1 31 31 ARG HA H 1 4.608 0.020 . 1 . . . . . 31 ARG HA . 50985 1 292 . 1 . 1 31 31 ARG HB2 H 1 1.637 0.020 . 1 . . . . . 31 ARG HB2 . 50985 1 293 . 1 . 1 31 31 ARG HB3 H 1 1.637 0.020 . 1 . . . . . 31 ARG HB3 . 50985 1 294 . 1 . 1 31 31 ARG HG2 H 1 1.628 0.020 . 1 . . . . . 31 ARG HG2 . 50985 1 295 . 1 . 1 31 31 ARG HG3 H 1 1.628 0.020 . 1 . . . . . 31 ARG HG3 . 50985 1 296 . 1 . 1 31 31 ARG HD2 H 1 3.114 0.020 . 2 . . . . . 31 ARG HD2 . 50985 1 297 . 1 . 1 31 31 ARG HD3 H 1 3.248 0.020 . 2 . . . . . 31 ARG HD3 . 50985 1 298 . 1 . 1 31 31 ARG CA C 13 54.341 0.3 . 1 . . . . . 31 ARG CA . 50985 1 299 . 1 . 1 31 31 ARG CB C 13 33.111 0.3 . 1 . . . . . 31 ARG CB . 50985 1 300 . 1 . 1 31 31 ARG CG C 13 27.119 0.3 . 1 . . . . . 31 ARG CG . 50985 1 301 . 1 . 1 31 31 ARG CD C 13 42.899 0.3 . 1 . . . . . 31 ARG CD . 50985 1 302 . 1 . 1 31 31 ARG N N 15 125.156 0.3 . 1 . . . . . 31 ARG N . 50985 1 303 . 1 . 1 32 32 CYS H H 1 8.903 0.020 . 1 . . . . . 32 CYS H . 50985 1 304 . 1 . 1 32 32 CYS HA H 1 5.017 0.020 . 1 . . . . . 32 CYS HA . 50985 1 305 . 1 . 1 32 32 CYS HB2 H 1 2.967 0.020 . 2 . . . . . 32 CYS HB2 . 50985 1 306 . 1 . 1 32 32 CYS HB3 H 1 2.521 0.020 . 2 . . . . . 32 CYS HB3 . 50985 1 307 . 1 . 1 32 32 CYS CA C 13 56.895 0.3 . 1 . . . . . 32 CYS CA . 50985 1 308 . 1 . 1 32 32 CYS CB C 13 27.771 0.3 . 1 . . . . . 32 CYS CB . 50985 1 309 . 1 . 1 32 32 CYS N N 15 127.080 0.3 . 1 . . . . . 32 CYS N . 50985 1 310 . 1 . 1 33 33 LEU H H 1 8.825 0.020 . 1 . . . . . 33 LEU H . 50985 1 311 . 1 . 1 33 33 LEU HA H 1 4.756 0.020 . 1 . . . . . 33 LEU HA . 50985 1 312 . 1 . 1 33 33 LEU HB2 H 1 2.579 0.020 . 2 . . . . . 33 LEU HB2 . 50985 1 313 . 1 . 1 33 33 LEU HB3 H 1 2.041 0.020 . 2 . . . . . 33 LEU HB3 . 50985 1 314 . 1 . 1 33 33 LEU HG H 1 2.118 0.020 . 1 . . . . . 33 LEU HG . 50985 1 315 . 1 . 1 33 33 LEU HD11 H 1 1.166 0.020 . 1 . . . . . 33 LEU HD1 . 50985 1 316 . 1 . 1 33 33 LEU HD12 H 1 1.166 0.020 . 1 . . . . . 33 LEU HD1 . 50985 1 317 . 1 . 1 33 33 LEU HD13 H 1 1.166 0.020 . 1 . . . . . 33 LEU HD1 . 50985 1 318 . 1 . 1 33 33 LEU HD21 H 1 0.957 0.020 . 1 . . . . . 33 LEU HD2 . 50985 1 319 . 1 . 1 33 33 LEU HD22 H 1 0.957 0.020 . 1 . . . . . 33 LEU HD2 . 50985 1 320 . 1 . 1 33 33 LEU HD23 H 1 0.957 0.020 . 1 . . . . . 33 LEU HD2 . 50985 1 321 . 1 . 1 33 33 LEU CA C 13 54.579 0.3 . 1 . . . . . 33 LEU CA . 50985 1 322 . 1 . 1 33 33 LEU CB C 13 41.097 0.3 . 1 . . . . . 33 LEU CB . 50985 1 323 . 1 . 1 33 33 LEU CG C 13 27.540 0.3 . 1 . . . . . 33 LEU CG . 50985 1 324 . 1 . 1 33 33 LEU CD1 C 13 25.764 0.3 . 1 . . . . . 33 LEU CD1 . 50985 1 325 . 1 . 1 33 33 LEU CD2 C 13 21.981 0.3 . 1 . . . . . 33 LEU CD2 . 50985 1 326 . 1 . 1 33 33 LEU N N 15 128.734 0.3 . 1 . . . . . 33 LEU N . 50985 1 327 . 1 . 1 34 34 PRO HA H 1 4.350 0.020 . 1 . . . . . 34 PRO HA . 50985 1 328 . 1 . 1 34 34 PRO HB2 H 1 2.448 0.020 . 2 . . . . . 34 PRO HB2 . 50985 1 329 . 1 . 1 34 34 PRO HB3 H 1 2.002 0.020 . 2 . . . . . 34 PRO HB3 . 50985 1 330 . 1 . 1 34 34 PRO HG2 H 1 2.109 0.020 . 1 . . . . . 34 PRO HG2 . 50985 1 331 . 1 . 1 34 34 PRO HG3 H 1 2.109 0.020 . 1 . . . . . 34 PRO HG3 . 50985 1 332 . 1 . 1 34 34 PRO HD2 H 1 3.979 0.020 . 1 . . . . . 34 PRO HD2 . 50985 1 333 . 1 . 1 34 34 PRO HD3 H 1 3.979 0.020 . 1 . . . . . 34 PRO HD3 . 50985 1 334 . 1 . 1 34 34 PRO CA C 13 65.813 0.3 . 1 . . . . . 34 PRO CA . 50985 1 335 . 1 . 1 34 34 PRO CB C 13 31.589 0.3 . 1 . . . . . 34 PRO CB . 50985 1 336 . 1 . 1 34 34 PRO CG C 13 28.140 0.3 . 1 . . . . . 34 PRO CG . 50985 1 337 . 1 . 1 34 34 PRO CD C 13 50.713 0.3 . 1 . . . . . 34 PRO CD . 50985 1 338 . 1 . 1 35 35 CYS H H 1 7.506 0.020 . 1 . . . . . 35 CYS H . 50985 1 339 . 1 . 1 35 35 CYS HA H 1 4.329 0.020 . 1 . . . . . 35 CYS HA . 50985 1 340 . 1 . 1 35 35 CYS HB2 H 1 3.091 0.020 . 2 . . . . . 35 CYS HB2 . 50985 1 341 . 1 . 1 35 35 CYS HB3 H 1 2.625 0.020 . 2 . . . . . 35 CYS HB3 . 50985 1 342 . 1 . 1 35 35 CYS CA C 13 57.546 0.3 . 1 . . . . . 35 CYS CA . 50985 1 343 . 1 . 