data_17023 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17023 _Entry.Title ; Solution NMR structure of the ZNF216 A20 zinc finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-28 _Entry.Accession_date 2010-06-28 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of ZNF216 residues 1 to 60 containing an A20 type zinc finger from residues 14 to 45, the termini are disordered.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Thomas Garner . P. . 17023 2 Jed Long . E. . 17023 3 Mark Searle . S. . 17023 4 Robert Layfield . . . 17023 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' . 17023 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Searle Group, Chemistry Dept, University of Nottingham' . 17023 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'A20 domain' . 17023 Atrogene . 17023 'zinc finger' . 17023 ZNF216 . 17023 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17023 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 17023 '15N chemical shifts' 65 17023 '1H chemical shifts' 276 17023 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 . . 2012-08-02 2010-06-28 original author . 17023 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17024 'Znf_A20:ubiquitin complex' 17023 PDB 2KZY 'BMRB Entry Tracking System' 17023 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17023 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Co-localisation of ubiquitin receptors ZNF216 and p62 in a ubiquitin-mediated ternary complex' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thomas Garner . P. . 17023 1 2 Joanna Strachan . . . 17023 1 3 Jed Long . E. . 17023 1 4 Robert Layfield . . . 17023 1 5 Mark Searle . S. . 17023 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR Structural analysis' 17023 1 'ubiquitin binding domains' 17023 1 ZNF216 17023 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17023 _Assembly.ID 1 _Assembly.Name Znf_A20 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 6594.58 _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 Znf_A20 1 $ZNF216-A20 A . yes native yes no . . . 17023 1 2 Zinc 2 $ZN A . no native no no . . . 17023 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 16 16 SG . 2 Zinc 2 ZN 1 1 ZN . . . . . . . . . . 17023 1 2 coordination single . 1 . 1 CYS 20 20 SG . 2 Zinc 2 ZN 1 1 ZN . . . . . . . . . . 17023 1 3 coordination single . 1 . 1 CYS 32 32 SG . 2 Zinc 2 ZN 1 1 ZN . . . . . . . . . . 17023 1 4 coordination single . 1 . 1 CYS 35 35 SG . 2 Zinc 2 ZN 1 1 ZN . . . . . . . . . . 17023 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 32 32 HG . 32 CYS HG 17023 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 17023 1 . . 1 1 CYS 16 16 HG . 16 CYS HG 17023 1 . . 1 1 CYS 20 20 HG . 20 CYS HG 17023 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZNF216-A20 _Entity.Sf_category entity _Entity.Sf_framecode ZNF216-A20 _Entity.Entry_ID 17023 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZNF216-A20 _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 ; GSMAQETNQTPGPMLCSTGC GFYGNPRTNGMCSVCYKEHL QRQQNSGRMSPMGTASGSNS PT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues G1 amd S2 are non native artifacts from cloning' _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment A20 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6529.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17024 . ZNF216-A20 . . . . . 100.00 62 100.00 100.00 1.10e-35 . . . . 17023 1 2 no PDB 2KZY . "Solution Nmr Structure Of The Znf216 A20 Zinc Finger" . . . . . 100.00 62 100.00 100.00 1.10e-35 . . . . 17023 1 3 no PDB 2L00 . "Solution Structure Of The Non-Covalent Complex Of The Znf216 A20 Domain With Ubiquitin" . . . . . 100.00 62 100.00 100.00 1.10e-35 . . . . 17023 1 4 no DBJ BAC36321 . "unnamed protein product [Mus musculus]" . . . . . 96.77 213 100.00 100.00 1.88e-34 . . . . 17023 1 5 no DBJ BAF83538 . "unnamed protein product [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 6 no DBJ BAG73932 . "zinc finger, AN1-type domain containing protein 5 [synthetic construct]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 7 no GB AAC42600 . "zinc finger protein ZNF216 [Mus musculus]" . . . . . 96.77 213 100.00 100.00 1.88e-34 . . . . 17023 1 8 no GB AAC42601 . "zinc finger protein 216 splice variant 1 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 9 no GB AAC42602 . "zinc finger protein 216 splice variant 2 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 10 no GB AAC61801 . "zinc finger protein 216 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 11 no GB AAH11018 . "Zinc finger, AN1-type domain 5 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 12 no REF NP_001090975 . "AN1-type zinc finger protein 5 [Sus scrofa]" . . . . . 96.77 213 100.00 100.00 1.73e-34 . . . . 17023 1 13 no REF NP_001094515 . "AN1-type zinc finger protein 5 [Bos taurus]" . . . . . 96.77 213 100.00 100.00 1.77e-34 . . . . 17023 1 14 no REF NP_001095890 . "AN1-type zinc finger protein 5 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 15 no REF NP_001095891 . "AN1-type zinc finger protein 5 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 16 no REF NP_001157077 . "AN1-type zinc finger protein 5 [Ovis aries]" . . . . . 96.77 213 100.00 100.00 1.77e-34 . . . . 17023 1 17 no SP B5DF11 . "RecName: Full=AN1-type zinc finger protein 5; AltName: Full=Zinc finger protein 216" . . . . . 96.77 213 100.00 100.00 1.57e-34 . . . . 17023 1 18 no SP O76080 . "RecName: Full=AN1-type zinc finger protein 5; AltName: Full=Zinc finger A20 domain-containing protein 2; AltName: Full=Zinc fin" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17023 1 19 no SP O88878 . "RecName: Full=AN1-type zinc finger protein 5; AltName: Full=Zinc finger A20 domain-containing protein 2; AltName: Full=Zinc fin" . . . . . 96.77 213 100.00 100.00 1.88e-34 . . . . 17023 1 20 no TPG DAA26877 . "TPA: zinc finger, AN1-type domain 5 [Bos taurus]" . . . . . 96.77 213 100.00 100.00 1.77e-34 . . . . 17023 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proteasomal shuttling protein' 17023 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17023 1 2 . SER . 17023 1 3 . MET . 17023 1 4 . ALA . 17023 1 5 . GLN . 17023 1 6 . GLU . 17023 1 7 . THR . 17023 1 8 . ASN . 17023 1 9 . GLN . 17023 1 10 . THR . 17023 1 11 . PRO . 17023 1 12 . GLY . 17023 1 13 . PRO . 17023 1 14 . MET . 17023 1 15 . LEU . 17023 1 16 . CYS . 17023 1 17 . SER . 17023 1 18 . THR . 17023 1 19 . GLY . 17023 1 20 . CYS . 17023 1 21 . GLY . 17023 1 22 . PHE . 17023 1 23 . TYR . 17023 1 24 . GLY . 17023 1 25 . ASN . 17023 1 26 . PRO . 17023 1 27 . ARG . 17023 1 28 . THR . 17023 1 29 . ASN . 17023 1 30 . GLY . 17023 1 31 . MET . 17023 1 32 . CYS . 17023 1 33 . SER . 17023 1 34 . VAL . 17023 1 35 . CYS . 17023 1 36 . TYR . 