data_17024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17024 _Entry.Title ; Solution structure of the non-covalent complex of the ZNF216 A20 domain with ubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-29 _Entry.Accession_date 2010-06-29 _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 derived solution structure of the A20 zinc finger of ZNF216 with ubiquitin derived from NOE, PRE and RDC measurements' _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. . 17024 2 Jed Long . E. . 17024 3 Mark Searle . S. . 17024 4 Robert Layfield . . . 17024 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' . 17024 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' . 17024 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'A20 domain' . 17024 ubiquitin . 17024 'ubiquitin binding' . 17024 'zinc finger' . 17024 ZNF216 . 17024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 17024 '15N chemical shifts' 65 17024 '1H chemical shifts' 210 17024 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 2010-06-29 original author . 17024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17023 'free ZNF216 A20' 17024 PDB 2kzy 'free ZNF216 A20' 17024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17024 _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. . 17024 1 2 Joanna Strachan . . . 17024 1 3 Jed Long . E. . 17024 1 4 Robert Layfield . . . 17024 1 5 Mark Searle . S. . 17024 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR Structural analysis' 17024 1 'ubiquitin binding domains' 17024 1 ZNF216 17024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17024 _Assembly.ID 1 _Assembly.Name 'Znf_A20:ubiquitin complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11950.78 _Assembly.Enzyme_commission_number . _Assembly.Details 'Non covalent complex of the A20 zinc finger of ZNF216 with ubiquitin' _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 . Protein 'A20 zinc finger, coordinates the Zinc component by four cysteine thiol groups and interacts non covalently with ubiquitin' 17024 1 2 Zinc 3 $ZN A . no native no no . 'structural co factor' 'Zinc is a structural cofactor for the Znf_A20 zinc finger' 17024 1 3 Ubiquitin 2 $ubiquitin A . yes native yes no . Protein 'Forms a non covalent interaction with the Znf_A20 component' 17024 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 3 ZN 1 1 ZN . . . . . . . . . . 17024 1 2 coordination single . 1 . 1 CYS 20 20 SG . 2 Zinc 3 ZN 1 1 ZN . . . . . . . . . . 17024 1 3 coordination single . 1 . 1 CYS 32 32 SG . 2 Zinc 3 ZN 1 1 ZN . . . . . . . . . . 17024 1 4 coordination single . 1 . 1 CYS 35 35 SG . 2 Zinc 3 ZN 1 1 ZN . . . . . . . . . . 17024 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 17024 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 17024 1 . . 1 1 CYS 16 16 HG . 16 CYS HG 17024 1 . . 1 1 CYS 20 20 HG . 20 CYS HG 17024 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 2FIF_E . . X-ray . ubiquitin 'Human ubiquitin used as the basis for homology model of yeast ubiquitin' 17024 1 yes PDB 2kzy . . 'solution NMR' . Znf_A20 'Znf_A20 of ZNF216' 17024 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 2 3 'Slow exchange' 17024 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Proteasomal shuttling' 17024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZNF216-A20 _Entity.Sf_category entity _Entity.Sf_framecode ZNF216-A20 _Entity.Entry_ID 17024 _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 'Numbering for the sequence is plus 2 for the native sequence, only residues 14 to 47 are included here' _Entity.Polymer_author_seq_details ; Only residue numbers 12 to 47 were included during the final docking protocol, the flexible termini were removed as per the recommendations for the docking program HADDOCK. Quoted Mwt is for the presented fragment not the full sequence ; _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 3868.3 _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 yes UNP B5DF11-1 . ZNF216 . . . . . . . . . . . . . . 17024 1 2 no BMRB 17023 . ZNF216-A20 . . . . . 100.00 62 100.00 100.00 1.10e-35 . . . . 17024 1 3 no PDB 2KZY . "Solution Nmr Structure Of The Znf216 A20 Zinc Finger" . . . . . 100.00 62 100.00 100.00 1.10e-35 . . . . 17024 1 4 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 . . . . 17024 1 5 no DBJ BAC36321 . "unnamed protein product [Mus musculus]" . . . . . 96.77 213 100.00 100.00 1.88e-34 . . . . 17024 1 6 no DBJ BAF83538 . "unnamed protein product [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 7 no DBJ BAG73932 . "zinc finger, AN1-type domain containing protein 5 [synthetic construct]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 8 no GB AAC42600 . "zinc finger protein ZNF216 [Mus musculus]" . . . . . 96.77 213 100.00 100.00 1.88e-34 . . . . 17024 1 9 no GB AAC42601 . "zinc finger protein 216 splice variant 1 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 10 no GB AAC42602 . "zinc finger protein 216 splice variant 2 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 11 no GB AAC61801 . "zinc finger protein 216 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 12 no GB AAH11018 . "Zinc finger, AN1-type domain 5 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 13 no REF NP_001090975 . "AN1-type zinc finger protein 5 [Sus scrofa]" . . . . . 96.77 213 100.00 100.00 1.73e-34 . . . . 17024 1 14 no REF NP_001094515 . "AN1-type zinc finger protein 5 [Bos taurus]" . . . . . 96.77 213 100.00 100.00 1.77e-34 . . . . 17024 1 15 no REF NP_001095890 . "AN1-type zinc finger protein 5 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 16 no REF NP_001095891 . "AN1-type zinc finger protein 5 [Homo sapiens]" . . . . . 96.77 213 100.00 100.00 1.81e-34 . . . . 17024 1 17 no REF NP_001157077 . "AN1-type zinc finger protein 5 [Ovis aries]" . . . . . 96.77 213 100.00 100.00 1.77e-34 . . . . 17024 1 18 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 . . . . 17024 1 19 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 . . . . 17024 1 20 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 . . . . 17024 1 21 no TPG DAA26877 . "TPA: zinc finger, AN1-type domain 5 [Bos taurus]" . . . . . 96.77 213 100.00 100.00 1.77e-34 . . . . 17024 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Linked to muscle Atrophy' 17024 1 'Proteasomal shuttling protein' 17024 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 . 17024 1 2 . SER . 17024 1 3 . MET . 17024 1 4 . ALA . 17024 1 5 . GLN . 17024 1 6 . GLU . 17024 1 7 . THR . 17024 1 8 . ASN . 17024 1 9 . GLN . 17024 1 10 . THR . 17024 1 11 . PRO . 17024 1 12 . GLY . 17024 1 13 . PRO . 17024 1 14 . MET . 17024 1 15 . LEU . 17024 1 16 . CYS . 17024 1 17 . SER . 17024 1 18 . THR . 17024 1 19 . GLY . 17024 1 20 . CYS . 17024 1 21 . GLY . 17024 1 22 . PHE . 17024 1 23 . TYR . 17024 1 24 . GLY . 17024 1 25 . ASN . 17024 1 26 . PRO . 17024 1 27 . ARG . 17024 1 28 . THR . 17024 1 29 . ASN . 17024 1 30 . GLY . 17024 1 31 . MET . 17024 1 32 . CYS . 17024 1 33 . SER . 17024 1 34 . VAL . 17024 1 35 . CYS . 17024 1 36 . TYR . 17024 1 37 . LYS . 