1 35 35 CYS CB C 13 31.209 0.3 . 1 . . . . . 35 CYS CB . 50985 1 344 . 1 . 1 35 35 CYS N N 15 112.663 0.3 . 1 . . . . . 35 CYS N . 50985 1 345 . 1 . 1 36 36 MET H H 1 8.371 0.020 . 1 . . . . . 36 MET H . 50985 1 346 . 1 . 1 36 36 MET HA H 1 4.105 0.020 . 1 . . . . . 36 MET HA . 50985 1 347 . 1 . 1 36 36 MET HB2 H 1 2.037 0.020 . 1 . . . . . 36 MET HB2 . 50985 1 348 . 1 . 1 36 36 MET HB3 H 1 2.037 0.020 . 1 . . . . . 36 MET HB3 . 50985 1 349 . 1 . 1 36 36 MET HG2 H 1 2.374 0.020 . 2 . . . . . 36 MET HG2 . 50985 1 350 . 1 . 1 36 36 MET HG3 H 1 2.194 0.020 . 2 . . . . . 36 MET HG3 . 50985 1 351 . 1 . 1 36 36 MET CA C 13 56.060 0.3 . 1 . . . . . 36 MET CA . 50985 1 352 . 1 . 1 36 36 MET CB C 13 27.089 0.3 . 1 . . . . . 36 MET CB . 50985 1 353 . 1 . 1 36 36 MET CG C 13 32.238 0.3 . 1 . . . . . 36 MET CG . 50985 1 354 . 1 . 1 36 36 MET N N 15 113.146 0.3 . 1 . . . . . 36 MET N . 50985 1 355 . 1 . 1 37 37 HIS H H 1 7.768 0.020 . 1 . . . . . 37 HIS H . 50985 1 356 . 1 . 1 37 37 HIS HA H 1 4.563 0.020 . 1 . . . . . 37 HIS HA . 50985 1 357 . 1 . 1 37 37 HIS HB2 H 1 3.341 0.020 . 2 . . . . . 37 HIS HB2 . 50985 1 358 . 1 . 1 37 37 HIS HB3 H 1 2.865 0.020 . 2 . . . . . 37 HIS HB3 . 50985 1 359 . 1 . 1 37 37 HIS CA C 13 59.826 0.3 . 1 . . . . . 37 HIS CA . 50985 1 360 . 1 . 1 37 37 HIS CB C 13 31.384 0.3 . 1 . . . . . 37 HIS CB . 50985 1 361 . 1 . 1 37 37 HIS N N 15 120.906 0.3 . 1 . . . . . 37 HIS N . 50985 1 362 . 1 . 1 38 38 LEU H H 1 8.051 0.020 . 1 . . . . . 38 LEU H . 50985 1 363 . 1 . 1 38 38 LEU HA H 1 4.961 0.020 . 1 . . . . . 38 LEU HA . 50985 1 364 . 1 . 1 38 38 LEU HB2 H 1 1.389 0.020 . 2 . . . . . 38 LEU HB2 . 50985 1 365 . 1 . 1 38 38 LEU HB3 H 1 1.148 0.020 . 2 . . . . . 38 LEU HB3 . 50985 1 366 . 1 . 1 38 38 LEU HG H 1 1.452 0.020 . 1 . . . . . 38 LEU HG . 50985 1 367 . 1 . 1 38 38 LEU HD11 H 1 0.760 0.020 . 1 . . . . . 38 LEU HD1 . 50985 1 368 . 1 . 1 38 38 LEU HD12 H 1 0.760 0.020 . 1 . . . . . 38 LEU HD1 . 50985 1 369 . 1 . 1 38 38 LEU HD13 H 1 0.760 0.020 . 1 . . . . . 38 LEU HD1 . 50985 1 370 . 1 . 1 38 38 LEU HD21 H 1 0.713 0.020 . 1 . . . . . 38 LEU HD2 . 50985 1 371 . 1 . 1 38 38 LEU HD22 H 1 0.713 0.020 . 1 . . . . . 38 LEU HD2 . 50985 1 372 . 1 . 1 38 38 LEU HD23 H 1 0.713 0.020 . 1 . . . . . 38 LEU HD2 . 50985 1 373 . 1 . 1 38 38 LEU CA C 13 54.000 0.3 . 1 . . . . . 38 LEU CA . 50985 1 374 . 1 . 1 38 38 LEU CB C 13 45.906 0.3 . 1 . . . . . 38 LEU CB . 50985 1 375 . 1 . 1 38 38 LEU CG C 13 26.837 0.3 . 1 . . . . . 38 LEU CG . 50985 1 376 . 1 . 1 38 38 LEU CD1 C 13 25.159 0.3 . 1 . . . . . 38 LEU CD1 . 50985 1 377 . 1 . 1 38 38 LEU CD2 C 13 24.657 0.3 . 1 . . . . . 38 LEU CD2 . 50985 1 378 . 1 . 1 38 38 LEU N N 15 122.859 0.3 . 1 . . . . . 38 LEU N . 50985 1 379 . 1 . 1 39 39 PHE H H 1 8.068 0.020 . 1 . . . . . 39 PHE H . 50985 1 380 . 1 . 1 39 39 PHE HA H 1 4.886 0.020 . 1 . . . . . 39 PHE HA . 50985 1 381 . 1 . 1 39 39 PHE HB2 H 1 3.473 0.020 . 2 . . . . . 39 PHE HB2 . 50985 1 382 . 1 . 1 39 39 PHE HB3 H 1 2.322 0.020 . 2 . . . . . 39 PHE HB3 . 50985 1 383 . 1 . 1 39 39 PHE CA C 13 55.628 0.3 . 1 . . . . . 39 PHE CA . 50985 1 384 . 1 . 1 39 39 PHE CB C 13 45.726 0.3 . 1 . . . . . 39 PHE CB . 50985 1 385 . 1 . 1 39 39 PHE N N 15 115.131 0.3 . 1 . . . . . 39 PHE N . 50985 1 386 . 1 . 1 40 40 HIS H H 1 8.442 0.020 . 1 . . . . . 40 HIS H . 50985 1 387 . 1 . 1 40 40 HIS HA H 1 4.698 0.020 . 1 . . . . . 40 HIS HA . 50985 1 388 . 1 . 1 40 40 HIS HB2 H 1 4.082 0.020 . 2 . . . . . 40 HIS HB2 . 50985 1 389 . 1 . 1 40 40 HIS HB3 H 1 3.733 0.020 . 2 . . . . . 40 HIS HB3 . 50985 1 390 . 1 . 1 40 40 HIS CA C 13 60.224 0.3 . 1 . . . . . 40 HIS CA . 50985 1 391 . 1 . 1 40 40 HIS CB C 13 30.839 0.3 . 1 . . . . . 40 HIS CB . 50985 1 392 . 1 . 1 40 40 HIS N N 15 119.002 0.3 . 1 . . . . . 40 HIS N . 50985 1 393 . 1 . 1 41 41 GLN H H 1 9.055 0.020 . 1 . . . . . 41 GLN H . 50985 1 394 . 1 . 1 41 41 GLN HA H 1 3.787 0.020 . 1 . . . . . 41 GLN HA . 50985 1 395 . 1 . 1 41 41 GLN HB2 H 1 2.096 0.020 . 2 . . . . . 