17023 1 37 . LYS . 17023 1 38 . GLU . 17023 1 39 . HIS . 17023 1 40 . LEU . 17023 1 41 . GLN . 17023 1 42 . ARG . 17023 1 43 . GLN . 17023 1 44 . GLN . 17023 1 45 . ASN . 17023 1 46 . SER . 17023 1 47 . GLY . 17023 1 48 . ARG . 17023 1 49 . MET . 17023 1 50 . SER . 17023 1 51 . PRO . 17023 1 52 . MET . 17023 1 53 . GLY . 17023 1 54 . THR . 17023 1 55 . ALA . 17023 1 56 . SER . 17023 1 57 . GLY . 17023 1 58 . SER . 17023 1 59 . ASN . 17023 1 60 . SER . 17023 1 61 . PRO . 17023 1 62 . THR . 17023 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 17023 1 . SER 2 2 17023 1 . MET 3 3 17023 1 . ALA 4 4 17023 1 . GLN 5 5 17023 1 . GLU 6 6 17023 1 . THR 7 7 17023 1 . ASN 8 8 17023 1 . GLN 9 9 17023 1 . THR 10 10 17023 1 . PRO 11 11 17023 1 . GLY 12 12 17023 1 . PRO 13 13 17023 1 . MET 14 14 17023 1 . LEU 15 15 17023 1 . CYS 16 16 17023 1 . SER 17 17 17023 1 . THR 18 18 17023 1 . GLY 19 19 17023 1 . CYS 20 20 17023 1 . GLY 21 21 17023 1 . PHE 22 22 17023 1 . TYR 23 23 17023 1 . GLY 24 24 17023 1 . ASN 25 25 17023 1 . PRO 26 26 17023 1 . ARG 27 27 17023 1 . THR 28 28 17023 1 . ASN 29 29 17023 1 . GLY 30 30 17023 1 . MET 31 31 17023 1 . CYS 32 32 17023 1 . SER 33 33 17023 1 . VAL 34 34 17023 1 . CYS 35 35 17023 1 . TYR 36 36 17023 1 . LYS 37 37 17023 1 . GLU 38 38 17023 1 . HIS 39 39 17023 1 . LEU 40 40 17023 1 . GLN 41 41 17023 1 . ARG 42 42 17023 1 . GLN 43 43 17023 1 . GLN 44 44 17023 1 . ASN 45 45 17023 1 . SER 46 46 17023 1 . GLY 47 47 17023 1 . ARG 48 48 17023 1 . MET 49 49 17023 1 . SER 50 50 17023 1 . PRO 51 51 17023 1 . MET 52 52 17023 1 . GLY 53 53 17023 1 . THR 54 54 17023 1 . ALA 55 55 17023 1 . SER 56 56 17023 1 . GLY 57 57 17023 1 . SER 58 58 17023 1 . ASN 59 59 17023 1 . SER 60 60 17023 1 . PRO 61 61 17023 1 . THR 62 62 17023 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17023 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17023 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 17023 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ZNF216-A20 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . Zfand5 . ; Synonyms:Zfp216_predicted ORF Names:rCG_48158 Evidence for protein confirmed at transcript level ; . . 17023 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 17023 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ZNF216-A20 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'c41 (DE3)' . . . . . . . . . . . . . . . PGEX-4T1 . . . 'Expresed as an N-terminal GST fusion seperated by a thrombin cleavage site' . . 17023 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 17023 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17023 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17023 ZN [Zn++] SMILES CACTVS 3.341 17023 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17023 ZN [Zn+2] SMILES ACDLabs 10.04 17023 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17023 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17023 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 17023 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17023 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17023 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17023 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50uM ZnCl2 used 0.1 mM DSS used for referencing ; _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 ZNF216-A20 'natural abundance' . . 1 $ZNF216-A20 . . 1 . . mM 0.1 . . . 17023 1 2 ZnCl2 'natural abundance' . . 2 $ZN . . 50 . . uM 0.2 . . . 17023 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17023 1 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17023 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17023 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17023 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17023 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17023 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 uM ZnCl2 added 0.1 mM DSS added ; _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 ZNF216-A20 '[U-100% 15N]' . . 1 $ZNF216-A20 . . 1.2 . . mM 0.1 . . . 17023 2 2 ZnCl2 'natural abundance' . . 2 $ZN . . 50 . . uM 0.2 . . . 17023 2 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17023 2 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17023 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17023 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17023 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17023 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17023 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 uM ZnCl2 added 0.1 mM DSS used ; _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 ZNF216-A20 '[U-100% 13C; U-100% 15N]' . . 1 $ZNF216-A20 . . 0.8 . . mM 0.2 . . . 17023 3 2 ZnCl2 'natural abundance' . . 2 $ZN . . 50 . . uM 0.2 . . . 17023 3 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17023 3 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17023 3 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17023 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17023 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17023 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17023 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample 2 soaked in 7% PAG gel' _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 ZNF216-A20 '[U-100% 15N]' . . 1 $ZNF216-A20 . . 1.2 . . mM 0.1 . . . 17023 4 2 ZnCl2 'natural abundance' . . 2 $ZN . . 50 . . uM 0.2 . . . 17023 4 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17023 4 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17023 4 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17023 4 6 'Polyacrylamide gel' 'natural abundance' . . . . . . 7 . . % 0.7 . . . 17023 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17023 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17023 4 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 17023 _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' 0.1 0.01 M 17023 1 pH 7 0.1 pH 17023 1 pressure 1 . atm 17023 1 temperature 298 0.05 K 17023 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17023 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17023 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17023 1 processing 17023 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17023 _Software.ID 2 _Software.Name CcpNMR _Software.Version 1.1.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17023 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17023 2 'chemical shift calculation' 17023 2 'data analysis' 17023 2 'peak picking' 17023 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17023 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17023 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17023 3 'structure solution' 17023 3 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 17023 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI Probe, triple axis gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17023 _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 'TXI Probe, triple axis gradients' . . 