17024 1 38 . GLU . 17024 1 39 . HIS . 17024 1 40 . LEU . 17024 1 41 . GLN . 17024 1 42 . ARG . 17024 1 43 . GLN . 17024 1 44 . GLN . 17024 1 45 . ASN . 17024 1 46 . SER . 17024 1 47 . GLY . 17024 1 48 . ARG . 17024 1 49 . MET . 17024 1 50 . SER . 17024 1 51 . PRO . 17024 1 52 . MET . 17024 1 53 . GLY . 17024 1 54 . THR . 17024 1 55 . ALA . 17024 1 56 . SER . 17024 1 57 . GLY . 17024 1 58 . SER . 17024 1 59 . ASN . 17024 1 60 . SER . 17024 1 61 . PRO . 17024 1 62 . THR . 17024 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 17024 1 . SER 2 2 17024 1 . MET 3 3 17024 1 . ALA 4 4 17024 1 . GLN 5 5 17024 1 . GLU 6 6 17024 1 . THR 7 7 17024 1 . ASN 8 8 17024 1 . GLN 9 9 17024 1 . THR 10 10 17024 1 . PRO 11 11 17024 1 . GLY 12 12 17024 1 . PRO 13 13 17024 1 . MET 14 14 17024 1 . LEU 15 15 17024 1 . CYS 16 16 17024 1 . SER 17 17 17024 1 . THR 18 18 17024 1 . GLY 19 19 17024 1 . CYS 20 20 17024 1 . GLY 21 21 17024 1 . PHE 22 22 17024 1 . TYR 23 23 17024 1 . GLY 24 24 17024 1 . ASN 25 25 17024 1 . PRO 26 26 17024 1 . ARG 27 27 17024 1 . THR 28 28 17024 1 . ASN 29 29 17024 1 . GLY 30 30 17024 1 . MET 31 31 17024 1 . CYS 32 32 17024 1 . SER 33 33 17024 1 . VAL 34 34 17024 1 . CYS 35 35 17024 1 . TYR 36 36 17024 1 . LYS 37 37 17024 1 . GLU 38 38 17024 1 . HIS 39 39 17024 1 . LEU 40 40 17024 1 . GLN 41 41 17024 1 . ARG 42 42 17024 1 . GLN 43 43 17024 1 . GLN 44 44 17024 1 . ASN 45 45 17024 1 . SER 46 46 17024 1 . GLY 47 47 17024 1 . ARG 48 48 17024 1 . MET 49 49 17024 1 . SER 50 50 17024 1 . PRO 51 51 17024 1 . MET 52 52 17024 1 . GLY 53 53 17024 1 . THR 54 54 17024 1 . ALA 55 55 17024 1 . SER 56 56 17024 1 . GLY 57 57 17024 1 . SER 58 58 17024 1 . ASN 59 59 17024 1 . SER 60 60 17024 1 . PRO 61 61 17024 1 . THR 62 62 17024 1 stop_ save_ save_ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode ubiquitin _Entity.Entry_ID 17024 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ubiquitin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVESS DTIDNVKSKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Native Sequence' _Entity.Polymer_author_seq_details ; native yeast ubiquitin with the flexible C terminus removed (5 residues) Mwt is given for the fragment used for docking ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ubiquitin core domain' _Entity.Mutation 'A K48C mutant was used during the generation of this complex for the covalent attatchment of the spin label MTSL. But the reported molecule is the native sequence used for the majority of the study' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8017.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 15592 . ubiquitin . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 2 no BMRB 4769 . yUb . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 17024 2 3 no BMRB 4983 . Ubiquitin . . . . . 98.68 76 98.67 98.67 4.08e-44 . . . . 17024 2 4 no PDB 1OTR . "Solution Structure Of A Cue-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 5 no PDB 1Q0W . "Solution Structure Of Vps27 Amino-Terminal Uim-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 6 no PDB 1VW8 . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The La" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 7 no PDB 1VW9 . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The Sm" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 17024 2 8 no PDB 1VWU . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Lar" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 9 no PDB 1VWV . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Sma" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 17024 2 10 no PDB 1VXV . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 11 no PDB 1VXW . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 17024 2 12 no PDB 1VXY . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 13 no PDB 1VXZ . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 17024 2 14 no PDB 1WR1 . "The Complex Sturcture Of Dsk2p Uba With Ubiquitin" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 15 no PDB 2G3Q . "Solution Structure Of Ede1 Uba-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 16 no PDB 2JT4 . "Solution Structure Of The Sla1 Sh3-3-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 17 no PDB 2JWZ . "Mutations In The Hydrophobic Core Of Ubiquitin Differentially Affect Its Recognition By Receptor Proteins" . . . . . 100.00 76 98.68 98.68 8.32e-45 . . . . 17024 2 18 no PDB 2L00 . "Solution Structure Of The Non-Covalent Complex Of The Znf216 A20 Domain With Ubiquitin" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 19 no PDB 3CMM . "Crystal Structure Of The Uba1-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 17024 2 20 no PDB 3J60 . "Localization Of The Small Subunit Ribosomal Proteins Into A 5.5 A Cryo-em Map Of Triticum Aestivum Translating 80s Ribosome" . . . . . 100.00 155 97.37 100.00 6.54e-45 . . . . 17024 2 21 no PDB 3J80 . "Cryoem Structure Of 40s-eif1-eif1a Preinitiation Complex" . . . . . 100.00 150 100.00 100.00 2.79e-45 . . . . 17024 2 22 no PDB 3J81 . "Cryoem Structure Of A Partial Yeast 48s Preinitiation Complex" . . . . . 100.00 150 100.00 100.00 2.79e-45 . . . . 17024 2 23 no PDB 3L0W . "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position Two" . . . . . 100.00 169 100.00 100.00 1.30e-44 . . . . 17024 2 24 no PDB 3L10 . "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position One" . . . . . 100.00 169 100.00 100.00 1.30e-44 . . . . 17024 2 25 no PDB 3OLM . "Structure And Function Of A Ubiquitin Binding Site Within The Catalytic Domain Of A Hect Ubiquitin Ligase" . . . . . 100.00 79 100.00 100.00 5.40e-46 . . . . 17024 2 26 no PDB 3U5C . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 40s Subunit, Ribosome A" . . . . . 100.00 152 100.00 100.00 1.67e-45 . . . . 17024 2 27 no PDB 3U5E . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome A" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 28 no PDB 3U5G . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 40s Subunit, Ribosome B" . . . . . 100.00 152 100.00 100.00 1.80e-45 . . . . 17024 2 29 no PDB 3U5I . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome B" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 30 no PDB 4B6A . "Cryo-Em Structure Of The 60s Ribosomal Subunit In Complex With Arx1 And Rei1" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 31 no PDB 4BYL . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 152 100.00 100.00 1.67e-45 . . . . 17024 2 32 no PDB 4BYN . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 33 no PDB 4BYT . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 152 100.00 100.00 1.67e-45 . . . . 17024 2 34 no PDB 4BYU . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 35 no PDB 4CUW . "Kluyveromyces Lactis 80s Ribosome In Complex With Crpv-ires" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 36 no PDB 4HCN . "Crystal Structure Of Burkholderia Pseudomallei Effector Protein Chbp In Complex With Ubiquitin" . . . . . 100.00 98 100.00 100.00 8.40e-46 . . . . 