41 GLN HB2 . 50985 1 396 . 1 . 1 41 41 GLN HB3 H 1 1.865 0.020 . 2 . . . . . 41 GLN HB3 . 50985 1 397 . 1 . 1 41 41 GLN HG2 H 1 2.386 0.020 . 2 . . . . . 41 GLN HG2 . 50985 1 398 . 1 . 1 41 41 GLN HG3 H 1 2.276 0.020 . 2 . . . . . 41 GLN HG3 . 50985 1 399 . 1 . 1 41 41 GLN CA C 13 60.063 0.3 . 1 . . . . . 41 GLN CA . 50985 1 400 . 1 . 1 41 41 GLN CB C 13 28.384 0.3 . 1 . . . . . 41 GLN CB . 50985 1 401 . 1 . 1 41 41 GLN CG C 13 33.008 0.3 . 1 . . . . . 41 GLN CG . 50985 1 402 . 1 . 1 41 41 GLN N N 15 125.650 0.3 . 1 . . . . . 41 GLN N . 50985 1 403 . 1 . 1 42 42 VAL H H 1 8.784 0.020 . 1 . . . . . 42 VAL H . 50985 1 404 . 1 . 1 42 42 VAL HA H 1 4.022 0.020 . 1 . . . . . 42 VAL HA . 50985 1 405 . 1 . 1 42 42 VAL HB H 1 2.087 0.020 . 1 . . . . . 42 VAL HB . 50985 1 406 . 1 . 1 42 42 VAL HG11 H 1 1.119 0.020 . 1 . . . . . 42 VAL HG1 . 50985 1 407 . 1 . 1 42 42 VAL HG12 H 1 1.119 0.020 . 1 . . . . . 42 VAL HG1 . 50985 1 408 . 1 . 1 42 42 VAL HG13 H 1 1.119 0.020 . 1 . . . . . 42 VAL HG1 . 50985 1 409 . 1 . 1 42 42 VAL HG21 H 1 1.054 0.020 . 1 . . . . . 42 VAL HG2 . 50985 1 410 . 1 . 1 42 42 VAL HG22 H 1 1.054 0.020 . 1 . . . . . 42 VAL HG2 . 50985 1 411 . 1 . 1 42 42 VAL HG23 H 1 1.054 0.020 . 1 . . . . . 42 VAL HG2 . 50985 1 412 . 1 . 1 42 42 VAL CA C 13 65.362 0.3 . 1 . . . . . 42 VAL CA . 50985 1 413 . 1 . 1 42 42 VAL CB C 13 31.589 0.3 . 1 . . . . . 42 VAL CB . 50985 1 414 . 1 . 1 42 42 VAL CG1 C 13 21.233 0.3 . 1 . . . . . 42 VAL CG1 . 50985 1 415 . 1 . 1 42 42 VAL CG2 C 13 21.068 0.3 . 1 . . . . . 42 VAL CG2 . 50985 1 416 . 1 . 1 42 42 VAL N N 15 115.039 0.3 . 1 . . . . . 42 VAL N . 50985 1 417 . 1 . 1 43 43 CYS H H 1 6.588 0.020 . 1 . . . . . 43 CYS H . 50985 1 418 . 1 . 1 43 43 CYS HA H 1 4.108 0.020 . 1 . . . . . 43 CYS HA . 50985 1 419 . 1 . 1 43 43 CYS HB2 H 1 2.996 0.020 . 2 . . . . . 43 CYS HB2 . 50985 1 420 . 1 . 1 43 43 CYS HB3 H 1 3.113 0.020 . 2 . . . . . 43 CYS HB3 . 50985 1 421 . 1 . 1 43 43 CYS CA C 13 63.227 0.3 . 1 . . . . . 43 CYS CA . 50985 1 422 . 1 . 1 43 43 CYS CB C 13 28.930 0.3 . 1 . . . . . 43 CYS CB . 50985 1 423 . 1 . 1 43 43 CYS N N 15 118.629 0.3 . 1 . . . . . 43 CYS N . 50985 1 424 . 1 . 1 44 44 VAL H H 1 8.137 0.020 . 1 . . . . . 44 VAL H . 50985 1 425 . 1 . 1 44 44 VAL HA H 1 3.771 0.020 . 1 . . . . . 44 VAL HA . 50985 1 426 . 1 . 1 44 44 VAL HB H 1 1.870 0.020 . 1 . . . . . 44 VAL HB . 50985 1 427 . 1 . 1 44 44 VAL HG11 H 1 0.719 0.020 . 1 . . . . . 44 VAL HG1 . 50985 1 428 . 1 . 1 44 44 VAL HG12 H 1 0.719 0.020 . 1 . . . . . 44 VAL HG1 . 50985 1 429 . 1 . 1 44 44 VAL HG13 H 1 0.719 0.020 . 1 . . . . . 44 VAL HG1 . 50985 1 430 . 1 . 1 44 44 VAL HG21 H 1 1.006 0.020 . 1 . . . . . 44 VAL HG2 . 50985 1 431 . 1 . 1 44 44 VAL HG22 H 1 1.006 0.020 . 1 . . . . . 44 VAL HG2 . 50985 1 432 . 1 . 1 44 44 VAL HG23 H 1 1.006 0.020 . 1 . . . . . 44 VAL HG2 . 50985 1 433 . 1 . 1 44 44 VAL CA C 13 65.000 0.3 . 1 . . . . . 44 VAL CA . 50985 1 434 . 1 . 1 44 44 VAL CB C 13 31.725 0.3 . 1 . . . . . 44 VAL CB . 50985 1 435 . 1 . 1 44 44 VAL CG1 C 13 23.659 0.3 . 1 . . . . . 44 VAL CG1 . 50985 1 436 . 1 . 1 44 44 VAL CG2 C 13 20.983 0.3 . 1 . . . . . 44 VAL CG2 . 50985 1 437 . 1 . 1 44 44 VAL N N 15 119.602 0.3 . 1 . . . . . 44 VAL N . 50985 1 438 . 1 . 1 45 45 ASP H H 1 8.441 0.020 . 1 . . . . . 45 ASP H . 50985 1 439 . 1 . 1 45 45 ASP HA H 1 4.441 0.020 . 1 . . . . . 45 ASP HA . 50985 1 440 . 1 . 1 45 45 ASP HB2 H 1 2.846 0.020 . 2 . . . . . 45 ASP HB2 . 50985 1 441 . 1 . 1 45 45 ASP HB3 H 1 2.558 0.020 . 2 . . . . . 45 ASP HB3 . 50985 1 442 . 1 . 1 45 45 ASP CA C 13 58.089 0.3 . 1 . . . . . 45 ASP CA . 50985 1 443 . 1 . 1 45 45 ASP CB C 13 39.702 0.3 . 1 . . . . . 45 ASP CB . 50985 1 444 . 1 . 1 45 45 ASP N N 15 122.568 0.3 . 1 . . . . . 45 ASP N . 50985 1 445 . 1 . 1 46 46 GLN H H 1 7.579 0.020 . 1 . . . . . 46 GLN H . 50985 1 446 . 1 . 1 46 46 GLN HA H 1 4.155 0.020 . 1 . . . . . 46 GLN HA . 50985 1 447 . 1 . 1 46 46 GLN HB2 H 1 2.219 0.020 . 1 . . . . . 46 GLN HB2 . 