17023 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 17023 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 9 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17023 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 17023 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17023 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17023 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17023 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 17023 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Standard deviation across measurements' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17023 1 2 '2D 1H-1H TOCSY' . . . 17023 1 3 '2D 1H-15N HSQC' . . . 17023 1 6 '3D CBCA(CO)NH' . . . 17023 1 7 '3D HNCACB' . . . 17023 1 8 '3D HNCO' . . . 17023 1 9 '3D HN(CA)CO' . . . 17023 1 11 '3D HCCH-TOCSY' . . . 17023 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 2 $CcpNMR . . 17023 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 CA C 13 45.408 0.150 . 1 . . . . 1 GLY CA . 17023 1 2 . 1 1 2 2 SER C C 13 176.198 0.150 . 1 . . . . 2 SER C . 17023 1 3 . 1 1 2 2 SER CA C 13 58.354 0.025 . 1 . . . . 2 SER CA . 17023 1 4 . 1 1 2 2 SER CB C 13 63.877 0.169 . 1 . . . . 2 SER CB . 17023 1 5 . 1 1 3 3 MET H H 1 8.570 0.007 . 1 . . . . 3 MET H . 17023 1 6 . 1 1 3 3 MET C C 13 176.118 0.054 . 1 . . . . 3 MET C . 17023 1 7 . 1 1 3 3 MET CA C 13 55.752 0.017 . 1 . . . . 3 MET CA . 17023 1 8 . 1 1 3 3 MET CB C 13 32.636 0.092 . 1 . . . . 3 MET CB . 17023 1 9 . 1 1 3 3 MET N N 15 122.586 0.040 . 1 . . . . 3 MET N . 17023 1 10 . 1 1 4 4 ALA H H 1 8.318 0.048 . 1 . . . . 4 ALA H . 17023 1 11 . 1 1 4 4 ALA HA H 1 4.295 0.001 . 1 . . . . 4 ALA HA . 17023 1 12 . 1 1 4 4 ALA HB1 H 1 1.402 0.022 . 1 . . . . 4 ALA HB1 . 17023 1 13 . 1 1 4 4 ALA HB2 H 1 1.402 0.022 . 1 . . . . 4 ALA HB2 . 17023 1 14 . 1 1 4 4 ALA HB3 H 1 1.402 0.022 . 1 . . . . 4 ALA HB3 . 17023 1 15 . 1 1 4 4 ALA C C 13 177.661 0.036 . 1 . . . . 4 ALA C . 17023 1 16 . 1 1 4 4 ALA CA C 13 52.839 0.065 . 1 . . . . 4 ALA CA . 17023 1 17 . 1 1 4 4 ALA CB C 13 18.955 0.080 . 1 . . . . 4 ALA CB . 17023 1 18 . 1 1 4 4 ALA N N 15 125.282 0.511 . 1 . . . . 4 ALA N . 17023 1 19 . 1 1 5 5 GLN H H 1 8.287 0.044 . 1 . . . . 5 GLN H . 17023 1 20 . 1 1 5 5 GLN HE21 H 1 6.859 0.005 . 1 . . . . 5 GLN HE21 . 17023 1 21 . 1 1 5 5 GLN HE22 H 1 7.537 0.006 . 1 . . . . 5 GLN HE22 . 17023 1 22 . 1 1 5 5 GLN C C 13 176.138 0.033 . 1 . . . . 5 GLN C . 17023 1 23 . 1 1 5 5 GLN CA C 13 56.176 0.100 . 1 . . . . 5 GLN CA . 17023 1 24 . 1 1 5 5 GLN CB C 13 29.549 0.078 . 1 . . . . 5 GLN CB . 17023 1 25 . 1 1 5 5 GLN N N 15 119.378 0.508 . 1 . . . . 5 GLN N . 17023 1 26 . 1 1 5 5 GLN NE2 N 15 112.393 0.001 . 1 . . . . 5 GLN NE2 . 17023 1 27 . 1 1 6 6 GLU H H 1 8.447 0.044 . 1 . . . . 6 GLU H . 17023 1 28 . 1 1 6 6 GLU C C 13 176.797 0.011 . 1 . . . . 6 GLU C . 17023 1 29 . 1 1 6 6 GLU CA C 13 56.747 0.080 . 1 . . . . 6 GLU CA . 17023 1 30 . 1 1 6 6 GLU CB C 13 30.189 0.046 . 1 . . . . 6 GLU CB . 17023 1 31 . 1 1 6 6 GLU N N 15 122.225 0.510 . 1 . . . . 6 GLU N . 17023 1 32 . 1 1 7 7 THR H H 1 8.184 0.043 . 1 . . . . 7 THR H . 17023 1 33 . 1 1 7 7 THR HA H 1 4.355 0.001 . 1 . . . . 7 THR HA . 17023 1 34 . 1 1 7 7 THR HB H 1 4.148 0.020 . 1 . . . . 7 THR HB . 17023 1 35 . 1 1 7 7 THR C C 13 174.394 0.025 . 1 . . . . 7 THR C . 17023 1 36 . 1 1 7 7 THR CA C 13 61.958 0.087 . 1 . . . . 7 THR CA . 17023 1 37 . 1 1 7 7 THR CB C 13 69.848 0.065 . 1 . . . . 7 THR CB . 17023 1 38 . 1 1 7 7 THR N N 15 114.748 0.482 . 1 . . . . 7 THR N . 17023 1 39 . 1 1 8 8 ASN H H 1 8.450 0.045 . 1 . . . . 8 ASN H . 17023 1 40 . 1 1 8 8 ASN HA H 1 4.725 0.020 . 1 . . . . 8 ASN HA . 17023 1 41 . 1 1 8 8 ASN HB2 H 1 2.790 0.029 . 2 . . . . 8 ASN HB2 . 17023 1 42 . 1 1 8 8 ASN HB3 H 1 2.894 0.004 . 2 . . . . 8 ASN HB3 . 17023 1 43 . 1 1 8 8 ASN HD21 H 1 6.947 0.006 . 1 . . . . 8 ASN HD21 . 17023 1 44 . 1 1 8 8 ASN HD22 H 1 7.624 0.004 . 1 . . . . 8 ASN HD22 . 17023 1 45 . 1 1 8 8 ASN C C 13 175.024 0.150 . 1 . . . . 8 ASN C . 17023 1 46 . 1 1 8 8 ASN CA C 13 53.732 0.167 . 1 . . . . 8 ASN CA . 17023 1 47 . 1 1 8 8 ASN CB C 13 38.900 0.133 . 1 . . . . 8 ASN CB . 17023 1 48 . 1 1 8 8 ASN N N 15 120.826 0.460 . 1 . . . . 8 ASN N . 17023 1 49 . 1 1 8 8 ASN ND2 N 15 112.604 0.221 . 1 . . . . 8 ASN ND2 . 17023 1 50 . 1 1 9 9 GLN H H 1 8.343 0.041 . 1 . . . . 9 GLN H . 17023 1 51 . 1 1 9 9 GLN HE21 H 1 6.838 0.005 . 1 . . . . 9 GLN HE21 . 17023 1 52 . 1 1 9 9 GLN HE22 H 1 7.514 0.005 . 1 . . . . 9 GLN HE22 . 17023 1 53 . 1 1 9 9 GLN C C 13 175.877 0.004 . 1 . . . . 9 GLN C . 17023 1 54 . 1 1 9 9 GLN CA C 13 55.909 0.085 . 1 . . . . 9 GLN CA . 17023 1 55 . 1 1 9 9 GLN CB C 13 29.524 0.098 . 1 . . . . 9 GLN CB . 17023 1 56 . 1 1 9 9 GLN N N 15 120.651 0.422 . 1 . . . . 9 GLN N . 17023 1 57 . 1 1 9 9 GLN NE2 N 15 112.493 0.400 . 1 . . . . 9 GLN NE2 . 17023 1 58 . 1 1 10 10 THR H H 1 8.238 0.043 . 1 . . . . 10 THR H . 17023 1 59 . 1 1 10 10 THR HA H 1 4.576 0.004 . 1 . . . . 10 THR HA . 17023 1 60 . 1 1 10 10 THR HB H 1 4.148 0.004 . 1 . . . . 10 THR HB . 17023 1 61 . 1 1 10 10 THR HG21 H 1 1.343 0.020 . 1 . . . . 10 THR HG21 . 17023 1 62 . 1 1 10 10 THR HG22 H 1 1.343 0.020 . 1 . . . . 10 THR HG22 . 17023 1 63 . 1 1 10 10 THR HG23 H 1 1.343 0.020 . 1 . . . . 10 THR HG23 . 17023 1 64 . 1 1 10 10 THR C C 13 174.899 0.150 . 1 . . . . 10 THR C . 17023 1 65 . 1 1 10 10 THR CA C 13 60.089 0.148 . 1 . . . . 10 THR CA . 17023 1 66 . 1 1 10 10 THR CB C 13 69.769 0.049 . 1 . . . . 10 THR CB . 17023 1 67 . 1 1 10 10 THR CG2 C 13 20.212 0.150 . 1 . . . . 10 THR CG2 . 17023 1 68 . 1 1 10 10 THR N N 15 118.161 0.484 . 1 . . . . 10 THR N . 17023 1 69 . 1 1 11 11 PRO HA H 1 4.414 0.006 . 1 . . . . 11 PRO HA . 17023 1 70 . 1 1 11 11 PRO HB2 H 1 2.035 0.020 . 2 . . . . 11 PRO HB2 . 17023 1 71 . 1 1 11 11 PRO HB3 H 1 2.305 0.002 . 2 . . . . 11 PRO HB3 . 17023 1 72 . 1 1 11 11 PRO HD2 H 1 3.706 0.001 . 2 . . . . 11 PRO HD2 . 17023 1 73 . 1 1 11 11 PRO HD3 H 1 3.827 0.010 . 2 . . . . 11 PRO HD3 . 17023 1 74 . 1 1 11 11 PRO C C 13 177.088 0.150 . 1 . . . . 11 PRO C . 17023 1 75 . 1 1 11 11 PRO CA C 13 63.350 0.118 . 1 . . . . 11 PRO CA . 17023 1 76 . 1 1 11 11 PRO CB C 13 32.122 0.021 . 1 . . . . 11 PRO CB . 17023 1 77 . 1 1 11 11 PRO CD C 13 51.125 0.017 . 1 . . . . 11 PRO CD . 17023 1 78 . 1 1 12 12 GLY H H 1 8.096 0.038 . 1 . . . . 12 GLY H . 17023 1 79 . 1 1 12 12 GLY HA2 H 1 3.931 0.007 . 2 . . . . 12 GLY HA2 . 17023 1 80 . 1 1 12 12 GLY HA3 H 1 4.156 0.005 . 2 . . . . 12 GLY HA3 . 17023 1 81 . 1 1 12 12 GLY C C 13 171.425 0.150 . 