17024 2 37 no PDB 4II3 . "Crystal Structure Of S. Pombe Ubiquitin Activating Enzyme 1 (uba1) In Complex With Ubiquitin And Atp/mg" . . . . . 100.00 96 100.00 100.00 5.66e-46 . . . . 17024 2 38 no PDB 4NNJ . "Crystal Structure Of Uba1 In Complex With Ubiquitin-amp And Thioesterified Ubiquitin" . . . . . 100.00 79 100.00 100.00 4.89e-46 . . . . 17024 2 39 no PDB 4Q5E . "Shigella Effector Kinase Ospg Bound To E2-ub Ubch7-ub Conjugate" . . . . . 98.68 76 98.67 100.00 1.37e-44 . . . . 17024 2 40 no PDB 4Q5H . "Shigella Effector Kinase Ospg Bound To Amppnp And E2-ub Ubch7-ub Conjugate" . . . . . 98.68 76 98.67 100.00 1.37e-44 . . . . 17024 2 41 no DBJ BAA02154 . "ubiquitin/ribosomal polyprotein [Oryza sativa Japonica Group]" . . . . . 100.00 129 97.37 100.00 3.22e-45 . . . . 17024 2 42 no DBJ BAA03764 . "ubiquitin [Glycine max]" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 17024 2 43 no DBJ BAA05085 . "Ubiquitin [Glycine max]" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 17024 2 44 no DBJ BAA05670 . "ubiquitin [Glycine max]" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 17024 2 45 no DBJ BAA76889 . "ubiquitin [Trichophyton mentagrophytes]" . . . . . 100.00 153 98.68 100.00 2.44e-44 . . . . 17024 2 46 no EMBL CAA07773 . "polyubiquitin [Fusarium sambucinum]" . . . . . 100.00 305 100.00 100.00 4.37e-43 . . . . 17024 2 47 no EMBL CAA10056 . "polyubiquitin [Vicia faba]" . . . . . 100.00 229 97.37 100.00 2.91e-43 . . . . 17024 2 48 no EMBL CAA11267 . "polyubiquitin [Nicotiana tabacum]" . . . . . 100.00 305 100.00 100.00 4.37e-43 . . . . 17024 2 49 no EMBL CAA11268 . "ubiquitin extension protein [Nicotiana tabacum]" . . . . . 100.00 156 97.37 100.00 6.73e-45 . . . . 17024 2 50 no EMBL CAA21278 . "ubiquitin [Schizosaccharomyces pombe]" . . . . . 100.00 382 100.00 100.00 2.23e-42 . . . . 17024 2 51 no GB AAA03351 . "ubiquitin/ribosomal protein S27a fusion protein [Neurospora crassa]" . . . . . 100.00 154 98.68 98.68 9.80e-45 . . . . 17024 2 52 no GB AAA19247 . "ubiquitin/ribosomal fusion protein [Solanum tuberosum]" . . . . . 100.00 156 97.37 100.00 9.42e-45 . . . . 17024 2 53 no GB AAA32904 . "ubiquitin extension protein (UBQ1) [Arabidopsis thaliana]" . . . . . 100.00 128 97.37 100.00 2.96e-45 . . . . 17024 2 54 no GB AAA32905 . "ubiquitin extension protein (UBQ2) [Arabidopsis thaliana]" . . . . . 100.00 128 97.37 100.00 2.96e-45 . . . . 17024 2 55 no GB AAA32906 . "ubiquitin extension protein (UBQ5) [Arabidopsis thaliana]" . . . . . 100.00 157 97.37 100.00 7.98e-45 . . . . 17024 2 56 no PIR G85036 . "polyubiquitin [imported] - Arabidopsis thaliana" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 17024 2 57 no PIR JS0657 . "ubiquitin / ribosomal protein S27a - maize" . . . . . 100.00 155 97.37 100.00 6.26e-45 . . . . 17024 2 58 no PIR S28426 . "polyubiquitin 4 - wild oat" . . . . . 100.00 305 97.37 100.00 1.77e-42 . . . . 17024 2 59 no PIR S42643 . "ubiquitin / ribosomal protein S27a - potato (fragment)" . . . . . 100.00 126 97.37 100.00 1.57e-45 . . . . 17024 2 60 no PIR S49332 . "polyubiquitin 4 - common sunflower" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 17024 2 61 no PRF 1101405A . "ubiquitin precursor" . . . . . 50.00 191 100.00 100.00 3.40e-16 . . . . 17024 2 62 no PRF 1207189A . ubiquitin . . . . . 100.00 76 97.37 100.00 3.68e-45 . . . . 17024 2 63 no PRF 1515347A . poly-ubiquitin . . . . . 100.00 382 97.37 100.00 8.03e-42 . . . . 17024 2 64 no PRF 1603402A . poly-ubiquitin . . . . . 100.00 381 97.37 100.00 8.23e-42 . . . . 17024 2 65 no PRF 1604470A . poly-ubiquitin . . . . . 55.26 272 97.62 100.00 2.03e-19 . . . . 17024 2 66 no REF NP_001031585 . "ubiquitin 11 [Arabidopsis thaliana]" . . . . . 100.00 229 97.37 100.00 2.91e-43 . . . . 17024 2 67 no REF NP_001031824 . "polyubiquitin 3 [Arabidopsis thaliana]" . . . . . 100.00 306 97.37 100.00 1.88e-42 . . . . 17024 2 68 no REF NP_001042915 . "Os01g0328400 [Oryza sativa Japonica Group]" . . . . . 100.00 155 97.37 100.00 6.26e-45 . . . . 17024 2 69 no REF NP_001045980 . "Os02g0161900 [Oryza sativa Japonica Group]" . . . . . 100.00 457 97.37 100.00 2.27e-41 . . . . 17024 2 70 no REF NP_001049479 . "Os03g0234200 [Oryza sativa Japonica Group]" . . . . . 100.00 129 97.37 100.00 3.22e-45 . . . . 17024 2 71 no SP B9DHA6 . "RecName: Full=Ubiquitin-60S ribosomal protein L40-1; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=60S ribosomal p" . . . . . 100.00 128 97.37 100.00 2.96e-45 . . . . 17024 2 72 no SP P05759 . "RecName: Full=Ubiquitin-40S ribosomal protein S31; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pro" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 17024 2 73 no SP P0C016 . "RecName: Full=Ubiquitin-40S ribosomal protein S27a; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pr" . . . . . 100.00 150 100.00 100.00 1.62e-45 . . . . 17024 2 74 no SP P0C224 . "RecName: Full=Ubiquitin-60S ribosomal protein L40; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=60S ribosomal pro" . . . . . 100.00 128 98.68 98.68 3.49e-45 . . . . 17024 2 75 no SP P0C8R3 . "RecName: Full=Ubiquitin-40S ribosomal protein S27b; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pr" . . . . . 100.00 150 100.00 100.00 1.46e-45 . . . . 17024 2 76 no TPD FAA00316 . "TPA: polyubiquitin [Eremothecium gossypii]" . . . . . 100.00 380 100.00 100.00 1.98e-42 . . . . 17024 2 77 no TPD FAA00317 . "TPA: polyubiquitin [Aspergillus nidulans FGSC A4]" . . . . . 100.00 304 98.68 100.00 1.14e-42 . . . . 17024 2 78 no TPD FAA00318 . "TPA: polyubiquitin [Saccharomyces paradoxus NRRL Y-17217]" . . . . . 100.00 380 100.00 100.00 1.98e-42 . . . . 17024 2 79 no TPD FAA00319 . "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" . . . . . 100.00 456 98.68 100.00 1.16e-41 . . . . 17024 2 80 no TPE CBF76581 . "TPA: Putative uncharacterized proteinUBI1 ; [Source:UniProtKB/TrEMBL;Acc:Q9UV58] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 154 98.68 100.00 7.23e-45 . . . . 17024 2 81 no TPE CBF85986 . "TPA: Polyubiquitin Fragment [Source:UniProtKB/TrEMBL;Acc:A2RVC1] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 305 98.68 100.00 1.19e-42 . . . . 17024 2 82 no TPG DAA08405 . "TPA: ubiquitin-ribosomal 60S subunit protein L40A fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 83 no TPG DAA09244 . "TPA: ubiquitin-ribosomal 60S subunit protein L40B fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 17024 2 84 no TPG DAA09283 . "TPA: ubiquitin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 381 100.00 100.00 2.02e-42 . . . . 17024 2 85 no TPG DAA09489 . "TPA: ubiquitin-ribosomal 40S subunit protein S31 fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 17024 2 86 no TPG DAA39608 . "TPA: Ubiquitin fusion protein [Zea mays]" . . . . . 100.00 129 97.37 100.00 2.18e-45 . . . . 17024 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Is covalently attatched to other proteins at lysine residsues. Signal for degradation and key signalling molecule in multiple processes' 17024 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 . MET . 17024 2 2 . GLN . 17024 2 3 . ILE . 17024 2 4 . PHE . 17024 2 5 . VAL . 17024 2 6 . LYS . 17024 2 7 . THR . 