50985 1 448 . 1 . 1 46 46 GLN HB3 H 1 2.219 0.020 . 1 . . . . . 46 GLN HB3 . 50985 1 449 . 1 . 1 46 46 GLN HG2 H 1 2.534 0.020 . 2 . . . . . 46 GLN HG2 . 50985 1 450 . 1 . 1 46 46 GLN HG3 H 1 2.467 0.020 . 2 . . . . . 46 GLN HG3 . 50985 1 451 . 1 . 1 46 46 GLN CA C 13 58.342 0.3 . 1 . . . . . 46 GLN CA . 50985 1 452 . 1 . 1 46 46 GLN CB C 13 28.384 0.3 . 1 . . . . . 46 GLN CB . 50985 1 453 . 1 . 1 46 46 GLN CG C 13 33.192 0.3 . 1 . . . . . 46 GLN CG . 50985 1 454 . 1 . 1 46 46 GLN N N 15 116.924 0.3 . 1 . . . . . 46 GLN N . 50985 1 455 . 1 . 1 47 47 TRP H H 1 8.280 0.020 . 1 . . . . . 47 TRP H . 50985 1 456 . 1 . 1 47 47 TRP HA H 1 4.206 0.020 . 1 . . . . . 47 TRP HA . 50985 1 457 . 1 . 1 47 47 TRP HB2 H 1 3.510 0.020 . 2 . . . . . 47 TRP HB2 . 50985 1 458 . 1 . 1 47 47 TRP HB3 H 1 3.388 0.020 . 2 . . . . . 47 TRP HB3 . 50985 1 459 . 1 . 1 47 47 TRP CA C 13 60.658 0.3 . 1 . . . . . 47 TRP CA . 50985 1 460 . 1 . 1 47 47 TRP CB C 13 29.262 0.3 . 1 . . . . . 47 TRP CB . 50985 1 461 . 1 . 1 47 47 TRP N N 15 123.959 0.3 . 1 . . . . . 47 TRP N . 50985 1 462 . 1 . 1 48 48 LEU H H 1 8.487 0.020 . 1 . . . . . 48 LEU H . 50985 1 463 . 1 . 1 48 48 LEU HA H 1 4.613 0.020 . 1 . . . . . 48 LEU HA . 50985 1 464 . 1 . 1 48 48 LEU HB2 H 1 1.973 0.020 . 2 . . . . . 48 LEU HB2 . 50985 1 465 . 1 . 1 48 48 LEU HB3 H 1 1.572 0.020 . 2 . . . . . 48 LEU HB3 . 50985 1 466 . 1 . 1 48 48 LEU HG H 1 2.023 0.020 . 1 . . . . . 48 LEU HG . 50985 1 467 . 1 . 1 48 48 LEU HD11 H 1 0.947 0.020 . 1 . . . . . 48 LEU HD1 . 50985 1 468 . 1 . 1 48 48 LEU HD12 H 1 0.947 0.020 . 1 . . . . . 48 LEU HD1 . 50985 1 469 . 1 . 1 48 48 LEU HD13 H 1 0.947 0.020 . 1 . . . . . 48 LEU HD1 . 50985 1 470 . 1 . 1 48 48 LEU HD21 H 1 1.007 0.020 . 1 . . . . . 48 LEU HD2 . 50985 1 471 . 1 . 1 48 48 LEU HD22 H 1 1.007 0.020 . 1 . . . . . 48 LEU HD2 . 50985 1 472 . 1 . 1 48 48 LEU HD23 H 1 1.007 0.020 . 1 . . . . . 48 LEU HD2 . 50985 1 473 . 1 . 1 48 48 LEU CA C 13 55.990 0.3 . 1 . . . . . 48 LEU CA . 50985 1 474 . 1 . 1 48 48 LEU CB C 13 42.565 0.3 . 1 . . . . . 48 LEU CB . 50985 1 475 . 1 . 1 48 48 LEU CG C 13 27.004 0.3 . 1 . . . . . 48 LEU CG . 50985 1 476 . 1 . 1 48 48 LEU CD1 C 13 25.833 0.3 . 1 . . . . . 48 LEU CD1 . 50985 1 477 . 1 . 1 48 48 LEU CD2 C 13 23.324 0.3 . 1 . . . . . 48 LEU CD2 . 50985 1 478 . 1 . 1 48 48 LEU N N 15 116.481 0.3 . 1 . . . . . 48 LEU N . 50985 1 479 . 1 . 1 49 49 ILE H H 1 7.428 0.020 . 1 . . . . . 49 ILE H . 50985 1 480 . 1 . 1 49 49 ILE HA H 1 3.728 0.020 . 1 . . . . . 49 ILE HA . 50985 1 481 . 1 . 1 49 49 ILE HB H 1 1.928 0.020 . 1 . . . . . 49 ILE HB . 50985 1 482 . 1 . 1 49 49 ILE HG12 H 1 1.919 0.020 . 1 . . . . . 49 ILE HG12 . 50985 1 483 . 1 . 1 49 49 ILE HG13 H 1 1.919 0.020 . 1 . . . . . 49 ILE HG13 . 50985 1 484 . 1 . 1 49 49 ILE HG21 H 1 0.925 0.020 . 1 . . . . . 49 ILE HG2 . 50985 1 485 . 1 . 1 49 49 ILE HG22 H 1 0.925 0.020 . 1 . . . . . 49 ILE HG2 . 50985 1 486 . 1 . 1 49 49 ILE HG23 H 1 0.925 0.020 . 1 . . . . . 49 ILE HG2 . 50985 1 487 . 1 . 1 49 49 ILE HD11 H 1 0.920 0.020 . 1 . . . . . 49 ILE HD1 . 50985 1 488 . 1 . 1 49 49 ILE HD12 H 1 0.920 0.020 . 1 . . . . . 49 ILE HD1 . 50985 1 489 . 1 . 1 49 49 ILE HD13 H 1 0.920 0.020 . 1 . . . . . 49 ILE HD1 . 50985 1 490 . 1 . 1 49 49 ILE CA C 13 64.928 0.3 . 1 . . . . . 49 ILE CA . 50985 1 491 . 1 . 1 49 49 ILE CB C 13 37.584 0.3 . 1 . . . . . 49 ILE CB . 50985 1 492 . 1 . 1 49 49 ILE CG1 C 13 28.342 0.3 . 1 . . . . . 49 ILE CG1 . 50985 1 493 . 1 . 1 49 49 ILE CG2 C 13 17.136 0.3 . 1 . . . . . 49 ILE CG2 . 50985 1 494 . 1 . 1 49 49 ILE CD1 C 13 12.620 0.3 . 1 . . . . . 49 ILE CD1 . 50985 1 495 . 1 . 1 49 49 ILE N N 15 118.878 0.3 . 1 . . . . . 49 ILE N . 50985 1 496 . 1 . 1 50 50 THR H H 1 7.080 0.020 . 1 . . . . . 50 THR H . 50985 1 497 . 1 . 1 50 50 THR HA H 1 4.355 0.020 . 1 . . . . . 50 THR HA . 50985 1 498 . 1 . 1 50 50 THR HB H 1 4.057 0.020 . 1 . . . . . 50 THR HB . 50985 1 499 . 1 . 1 50 50 THR HG21 H 1 1.062 0.020 . 1 . . . . . 50 THR HG2 . 50985 1 500 . 