1 . . . . 12 GLY C . 17023 1 82 . 1 1 12 12 GLY CA C 13 44.594 0.068 . 1 . . . . 12 GLY CA . 17023 1 83 . 1 1 12 12 GLY N N 15 109.201 0.492 . 1 . . . . 12 GLY N . 17023 1 84 . 1 1 13 13 PRO HA H 1 4.351 0.012 . 1 . . . . 13 PRO HA . 17023 1 85 . 1 1 13 13 PRO HB2 H 1 1.577 0.006 . 2 . . . . 13 PRO HB2 . 17023 1 86 . 1 1 13 13 PRO HB3 H 1 2.022 0.007 . 2 . . . . 13 PRO HB3 . 17023 1 87 . 1 1 13 13 PRO HD2 H 1 3.467 0.003 . 2 . . . . 13 PRO HD2 . 17023 1 88 . 1 1 13 13 PRO HD3 H 1 3.530 0.003 . 2 . . . . 13 PRO HD3 . 17023 1 89 . 1 1 13 13 PRO HG2 H 1 1.716 0.015 . 2 . . . . 13 PRO HG2 . 17023 1 90 . 1 1 13 13 PRO HG3 H 1 1.775 0.005 . 2 . . . . 13 PRO HG3 . 17023 1 91 . 1 1 13 13 PRO C C 13 176.271 0.150 . 1 . . . . 13 PRO C . 17023 1 92 . 1 1 13 13 PRO CA C 13 62.934 0.109 . 1 . . . . 13 PRO CA . 17023 1 93 . 1 1 13 13 PRO CB C 13 32.090 0.063 . 1 . . . . 13 PRO CB . 17023 1 94 . 1 1 13 13 PRO CD C 13 49.697 0.043 . 1 . . . . 13 PRO CD . 17023 1 95 . 1 1 13 13 PRO CG C 13 27.090 0.007 . 1 . . . . 13 PRO CG . 17023 1 96 . 1 1 14 14 MET H H 1 8.548 0.037 . 1 . . . . 14 MET H . 17023 1 97 . 1 1 14 14 MET HA H 1 4.638 0.008 . 1 . . . . 14 MET HA . 17023 1 98 . 1 1 14 14 MET HB2 H 1 2.022 0.010 . 1 . . . . 14 MET HB2 . 17023 1 99 . 1 1 14 14 MET HG2 H 1 2.506 0.008 . 1 . . . . 14 MET HG2 . 17023 1 100 . 1 1 14 14 MET C C 13 175.969 0.025 . 1 . . . . 14 MET C . 17023 1 101 . 1 1 14 14 MET CA C 13 54.613 0.030 . 1 . . . . 14 MET CA . 17023 1 102 . 1 1 14 14 MET CB C 13 34.491 0.095 . 1 . . . . 14 MET CB . 17023 1 103 . 1 1 14 14 MET CG C 13 31.548 0.019 . 1 . . . . 14 MET CG . 17023 1 104 . 1 1 14 14 MET N N 15 120.120 0.443 . 1 . . . . 14 MET N . 17023 1 105 . 1 1 15 15 LEU H H 1 8.633 0.033 . 1 . . . . 15 LEU H . 17023 1 106 . 1 1 15 15 LEU HA H 1 4.263 0.014 . 1 . . . . 15 LEU HA . 17023 1 107 . 1 1 15 15 LEU HB2 H 1 1.610 0.011 . 1 . . . . 15 LEU HB2 . 17023 1 108 . 1 1 15 15 LEU HD11 H 1 0.418 0.006 . 2 . . . . 15 LEU HD11 . 17023 1 109 . 1 1 15 15 LEU HD12 H 1 0.418 0.006 . 2 . . . . 15 LEU HD12 . 17023 1 110 . 1 1 15 15 LEU HD13 H 1 0.418 0.006 . 2 . . . . 15 LEU HD13 . 17023 1 111 . 1 1 15 15 LEU HD21 H 1 0.836 0.004 . 2 . . . . 15 LEU HD21 . 17023 1 112 . 1 1 15 15 LEU HD22 H 1 0.836 0.004 . 2 . . . . 15 LEU HD22 . 17023 1 113 . 1 1 15 15 LEU HD23 H 1 0.836 0.004 . 2 . . . . 15 LEU HD23 . 17023 1 114 . 1 1 15 15 LEU HG H 1 1.603 0.009 . 1 . . . . 15 LEU HG . 17023 1 115 . 1 1 15 15 LEU C C 13 176.495 0.010 . 1 . . . . 15 LEU C . 17023 1 116 . 1 1 15 15 LEU CA C 13 55.200 0.100 . 1 . . . . 15 LEU CA . 17023 1 117 . 1 1 15 15 LEU CB C 13 41.782 0.049 . 1 . . . . 15 LEU CB . 17023 1 118 . 1 1 15 15 LEU CD1 C 13 22.512 0.042 . 2 . . . . 15 LEU CD1 . 17023 1 119 . 1 1 15 15 LEU CD2 C 13 25.279 0.051 . 2 . . . . 15 LEU CD2 . 17023 1 120 . 1 1 15 15 LEU CG C 13 27.407 0.055 . 1 . . . . 15 LEU CG . 17023 1 121 . 1 1 15 15 LEU N N 15 125.183 0.418 . 1 . . . . 15 LEU N . 17023 1 122 . 1 1 16 16 CYS H H 1 9.151 0.031 . 1 . . . . 16 CYS H . 17023 1 123 . 1 1 16 16 CYS HA H 1 4.312 0.007 . 1 . . . . 16 CYS HA . 17023 1 124 . 1 1 16 16 CYS HB2 H 1 2.562 0.006 . 2 . . . . 16 CYS HB2 . 17023 1 125 . 1 1 16 16 CYS HB3 H 1 3.398 0.007 . 2 . . . . 16 CYS HB3 . 17023 1 126 . 1 1 16 16 CYS C C 13 178.952 0.007 . 1 . . . . 16 CYS C . 17023 1 127 . 1 1 16 16 CYS CA C 13 60.552 0.077 . 1 . . . . 16 CYS CA . 17023 1 128 . 1 1 16 16 CYS CB C 13 30.414 0.029 . 1 . . . . 16 CYS CB . 17023 1 129 . 1 1 16 16 CYS N N 15 124.705 0.398 . 1 . . . . 16 CYS N . 17023 1 130 . 1 1 17 17 SER H H 1 8.225 0.029 . 1 . . . . 17 SER H . 17023 1 131 . 1 1 17 17 SER HA H 1 4.244 0.004 . 1 . . . . 17 SER HA . 17023 1 132 . 1 1 17 17 SER HB2 H 1 3.968 0.003 . 2 . . . . 17 SER HB2 . 17023 1 133 . 1 1 17 17 SER HB3 H 1 4.079 0.002 . 2 . . . . 17 SER HB3 . 17023 1 134 . 1 1 17 17 SER C C 13 175.771 0.027 . 1 . . . . 17 SER C . 17023 1 135 . 1 1 17 17 SER CA C 13 60.685 0.013 . 1 . . . . 17 SER CA . 17023 1 136 . 1 1 17 17 SER CB C 13 63.408 0.042 . 1 . . . . 17 SER CB . 17023 1 137 . 1 1 17 17 SER N N 15 126.720 0.418 . 1 . . . . 17 SER N . 17023 1 138 . 1 1 18 18 THR H H 1 8.687 0.030 . 1 . . . . 18 THR H . 17023 1 139 . 1 1 18 18 THR HA H 1 4.429 0.004 . 1 . . . . 18 THR HA . 17023 1 140 . 1 1 18 18 THR HB H 1 4.598 0.008 . 1 . . . . 18 THR HB . 17023 1 141 . 1 1 18 18 THR HG21 H 1 1.460 0.006 . 1 . . . . 18 THR HG21 . 17023 1 142 . 1 1 18 18 THR HG22 H 1 1.460 0.006 . 1 . . . . 18 THR HG22 . 17023 1 143 . 1 1 18 18 THR HG23 H 1 1.460 0.006 . 1 . . . . 18 THR HG23 . 17023 1 144 . 1 1 18 18 THR C C 13 176.819 0.012 . 1 . . . . 18 THR C . 17023 1 145 . 1 1 18 18 THR CA C 13 63.160 0.093 . 1 . . . . 18 THR CA . 17023 1 146 . 1 1 18 18 THR CB C 13 69.408 0.069 . 1 . . . . 18 THR CB . 17023 1 147 . 1 1 18 18 THR CG2 C 13 22.425 0.069 . 1 . . . . 18 THR CG2 . 17023 1 148 . 1 1 18 18 THR N N 15 115.417 0.436 . 1 . . . . 18 THR N . 17023 1 149 . 1 1 19 19 GLY H H 1 7.989 0.033 . 1 . . . . 19 GLY H . 17023 1 150 . 1 1 19 19 GLY HA2 H 1 3.887 0.008 . 2 . . . . 19 GLY HA2 . 17023 1 151 . 1 1 19 19 GLY HA3 H 1 4.253 0.009 . 2 . . . . 19 GLY HA3 . 17023 1 152 . 1 1 19 19 GLY C C 13 175.631 0.004 . 1 . . . . 19 GLY C . 17023 1 153 . 1 1 19 19 GLY CA C 13 45.801 0.061 . 1 . . . . 19 GLY CA . 17023 1 154 . 1 1 19 19 GLY N N 15 107.287 0.387 . 1 . . . . 19 GLY N . 17023 1 155 . 1 1 20 20 CYS H H 1 7.335 0.029 . 1 . . . . 20 CYS H . 17023 1 156 . 1 1 20 20 CYS HA H 1 4.288 0.005 . 1 . . . . 20 CYS HA . 17023 1 157 . 1 1 20 20 CYS HB2 H 1 2.677 0.003 . 2 . . . . 20 CYS HB2 . 17023 1 158 . 1 1 20 20 CYS HB3 H 1 3.269 0.005 . 2 . . . . 20 CYS HB3 . 17023 1 159 . 1 1 20 20 CYS C C 13 176.101 0.020 . 1 . . . . 20 CYS C . 17023 1 160 . 1 1 20 20 CYS CA C 13 60.113 0.085 . 1 . . . . 20 CYS CA . 17023 1 161 . 1 1 20 20 CYS CB C 13 30.100 0.043 . 1 . . . . 20 CYS CB . 17023 1 162 . 1 1 20 20 CYS N N 15 119.655 0.390 . 1 . . . . 20 CYS N . 17023 1 163 . 1 1 21 21 GLY H H 1 8.891 0.034 . 1 . . . . 21 GLY H . 17023 1 164 . 1 1 21 21 GLY HA2 H 1 3.422 0.004 . 2 . . . . 21 GLY HA2 . 17023 1 165 . 1 1 21 21 GLY HA3 H 1 4.227 0.005 . 2 . . . . 21 GLY HA3 . 17023 1 166 . 1 1 21 21 GLY C C 13 173.972 0.015 . 1 . . . . 21 GLY C . 17023 1 167 . 1 1 21 21 GLY CA C 13 45.346 0.017 . 1 . . . . 21 GLY CA . 17023 1 168 . 1 1 21 21 GLY N N 15 111.719 0.412 . 1 . . . . 21 GLY N . 17023 1 169 . 1 1 22 22 PHE H H 1 8.913 0.032 . 1 . . . . 22 PHE H . 17023 1 170 . 1 1 22 22 PHE HA H 1 4.621 0.007 . 1 . . . . 22 PHE HA . 17023 1 171 . 1 1 22 22 PHE HB2 H 1 3.313 0.004 . 2 . . . . 22 PHE HB2 . 17023 1 172 . 1 1 22 22 PHE HB3 H 1 3.394 0.006 . 2 . . . . 22 PHE HB3 . 17023 1 173 . 1 1 22 22 PHE HD1 H 1 7.676 0.004 . 3 . . . . 22 PHE HD1 . 17023 1 174 . 1 1 22 22 PHE HD2 H 1 7.676 0.004 . 3 . . . . 22 PHE HD2 . 17023 1 175 . 