17024 2 8 . LEU . 17024 2 9 . THR . 17024 2 10 . GLY . 17024 2 11 . LYS . 17024 2 12 . THR . 17024 2 13 . ILE . 17024 2 14 . THR . 17024 2 15 . LEU . 17024 2 16 . GLU . 17024 2 17 . VAL . 17024 2 18 . GLU . 17024 2 19 . SER . 17024 2 20 . SER . 17024 2 21 . ASP . 17024 2 22 . THR . 17024 2 23 . ILE . 17024 2 24 . ASP . 17024 2 25 . ASN . 17024 2 26 . VAL . 17024 2 27 . LYS . 17024 2 28 . SER . 17024 2 29 . LYS . 17024 2 30 . ILE . 17024 2 31 . GLN . 17024 2 32 . ASP . 17024 2 33 . LYS . 17024 2 34 . GLU . 17024 2 35 . GLY . 17024 2 36 . ILE . 17024 2 37 . PRO . 17024 2 38 . PRO . 17024 2 39 . ASP . 17024 2 40 . GLN . 17024 2 41 . GLN . 17024 2 42 . ARG . 17024 2 43 . LEU . 17024 2 44 . ILE . 17024 2 45 . PHE . 17024 2 46 . ALA . 17024 2 47 . GLY . 17024 2 48 . LYS . 17024 2 49 . GLN . 17024 2 50 . LEU . 17024 2 51 . GLU . 17024 2 52 . ASP . 17024 2 53 . GLY . 17024 2 54 . ARG . 17024 2 55 . THR . 17024 2 56 . LEU . 17024 2 57 . SER . 17024 2 58 . ASP . 17024 2 59 . TYR . 17024 2 60 . ASN . 17024 2 61 . ILE . 17024 2 62 . GLN . 17024 2 63 . LYS . 17024 2 64 . GLU . 17024 2 65 . SER . 17024 2 66 . THR . 17024 2 67 . LEU . 17024 2 68 . HIS . 17024 2 69 . LEU . 17024 2 70 . VAL . 17024 2 71 . LEU . 17024 2 72 . ARG . 17024 2 73 . LEU . 17024 2 74 . ARG . 17024 2 75 . GLY . 17024 2 76 . GLY . 17024 2 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 17024 2 . GLN 2 2 17024 2 . ILE 3 3 17024 2 . PHE 4 4 17024 2 . VAL 5 5 17024 2 . LYS 6 6 17024 2 . THR 7 7 17024 2 . LEU 8 8 17024 2 . THR 9 9 17024 2 . GLY 10 10 17024 2 . LYS 11 11 17024 2 . THR 12 12 17024 2 . ILE 13 13 17024 2 . THR 14 14 17024 2 . LEU 15 15 17024 2 . GLU 16 16 17024 2 . VAL 17 17 17024 2 . GLU 18 18 17024 2 . SER 19 19 17024 2 . SER 20 20 17024 2 . ASP 21 21 17024 2 . THR 22 22 17024 2 . ILE 23 23 17024 2 . ASP 24 24 17024 2 . ASN 25 25 17024 2 . VAL 26 26 17024 2 . LYS 27 27 17024 2 . SER 28 28 17024 2 . LYS 29 29 17024 2 . ILE 30 30 17024 2 . GLN 31 31 17024 2 . ASP 32 32 17024 2 . LYS 33 33 17024 2 . GLU 34 34 17024 2 . GLY 35 35 17024 2 . ILE 36 36 17024 2 . PRO 37 37 17024 2 . PRO 38 38 17024 2 . ASP 39 39 17024 2 . GLN 40 40 17024 2 . GLN 41 41 17024 2 . ARG 42 42 17024 2 . LEU 43 43 17024 2 . ILE 44 44 17024 2 . PHE 45 45 17024 2 . ALA 46 46 17024 2 . GLY 47 47 17024 2 . LYS 48 48 17024 2 . GLN 49 49 17024 2 . LEU 50 50 17024 2 . GLU 51 51 17024 2 . ASP 52 52 17024 2 . GLY 53 53 17024 2 . ARG 54 54 17024 2 . THR 55 55 17024 2 . LEU 56 56 17024 2 . SER 57 57 17024 2 . ASP 58 58 17024 2 . TYR 59 59 17024 2 . ASN 60 60 17024 2 . ILE 61 61 17024 2 . GLN 62 62 17024 2 . LYS 63 63 17024 2 . GLU 64 64 17024 2 . SER 65 65 17024 2 . THR 66 66 17024 2 . LEU 67 67 17024 2 . HIS 68 68 17024 2 . LEU 69 69 17024 2 . VAL 70 70 17024 2 . LEU 71 71 17024 2 . ARG 72 72 17024 2 . LEU 73 73 17024 2 . ARG 74 74 17024 2 . GLY 75 75 17024 2 . GLY 76 76 17024 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17024 _Entity.ID 3 _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 3 _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 . 17024 3 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 17024 _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 ; . . 17024 1 2 2 $ubiquitin . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . UBI1 . Synonyms:RPL40A . . 17024 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 17024 _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' . . 17024 1 2 2 $ubiquitin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'c41 (DE3)' . . . . . . . . . . . . . . . pkk223-3 . . . 'Expressed as the native protein without affinity tag' . . 17024 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 17024 _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 17024 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17024 ZN [Zn++] SMILES CACTVS 3.341 17024 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17024 ZN [Zn+2] SMILES ACDLabs 10.04 17024 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17024 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17024 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 17024 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17024 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 . 17024 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17024 _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 . . 4 . . mM 0.1 . . . 17024 1 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17024 1 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 1 6 ubiquitin '[U-100% 15N]' . . 2 $ubiquitin . . 1 . . mM 0.1 . . . 17024 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17024 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The spin label MTSL was covalently attached to a K48C mutant of ubiquitin to measure inter molecular PRE' _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 . . 1.0 . . mM 0.1 . . . 17024 2 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 2 3 MTSL 'natural abundance' . . . . . . 4 . . mM 0.1 . . . 17024 2 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 2 6 ubiquitin 'natural abundance' . . 2 $ubiquitin . . 4 . . mM 0.1 . . . 17024 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17024 _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 . . . 17024 3 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 3 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17024 3 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 3 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 3 6 ubiquitin 'natural abundance' . . 2 $ubiquitin . . 2 . . mM 0.1 . . . 17024 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17024 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample 2 soaked in 5% 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 . . 1.0 . . mM 0.1 . . . 17024 4 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 4 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17024 4 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 4 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 4 6 'Polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % 0.5 . . . 17024 4 7 ubiquitin 'natural abundance' . . 2 $ubiquitin . . 4 . . mM 0.1 . . . 17024 4 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 4 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17024 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample 2 soaked in 5% 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 'natural abundance' . . 1 $ZNF216-A20 . . 4 . . mM 0.1 . . . 17024 5 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 5 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17024 5 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 5 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 5 6 'Polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % 0.5 . . . 17024 5 7 ubiquitin '[U-100% 15N]' . . 2 $ubiquitin . . 1 . . mM 0.1 . . . 17024 5 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 5 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17024 _Sample.ID 6 _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 'natural abundance' . . 1 $ZNF216-A20 . . 