1 . 1 50 50 THR HG22 H 1 1.062 0.020 . 1 . . . . . 50 THR HG2 . 50985 1 501 . 1 . 1 50 50 THR HG23 H 1 1.062 0.020 . 1 . . . . . 50 THR HG2 . 50985 1 502 . 1 . 1 50 50 THR CA C 13 61.255 0.3 . 1 . . . . . 50 THR CA . 50985 1 503 . 1 . 1 50 50 THR CB C 13 70.177 0.3 . 1 . . . . . 50 THR CB . 50985 1 504 . 1 . 1 50 50 THR CG2 C 13 21.622 0.3 . 1 . . . . . 50 THR CG2 . 50985 1 505 . 1 . 1 50 50 THR N N 15 105.257 0.3 . 1 . . . . . 50 THR N . 50985 1 506 . 1 . 1 51 51 ASN H H 1 7.889 0.020 . 1 . . . . . 51 ASN H . 50985 1 507 . 1 . 1 51 51 ASN HA H 1 4.598 0.020 . 1 . . . . . 51 ASN HA . 50985 1 508 . 1 . 1 51 51 ASN HB2 H 1 1.323 0.020 . 2 . . . . . 51 ASN HB2 . 50985 1 509 . 1 . 1 51 51 ASN HB3 H 1 1.831 0.020 . 2 . . . . . 51 ASN HB3 . 50985 1 510 . 1 . 1 51 51 ASN CA C 13 53.312 0.3 . 1 . . . . . 51 ASN CA . 50985 1 511 . 1 . 1 51 51 ASN CB C 13 41.133 0.3 . 1 . . . . . 51 ASN CB . 50985 1 512 . 1 . 1 51 51 ASN N N 15 121.313 0.3 . 1 . . . . . 51 ASN N . 50985 1 513 . 1 . 1 52 52 LYS H H 1 8.434 0.020 . 1 . . . . . 52 LYS H . 50985 1 514 . 1 . 1 52 52 LYS HA H 1 4.484 0.020 . 1 . . . . . 52 LYS HA . 50985 1 515 . 1 . 1 52 52 LYS HB2 H 1 1.727 0.020 . 2 . . . . . 52 LYS HB2 . 50985 1 516 . 1 . 1 52 52 LYS HB3 H 1 2.112 0.020 . 2 . . . . . 52 LYS HB3 . 50985 1 517 . 1 . 1 52 52 LYS HG2 H 1 1.391 0.020 . 1 . . . . . 52 LYS HG2 . 50985 1 518 . 1 . 1 52 52 LYS HG3 H 1 1.391 0.020 . 1 . . . . . 52 LYS HG3 . 50985 1 519 . 1 . 1 52 52 LYS HD2 H 1 1.683 0.020 . 1 . . . . . 52 LYS HD2 . 50985 1 520 . 1 . 1 52 52 LYS HE2 H 1 2.992 0.020 . 2 . . . . . 52 LYS HE2 . 50985 1 521 . 1 . 1 52 52 LYS HE3 H 1 2.915 0.020 . 2 . . . . . 52 LYS HE3 . 50985 1 522 . 1 . 1 52 52 LYS CA C 13 55.375 0.3 . 1 . . . . . 52 LYS CA . 50985 1 523 . 1 . 1 52 52 LYS CB C 13 32.679 0.3 . 1 . . . . . 52 LYS CB . 50985 1 524 . 1 . 1 52 52 LYS CG C 13 24.885 0.3 . 1 . . . . . 52 LYS CG . 50985 1 525 . 1 . 1 52 52 LYS CD C 13 28.676 0.3 . 1 . . . . . 52 LYS CD . 50985 1 526 . 1 . 1 52 52 LYS CE C 13 42.392 0.3 . 1 . . . . . 52 LYS CE . 50985 1 527 . 1 . 1 52 52 LYS N N 15 117.471 0.3 . 1 . . . . . 52 LYS N . 50985 1 528 . 1 . 1 53 53 LYS H H 1 7.708 0.020 . 1 . . . . . 53 LYS H . 50985 1 529 . 1 . 1 53 53 LYS HA H 1 4.993 0.020 . 1 . . . . . 53 LYS HA . 50985 1 530 . 1 . 1 53 53 LYS HB2 H 1 1.632 0.020 . 2 . . . . . 53 LYS HB2 . 50985 1 531 . 1 . 1 53 53 LYS HB3 H 1 1.457 0.020 . 2 . . . . . 53 LYS HB3 . 50985 1 532 . 1 . 1 53 53 LYS HG2 H 1 1.307 0.020 . 1 . . . . . 53 LYS HG2 . 50985 1 533 . 1 . 1 53 53 LYS HG3 H 1 1.307 0.020 . 1 . . . . . 53 LYS HG3 . 50985 1 534 . 1 . 1 53 53 LYS HD2 H 1 1.660 0.020 . 1 . . . . . 53 LYS HD2 . 50985 1 535 . 1 . 1 53 53 LYS HD3 H 1 1.660 0.020 . 1 . . . . . 53 LYS HD3 . 50985 1 536 . 1 . 1 53 53 LYS HE2 H 1 3.083 0.020 . 2 . . . . . 53 LYS HE2 . 50985 1 537 . 1 . 1 53 53 LYS HE3 H 1 2.999 0.020 . 2 . . . . . 53 LYS HE3 . 50985 1 538 . 1 . 1 53 53 LYS CA C 13 54.289 0.3 . 1 . . . . . 53 LYS CA . 50985 1 539 . 1 . 1 53 53 LYS CB C 13 36.634 0.3 . 1 . . . . . 53 LYS CB . 50985 1 540 . 1 . 1 53 53 LYS CG C 13 24.853 0.3 . 1 . . . . . 53 LYS CG . 50985 1 541 . 1 . 1 53 53 LYS CD C 13 28.922 0.3 . 1 . . . . . 53 LYS CD . 50985 1 542 . 1 . 1 53 53 LYS CE C 13 42.307 0.3 . 1 . . . . . 53 LYS CE . 50985 1 543 . 1 . 1 53 53 LYS N N 15 117.598 0.3 . 1 . . . . . 53 LYS N . 50985 1 544 . 1 . 1 54 54 CYS H H 1 8.574 0.020 . 1 . . . . . 54 CYS H . 50985 1 545 . 1 . 1 54 54 CYS HA H 1 4.145 0.020 . 1 . . . . . 54 CYS HA . 50985 1 546 . 1 . 1 54 54 CYS HB2 H 1 3.182 0.020 . 2 . . . . . 54 CYS HB2 . 50985 1 547 . 1 . 1 54 54 CYS HB3 H 1 3.097 0.020 . 2 . . . . . 54 CYS HB3 . 50985 1 548 . 1 . 1 54 54 CYS CA C 13 57.076 0.3 . 1 . . . . . 54 CYS CA . 50985 1 549 . 1 . 1 54 54 CYS CB C 13 31.520 0.3 . 1 . . . . . 54 CYS CB . 50985 1 550 . 1 . 1 54 54 CYS N N 15 123.498 0.3 . 1 . . . . . 54 CYS N . 50985 1 551 . 1 . 1 55 55 PRO HA H 1 4.084 0.020 . 1 . . . . . 55 PRO HA . 50985 1 552 . 1 . 1 55 55 PRO HB2 H 1 0.964 0.020 . 