1 1 22 22 PHE HE1 H 1 7.403 0.007 . 3 . . . . 22 PHE HE1 . 17023 1 176 . 1 1 22 22 PHE HE2 H 1 7.403 0.007 . 3 . . . . 22 PHE HE2 . 17023 1 177 . 1 1 22 22 PHE HZ H 1 7.342 0.006 . 1 . . . . 22 PHE HZ . 17023 1 178 . 1 1 22 22 PHE C C 13 175.205 0.010 . 1 . . . . 22 PHE C . 17023 1 179 . 1 1 22 22 PHE CA C 13 57.225 0.039 . 1 . . . . 22 PHE CA . 17023 1 180 . 1 1 22 22 PHE CB C 13 38.855 0.035 . 1 . . . . 22 PHE CB . 17023 1 181 . 1 1 22 22 PHE N N 15 123.319 0.375 . 1 . . . . 22 PHE N . 17023 1 182 . 1 1 23 23 TYR H H 1 8.540 0.030 . 1 . . . . 23 TYR H . 17023 1 183 . 1 1 23 23 TYR HA H 1 4.714 0.006 . 1 . . . . 23 TYR HA . 17023 1 184 . 1 1 23 23 TYR HB2 H 1 2.885 0.006 . 2 . . . . 23 TYR HB2 . 17023 1 185 . 1 1 23 23 TYR HB3 H 1 3.151 0.006 . 2 . . . . 23 TYR HB3 . 17023 1 186 . 1 1 23 23 TYR HD1 H 1 7.067 0.008 . 3 . . . . 23 TYR HD1 . 17023 1 187 . 1 1 23 23 TYR HD2 H 1 7.067 0.008 . 3 . . . . 23 TYR HD2 . 17023 1 188 . 1 1 23 23 TYR HE1 H 1 6.784 0.004 . 3 . . . . 23 TYR HE1 . 17023 1 189 . 1 1 23 23 TYR HE2 H 1 6.784 0.004 . 3 . . . . 23 TYR HE2 . 17023 1 190 . 1 1 23 23 TYR C C 13 176.695 0.011 . 1 . . . . 23 TYR C . 17023 1 191 . 1 1 23 23 TYR CA C 13 59.605 0.064 . 1 . . . . 23 TYR CA . 17023 1 192 . 1 1 23 23 TYR CB C 13 38.321 0.075 . 1 . . . . 23 TYR CB . 17023 1 193 . 1 1 23 23 TYR N N 15 118.787 0.433 . 1 . . . . 23 TYR N . 17023 1 194 . 1 1 24 24 GLY H H 1 8.785 0.027 . 1 . . . . 24 GLY H . 17023 1 195 . 1 1 24 24 GLY HA2 H 1 3.053 0.006 . 2 . . . . 24 GLY HA2 . 17023 1 196 . 1 1 24 24 GLY HA3 H 1 3.955 0.004 . 2 . . . . 24 GLY HA3 . 17023 1 197 . 1 1 24 24 GLY C C 13 171.574 0.019 . 1 . . . . 24 GLY C . 17023 1 198 . 1 1 24 24 GLY CA C 13 43.417 0.023 . 1 . . . . 24 GLY CA . 17023 1 199 . 1 1 24 24 GLY N N 15 108.302 0.335 . 1 . . . . 24 GLY N . 17023 1 200 . 1 1 25 25 ASN H H 1 6.799 0.035 . 1 . . . . 25 ASN H . 17023 1 201 . 1 1 25 25 ASN HA H 1 5.194 0.006 . 1 . . . . 25 ASN HA . 17023 1 202 . 1 1 25 25 ASN HB2 H 1 2.651 0.008 . 2 . . . . 25 ASN HB2 . 17023 1 203 . 1 1 25 25 ASN HB3 H 1 3.396 0.006 . 2 . . . . 25 ASN HB3 . 17023 1 204 . 1 1 25 25 ASN HD21 H 1 7.050 0.011 . 1 . . . . 25 ASN HD21 . 17023 1 205 . 1 1 25 25 ASN HD22 H 1 7.655 0.013 . 1 . . . . 25 ASN HD22 . 17023 1 206 . 1 1 25 25 ASN C C 13 175.538 0.150 . 1 . . . . 25 ASN C . 17023 1 207 . 1 1 25 25 ASN CA C 13 49.978 0.048 . 1 . . . . 25 ASN CA . 17023 1 208 . 1 1 25 25 ASN CB C 13 41.029 0.051 . 1 . . . . 25 ASN CB . 17023 1 209 . 1 1 25 25 ASN N N 15 116.897 0.331 . 1 . . . . 25 ASN N . 17023 1 210 . 1 1 25 25 ASN ND2 N 15 113.055 0.217 . 1 . . . . 25 ASN ND2 . 17023 1 211 . 1 1 26 26 PRO HA H 1 4.237 0.005 . 1 . . . . 26 PRO HA . 17023 1 212 . 1 1 26 26 PRO HB2 H 1 2.004 0.017 . 2 . . . . 26 PRO HB2 . 17023 1 213 . 1 1 26 26 PRO HB3 H 1 2.397 0.007 . 2 . . . . 26 PRO HB3 . 17023 1 214 . 1 1 26 26 PRO HD2 H 1 3.845 0.005 . 2 . . . . 26 PRO HD2 . 17023 1 215 . 1 1 26 26 PRO HD3 H 1 3.945 0.015 . 2 . . . . 26 PRO HD3 . 17023 1 216 . 1 1 26 26 PRO HG2 H 1 2.052 0.007 . 1 . . . . 26 PRO HG2 . 17023 1 217 . 1 1 26 26 PRO C C 13 178.135 0.150 . 1 . . . . 26 PRO C . 17023 1 218 . 1 1 26 26 PRO CA C 13 64.950 0.127 . 1 . . . . 26 PRO CA . 17023 1 219 . 1 1 26 26 PRO CB C 13 32.309 0.112 . 1 . . . . 26 PRO CB . 17023 1 220 . 1 1 26 26 PRO CD C 13 51.729 0.044 . 1 . . . . 26 PRO CD . 17023 1 221 . 1 1 26 26 PRO CG C 13 27.402 0.043 . 1 . . . . 26 PRO CG . 17023 1 222 . 1 1 27 27 ARG H H 1 8.426 0.040 . 1 . . . . 27 ARG H . 17023 1 223 . 1 1 27 27 ARG HA H 1 4.257 0.005 . 1 . . . . 27 ARG HA . 17023 1 224 . 1 1 27 27 ARG HB2 H 1 1.717 0.007 . 2 . . . . 27 ARG HB2 . 17023 1 225 . 1 1 27 27 ARG HB3 H 1 1.895 0.008 . 2 . . . . 27 ARG HB3 . 17023 1 226 . 1 1 27 27 ARG HG2 H 1 1.646 0.019 . 1 . . . . 27 ARG HG2 . 17023 1 227 . 1 1 27 27 ARG C C 13 177.195 0.017 . 1 . . . . 27 ARG C . 17023 1 228 . 1 1 27 27 ARG CA C 13 57.384 0.085 . 1 . . . . 27 ARG CA . 17023 1 229 . 1 1 27 27 ARG CB C 13 29.887 0.145 . 1 . . . . 27 ARG CB . 17023 1 230 . 1 1 27 27 ARG N N 15 115.128 0.419 . 1 . . . . 27 ARG N . 17023 1 231 . 1 1 28 28 THR H H 1 7.533 0.027 . 1 . . . . 28 THR H . 17023 1 232 . 1 1 28 28 THR HA H 1 3.760 0.009 . 1 . . . . 28 THR HA . 17023 1 233 . 1 1 28 28 THR HB H 1 3.178 0.011 . 1 . . . . 28 THR HB . 17023 1 234 . 1 1 28 28 THR HG21 H 1 0.484 0.005 . 1 . . . . 28 THR HG21 . 17023 1 235 . 1 1 28 28 THR HG22 H 1 0.484 0.005 . 1 . . . . 28 THR HG22 . 17023 1 236 . 1 1 28 28 THR HG23 H 1 0.484 0.005 . 1 . . . . 28 THR HG23 . 17023 1 237 . 1 1 28 28 THR C C 13 175.220 0.150 . 1 . . . . 28 THR C . 17023 1 238 . 1 1 28 28 THR CA C 13 58.394 0.080 . 1 . . . . 28 THR CA . 17023 1 239 . 1 1 28 28 THR CB C 13 66.577 0.166 . 1 . . . . 28 THR CB . 17023 1 240 . 1 1 28 28 THR CG2 C 13 20.302 0.034 . 1 . . . . 28 THR CG2 . 17023 1 241 . 1 1 28 28 THR N N 15 110.844 0.337 . 1 . . . . 28 THR N . 17023 1 242 . 1 1 29 29 ASN H H 1 8.122 0.030 . 1 . . . . 29 ASN H . 17023 1 243 . 1 1 29 29 ASN HA H 1 4.408 0.005 . 1 . . . . 29 ASN HA . 17023 1 244 . 1 1 29 29 ASN HB2 H 1 2.625 0.009 . 2 . . . . 29 ASN HB2 . 17023 1 245 . 1 1 29 29 ASN HB3 H 1 3.187 0.005 . 2 . . . . 29 ASN HB3 . 17023 1 246 . 1 1 29 29 ASN HD21 H 1 6.798 0.006 . 1 . . . . 29 ASN HD21 . 17023 1 247 . 1 1 29 29 ASN HD22 H 1 6.964 0.007 . 1 . . . . 29 ASN HD22 . 17023 1 248 . 1 1 29 29 ASN C C 13 174.575 0.022 . 1 . . . . 29 ASN C . 17023 1 249 . 1 1 29 29 ASN CA C 13 54.136 0.092 . 1 . . . . 29 ASN CA . 17023 1 250 . 1 1 29 29 ASN CB C 13 37.968 0.083 . 1 . . . . 29 ASN CB . 17023 1 251 . 1 1 29 29 ASN CG C 13 177.831 0.028 . 1 . . . . 29 ASN CG . 17023 1 252 . 1 1 29 29 ASN N N 15 117.131 0.412 . 1 . . . . 29 ASN N . 17023 1 253 . 1 1 29 29 ASN ND2 N 15 109.603 0.235 . 1 . . . . 29 ASN ND2 . 17023 1 254 . 1 1 30 30 GLY H H 1 7.848 0.035 . 1 . . . . 30 GLY H . 17023 1 255 . 1 1 30 30 GLY HA2 H 1 3.396 0.004 . 2 . . . . 30 GLY HA2 . 17023 1 256 . 1 1 30 30 GLY HA3 H 1 4.064 0.005 . 2 . . . . 30 GLY HA3 . 17023 1 257 . 1 1 30 30 GLY C C 13 174.168 0.013 . 1 . . . . 30 GLY C . 17023 1 258 . 1 1 30 30 GLY CA C 13 46.012 0.066 . 1 . . . . 30 GLY CA . 17023 1 259 . 1 1 30 30 GLY N N 15 104.571 0.459 . 1 . . . . 30 GLY N . 17023 1 260 . 1 1 31 31 MET H H 1 7.826 0.027 . 1 . . . . 31 MET H . 17023 1 261 . 1 1 31 31 MET HA H 1 5.928 0.008 . 1 . . . . 31 MET HA . 17023 1 262 . 1 1 31 31 MET HB2 H 1 2.271 0.010 . 2 . . . . 31 MET HB2 . 17023 1 263 . 1 1 31 31 MET HB3 H 1 2.379 0.005 . 2 . . . . 31 MET HB3 . 17023 1 264 . 1 1 31 31 MET HE1 H 1 1.805 0.008 . 1 . . . . 31 MET HE1 . 17023 1 265 . 1 1 31 31 MET HE2 H 1 1.805 0.008 . 1 . . . . 31 MET HE2 . 17023 1 266 . 1 1 31 31 MET HE3 H 1 1.805 0.008 . 1 . . . . 31 MET HE3 . 17023 1 267 . 1 1 31 31 MET HG2 H 1 2.609 0.006 . 1 . . . . 31 MET HG2 . 17023 1 268 . 1 1 31 31 MET C C 13 177.589 0.020 . 1 . . . . 