2 . . mM 0.2 . . . 17024 6 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 6 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17024 6 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 6 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 6 6 ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $ubiquitin . . 1 . . mM 0.1 . . . 17024 6 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 6 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 6 stop_ save_ save_sample_2a _Sample.Sf_category sample _Sample.Sf_framecode sample_2a _Sample.Entry_ID 17024 _Sample.ID 7 _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 '[U-100% 15N]' . . 1 $ZNF216-A20 . . 1 . . mM 0.1 . . . 17024 7 2 ZnCl2 'natural abundance' . . 3 $ZN . . 50 . . uM 0.2 . . . 17024 7 3 DSS 'natural abundance' . . . . . . 0.1 . . mM 0.01 . . . 17024 7 4 TRIS 'natural abundance' . . . . . . 5 . . mM 0.5 . . . 17024 7 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 17024 7 6 ubiquitin 'natural abundance' . . 2 $ubiquitin . . 4 . . mM 0.1 . . . 17024 7 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17024 7 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17024 7 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 17024 _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 17024 1 pH 7 0.1 pH 17024 1 pressure 1 . atm 17024 1 temperature 298 0.05 K 17024 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17024 _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' . . 17024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17024 1 processing 17024 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17024 _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 . . 17024 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17024 2 'chemical shift calculation' 17024 2 'data analysis' 17024 2 'peak picking' 17024 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17024 _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' . . 17024 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17024 3 'structure solution' 17024 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 17024 _Software.ID 4 _Software.Name HADDOCK _Software.Version 2.0 _Software.Details 'High Ambiguity Driven biomolecular DOCKing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cyril Dominguez, Rolf Boelens and Alexandre M.J.J. Bonvin' ; Alexandre Bonvin, Utrecht University Bijvoet Center for Biomolecular Research Padualaan 8, 3584 CH Utrecht, the Netherlands ; http://www.nmr.chem.uu.nl/haddock/ 17024 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17024 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17024 _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 17024 _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' . . 17024 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 17024 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_2a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 7 $sample_2a isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 6 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 7 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 8 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 5 $sample_5 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 9 '15N, 13C Half filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 1 10 '15N, 13C Half filtered NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17024 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 17024 _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 . . . . . . . . . 17024 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17024 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17024 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 17024 _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 'Chemical Shifts for the ZNF216 A20 domain in complex with ubiquitin' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17024 1 4 '3D 1H-15N NOESY' . . . 17024 1 5 '3D CBCA(CO)NH' . . . 17024 1 6 '3D HNCO' . . . 17024 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 . . 17024 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 2 2 SER C C 13 174.606 0.150 . 1 . . . . 2 SER C . 17024 1 2 . 1 1 2 2 SER CA C 13 58.381 0.150 . 1 . . . . 2 SER CA . 17024 1 3 . 1 1 2 2 SER CB C 13 64.148 0.150 . 1 . . . . 2 SER CB . 17024 1 4 . 1 1 3 3 MET H H 1 8.571 0.002 . 1 . . . . 3 MET H . 17024 1 5 . 1 1 3 3 MET C C 13 176.070 0.150 . 1 . . . . 3 MET C . 17024 1 6 . 1 1 3 3 MET CA C 13 55.960 0.150 . 1 . . . . 3 MET CA . 17024 1 7 . 1 1 3 3 MET CB C 13 32.680 0.150 . 1 . . . . 3 MET CB . 17024 1 8 . 1 1 3 3 MET N N 15 122.387 0.081 . 1 . . . . 3 MET N . 17024 1 9 . 1 1 4 4 ALA H H 1 8.357 0.006 . 1 . . . . 4 ALA H . 17024 1 10 . 1 1 4 4 ALA C C 13 177.616 0.150 . 1 . . . . 4 ALA C . 17024 1 11 . 1 1 4 4 ALA CA C 13 52.778 0.150 . 1 . . . . 4 ALA CA . 17024 1 12 . 1 1 4 4 ALA CB C 13 18.914 0.150 . 1 . . . . 4 ALA CB . 17024 1 13 . 1 1 4 4 ALA N N 15 125.339 0.031 . 1 . . . . 4 ALA N . 17024 1 14 . 1 1 5 5 GLN H H 1 8.326 0.007 . 1 . . . . 5 GLN H . 17024 1 15 . 1 1 5 5 GLN HE21 H 1 6.863 0.001 . 1 . . . . 5 GLN HE21 . 17024 1 16 . 1 1 5 5 GLN HE22 H 1 7.545 0.001 . 1 . . . . 5 GLN HE22 . 17024 1 17 . 1 1 5 5 GLN C C 13 176.073 0.150 . 1 . . . . 5 GLN C . 17024 1 18 . 1 1 5 5 GLN CA C 13 56.297 0.150 . 1 . . . . 5 GLN CA . 17024 1 19 . 1 1 5 5 GLN CB C 13 29.518 0.150 . 1 . . . . 5 GLN CB . 17024 1 20 . 1 1 5 5 GLN CD C 13 180.561 0.005 . 1 . . . . 5 GLN CD . 17024 1 21 . 1 1 5 5 GLN N N 15 119.416 0.018 . 1 . . . . 5 GLN N . 17024 1 22 . 1 1 5 5 GLN NE2 N 15 112.177 0.228 . 1 . . . . 5 GLN NE2 . 17024 1 23 . 1 1 6 6 GLU H H 1 8.486 0.005 . 1 . . . . 6 GLU H . 17024 1 24 . 1 1 6 6 GLU C C 13 176.743 0.150 . 1 . . . . 6 GLU C . 17024 1 25 . 1 1 6 6 GLU CA C 13 56.813 0.150 . 1 . . . . 6 GLU CA . 17024 1 26 . 1 1 6 6 GLU CB C 13 30.076 0.150 . 1 . . . . 6 GLU CB . 17024 1 27 . 1 1 6 6 GLU N N 15 122.289 0.028 . 1 . . . . 6 GLU N . 17024 1 28 . 1 1 7 7 THR H H 1 8.222 0.007 . 1 . . . . 7 THR H . 17024 1 29 . 1 1 7 7 THR C C 13 174.282 0.150 . 1 . . . . 7 THR C . 17024 1 30 . 1 1 7 7 THR CA C 13 62.070 0.150 . 1 . . . . 7 THR CA . 17024 1 31 . 1 1 7 7 THR CB C 13 69.975 0.150 . 1 . . . . 7 THR CB . 17024 1 32 . 1 1 7 7 THR N N 15 114.823 0.026 . 1 . . . . 7 THR N . 17024 1 33 . 1 1 8 8 ASN H H 1 8.489 0.006 . 1 . . . . 8 ASN H . 17024 1 34 . 1 1 8 8 ASN HD21 H 1 6.948 0.001 . 1 . . . . 8 ASN HD21 . 17024 1 35 . 1 1 8 8 ASN HD22 H 1 7.619 0.150 . 1 . . . . 8 ASN HD22 . 17024 1 36 . 1 1 8 8 ASN C C 13 175.019 0.150 . 1 . . . . 8 ASN C . 17024 1 37 . 1 1 8 8 ASN CA C 13 53.729 0.150 . 1 . . . . 8 ASN CA . 17024 1 38 . 1 1 8 8 ASN CB C 13 38.893 0.150 . 1 . . . . 8 ASN CB . 17024 1 39 . 1 1 8 8 ASN CG C 13 177.015 0.024 . 1 . . . . 8 ASN CG . 17024 1 40 . 1 1 8 8 ASN N N 15 121.001 0.012 . 1 . . . . 8 ASN N . 17024 1 41 . 1 1 8 8 ASN ND2 N 15 112.532 0.242 . 1 . . . . 8 ASN ND2 . 17024 1 42 . 1 1 9 9 GLN H H 1 8.374 0.007 . 1 . . . . 9 GLN H . 17024 1 43 . 1 1 9 9 GLN HA H 1 4.165 0.020 . 1 . . . . 9 GLN HA . 17024 1 44 . 1 1 9 9 GLN HE21 H 1 6.849 0.001 . 1 . . . . 