2 . . . . . 55 PRO HB2 . 50985 1 553 . 1 . 1 55 55 PRO HB3 H 1 1.309 0.020 . 2 . . . . . 55 PRO HB3 . 50985 1 554 . 1 . 1 55 55 PRO HG2 H 1 0.668 0.020 . 1 . . . . . 55 PRO HG2 . 50985 1 555 . 1 . 1 55 55 PRO HG3 H 1 0.668 0.020 . 1 . . . . . 55 PRO HG3 . 50985 1 556 . 1 . 1 55 55 PRO HD2 H 1 3.541 0.020 . 2 . . . . . 55 PRO HD2 . 50985 1 557 . 1 . 1 55 55 PRO HD3 H 1 2.910 0.020 . 2 . . . . . 55 PRO HD3 . 50985 1 558 . 1 . 1 55 55 PRO CA C 13 64.450 0.3 . 1 . . . . . 55 PRO CA . 50985 1 559 . 1 . 1 55 55 PRO CB C 13 31.861 0.3 . 1 . . . . . 55 PRO CB . 50985 1 560 . 1 . 1 55 55 PRO CG C 13 25.426 0.3 . 1 . . . . . 55 PRO CG . 50985 1 561 . 1 . 1 55 55 PRO CD C 13 50.445 0.3 . 1 . . . . . 55 PRO CD . 50985 1 562 . 1 . 1 56 56 ILE H H 1 9.351 0.020 . 1 . . . . . 56 ILE H . 50985 1 563 . 1 . 1 56 56 ILE HA H 1 3.890 0.020 . 1 . . . . . 56 ILE HA . 50985 1 564 . 1 . 1 56 56 ILE HB H 1 1.030 0.020 . 1 . . . . . 56 ILE HB . 50985 1 565 . 1 . 1 56 56 ILE HG12 H 1 1.429 0.020 . 2 . . . . . 56 ILE HG12 . 50985 1 566 . 1 . 1 56 56 ILE HG13 H 1 0.903 0.020 . 2 . . . . . 56 ILE HG13 . 50985 1 567 . 1 . 1 56 56 ILE HG21 H 1 0.421 0.020 . 1 . . . . . 56 ILE HG2 . 50985 1 568 . 1 . 1 56 56 ILE HG22 H 1 0.421 0.020 . 1 . . . . . 56 ILE HG2 . 50985 1 569 . 1 . 1 56 56 ILE HG23 H 1 0.421 0.020 . 1 . . . . . 56 ILE HG2 . 50985 1 570 . 1 . 1 56 56 ILE HD11 H 1 0.597 0.020 . 1 . . . . . 56 ILE HD1 . 50985 1 571 . 1 . 1 56 56 ILE HD12 H 1 0.597 0.020 . 1 . . . . . 56 ILE HD1 . 50985 1 572 . 1 . 1 56 56 ILE HD13 H 1 0.597 0.020 . 1 . . . . . 56 ILE HD1 . 50985 1 573 . 1 . 1 56 56 ILE CA C 13 63.553 0.3 . 1 . . . . . 56 ILE CA . 50985 1 574 . 1 . 1 56 56 ILE CB C 13 39.497 0.3 . 1 . . . . . 56 ILE CB . 50985 1 575 . 1 . 1 56 56 ILE CG1 C 13 28.175 0.3 . 1 . . . . . 56 ILE CG1 . 50985 1 576 . 1 . 1 56 56 ILE CG2 C 13 16.048 0.3 . 1 . . . . . 56 ILE CG2 . 50985 1 577 . 1 . 1 56 56 ILE CD1 C 13 13.038 0.3 . 1 . . . . . 56 ILE CD1 . 50985 1 578 . 1 . 1 56 56 ILE N N 15 120.001 0.3 . 1 . . . . . 56 ILE N . 50985 1 579 . 1 . 1 57 57 CYS H H 1 8.446 0.020 . 1 . . . . . 57 CYS H . 50985 1 580 . 1 . 1 57 57 CYS HA H 1 4.877 0.020 . 1 . . . . . 57 CYS HA . 50985 1 581 . 1 . 1 57 57 CYS HB2 H 1 3.369 0.020 . 2 . . . . . 57 CYS HB2 . 50985 1 582 . 1 . 1 57 57 CYS HB3 H 1 2.822 0.020 . 2 . . . . . 57 CYS HB3 . 50985 1 583 . 1 . 1 57 57 CYS CA C 13 58.957 0.3 . 1 . . . . . 57 CYS CA . 50985 1 584 . 1 . 1 57 57 CYS CB C 13 31.861 0.3 . 1 . . . . . 57 CYS CB . 50985 1 585 . 1 . 1 57 57 CYS N N 15 118.705 0.3 . 1 . . . . . 57 CYS N . 50985 1 586 . 1 . 1 58 58 ARG H H 1 7.942 0.020 . 1 . . . . . 58 ARG H . 50985 1 587 . 1 . 1 58 58 ARG HA H 1 4.093 0.020 . 1 . . . . . 58 ARG HA . 50985 1 588 . 1 . 1 58 58 ARG HB2 H 1 2.116 0.020 . 1 . . . . . 58 ARG HB2 . 50985 1 589 . 1 . 1 58 58 ARG HB3 H 1 2.116 0.020 . 1 . . . . . 58 ARG HB3 . 50985 1 590 . 1 . 1 58 58 ARG HG2 H 1 1.534 0.020 . 1 . . . . . 58 ARG HG2 . 50985 1 591 . 1 . 1 58 58 ARG HG3 H 1 1.534 0.020 . 1 . . . . . 58 ARG HG3 . 50985 1 592 . 1 . 1 58 58 ARG HD2 H 1 3.204 0.020 . 1 . . . . . 58 ARG HD2 . 50985 1 593 . 1 . 1 58 58 ARG HD3 H 1 3.204 0.020 . 1 . . . . . 58 ARG HD3 . 50985 1 594 . 1 . 1 58 58 ARG CA C 13 57.980 0.3 . 1 . . . . . 58 ARG CA . 50985 1 595 . 1 . 1 58 58 ARG CB C 13 26.612 0.3 . 1 . . . . . 58 ARG CB . 50985 1 596 . 1 . 1 58 58 ARG CG C 13 27.526 0.3 . 1 . . . . . 58 ARG CG . 50985 1 597 . 1 . 1 58 58 ARG CD C 13 42.860 0.3 . 1 . . . . . 58 ARG CD . 50985 1 598 . 1 . 1 58 58 ARG N N 15 115.601 0.3 . 1 . . . . . 58 ARG N . 50985 1 599 . 1 . 1 59 59 VAL H H 1 7.710 0.020 . 1 . . . . . 59 VAL H . 50985 1 600 . 1 . 1 59 59 VAL HA H 1 4.153 0.020 . 1 . . . . . 59 VAL HA . 50985 1 601 . 1 . 1 59 59 VAL HB H 1 2.072 0.020 . 1 . . . . . 59 VAL HB . 50985 1 602 . 1 . 1 59 59 VAL HG11 H 1 1.079 0.020 . 1 . . . . . 59 VAL HG1 . 50985 1 603 . 1 . 1 59 59 VAL HG12 H 1 1.079 0.020 . 1 . . . . . 59 VAL HG1 . 50985 1 604 . 1 . 1 59 59 VAL HG13 H 1 1.079 0.020 . 