31 MET C . 17023 1 269 . 1 1 31 31 MET CA C 13 54.416 0.130 . 1 . . . . 31 MET CA . 17023 1 270 . 1 1 31 31 MET CB C 13 36.705 0.025 . 1 . . . . 31 MET CB . 17023 1 271 . 1 1 31 31 MET CE C 13 18.303 0.015 . 1 . . . . 31 MET CE . 17023 1 272 . 1 1 31 31 MET CG C 13 33.580 0.097 . 1 . . . . 31 MET CG . 17023 1 273 . 1 1 31 31 MET N N 15 119.347 0.369 . 1 . . . . 31 MET N . 17023 1 274 . 1 1 32 32 CYS H H 1 10.103 0.024 . 1 . . . . 32 CYS H . 17023 1 275 . 1 1 32 32 CYS HA H 1 4.942 0.002 . 1 . . . . 32 CYS HA . 17023 1 276 . 1 1 32 32 CYS HB2 H 1 2.900 0.004 . 2 . . . . 32 CYS HB2 . 17023 1 277 . 1 1 32 32 CYS HB3 H 1 3.447 0.008 . 2 . . . . 32 CYS HB3 . 17023 1 278 . 1 1 32 32 CYS C C 13 175.511 0.011 . 1 . . . . 32 CYS C . 17023 1 279 . 1 1 32 32 CYS CA C 13 58.273 0.086 . 1 . . . . 32 CYS CA . 17023 1 280 . 1 1 32 32 CYS CB C 13 31.428 0.068 . 1 . . . . 32 CYS CB . 17023 1 281 . 1 1 32 32 CYS N N 15 123.829 0.380 . 1 . . . . 32 CYS N . 17023 1 282 . 1 1 33 33 SER H H 1 8.597 0.047 . 1 . . . . 33 SER H . 17023 1 283 . 1 1 33 33 SER HA H 1 4.196 0.002 . 1 . . . . 33 SER HA . 17023 1 284 . 1 1 33 33 SER HB2 H 1 4.004 0.011 . 1 . . . . 33 SER HB2 . 17023 1 285 . 1 1 33 33 SER C C 13 176.818 0.150 . 1 . . . . 33 SER C . 17023 1 286 . 1 1 33 33 SER CA C 13 62.726 0.109 . 1 . . . . 33 SER CA . 17023 1 287 . 1 1 33 33 SER CB C 13 62.860 0.078 . 1 . . . . 33 SER CB . 17023 1 288 . 1 1 33 33 SER N N 15 113.564 0.405 . 1 . . . . 33 SER N . 17023 1 289 . 1 1 34 34 VAL H H 1 7.737 0.029 . 1 . . . . 34 VAL H . 17023 1 290 . 1 1 34 34 VAL HA H 1 3.755 0.003 . 1 . . . . 34 VAL HA . 17023 1 291 . 1 1 34 34 VAL HB H 1 2.279 0.005 . 1 . . . . 34 VAL HB . 17023 1 292 . 1 1 34 34 VAL HG11 H 1 0.950 0.003 . 2 . . . . 34 VAL HG11 . 17023 1 293 . 1 1 34 34 VAL HG12 H 1 0.950 0.003 . 2 . . . . 34 VAL HG12 . 17023 1 294 . 1 1 34 34 VAL HG13 H 1 0.950 0.003 . 2 . . . . 34 VAL HG13 . 17023 1 295 . 1 1 34 34 VAL HG21 H 1 1.020 0.005 . 2 . . . . 34 VAL HG21 . 17023 1 296 . 1 1 34 34 VAL HG22 H 1 1.020 0.005 . 2 . . . . 34 VAL HG22 . 17023 1 297 . 1 1 34 34 VAL HG23 H 1 1.020 0.005 . 2 . . . . 34 VAL HG23 . 17023 1 298 . 1 1 34 34 VAL C C 13 178.931 0.015 . 1 . . . . 34 VAL C . 17023 1 299 . 1 1 34 34 VAL CA C 13 66.659 0.062 . 1 . . . . 34 VAL CA . 17023 1 300 . 1 1 34 34 VAL CB C 13 32.315 0.055 . 1 . . . . 34 VAL CB . 17023 1 301 . 1 1 34 34 VAL CG1 C 13 21.641 0.551 . 2 . . . . 34 VAL CG1 . 17023 1 302 . 1 1 34 34 VAL CG2 C 13 22.573 0.062 . 2 . . . . 34 VAL CG2 . 17023 1 303 . 1 1 34 34 VAL N N 15 124.072 0.392 . 1 . . . . 34 VAL N . 17023 1 304 . 1 1 35 35 CYS H H 1 9.091 0.032 . 1 . . . . 35 CYS H . 17023 1 305 . 1 1 35 35 CYS HA H 1 4.016 0.005 . 1 . . . . 35 CYS HA . 17023 1 306 . 1 1 35 35 CYS HB2 H 1 2.990 0.010 . 2 . . . . 35 CYS HB2 . 17023 1 307 . 1 1 35 35 CYS HB3 H 1 3.014 0.016 . 2 . . . . 35 CYS HB3 . 17023 1 308 . 1 1 35 35 CYS C C 13 178.934 0.150 . 1 . . . . 35 CYS C . 17023 1 309 . 1 1 35 35 CYS CA C 13 64.623 0.044 . 1 . . . . 35 CYS CA . 17023 1 310 . 1 1 35 35 CYS CB C 13 29.205 0.050 . 1 . . . . 35 CYS CB . 17023 1 311 . 1 1 35 35 CYS N N 15 125.387 0.317 . 1 . . . . 35 CYS N . 17023 1 312 . 1 1 36 36 TYR H H 1 9.171 0.032 . 1 . . . . 36 TYR H . 17023 1 313 . 1 1 36 36 TYR HA H 1 4.576 0.010 . 1 . . . . 36 TYR HA . 17023 1 314 . 1 1 36 36 TYR HB2 H 1 2.995 0.006 . 2 . . . . 36 TYR HB2 . 17023 1 315 . 1 1 36 36 TYR HB3 H 1 3.277 0.005 . 2 . . . . 36 TYR HB3 . 17023 1 316 . 1 1 36 36 TYR HD1 H 1 7.140 0.003 . 3 . . . . 36 TYR HD1 . 17023 1 317 . 1 1 36 36 TYR HD2 H 1 7.140 0.003 . 3 . . . . 36 TYR HD2 . 17023 1 318 . 1 1 36 36 TYR HE1 H 1 6.805 0.004 . 3 . . . . 36 TYR HE1 . 17023 1 319 . 1 1 36 36 TYR HE2 H 1 6.805 0.004 . 3 . . . . 36 TYR HE2 . 17023 1 320 . 1 1 36 36 TYR C C 13 176.990 0.003 . 1 . . . . 36 TYR C . 17023 1 321 . 1 1 36 36 TYR CA C 13 61.164 0.089 . 1 . . . . 36 TYR CA . 17023 1 322 . 1 1 36 36 TYR CB C 13 38.636 0.083 . 1 . . . . 36 TYR CB . 17023 1 323 . 1 1 36 36 TYR N N 15 121.288 0.360 . 1 . . . . 36 TYR N . 17023 1 324 . 1 1 37 37 LYS H H 1 7.719 0.029 . 1 . . . . 37 LYS H . 17023 1 325 . 1 1 37 37 LYS HA H 1 3.839 0.004 . 1 . . . . 37 LYS HA . 17023 1 326 . 1 1 37 37 LYS HB2 H 1 2.030 0.010 . 1 . . . . 37 LYS HB2 . 17023 1 327 . 1 1 37 37 LYS HD2 H 1 1.677 0.005 . 2 . . . . 37 LYS HD2 . 17023 1 328 . 1 1 37 37 LYS HD3 H 1 1.734 0.010 . 2 . . . . 37 LYS HD3 . 17023 1 329 . 1 1 37 37 LYS HE2 H 1 3.012 0.014 . 1 . . . . 37 LYS HE2 . 17023 1 330 . 1 1 37 37 LYS HG2 H 1 1.459 0.006 . 1 . . . . 37 LYS HG2 . 17023 1 331 . 1 1 37 37 LYS C C 13 179.437 0.044 . 1 . . . . 37 LYS C . 17023 1 332 . 1 1 37 37 LYS CA C 13 59.957 0.056 . 1 . . . . 37 LYS CA . 17023 1 333 . 1 1 37 37 LYS CB C 13 32.204 0.157 . 1 . . . . 37 LYS CB . 17023 1 334 . 1 1 37 37 LYS CD C 13 25.292 0.030 . 1 . . . . 37 LYS CD . 17023 1 335 . 1 1 37 37 LYS CE C 13 42.151 0.023 . 1 . . . . 37 LYS CE . 17023 1 336 . 1 1 37 37 LYS CG C 13 25.271 0.016 . 1 . . . . 37 LYS CG . 17023 1 337 . 1 1 37 37 LYS N N 15 118.479 0.312 . 1 . . . . 37 LYS N . 17023 1 338 . 1 1 38 38 GLU H H 1 7.691 0.027 . 1 . . . . 38 GLU H . 17023 1 339 . 1 1 38 38 GLU HA H 1 4.059 0.003 . 1 . . . . 38 GLU HA . 17023 1 340 . 1 1 38 38 GLU HB2 H 1 2.143 0.006 . 1 . . . . 38 GLU HB2 . 17023 1 341 . 1 1 38 38 GLU HG2 H 1 2.267 0.010 . 2 . . . . 38 GLU HG2 . 17023 1 342 . 1 1 38 38 GLU HG3 H 1 2.439 0.007 . 2 . . . . 38 GLU HG3 . 17023 1 343 . 1 1 38 38 GLU C C 13 178.622 0.015 . 1 . . . . 38 GLU C . 17023 1 344 . 1 1 38 38 GLU CA C 13 59.533 0.168 . 1 . . . . 38 GLU CA . 17023 1 345 . 1 1 38 38 GLU CB C 13 29.241 0.050 . 1 . . . . 38 GLU CB . 17023 1 346 . 1 1 38 38 GLU CG C 13 36.295 0.076 . 1 . . . . 38 GLU CG . 17023 1 347 . 1 1 38 38 GLU N N 15 118.991 0.293 . 1 . . . . 38 GLU N . 17023 1 348 . 1 1 39 39 HIS H H 1 8.318 0.026 . 1 . . . . 39 HIS H . 17023 1 349 . 1 1 39 39 HIS HA H 1 4.242 0.019 . 1 . . . . 39 HIS HA . 17023 1 350 . 1 1 39 39 HIS HB2 H 1 3.073 0.004 . 2 . . . . 39 HIS HB2 . 17023 1 351 . 1 1 39 39 HIS HB3 H 1 3.447 0.009 . 2 . . . . 39 HIS HB3 . 17023 1 352 . 1 1 39 39 HIS HD2 H 1 6.696 0.006 . 1 . . . . 39 HIS HD2 . 17023 1 353 . 1 1 39 39 HIS HE1 H 1 7.691 0.013 . 1 . . . . 39 HIS HE1 . 17023 1 354 . 1 1 39 39 HIS C C 13 177.918 0.132 . 1 . . . . 39 HIS C . 17023 1 355 . 1 1 39 39 HIS CA C 13 59.904 0.056 . 1 . . . . 39 HIS CA . 17023 1 356 . 1 1 39 39 HIS CB C 13 30.486 0.091 . 1 . . . . 39 HIS CB . 17023 1 357 . 1 1 39 39 HIS N N 15 121.172 0.318 . 1 . . . . 39 HIS N . 17023 1 358 . 1 1 40 40 LEU H H 1 8.228 0.026 . 1 . . . . 40 LEU H . 17023 1 359 . 1 1 40 40 LEU HA H 1 3.718 0.004 . 1 . . . . 40 LEU HA . 17023 1 360 . 1 1 40 40 LEU HB2 H 1 1.303 0.006 . 2 . . . . 40 LEU HB2 . 17023 1 361 . 1 1 40 40 LEU HB3 H 1 1.611 0.006 . 2 . . . . 40 LEU HB3 . 17023 1 362 . 1 1 40 40 LEU HD11 H 1 0.627 0.004 . 