9 GLN HE21 . 17024 1 45 . 1 1 9 9 GLN HE22 H 1 7.523 0.001 . 1 . . . . 9 GLN HE22 . 17024 1 46 . 1 1 9 9 GLN C C 13 175.901 0.150 . 1 . . . . 9 GLN C . 17024 1 47 . 1 1 9 9 GLN CA C 13 56.485 0.150 . 1 . . . . 9 GLN CA . 17024 1 48 . 1 1 9 9 GLN CB C 13 29.796 0.150 . 1 . . . . 9 GLN CB . 17024 1 49 . 1 1 9 9 GLN CD C 13 180.526 0.150 . 1 . . . . 9 GLN CD . 17024 1 50 . 1 1 9 9 GLN N N 15 120.750 0.005 . 1 . . . . 9 GLN N . 17024 1 51 . 1 1 9 9 GLN NE2 N 15 112.364 0.159 . 1 . . . . 9 GLN NE2 . 17024 1 52 . 1 1 10 10 THR H H 1 8.303 0.006 . 1 . . . . 10 THR H . 17024 1 53 . 1 1 10 10 THR HA H 1 4.385 0.150 . 1 . . . . 10 THR HA . 17024 1 54 . 1 1 10 10 THR N N 15 118.259 0.030 . 1 . . . . 10 THR N . 17024 1 55 . 1 1 11 11 PRO C C 13 177.090 0.150 . 1 . . . . 11 PRO C . 17024 1 56 . 1 1 11 11 PRO CA C 13 63.586 0.150 . 1 . . . . 11 PRO CA . 17024 1 57 . 1 1 11 11 PRO CB C 13 31.968 0.150 . 1 . . . . 11 PRO CB . 17024 1 58 . 1 1 12 12 GLY H H 1 8.250 0.006 . 1 . . . . 12 GLY H . 17024 1 59 . 1 1 12 12 GLY N N 15 109.445 0.006 . 1 . . . . 12 GLY N . 17024 1 60 . 1 1 13 13 PRO HA H 1 4.460 0.150 . 1 . . . . 13 PRO HA . 17024 1 61 . 1 1 13 13 PRO C C 13 176.366 0.150 . 1 . . . . 13 PRO C . 17024 1 62 . 1 1 13 13 PRO CA C 13 63.134 0.150 . 1 . . . . 13 PRO CA . 17024 1 63 . 1 1 13 13 PRO CB C 13 32.018 0.150 . 1 . . . . 13 PRO CB . 17024 1 64 . 1 1 14 14 MET H H 1 8.719 0.003 . 1 . . . . 14 MET H . 17024 1 65 . 1 1 14 14 MET HA H 1 4.652 0.010 . 1 . . . . 14 MET HA . 17024 1 66 . 1 1 14 14 MET HB2 H 1 1.976 0.004 . 2 . . . . 14 MET HB2 . 17024 1 67 . 1 1 14 14 MET HB3 H 1 2.038 0.004 . 2 . . . . 14 MET HB3 . 17024 1 68 . 1 1 14 14 MET HG2 H 1 2.530 0.002 . 1 . . . . 14 MET HG2 . 17024 1 69 . 1 1 14 14 MET C C 13 175.802 0.150 . 1 . . . . 14 MET C . 17024 1 70 . 1 1 14 14 MET CA C 13 54.541 0.145 . 1 . . . . 14 MET CA . 17024 1 71 . 1 1 14 14 MET CB C 13 34.819 0.150 . 1 . . . . 14 MET CB . 17024 1 72 . 1 1 14 14 MET N N 15 120.541 0.020 . 1 . . . . 14 MET N . 17024 1 73 . 1 1 15 15 LEU H H 1 8.506 0.004 . 1 . . . . 15 LEU H . 17024 1 74 . 1 1 15 15 LEU HA H 1 4.116 0.005 . 1 . . . . 15 LEU HA . 17024 1 75 . 1 1 15 15 LEU HB2 H 1 1.472 0.011 . 2 . . . . 15 LEU HB2 . 17024 1 76 . 1 1 15 15 LEU HB3 H 1 1.552 0.012 . 2 . . . . 15 LEU HB3 . 17024 1 77 . 1 1 15 15 LEU HD11 H 1 0.082 0.008 . 2 . . . . 15 LEU HD11 . 17024 1 78 . 1 1 15 15 LEU HD12 H 1 0.082 0.008 . 2 . . . . 15 LEU HD12 . 17024 1 79 . 1 1 15 15 LEU HD13 H 1 0.082 0.008 . 2 . . . . 15 LEU HD13 . 17024 1 80 . 1 1 15 15 LEU HD21 H 1 0.719 0.006 . 2 . . . . 15 LEU HD21 . 17024 1 81 . 1 1 15 15 LEU HD22 H 1 0.719 0.006 . 2 . . . . 15 LEU HD22 . 17024 1 82 . 1 1 15 15 LEU HD23 H 1 0.719 0.006 . 2 . . . . 15 LEU HD23 . 17024 1 83 . 1 1 15 15 LEU C C 13 176.454 0.150 . 1 . . . . 15 LEU C . 17024 1 84 . 1 1 15 15 LEU CA C 13 55.028 0.006 . 1 . . . . 15 LEU CA . 17024 1 85 . 1 1 15 15 LEU CB C 13 41.467 0.049 . 1 . . . . 15 LEU CB . 17024 1 86 . 1 1 15 15 LEU CD1 C 13 21.723 0.150 . 2 . . . . 15 LEU CD1 . 17024 1 87 . 1 1 15 15 LEU CD2 C 13 25.234 0.150 . 2 . . . . 15 LEU CD2 . 17024 1 88 . 1 1 15 15 LEU N N 15 124.220 0.025 . 1 . . . . 15 LEU N . 17024 1 89 . 1 1 16 16 CYS H H 1 9.242 0.004 . 1 . . . . 16 CYS H . 17024 1 90 . 1 1 16 16 CYS HA H 1 4.426 0.009 . 1 . . . . 16 CYS HA . 17024 1 91 . 1 1 16 16 CYS HB2 H 1 2.466 0.023 . 2 . . . . 16 CYS HB2 . 17024 1 92 . 1 1 16 16 CYS HB3 H 1 3.349 0.020 . 2 . . . . 16 CYS HB3 . 17024 1 93 . 1 1 16 16 CYS C C 13 178.717 0.150 . 1 . . . . 16 CYS C . 17024 1 94 . 1 1 16 16 CYS CA C 13 61.789 0.013 . 1 . . . . 16 CYS CA . 17024 1 95 . 1 1 16 16 CYS CB C 13 30.268 0.018 . 1 . . . . 16 CYS CB . 17024 1 96 . 1 1 16 16 CYS N N 15 124.652 0.036 . 1 . . . . 16 CYS N . 17024 1 97 . 1 1 17 17 SER H H 1 8.109 0.005 . 1 . . . . 17 SER H . 17024 1 98 . 1 1 17 17 SER HA H 1 4.224 0.002 . 1 . . . . 17 SER HA . 17024 1 99 . 1 1 17 17 SER HB2 H 1 3.900 0.035 . 2 . . . . 17 SER HB2 . 17024 1 100 . 1 1 17 17 SER HB3 H 1 4.124 0.002 . 2 . . . . 17 SER HB3 . 17024 1 101 . 1 1 17 17 SER C C 13 175.634 0.150 . 1 . . . . 17 SER C . 17024 1 102 . 1 1 17 17 SER CA C 13 60.733 0.014 . 1 . . . . 17 SER CA . 17024 1 103 . 1 1 17 17 SER CB C 13 63.386 0.011 . 1 . . . . 17 SER CB . 17024 1 104 . 1 1 17 17 SER N N 15 126.564 0.093 . 1 . . . . 17 SER N . 17024 1 105 . 1 1 18 18 THR H H 1 8.651 0.004 . 1 . . . . 18 THR H . 17024 1 106 . 1 1 18 18 THR HA H 1 4.435 0.009 . 1 . . . . 18 THR HA . 17024 1 107 . 1 1 18 18 THR HB H 1 4.599 0.003 . 1 . . . . 18 THR HB . 17024 1 108 . 1 1 18 18 THR HG21 H 1 1.452 0.010 . 1 . . . . 18 THR HG21 . 17024 1 109 . 1 1 18 18 THR HG22 H 1 1.452 0.010 . 1 . . . . 18 THR HG22 . 17024 1 110 . 1 1 18 18 THR HG23 H 1 1.452 0.010 . 1 . . . . 18 THR HG23 . 17024 1 111 . 1 1 18 18 THR C C 13 176.764 0.150 . 1 . . . . 18 THR C . 17024 1 112 . 1 1 18 18 THR CA C 13 63.254 0.150 . 1 . . . . 18 THR CA . 17024 1 113 . 1 1 18 18 THR CB C 13 69.428 0.150 . 1 . . . . 18 THR CB . 17024 1 114 . 1 1 18 18 THR CG2 C 13 22.156 0.150 . 1 . . . . 18 THR CG2 . 17024 1 115 . 1 1 18 18 THR N N 15 115.452 0.041 . 1 . . . . 18 THR N . 17024 1 116 . 1 1 19 19 GLY H H 1 8.000 0.005 . 1 . . . . 19 GLY H . 17024 1 117 . 1 1 19 19 GLY HA2 H 1 3.864 0.038 . 2 . . . . 19 GLY HA2 . 17024 1 118 . 1 1 19 19 GLY HA3 H 1 4.241 0.002 . 2 . . . . 19 GLY HA3 . 17024 1 119 . 1 1 19 19 GLY C C 13 175.619 0.150 . 1 . . . . 19 GLY C . 17024 1 120 . 1 1 19 19 GLY CA C 13 45.855 0.150 . 1 . . . . 19 GLY CA . 17024 1 121 . 1 1 19 19 GLY N N 15 107.412 0.043 . 1 . . . . 19 GLY N . 17024 1 122 . 1 1 20 20 CYS H H 1 7.296 0.002 . 1 . . . . 20 CYS H . 17024 1 123 . 1 1 20 20 CYS HA H 1 4.345 0.004 . 1 . . . . 20 CYS HA . 17024 1 124 . 1 1 20 20 CYS HB2 H 1 2.718 0.003 . 2 . . . . 20 CYS HB2 . 17024 1 125 . 1 1 20 20 CYS HB3 H 1 3.307 0.003 . 2 . . . . 20 CYS HB3 . 17024 1 126 . 1 1 20 20 CYS C C 13 176.110 0.150 . 1 . . . . 20 CYS C . 17024 1 127 . 1 1 20 20 CYS CA C 13 60.045 0.077 . 1 . . . . 20 CYS CA . 17024 1 128 . 1 1 20 20 CYS CB C 13 30.065 0.150 . 1 . . . . 20 CYS CB . 17024 1 129 . 1 1 20 20 CYS N N 15 119.274 0.060 . 1 . . . . 20 CYS N . 17024 1 130 . 1 1 21 21 GLY H H 1 8.945 0.004 . 1 . . . . 21 GLY H . 17024 1 131 . 1 1 21 21 GLY HA2 H 1 3.388 0.005 . 2 . . . . 21 GLY HA2 . 17024 1 132 . 1 1 21 21 GLY HA3 H 1 4.223 0.002 . 2 . . . . 21 GLY HA3 . 17024 1 133 . 1 1 21 21 GLY C C 13 174.121 0.150 . 1 . . . . 21 GLY C . 17024 1 134 . 1 1 21 21 GLY CA C 13 45.357 0.150 . 1 . . . . 21 GLY CA . 17024 1 135 . 1 1 21 21 GLY N N 15 111.795 0.023 . 1 . . . . 21 GLY N . 17024 1 136 . 1 1 22 22 PHE H H 1 8.819 0.004 . 1 . . . . 22 PHE H . 17024 1 137 . 1 1 22 22 PHE HA H 1 4.457 0.001 . 1 . . . . 22 PHE HA . 17024 1 138 . 1 1 22 22 PHE HB2 H 1 3.098 0.009 . 2 . . . . 22 PHE HB2 . 17024 1 139 . 1 1 22 22 PHE HB3 H 1 3.278 0.008 . 2 . . . . 22 PHE HB3 . 17024 1 140 . 1 1 22 22 PHE HD1 H 1 7.290 0.006 . 3 . . . . 22 PHE HD1 . 17024 1 141 . 1 1 22 22 PHE HD2 H 1 7.290 0.006 . 3 . . . . 22 PHE HD2 . 17024 1 142 . 1 1 22 22 PHE C C 13 174.263 0.150 . 1 . . . . 22 PHE C . 17024 1 143 . 1 1 22 22 PHE CA C 13 58.535 0.150 . 