1 . . . . . 59 VAL HG1 . 50985 1 605 . 1 . 1 59 59 VAL HG21 H 1 1.079 0.020 . 1 . . . . . 59 VAL HG2 . 50985 1 606 . 1 . 1 59 59 VAL HG22 H 1 1.079 0.020 . 1 . . . . . 59 VAL HG2 . 50985 1 607 . 1 . 1 59 59 VAL HG23 H 1 1.079 0.020 . 1 . . . . . 59 VAL HG2 . 50985 1 608 . 1 . 1 59 59 VAL CA C 13 63.046 0.3 . 1 . . . . . 59 VAL CA . 50985 1 609 . 1 . 1 59 59 VAL CB C 13 32.339 0.3 . 1 . . . . . 59 VAL CB . 50985 1 610 . 1 . 1 59 59 VAL CG1 C 13 22.822 0.3 . 1 . . . . . 59 VAL CG1 . 50985 1 611 . 1 . 1 59 59 VAL CG2 C 13 21.233 0.3 . 1 . . . . . 59 VAL CG2 . 50985 1 612 . 1 . 1 59 59 VAL N N 15 119.774 0.3 . 1 . . . . . 59 VAL N . 50985 1 613 . 1 . 1 60 60 ASP H H 1 8.536 0.020 . 1 . . . . . 60 ASP H . 50985 1 614 . 1 . 1 60 60 ASP HA H 1 4.589 0.020 . 1 . . . . . 60 ASP HA . 50985 1 615 . 1 . 1 60 60 ASP HB2 H 1 2.688 0.020 . 2 . . . . . 60 ASP HB2 . 50985 1 616 . 1 . 1 60 60 ASP HB3 H 1 2.499 0.020 . 2 . . . . . 60 ASP HB3 . 50985 1 617 . 1 . 1 60 60 ASP CA C 13 55.990 0.3 . 1 . . . . . 60 ASP CA . 50985 1 618 . 1 . 1 60 60 ASP CB C 13 41.270 0.3 . 1 . . . . . 60 ASP CB . 50985 1 619 . 1 . 1 60 60 ASP N N 15 126.486 0.3 . 1 . . . . . 60 ASP N . 50985 1 620 . 1 . 1 61 61 ILE H H 1 8.337 0.020 . 1 . . . . . 61 ILE H . 50985 1 621 . 1 . 1 61 61 ILE HA H 1 4.015 0.020 . 1 . . . . . 61 ILE HA . 50985 1 622 . 1 . 1 61 61 ILE HB H 1 1.723 0.020 . 1 . . . . . 61 ILE HB . 50985 1 623 . 1 . 1 61 61 ILE HG12 H 1 1.579 0.020 . 1 . . . . . 61 ILE HG12 . 50985 1 624 . 1 . 1 61 61 ILE HG13 H 1 1.579 0.020 . 1 . . . . . 61 ILE HG13 . 50985 1 625 . 1 . 1 61 61 ILE HG21 H 1 0.964 0.020 . 1 . . . . . 61 ILE HG2 . 50985 1 626 . 1 . 1 61 61 ILE HG22 H 1 0.964 0.020 . 1 . . . . . 61 ILE HG2 . 50985 1 627 . 1 . 1 61 61 ILE HG23 H 1 0.964 0.020 . 1 . . . . . 61 ILE HG2 . 50985 1 628 . 1 . 1 61 61 ILE HD11 H 1 0.808 0.020 . 1 . . . . . 61 ILE HD1 . 50985 1 629 . 1 . 1 61 61 ILE HD12 H 1 0.808 0.020 . 1 . . . . . 61 ILE HD1 . 50985 1 630 . 1 . 1 61 61 ILE HD13 H 1 0.808 0.020 . 1 . . . . . 61 ILE HD1 . 50985 1 631 . 1 . 1 61 61 ILE CA C 13 62.467 0.3 . 1 . . . . . 61 ILE CA . 50985 1 632 . 1 . 1 61 61 ILE CB C 13 38.338 0.3 . 1 . . . . . 61 ILE CB . 50985 1 633 . 1 . 1 61 61 ILE CG1 C 13 27.840 0.3 . 1 . . . . . 61 ILE CG1 . 50985 1 634 . 1 . 1 61 61 ILE CG2 C 13 18.223 0.3 . 1 . . . . . 61 ILE CG2 . 50985 1 635 . 1 . 1 61 61 ILE CD1 C 13 14.125 0.3 . 1 . . . . . 61 ILE CD1 . 50985 1 636 . 1 . 1 61 61 ILE N N 15 122.295 0.3 . 1 . . . . . 61 ILE N . 50985 1 637 . 1 . 1 62 62 GLU H H 1 8.449 0.020 . 1 . . . . . 62 GLU H . 50985 1 638 . 1 . 1 62 62 GLU HA H 1 4.347 0.020 . 1 . . . . . 62 GLU HA . 50985 1 639 . 1 . 1 62 62 GLU HB2 H 1 1.895 0.020 . 2 . . . . . 62 GLU HB2 . 50985 1 640 . 1 . 1 62 62 GLU HB3 H 1 2.051 0.020 . 2 . . . . . 62 GLU HB3 . 50985 1 641 . 1 . 1 62 62 GLU HG2 H 1 2.210 0.020 . 2 . . . . . 62 GLU HG2 . 50985 1 642 . 1 . 1 62 62 GLU HG3 H 1 2.045 0.020 . 2 . . . . . 62 GLU HG3 . 50985 1 643 . 1 . 1 62 62 GLU CA C 13 55.664 0.3 . 1 . . . . . 62 GLU CA . 50985 1 644 . 1 . 1 62 62 GLU CB C 13 30.634 0.3 . 1 . . . . . 62 GLU CB . 50985 1 645 . 1 . 1 62 62 GLU CG C 13 36.315 0.3 . 1 . . . . . 62 GLU CG . 50985 1 646 . 1 . 1 62 62 GLU N N 15 121.841 0.3 . 1 . . . . . 62 GLU N . 50985 1 647 . 1 . 1 63 63 ALA H H 1 8.252 0.020 . 1 . . . . . 63 ALA H . 50985 1 648 . 1 . 1 63 63 ALA HA H 1 4.291 0.020 . 1 . . . . . 63 ALA HA . 50985 1 649 . 1 . 1 63 63 ALA HB1 H 1 1.384 0.020 . 1 . . . . . 63 ALA HB . 50985 1 650 . 1 . 1 63 63 ALA HB2 H 1 1.384 0.020 . 1 . . . . . 63 ALA HB . 50985 1 651 . 1 . 1 63 63 ALA HB3 H 1 1.384 0.020 . 1 . . . . . 63 ALA HB . 50985 1 652 . 1 . 1 63 63 ALA CA C 13 52.371 0.3 . 1 . . . . . 63 ALA CA . 50985 1 653 . 1 . 1 63 63 ALA CB C 13 19.317 0.3 . 1 . . . . . 63 ALA CB . 50985 1 654 . 1 . 1 63 63 ALA N N 15 125.014 0.3 . 1 . . . . . 63 ALA N . 50985 1 655 . 1 . 1 64 64 GLN H H 1 8.408 0.020 . 1 . . . . . 64 GLN H . 50985 1 656 . 1 . 1 64 64 GLN HA H 1 4.420 0.020 . 1 . . . . . 