2 . . . . 40 LEU HD11 . 17023 1 363 . 1 1 40 40 LEU HD12 H 1 0.627 0.004 . 2 . . . . 40 LEU HD12 . 17023 1 364 . 1 1 40 40 LEU HD13 H 1 0.627 0.004 . 2 . . . . 40 LEU HD13 . 17023 1 365 . 1 1 40 40 LEU HD21 H 1 0.664 0.005 . 2 . . . . 40 LEU HD21 . 17023 1 366 . 1 1 40 40 LEU HD22 H 1 0.664 0.005 . 2 . . . . 40 LEU HD22 . 17023 1 367 . 1 1 40 40 LEU HD23 H 1 0.664 0.005 . 2 . . . . 40 LEU HD23 . 17023 1 368 . 1 1 40 40 LEU HG H 1 1.224 0.007 . 1 . . . . 40 LEU HG . 17023 1 369 . 1 1 40 40 LEU C C 13 180.023 0.003 . 1 . . . . 40 LEU C . 17023 1 370 . 1 1 40 40 LEU CA C 13 57.473 0.111 . 1 . . . . 40 LEU CA . 17023 1 371 . 1 1 40 40 LEU CB C 13 41.760 0.070 . 1 . . . . 40 LEU CB . 17023 1 372 . 1 1 40 40 LEU CD1 C 13 25.257 0.019 . 2 . . . . 40 LEU CD1 . 17023 1 373 . 1 1 40 40 LEU CD2 C 13 22.426 0.022 . 2 . . . . 40 LEU CD2 . 17023 1 374 . 1 1 40 40 LEU CG C 13 26.185 0.126 . 1 . . . . 40 LEU CG . 17023 1 375 . 1 1 40 40 LEU N N 15 119.274 0.338 . 1 . . . . 40 LEU N . 17023 1 376 . 1 1 41 41 GLN H H 1 7.785 0.025 . 1 . . . . 41 GLN H . 17023 1 377 . 1 1 41 41 GLN HA H 1 4.026 0.006 . 1 . . . . 41 GLN HA . 17023 1 378 . 1 1 41 41 GLN HB2 H 1 2.161 0.003 . 1 . . . . 41 GLN HB2 . 17023 1 379 . 1 1 41 41 GLN HE21 H 1 6.848 0.004 . 1 . . . . 41 GLN HE21 . 17023 1 380 . 1 1 41 41 GLN HE22 H 1 7.400 0.007 . 1 . . . . 41 GLN HE22 . 17023 1 381 . 1 1 41 41 GLN HG2 H 1 2.386 0.004 . 2 . . . . 41 GLN HG2 . 17023 1 382 . 1 1 41 41 GLN HG3 H 1 2.476 0.002 . 2 . . . . 41 GLN HG3 . 17023 1 383 . 1 1 41 41 GLN C C 13 178.137 0.009 . 1 . . . . 41 GLN C . 17023 1 384 . 1 1 41 41 GLN CA C 13 58.213 0.112 . 1 . . . . 41 GLN CA . 17023 1 385 . 1 1 41 41 GLN CB C 13 28.444 0.056 . 1 . . . . 41 GLN CB . 17023 1 386 . 1 1 41 41 GLN CD C 13 180.335 0.016 . 1 . . . . 41 GLN CD . 17023 1 387 . 1 1 41 41 GLN CG C 13 33.822 0.082 . 1 . . . . 41 GLN CG . 17023 1 388 . 1 1 41 41 GLN N N 15 118.290 0.312 . 1 . . . . 41 GLN N . 17023 1 389 . 1 1 41 41 GLN NE2 N 15 111.634 0.150 . 1 . . . . 41 GLN NE2 . 17023 1 390 . 1 1 42 42 ARG H H 1 7.869 0.031 . 1 . . . . 42 ARG H . 17023 1 391 . 1 1 42 42 ARG HA H 1 4.123 0.010 . 1 . . . . 42 ARG HA . 17023 1 392 . 1 1 42 42 ARG HB2 H 1 1.884 0.006 . 1 . . . . 42 ARG HB2 . 17023 1 393 . 1 1 42 42 ARG HD2 H 1 3.181 0.008 . 2 . . . . 42 ARG HD2 . 17023 1 394 . 1 1 42 42 ARG HD3 H 1 3.243 0.020 . 2 . . . . 42 ARG HD3 . 17023 1 395 . 1 1 42 42 ARG HG2 H 1 1.619 0.005 . 2 . . . . 42 ARG HG2 . 17023 1 396 . 1 1 42 42 ARG HG3 H 1 1.797 0.014 . 2 . . . . 42 ARG HG3 . 17023 1 397 . 1 1 42 42 ARG C C 13 178.372 0.010 . 1 . . . . 42 ARG C . 17023 1 398 . 1 1 42 42 ARG CA C 13 58.284 0.101 . 1 . . . . 42 ARG CA . 17023 1 399 . 1 1 42 42 ARG CB C 13 30.233 0.086 . 1 . . . . 42 ARG CB . 17023 1 400 . 1 1 42 42 ARG CD C 13 43.357 0.069 . 1 . . . . 42 ARG CD . 17023 1 401 . 1 1 42 42 ARG CG C 13 27.865 0.012 . 1 . . . . 42 ARG CG . 17023 1 402 . 1 1 42 42 ARG N N 15 119.057 0.352 . 1 . . . . 42 ARG N . 17023 1 403 . 1 1 43 43 GLN H H 1 7.829 0.030 . 1 . . . . 43 GLN H . 17023 1 404 . 1 1 43 43 GLN HA H 1 4.087 0.005 . 1 . . . . 43 GLN HA . 17023 1 405 . 1 1 43 43 GLN HB2 H 1 1.947 0.007 . 2 . . . . 43 GLN HB2 . 17023 1 406 . 1 1 43 43 GLN HB3 H 1 2.050 0.010 . 2 . . . . 43 GLN HB3 . 17023 1 407 . 1 1 43 43 GLN HE21 H 1 6.777 0.006 . 1 . . . . 43 GLN HE21 . 17023 1 408 . 1 1 43 43 GLN HE22 H 1 7.140 0.003 . 1 . . . . 43 GLN HE22 . 17023 1 409 . 1 1 43 43 GLN HG2 H 1 2.194 0.004 . 1 . . . . 43 GLN HG2 . 17023 1 410 . 1 1 43 43 GLN C C 13 177.450 0.027 . 1 . . . . 43 GLN C . 17023 1 411 . 1 1 43 43 GLN CA C 13 56.974 0.154 . 1 . . . . 43 GLN CA . 17023 1 412 . 1 1 43 43 GLN CB C 13 28.781 0.046 . 1 . . . . 43 GLN CB . 17023 1 413 . 1 1 43 43 GLN CG C 13 33.673 0.031 . 1 . . . . 43 GLN CG . 17023 1 414 . 1 1 43 43 GLN N N 15 118.107 0.338 . 1 . . . . 43 GLN N . 17023 1 415 . 1 1 43 43 GLN NE2 N 15 111.808 0.184 . 1 . . . . 43 GLN NE2 . 17023 1 416 . 1 1 44 44 GLN H H 1 7.954 0.043 . 1 . . . . 44 GLN H . 17023 1 417 . 1 1 44 44 GLN HA H 1 4.214 0.013 . 1 . . . . 44 GLN HA . 17023 1 418 . 1 1 44 44 GLN HB2 H 1 2.074 0.020 . 1 . . . . 44 GLN HB2 . 17023 1 419 . 1 1 44 44 GLN HE21 H 1 6.817 0.004 . 1 . . . . 44 GLN HE21 . 17023 1 420 . 1 1 44 44 GLN HE22 H 1 7.435 0.005 . 1 . . . . 44 GLN HE22 . 17023 1 421 . 1 1 44 44 GLN HG2 H 1 2.414 0.002 . 1 . . . . 44 GLN HG2 . 17023 1 422 . 1 1 44 44 GLN C C 13 176.723 0.020 . 1 . . . . 44 GLN C . 17023 1 423 . 1 1 44 44 GLN CA C 13 56.956 0.026 . 1 . . . . 44 GLN CA . 17023 1 424 . 1 1 44 44 GLN CB C 13 28.788 0.017 . 1 . . . . 44 GLN CB . 17023 1 425 . 1 1 44 44 GLN CG C 13 33.801 0.171 . 1 . . . . 44 GLN CG . 17023 1 426 . 1 1 44 44 GLN N N 15 118.974 0.442 . 1 . . . . 44 GLN N . 17023 1 427 . 1 1 44 44 GLN NE2 N 15 111.634 0.045 . 1 . . . . 44 GLN NE2 . 17023 1 428 . 1 1 45 45 ASN H H 1 8.151 0.045 . 1 . . . . 45 ASN H . 17023 1 429 . 1 1 45 45 ASN HA H 1 4.722 0.020 . 1 . . . . 45 ASN HA . 17023 1 430 . 1 1 45 45 ASN HB2 H 1 2.771 0.020 . 2 . . . . 45 ASN HB2 . 17023 1 431 . 1 1 45 45 ASN HB3 H 1 2.852 0.011 . 2 . . . . 45 ASN HB3 . 17023 1 432 . 1 1 45 45 ASN HD21 H 1 6.904 0.004 . 1 . . . . 45 ASN HD21 . 17023 1 433 . 1 1 45 45 ASN HD22 H 1 7.596 0.008 . 1 . . . . 45 ASN HD22 . 17023 1 434 . 1 1 45 45 ASN C C 13 175.776 0.150 . 1 . . . . 45 ASN C . 17023 1 435 . 1 1 45 45 ASN CA C 13 53.582 0.130 . 1 . . . . 45 ASN CA . 17023 1 436 . 1 1 45 45 ASN CB C 13 38.803 0.079 . 1 . . . . 45 ASN CB . 17023 1 437 . 1 1 45 45 ASN N N 15 118.277 0.480 . 1 . . . . 45 ASN N . 17023 1 438 . 1 1 45 45 ASN ND2 N 15 112.568 0.149 . 1 . . . . 45 ASN ND2 . 17023 1 439 . 1 1 46 46 SER H H 1 8.128 0.004 . 1 . . . . 46 SER H . 17023 1 440 . 1 1 46 46 SER HA H 1 4.400 0.020 . 1 . . . . 46 SER HA . 17023 1 441 . 1 1 46 46 SER HB2 H 1 3.935 0.020 . 1 . . . . 46 SER HB2 . 17023 1 442 . 1 1 46 46 SER C C 13 175.217 0.150 . 1 . . . . 46 SER C . 17023 1 443 . 1 1 46 46 SER CA C 13 59.415 0.105 . 1 . . . . 46 SER CA . 17023 1 444 . 1 1 46 46 SER CB C 13 63.871 0.015 . 1 . . . . 46 SER CB . 17023 1 445 . 1 1 46 46 SER N N 15 115.552 0.027 . 1 . . . . 46 SER N . 17023 1 446 . 1 1 47 47 GLY H H 1 8.316 0.042 . 1 . . . . 47 GLY H . 17023 1 447 . 1 1 47 47 GLY HA2 H 1 4.013 0.005 . 1 . . . . 47 GLY HA2 . 17023 1 448 . 1 1 47 47 GLY C C 13 174.237 0.011 . 1 . . . . 47 GLY C . 17023 1 449 . 1 1 47 47 GLY CA C 13 45.524 0.058 . 1 . . . . 47 GLY CA . 17023 1 450 . 1 1 47 47 GLY N N 15 110.274 0.417 . 1 . . . . 47 GLY N . 17023 1 451 . 1 1 48 48 ARG H H 1 7.959 0.051 . 1 . . . . 48 ARG H . 17023 1 452 . 1 1 48 48 ARG HA H 1 4.347 0.002 . 1 . . . . 48 ARG HA . 17023 1 453 . 1 1 48 48 ARG HB2 H 1 1.869 0.020 . 1 . . . . 48 ARG HB2 . 17023 1 454 . 1 1 48 48 ARG C C 13 176.280 0.040 . 1 . . . . 48 ARG C . 17023 1 455 . 1 1 48 48 ARG CA C 13 56.241 0.079 . 