1 . . . . 22 PHE CA . 17024 1 144 . 1 1 22 22 PHE CB C 13 38.458 0.150 . 1 . . . . 22 PHE CB . 17024 1 145 . 1 1 22 22 PHE N N 15 122.190 0.041 . 1 . . . . 22 PHE N . 17024 1 146 . 1 1 23 23 TYR H H 1 8.855 0.004 . 1 . . . . 23 TYR H . 17024 1 147 . 1 1 23 23 TYR HA H 1 4.409 0.004 . 1 . . . . 23 TYR HA . 17024 1 148 . 1 1 23 23 TYR HB2 H 1 3.036 0.002 . 2 . . . . 23 TYR HB2 . 17024 1 149 . 1 1 23 23 TYR HB3 H 1 3.174 0.005 . 2 . . . . 23 TYR HB3 . 17024 1 150 . 1 1 23 23 TYR HD1 H 1 7.090 0.003 . 3 . . . . 23 TYR HD1 . 17024 1 151 . 1 1 23 23 TYR HD2 H 1 7.090 0.003 . 3 . . . . 23 TYR HD2 . 17024 1 152 . 1 1 23 23 TYR HE1 H 1 6.781 0.020 . 3 . . . . 23 TYR HE1 . 17024 1 153 . 1 1 23 23 TYR HE2 H 1 6.781 0.020 . 3 . . . . 23 TYR HE2 . 17024 1 154 . 1 1 23 23 TYR C C 13 176.659 0.150 . 1 . . . . 23 TYR C . 17024 1 155 . 1 1 23 23 TYR CA C 13 60.887 0.037 . 1 . . . . 23 TYR CA . 17024 1 156 . 1 1 23 23 TYR CB C 13 38.261 0.150 . 1 . . . . 23 TYR CB . 17024 1 157 . 1 1 23 23 TYR N N 15 118.344 0.070 . 1 . . . . 23 TYR N . 17024 1 158 . 1 1 24 24 GLY H H 1 8.751 0.005 . 1 . . . . 24 GLY H . 17024 1 159 . 1 1 24 24 GLY HA2 H 1 2.964 0.004 . 2 . . . . 24 GLY HA2 . 17024 1 160 . 1 1 24 24 GLY HA3 H 1 3.838 0.016 . 2 . . . . 24 GLY HA3 . 17024 1 161 . 1 1 24 24 GLY C C 13 171.553 0.150 . 1 . . . . 24 GLY C . 17024 1 162 . 1 1 24 24 GLY CA C 13 43.111 0.022 . 1 . . . . 24 GLY CA . 17024 1 163 . 1 1 24 24 GLY N N 15 107.548 0.078 . 1 . . . . 24 GLY N . 17024 1 164 . 1 1 25 25 ASN H H 1 6.624 0.005 . 1 . . . . 25 ASN H . 17024 1 165 . 1 1 25 25 ASN HA H 1 5.125 0.006 . 1 . . . . 25 ASN HA . 17024 1 166 . 1 1 25 25 ASN HB2 H 1 2.474 0.005 . 2 . . . . 25 ASN HB2 . 17024 1 167 . 1 1 25 25 ASN HB3 H 1 3.286 0.012 . 2 . . . . 25 ASN HB3 . 17024 1 168 . 1 1 25 25 ASN HD21 H 1 6.995 0.004 . 1 . . . . 25 ASN HD21 . 17024 1 169 . 1 1 25 25 ASN HD22 H 1 7.559 0.002 . 1 . . . . 25 ASN HD22 . 17024 1 170 . 1 1 25 25 ASN CA C 13 50.284 0.150 . 1 . . . . 25 ASN CA . 17024 1 171 . 1 1 25 25 ASN CG C 13 177.137 0.008 . 1 . . . . 25 ASN CG . 17024 1 172 . 1 1 25 25 ASN N N 15 116.203 0.045 . 1 . . . . 25 ASN N . 17024 1 173 . 1 1 25 25 ASN ND2 N 15 113.094 0.144 . 1 . . . . 25 ASN ND2 . 17024 1 174 . 1 1 26 26 PRO HA H 1 4.270 0.005 . 1 . . . . 26 PRO HA . 17024 1 175 . 1 1 26 26 PRO HB2 H 1 2.011 0.150 . 1 . . . . 26 PRO HB2 . 17024 1 176 . 1 1 26 26 PRO HG2 H 1 2.019 0.150 . 1 . . . . 26 PRO HG2 . 17024 1 177 . 1 1 26 26 PRO C C 13 178.105 0.150 . 1 . . . . 26 PRO C . 17024 1 178 . 1 1 26 26 PRO CA C 13 65.245 0.150 . 1 . . . . 26 PRO CA . 17024 1 179 . 1 1 26 26 PRO CB C 13 31.938 0.150 . 1 . . . . 26 PRO CB . 17024 1 180 . 1 1 27 27 ARG H H 1 8.654 0.003 . 1 . . . . 27 ARG H . 17024 1 181 . 1 1 27 27 ARG HA H 1 4.254 0.013 . 1 . . . . 27 ARG HA . 17024 1 182 . 1 1 27 27 ARG HB2 H 1 1.685 0.003 . 2 . . . . 27 ARG HB2 . 17024 1 183 . 1 1 27 27 ARG HB3 H 1 1.871 0.001 . 2 . . . . 27 ARG HB3 . 17024 1 184 . 1 1 27 27 ARG C C 13 177.057 0.150 . 1 . . . . 27 ARG C . 17024 1 185 . 1 1 27 27 ARG CA C 13 57.631 0.150 . 1 . . . . 27 ARG CA . 17024 1 186 . 1 1 27 27 ARG CB C 13 30.057 0.150 . 1 . . . . 27 ARG CB . 17024 1 187 . 1 1 27 27 ARG N N 15 115.589 0.059 . 1 . . . . 27 ARG N . 17024 1 188 . 1 1 28 28 THR H H 1 7.548 0.005 . 1 . . . . 28 THR H . 17024 1 189 . 1 1 28 28 THR HA H 1 3.508 0.002 . 1 . . . . 28 THR HA . 17024 1 190 . 1 1 28 28 THR HB H 1 3.304 0.150 . 1 . . . . 28 THR HB . 17024 1 191 . 1 1 28 28 THR HG21 H 1 0.451 0.013 . 1 . . . . 28 THR HG21 . 17024 1 192 . 1 1 28 28 THR HG22 H 1 0.451 0.013 . 1 . . . . 28 THR HG22 . 17024 1 193 . 1 1 28 28 THR HG23 H 1 0.451 0.013 . 1 . . . . 28 THR HG23 . 17024 1 194 . 1 1 28 28 THR C C 13 175.186 0.150 . 1 . . . . 28 THR C . 17024 1 195 . 1 1 28 28 THR CA C 13 58.324 0.017 . 1 . . . . 28 THR CA . 17024 1 196 . 1 1 28 28 THR CB C 13 66.361 0.100 . 1 . . . . 28 THR CB . 17024 1 197 . 1 1 28 28 THR CG2 C 13 19.964 0.150 . 1 . . . . 28 THR CG2 . 17024 1 198 . 1 1 28 28 THR N N 15 110.786 0.044 . 1 . . . . 28 THR N . 17024 1 199 . 1 1 29 29 ASN H H 1 8.042 0.005 . 1 . . . . 29 ASN H . 17024 1 200 . 1 1 29 29 ASN HA H 1 4.411 0.004 . 1 . . . . 29 ASN HA . 17024 1 201 . 1 1 29 29 ASN HB2 H 1 2.562 0.002 . 2 . . . . 29 ASN HB2 . 17024 1 202 . 1 1 29 29 ASN HB3 H 1 3.201 0.001 . 2 . . . . 29 ASN HB3 . 17024 1 203 . 1 1 29 29 ASN HD21 H 1 6.641 0.006 . 1 . . . . 29 ASN HD21 . 17024 1 204 . 1 1 29 29 ASN HD22 H 1 6.969 0.001 . 1 . . . . 29 ASN HD22 . 17024 1 205 . 1 1 29 29 ASN C C 13 174.495 0.150 . 1 . . . . 29 ASN C . 17024 1 206 . 1 1 29 29 ASN CA C 13 54.383 0.150 . 1 . . . . 29 ASN CA . 17024 1 207 . 1 1 29 29 ASN CB C 13 38.060 0.150 . 1 . . . . 29 ASN CB . 17024 1 208 . 1 1 29 29 ASN CG C 13 177.776 0.015 . 1 . . . . 29 ASN CG . 17024 1 209 . 1 1 29 29 ASN N N 15 117.190 0.045 . 1 . . . . 29 ASN N . 17024 1 210 . 1 1 29 29 ASN ND2 N 15 109.460 0.166 . 1 . . . . 29 ASN ND2 . 17024 1 211 . 1 1 30 30 GLY H H 1 7.959 0.006 . 1 . . . . 30 GLY H . 17024 1 212 . 1 1 30 30 GLY HA2 H 1 3.411 0.010 . 2 . . . . 30 GLY HA2 . 17024 1 213 . 1 1 30 30 GLY HA3 H 1 4.042 0.013 . 2 . . . . 30 GLY HA3 . 17024 1 214 . 1 1 30 30 GLY C C 13 173.868 0.150 . 1 . . . . 30 GLY C . 17024 1 215 . 1 1 30 30 GLY CA C 13 45.827 0.132 . 1 . . . . 30 GLY CA . 17024 1 216 . 1 1 30 30 GLY N N 15 104.551 0.014 . 1 . . . . 30 GLY N . 17024 1 217 . 1 1 31 31 MET H H 1 7.892 0.004 . 1 . . . . 31 MET H . 17024 1 218 . 1 1 31 31 MET HA H 1 5.826 0.003 . 1 . . . . 31 MET HA . 17024 1 219 . 1 1 31 31 MET HB2 H 1 2.263 0.013 . 2 . . . . 31 MET HB2 . 17024 1 220 . 1 1 31 31 MET HB3 H 1 2.372 0.010 . 2 . . . . 31 MET HB3 . 17024 1 221 . 1 1 31 31 MET HE1 H 1 1.800 0.011 . 1 . . . . 31 MET HE1 . 17024 1 222 . 1 1 31 31 MET HE2 H 1 1.800 0.011 . 1 . . . . 31 MET HE2 . 17024 1 223 . 1 1 31 31 MET HE3 H 1 1.800 0.011 . 1 . . . . 31 MET HE3 . 17024 1 224 . 1 1 31 31 MET HG2 H 1 2.570 0.005 . 1 . . . . 31 MET HG2 . 17024 1 225 . 1 1 31 31 MET C C 13 177.089 0.150 . 1 . . . . 31 MET C . 17024 1 226 . 1 1 31 31 MET CA C 13 54.371 0.129 . 1 . . . . 31 MET CA . 17024 1 227 . 1 1 31 31 MET CB C 13 36.700 0.150 . 1 . . . . 31 MET CB . 17024 1 228 . 1 1 31 31 MET N N 15 119.496 0.074 . 1 . . . . 31 MET N . 17024 1 229 . 1 1 32 32 CYS H H 1 10.052 0.007 . 1 . . . . 32 CYS H . 17024 1 230 . 1 1 32 32 CYS HA H 1 5.021 0.005 . 1 . . . . 32 CYS HA . 17024 1 231 . 1 1 32 32 CYS HB2 H 1 2.567 0.007 . 2 . . . . 32 CYS HB2 . 17024 1 232 . 1 1 32 32 CYS HB3 H 1 3.181 0.006 . 2 . . . . 32 CYS HB3 . 17024 1 233 . 1 1 32 32 CYS C C 13 175.667 0.150 . 1 . . . . 32 CYS C . 17024 1 234 . 1 1 32 32 CYS CA C 13 58.341 0.041 . 1 . . . . 32 CYS CA . 17024 1 235 . 1 1 32 32 CYS CB C 13 30.571 0.184 . 1 . . . . 32 CYS CB . 17024 1 236 . 1 1 32 32 CYS N N 15 123.391 0.052 . 1 . . . . 32 CYS N . 17024 1 237 . 1 1 33 33 SER H H 1 10.180 0.004 . 1 . . . . 33 SER H . 17024 1 238 . 1 1 33 33 SER HA H 1 4.001 0.002 . 1 . . . . 33 SER HA . 17024 1 239 . 1 1 33 33 SER HB2 H 1 3.811 0.011 . 1 . . . . 33 SER HB2 . 17024 1 240 . 1 1 33 33 SER C C 13 177.157 0.150 . 1 . . . . 33 SER C . 17024 1 241 . 