64 GLN HA . 50985 1 657 . 1 . 1 64 64 GLN HB2 H 1 2.058 0.020 . 2 . . . . . 64 GLN HB2 . 50985 1 658 . 1 . 1 64 64 GLN HB3 H 1 1.960 0.020 . 2 . . . . . 64 GLN HB3 . 50985 1 659 . 1 . 1 64 64 GLN HG2 H 1 2.051 0.020 . 1 . . . . . 64 GLN HG2 . 50985 1 660 . 1 . 1 64 64 GLN HG3 H 1 2.051 0.020 . 1 . . . . . 64 GLN HG3 . 50985 1 661 . 1 . 1 64 64 GLN CA C 13 55.266 0.3 . 1 . . . . . 64 GLN CA . 50985 1 662 . 1 . 1 64 64 GLN CB C 13 29.612 0.3 . 1 . . . . . 64 GLN CB . 50985 1 663 . 1 . 1 64 64 GLN CG C 13 36.055 0.3 . 1 . . . . . 64 GLN CG . 50985 1 664 . 1 . 1 64 64 GLN N N 15 119.748 0.3 . 1 . . . . . 64 GLN N . 50985 1 665 . 1 . 1 65 65 LEU H H 1 8.406 0.020 . 1 . . . . . 65 LEU H . 50985 1 666 . 1 . 1 65 65 LEU HA H 1 4.612 0.020 . 1 . . . . . 65 LEU HA . 50985 1 667 . 1 . 1 65 65 LEU HB2 H 1 1.716 0.020 . 2 . . . . . 65 LEU HB2 . 50985 1 668 . 1 . 1 65 65 LEU HB3 H 1 1.596 0.020 . 2 . . . . . 65 LEU HB3 . 50985 1 669 . 1 . 1 65 65 LEU HG H 1 1.697 0.020 . 1 . . . . . 65 LEU HG . 50985 1 670 . 1 . 1 65 65 LEU CA C 13 53.023 0.3 . 1 . . . . . 65 LEU CA . 50985 1 671 . 1 . 1 65 65 LEU CB C 13 41.474 0.3 . 1 . . . . . 65 LEU CB . 50985 1 672 . 1 . 1 65 65 LEU CG C 13 27.004 0.3 . 1 . . . . . 65 LEU CG . 50985 1 673 . 1 . 1 65 65 LEU CD1 C 13 25.030 0.3 . 1 . . . . . 65 LEU CD1 . 50985 1 674 . 1 . 1 65 65 LEU CD2 C 13 23.125 0.3 . 1 . . . . . 65 LEU CD2 . 50985 1 675 . 1 . 1 65 65 LEU N N 15 125.425 0.3 . 1 . . . . . 65 LEU N . 50985 1 676 . 1 . 1 66 66 PRO HA H 1 4.442 0.020 . 1 . . . . . 66 PRO HA . 50985 1 677 . 1 . 1 66 66 PRO HB2 H 1 2.325 0.020 . 2 . . . . . 66 PRO HB2 . 50985 1 678 . 1 . 1 66 66 PRO HB3 H 1 1.950 0.020 . 2 . . . . . 66 PRO HB3 . 50985 1 679 . 1 . 1 66 66 PRO HG2 H 1 2.055 0.020 . 1 . . . . . 66 PRO HG2 . 50985 1 680 . 1 . 1 66 66 PRO HG3 H 1 2.055 0.020 . 1 . . . . . 66 PRO HG3 . 50985 1 681 . 1 . 1 66 66 PRO HD2 H 1 3.862 0.020 . 2 . . . . . 66 PRO HD2 . 50985 1 682 . 1 . 1 66 66 PRO HD3 H 1 3.670 0.020 . 2 . . . . . 66 PRO HD3 . 50985 1 683 . 1 . 1 66 66 PRO CA C 13 63.016 0.3 . 1 . . . . . 66 PRO CA . 50985 1 684 . 1 . 1 66 66 PRO CB C 13 31.930 0.3 . 1 . . . . . 66 PRO CB . 50985 1 685 . 1 . 1 66 66 PRO CG C 13 27.314 0.3 . 1 . . . . . 66 PRO CG . 50985 1 686 . 1 . 1 66 66 PRO CD C 13 50.550 0.3 . 1 . . . . . 66 PRO CD . 50985 1 687 . 1 . 1 67 67 SER H H 1 8.397 0.020 . 1 . . . . . 67 SER H . 50985 1 688 . 1 . 1 67 67 SER HA H 1 4.476 0.020 . 1 . . . . . 67 SER HA . 50985 1 689 . 1 . 1 67 67 SER HB2 H 1 3.894 0.020 . 1 . . . . . 67 SER HB2 . 50985 1 690 . 1 . 1 67 67 SER HB3 H 1 3.894 0.020 . 1 . . . . . 67 SER HB3 . 50985 1 691 . 1 . 1 67 67 SER CA C 13 58.270 0.3 . 1 . . . . . 67 SER CA . 50985 1 692 . 1 . 1 67 67 SER CB C 13 63.904 0.3 . 1 . . . . . 67 SER CB . 50985 1 693 . 1 . 1 67 67 SER N N 15 115.992 0.3 . 1 . . . . . 67 SER N . 50985 1 694 . 1 . 1 68 68 GLU H H 1 8.456 0.020 . 1 . . . . . 68 GLU H . 50985 1 695 . 1 . 1 68 68 GLU HA H 1 4.395 0.020 . 1 . . . . . 68 GLU HA . 50985 1 696 . 1 . 1 68 68 GLU HB2 H 1 1.951 0.020 . 2 . . . . . 68 GLU HB2 . 50985 1 697 . 1 . 1 68 68 GLU HB3 H 1 2.085 0.020 . 2 . . . . . 68 GLU HB3 . 50985 1 698 . 1 . 1 68 68 GLU CA C 13 56.533 0.3 . 1 . . . . . 68 GLU CA . 50985 1 699 . 1 . 1 68 68 GLU CB C 13 30.498 0.3 . 1 . . . . . 68 GLU CB . 50985 1 700 . 1 . 1 68 68 GLU CG C 13 36.203 0.3 . 1 . . . . . 68 GLU CG . 50985 1 701 . 1 . 1 68 68 GLU N N 15 123.104 0.3 . 1 . . . . . 68 GLU N . 50985 1 702 . 1 . 1 69 69 SER H H 1 7.984 0.020 . 1 . . . . . 69 SER H . 50985 1 703 . 1 . 1 69 69 SER HA H 1 4.238 0.020 . 1 . . . . . 69 SER HA . 50985 1 704 . 1 . 1 69 69 SER HB2 H 1 3.844 0.020 . 1 . . . . . 69 SER HB2 . 50985 1 705 . 1 . 1 69 69 SER HB3 H 1 3.844 0.020 . 1 . . . . . 69 SER HB3 . 50985 1 706 . 1 . 1 69 69 SER CA C 13 59.934 0.3 . 1 . . . . . 69 SER CA . 50985 1 707 . 1 . 1 69 69 SER CB C 13 64.791 0.3 . 1 . . . . . 69 SER CB . 50985 1 708 . 1 . 1 69 69 SER N N 15 121.923 0.3 . 1 . . . . . 69 SER N . 50985 1 stop_ save_