1 . . . . 48 ARG CA . 17023 1 456 . 1 1 48 48 ARG CB C 13 30.669 0.025 . 1 . . . . 48 ARG CB . 17023 1 457 . 1 1 48 48 ARG N N 15 120.094 0.509 . 1 . . . . 48 ARG N . 17023 1 458 . 1 1 49 49 MET H H 1 8.333 0.044 . 1 . . . . 49 MET H . 17023 1 459 . 1 1 49 49 MET HA H 1 4.516 0.002 . 1 . . . . 49 MET HA . 17023 1 460 . 1 1 49 49 MET HB2 H 1 2.016 0.002 . 2 . . . . 49 MET HB2 . 17023 1 461 . 1 1 49 49 MET HB3 H 1 2.110 0.001 . 2 . . . . 49 MET HB3 . 17023 1 462 . 1 1 49 49 MET HG2 H 1 2.558 0.008 . 2 . . . . 49 MET HG2 . 17023 1 463 . 1 1 49 49 MET HG3 H 1 2.624 0.001 . 2 . . . . 49 MET HG3 . 17023 1 464 . 1 1 49 49 MET C C 13 175.997 0.029 . 1 . . . . 49 MET C . 17023 1 465 . 1 1 49 49 MET CA C 13 55.346 0.013 . 1 . . . . 49 MET CA . 17023 1 466 . 1 1 49 49 MET CB C 13 33.007 0.071 . 1 . . . . 49 MET CB . 17023 1 467 . 1 1 49 49 MET CG C 13 32.065 0.150 . 1 . . . . 49 MET CG . 17023 1 468 . 1 1 49 49 MET N N 15 121.096 0.450 . 1 . . . . 49 MET N . 17023 1 469 . 1 1 50 50 SER H H 1 8.301 0.039 . 1 . . . . 50 SER H . 17023 1 470 . 1 1 50 50 SER HB2 H 1 3.878 0.020 . 1 . . . . 50 SER HB2 . 17023 1 471 . 1 1 50 50 SER C C 13 172.887 0.150 . 1 . . . . 50 SER C . 17023 1 472 . 1 1 50 50 SER CA C 13 56.527 0.150 . 1 . . . . 50 SER CA . 17023 1 473 . 1 1 50 50 SER CB C 13 63.557 0.006 . 1 . . . . 50 SER CB . 17023 1 474 . 1 1 50 50 SER N N 15 118.459 0.402 . 1 . . . . 50 SER N . 17023 1 475 . 1 1 51 51 PRO C C 13 177.137 0.150 . 1 . . . . 51 PRO C . 17023 1 476 . 1 1 51 51 PRO CA C 13 63.470 0.032 . 1 . . . . 51 PRO CA . 17023 1 477 . 1 1 51 51 PRO CB C 13 31.768 0.150 . 1 . . . . 51 PRO CB . 17023 1 478 . 1 1 52 52 MET H H 1 8.369 0.048 . 1 . . . . 52 MET H . 17023 1 479 . 1 1 52 52 MET C C 13 176.900 0.010 . 1 . . . . 52 MET C . 17023 1 480 . 1 1 52 52 MET CA C 13 55.890 0.103 . 1 . . . . 52 MET CA . 17023 1 481 . 1 1 52 52 MET CB C 13 32.576 0.136 . 1 . . . . 52 MET CB . 17023 1 482 . 1 1 52 52 MET N N 15 119.912 0.537 . 1 . . . . 52 MET N . 17023 1 483 . 1 1 53 53 GLY H H 1 8.358 0.044 . 1 . . . . 53 GLY H . 17023 1 484 . 1 1 53 53 GLY HA2 H 1 4.020 0.003 . 1 . . . . 53 GLY HA2 . 17023 1 485 . 1 1 53 53 GLY C C 13 174.333 0.033 . 1 . . . . 53 GLY C . 17023 1 486 . 1 1 53 53 GLY CA C 13 45.377 0.036 . 1 . . . . 53 GLY CA . 17023 1 487 . 1 1 53 53 GLY N N 15 110.105 0.424 . 1 . . . . 53 GLY N . 17023 1 488 . 1 1 54 54 THR H H 1 8.038 0.040 . 1 . . . . 54 THR H . 17023 1 489 . 1 1 54 54 THR HA H 1 4.356 0.008 . 1 . . . . 54 THR HA . 17023 1 490 . 1 1 54 54 THR HB H 1 4.250 0.020 . 1 . . . . 54 THR HB . 17023 1 491 . 1 1 54 54 THR HG21 H 1 1.216 0.020 . 1 . . . . 54 THR HG21 . 17023 1 492 . 1 1 54 54 THR HG22 H 1 1.216 0.020 . 1 . . . . 54 THR HG22 . 17023 1 493 . 1 1 54 54 THR HG23 H 1 1.216 0.020 . 1 . . . . 54 THR HG23 . 17023 1 494 . 1 1 54 54 THR C C 13 174.615 0.150 . 1 . . . . 54 THR C . 17023 1 495 . 1 1 54 54 THR CA C 13 61.845 0.008 . 1 . . . . 54 THR CA . 17023 1 496 . 1 1 54 54 THR CB C 13 70.066 0.048 . 1 . . . . 54 THR CB . 17023 1 497 . 1 1 54 54 THR CG2 C 13 21.558 0.150 . 1 . . . . 54 THR CG2 . 17023 1 498 . 1 1 54 54 THR N N 15 113.550 0.476 . 1 . . . . 54 THR N . 17023 1 499 . 1 1 55 55 ALA H H 1 8.406 0.037 . 1 . . . . 55 ALA H . 17023 1 500 . 1 1 55 55 ALA HA H 1 4.402 0.020 . 1 . . . . 55 ALA HA . 17023 1 501 . 1 1 55 55 ALA HB1 H 1 1.423 0.020 . 1 . . . . 55 ALA HB1 . 17023 1 502 . 1 1 55 55 ALA HB2 H 1 1.423 0.020 . 1 . . . . 55 ALA HB2 . 17023 1 503 . 1 1 55 55 ALA HB3 H 1 1.423 0.020 . 1 . . . . 55 ALA HB3 . 17023 1 504 . 1 1 55 55 ALA C C 13 177.794 0.001 . 1 . . . . 55 ALA C . 17023 1 505 . 1 1 55 55 ALA CA C 13 52.735 0.056 . 1 . . . . 55 ALA CA . 17023 1 506 . 1 1 55 55 ALA CB C 13 19.142 0.039 . 1 . . . . 55 ALA CB . 17023 1 507 . 1 1 55 55 ALA N N 15 126.617 0.413 . 1 . . . . 55 ALA N . 17023 1 508 . 1 1 56 56 SER H H 1 8.317 0.007 . 1 . . . . 56 SER H . 17023 1 509 . 1 1 56 56 SER HA H 1 4.453 0.020 . 1 . . . . 56 SER HA . 17023 1 510 . 1 1 56 56 SER HB2 H 1 3.879 0.020 . 1 . . . . 56 SER HB2 . 17023 1 511 . 1 1 56 56 SER C C 13 175.228 0.150 . 1 . . . . 56 SER C . 17023 1 512 . 1 1 56 56 SER CA C 13 58.493 0.025 . 1 . . . . 56 SER CA . 17023 1 513 . 1 1 56 56 SER CB C 13 63.812 0.131 . 1 . . . . 56 SER CB . 17023 1 514 . 1 1 56 56 SER N N 15 115.265 0.036 . 1 . . . . 56 SER N . 17023 1 515 . 1 1 57 57 GLY H H 1 8.404 0.003 . 1 . . . . 57 GLY H . 17023 1 516 . 1 1 57 57 GLY CA C 13 45.390 0.053 . 1 . . . . 57 GLY CA . 17023 1 517 . 1 1 57 57 GLY N N 15 110.922 0.045 . 1 . . . . 57 GLY N . 17023 1 518 . 1 1 58 58 SER H H 1 8.232 0.005 . 1 . . . . 58 SER H . 17023 1 519 . 1 1 58 58 SER CA C 13 58.323 0.150 . 1 . . . . 58 SER CA . 17023 1 520 . 1 1 58 58 SER CB C 13 63.904 0.150 . 1 . . . . 58 SER CB . 17023 1 521 . 1 1 58 58 SER N N 15 115.531 0.040 . 1 . . . . 58 SER N . 17023 1 522 . 1 1 59 59 ASN H H 1 8.476 0.034 . 1 . . . . 59 ASN H . 17023 1 523 . 1 1 59 59 ASN HD21 H 1 6.907 0.002 . 1 . . . . 59 ASN HD21 . 17023 1 524 . 1 1 59 59 ASN HD22 H 1 7.582 0.003 . 1 . . . . 59 ASN HD22 . 17023 1 525 . 1 1 59 59 ASN C C 13 174.878 0.150 . 1 . . . . 59 ASN C . 17023 1 526 . 1 1 59 59 ASN CA C 13 53.373 0.087 . 1 . . . . 59 ASN CA . 17023 1 527 . 1 1 59 59 ASN CB C 13 39.059 0.028 . 1 . . . . 59 ASN CB . 17023 1 528 . 1 1 59 59 ASN N N 15 120.644 0.336 . 1 . . . . 59 ASN N . 17023 1 529 . 1 1 59 59 ASN ND2 N 15 112.726 0.157 . 1 . . . . 59 ASN ND2 . 17023 1 530 . 1 1 60 60 SER H H 1 8.194 0.041 . 1 . . . . 60 SER H . 17023 1 531 . 1 1 60 60 SER C C 13 172.684 0.150 . 1 . . . . 60 SER C . 17023 1 532 . 1 1 60 60 SER CA C 13 56.391 0.150 . 1 . . . . 60 SER CA . 17023 1 533 . 1 1 60 60 SER CB C 13 63.485 0.150 . 1 . . . . 60 SER CB . 17023 1 534 . 1 1 60 60 SER N N 15 117.251 0.481 . 1 . . . . 60 SER N . 17023 1 535 . 1 1 61 61 PRO C C 13 176.426 0.016 . 1 . . . . 61 PRO C . 17023 1 536 . 1 1 61 61 PRO CA C 13 63.793 0.150 . 1 . . . . 61 PRO CA . 17023 1 537 . 1 1 61 61 PRO CB C 13 31.993 0.007 . 1 . . . . 61 PRO CB . 17023 1 538 . 1 1 62 62 THR H H 1 7.763 0.037 . 1 . . . . 62 THR H . 17023 1 539 . 1 1 62 62 THR HA H 1 4.146 0.002 . 1 . . . . 62 THR HA . 17023 1 540 . 1 1 62 62 THR HB H 1 4.231 0.003 . 1 . . . . 62 THR HB . 17023 1 541 . 1 1 62 62 THR HG21 H 1 1.178 0.003 . 1 . . . . 62 THR HG21 . 17023 1 542 . 1 1 62 62 THR HG22 H 1 1.178 0.003 . 1 . . . . 62 THR HG22 . 17023 1 543 . 1 1 62 62 THR HG23 H 1 1.178 0.003 . 1 . . . . 62 THR HG23 . 17023 1 544 . 1 1 62 62 THR C C 13 179.327 0.000 . 1 . . . . 62 THR C . 17023 1 545 . 1 1 62 62 THR CA C 13 63.339 0.029 . 1 . . . . 62 THR CA . 17023 1 546 . 1 1 62 62 THR CB C 13 71.050 0.072 . 1 . . . . 62 THR CB . 17023 1 547 . 1 1 62 62 THR CG2 C 13 22.060 0.150 . 1 . . . . 62 THR CG2 . 17023 1 548 . 1 1 62 62 THR N N 15 119.132 0.442 . 1 . . . . 62 THR N . 17023 1 stop_ save_