1 1 33 33 SER CA C 13 61.992 0.150 . 1 . . . . 33 SER CA . 17024 1 242 . 1 1 33 33 SER CB C 13 62.346 0.150 . 1 . . . . 33 SER CB . 17024 1 243 . 1 1 33 33 SER N N 15 116.920 0.124 . 1 . . . . 33 SER N . 17024 1 244 . 1 1 34 34 VAL H H 1 7.314 0.003 . 1 . . . . 34 VAL H . 17024 1 245 . 1 1 34 34 VAL HA H 1 3.809 0.002 . 1 . . . . 34 VAL HA . 17024 1 246 . 1 1 34 34 VAL HB H 1 1.957 0.002 . 1 . . . . 34 VAL HB . 17024 1 247 . 1 1 34 34 VAL HG11 H 1 0.893 0.005 . 2 . . . . 34 VAL HG11 . 17024 1 248 . 1 1 34 34 VAL HG12 H 1 0.893 0.005 . 2 . . . . 34 VAL HG12 . 17024 1 249 . 1 1 34 34 VAL HG13 H 1 0.893 0.005 . 2 . . . . 34 VAL HG13 . 17024 1 250 . 1 1 34 34 VAL HG21 H 1 0.945 0.026 . 2 . . . . 34 VAL HG21 . 17024 1 251 . 1 1 34 34 VAL HG22 H 1 0.945 0.026 . 2 . . . . 34 VAL HG22 . 17024 1 252 . 1 1 34 34 VAL HG23 H 1 0.945 0.026 . 2 . . . . 34 VAL HG23 . 17024 1 253 . 1 1 34 34 VAL C C 13 178.571 0.150 . 1 . . . . 34 VAL C . 17024 1 254 . 1 1 34 34 VAL CA C 13 66.167 0.150 . 1 . . . . 34 VAL CA . 17024 1 255 . 1 1 34 34 VAL CB C 13 33.248 0.150 . 1 . . . . 34 VAL CB . 17024 1 256 . 1 1 34 34 VAL CG1 C 13 20.919 0.150 . 2 . . . . 34 VAL CG1 . 17024 1 257 . 1 1 34 34 VAL CG2 C 13 22.954 0.150 . 2 . . . . 34 VAL CG2 . 17024 1 258 . 1 1 34 34 VAL N N 15 126.920 0.040 . 1 . . . . 34 VAL N . 17024 1 259 . 1 1 35 35 CYS H H 1 8.859 0.006 . 1 . . . . 35 CYS H . 17024 1 260 . 1 1 35 35 CYS HA H 1 4.027 0.001 . 1 . . . . 35 CYS HA . 17024 1 261 . 1 1 35 35 CYS HB2 H 1 2.991 0.039 . 2 . . . . 35 CYS HB2 . 17024 1 262 . 1 1 35 35 CYS HB3 H 1 3.036 0.009 . 2 . . . . 35 CYS HB3 . 17024 1 263 . 1 1 35 35 CYS C C 13 178.868 0.150 . 1 . . . . 35 CYS C . 17024 1 264 . 1 1 35 35 CYS CA C 13 64.716 0.150 . 1 . . . . 35 CYS CA . 17024 1 265 . 1 1 35 35 CYS CB C 13 28.994 0.150 . 1 . . . . 35 CYS CB . 17024 1 266 . 1 1 35 35 CYS N N 15 125.297 0.053 . 1 . . . . 35 CYS N . 17024 1 267 . 1 1 36 36 TYR H H 1 9.048 0.005 . 1 . . . . 36 TYR H . 17024 1 268 . 1 1 36 36 TYR HA H 1 4.571 0.008 . 1 . . . . 36 TYR HA . 17024 1 269 . 1 1 36 36 TYR HB2 H 1 2.977 0.009 . 2 . . . . 36 TYR HB2 . 17024 1 270 . 1 1 36 36 TYR HB3 H 1 3.300 0.003 . 2 . . . . 36 TYR HB3 . 17024 1 271 . 1 1 36 36 TYR HD1 H 1 7.104 0.010 . 3 . . . . 36 TYR HD1 . 17024 1 272 . 1 1 36 36 TYR HD2 H 1 7.104 0.010 . 3 . . . . 36 TYR HD2 . 17024 1 273 . 1 1 36 36 TYR HE1 H 1 6.785 0.020 . 3 . . . . 36 TYR HE1 . 17024 1 274 . 1 1 36 36 TYR HE2 H 1 6.785 0.020 . 3 . . . . 36 TYR HE2 . 17024 1 275 . 1 1 36 36 TYR C C 13 176.818 0.150 . 1 . . . . 36 TYR C . 17024 1 276 . 1 1 36 36 TYR CA C 13 61.550 0.150 . 1 . . . . 36 TYR CA . 17024 1 277 . 1 1 36 36 TYR CB C 13 38.422 0.150 . 1 . . . . 36 TYR CB . 17024 1 278 . 1 1 36 36 TYR N N 15 120.613 0.092 . 1 . . . . 36 TYR N . 17024 1 279 . 1 1 37 37 LYS H H 1 7.502 0.003 . 1 . . . . 37 LYS H . 17024 1 280 . 1 1 37 37 LYS HA H 1 3.792 0.008 . 1 . . . . 37 LYS HA . 17024 1 281 . 1 1 37 37 LYS HB2 H 1 2.034 0.010 . 1 . . . . 37 LYS HB2 . 17024 1 282 . 1 1 37 37 LYS HD2 H 1 1.753 0.002 . 1 . . . . 37 LYS HD2 . 17024 1 283 . 1 1 37 37 LYS HG2 H 1 1.473 0.007 . 1 . . . . 37 LYS HG2 . 17024 1 284 . 1 1 37 37 LYS C C 13 179.499 0.150 . 1 . . . . 37 LYS C . 17024 1 285 . 1 1 37 37 LYS CA C 13 60.218 0.150 . 1 . . . . 37 LYS CA . 17024 1 286 . 1 1 37 37 LYS CB C 13 31.924 0.150 . 1 . . . . 37 LYS CB . 17024 1 287 . 1 1 37 37 LYS N N 15 118.649 0.015 . 1 . . . . 37 LYS N . 17024 1 288 . 1 1 38 38 GLU H H 1 7.894 0.004 . 1 . . . . 38 GLU H . 17024 1 289 . 1 1 38 38 GLU HA H 1 4.029 0.001 . 1 . . . . 38 GLU HA . 17024 1 290 . 1 1 38 38 GLU HB2 H 1 2.117 0.008 . 2 . . . . 38 GLU HB2 . 17024 1 291 . 1 1 38 38 GLU HB3 H 1 2.192 0.020 . 2 . . . . 38 GLU HB3 . 17024 1 292 . 1 1 38 38 GLU HG2 H 1 2.446 0.011 . 1 . . . . 38 GLU HG2 . 17024 1 293 . 1 1 38 38 GLU C C 13 178.613 0.150 . 1 . . . . 38 GLU C . 17024 1 294 . 1 1 38 38 GLU CA C 13 59.724 0.150 . 1 . . . . 38 GLU CA . 17024 1 295 . 1 1 38 38 GLU CB C 13 29.246 0.150 . 1 . . . . 38 GLU CB . 17024 1 296 . 1 1 38 38 GLU N N 15 119.218 0.113 . 1 . . . . 38 GLU N . 17024 1 297 . 1 1 39 39 HIS H H 1 8.303 0.006 . 1 . . . . 39 HIS H . 17024 1 298 . 1 1 39 39 HIS HA H 1 4.240 0.005 . 1 . . . . 39 HIS HA . 17024 1 299 . 1 1 39 39 HIS HB2 H 1 3.068 0.001 . 2 . . . . 39 HIS HB2 . 17024 1 300 . 1 1 39 39 HIS HB3 H 1 3.476 0.002 . 2 . . . . 39 HIS HB3 . 17024 1 301 . 1 1 39 39 HIS HD2 H 1 7.879 0.020 . 1 . . . . 39 HIS HD2 . 17024 1 302 . 1 1 39 39 HIS HE1 H 1 6.715 0.001 . 1 . . . . 39 HIS HE1 . 17024 1 303 . 1 1 39 39 HIS C C 13 177.788 0.150 . 1 . . . . 39 HIS C . 17024 1 304 . 1 1 39 39 HIS CA C 13 59.907 0.150 . 1 . . . . 39 HIS CA . 17024 1 305 . 1 1 39 39 HIS CB C 13 30.227 0.150 . 1 . . . . 39 HIS CB . 17024 1 306 . 1 1 39 39 HIS N N 15 121.382 0.078 . 1 . . . . 39 HIS N . 17024 1 307 . 1 1 40 40 LEU H H 1 8.224 0.004 . 1 . . . . 40 LEU H . 17024 1 308 . 1 1 40 40 LEU HA H 1 3.707 0.002 . 1 . . . . 40 LEU HA . 17024 1 309 . 1 1 40 40 LEU HB2 H 1 1.279 0.001 . 2 . . . . 40 LEU HB2 . 17024 1 310 . 1 1 40 40 LEU HB3 H 1 1.601 0.001 . 2 . . . . 40 LEU HB3 . 17024 1 311 . 1 1 40 40 LEU HD11 H 1 0.608 0.010 . 2 . . . . 40 LEU HD11 . 17024 1 312 . 1 1 40 40 LEU HD12 H 1 0.608 0.010 . 2 . . . . 40 LEU HD12 . 17024 1 313 . 1 1 40 40 LEU HD13 H 1 0.608 0.010 . 2 . . . . 40 LEU HD13 . 17024 1 314 . 1 1 40 40 LEU HD21 H 1 0.650 0.008 . 2 . . . . 40 LEU HD21 . 17024 1 315 . 1 1 40 40 LEU HD22 H 1 0.650 0.008 . 2 . . . . 40 LEU HD22 . 17024 1 316 . 1 1 40 40 LEU HD23 H 1 0.650 0.008 . 2 . . . . 40 LEU HD23 . 17024 1 317 . 1 1 40 40 LEU HG H 1 1.200 0.004 . 1 . . . . 40 LEU HG . 17024 1 318 . 1 1 40 40 LEU C C 13 180.070 0.150 . 1 . . . . 40 LEU C . 17024 1 319 . 1 1 40 40 LEU CA C 13 57.903 0.150 . 1 . . . . 40 LEU CA . 17024 1 320 . 1 1 40 40 LEU CB C 13 41.558 0.150 . 1 . . . . 40 LEU CB . 17024 1 321 . 1 1 40 40 LEU CD1 C 13 25.201 0.150 . 2 . . . . 40 LEU CD1 . 17024 1 322 . 1 1 40 40 LEU CD2 C 13 22.291 0.150 . 2 . . . . 40 LEU CD2 . 17024 1 323 . 1 1 40 40 LEU N N 15 119.312 0.013 . 1 . . . . 40 LEU N . 17024 1 324 . 1 1 41 41 GLN H H 1 7.786 0.004 . 1 . . . . 41 GLN H . 17024 1 325 . 1 1 41 41 GLN HA H 1 4.020 0.003 . 1 . . . . 41 GLN HA . 17024 1 326 . 1 1 41 41 GLN HB2 H 1 2.162 0.006 . 1 . . . . 41 GLN HB2 . 17024 1 327 . 1 1 41 41 GLN HE21 H 1 6.855 0.001 . 1 . . . . 41 GLN HE21 . 17024 1 328 . 1 1 41 41 GLN HE22 H 1 7.401 0.001 . 1 . . . . 41 GLN HE22 . 17024 1 329 . 1 1 41 41 GLN HG2 H 1 2.389 0.150 . 2 . . . . 41 GLN HG2 . 17024 1 330 . 1 1 41 41 GLN HG3 H 1 2.477 0.150 . 2 . . . . 41 GLN HG3 . 17024 1 331 . 1 1 41 41 GLN C C 13 178.132 0.150 . 1 . . . . 41 GLN C . 17024 1 332 . 1 1 41 41 GLN CA C 13 58.437 0.150 . 1 . . . . 41 GLN CA . 17024 1 333 . 1 1 41 41 GLN CB C 13 28.287 0.150 . 1 . . . . 41 GLN CB . 17024 1 334 . 1 1 41 41 GLN CD C 13 180.273 0.004 . 1 . . . . 41 GLN CD . 17024 1 335 . 1 1 41 41 GLN N N 15 118.278 0.050 . 1 . . . . 41 GLN N . 17024 1 336 . 1 1 41 41 GLN NE2 N 15 111.537 0.211 . 1 . . . . 41 GLN NE2 . 17024 1 337 . 1 1 42 42 ARG H H 1 7.871 0.007 . 1 . . . . 42 ARG H . 17024 1 338 . 1 1 42 42 ARG HA H 1 4.113 0.017 . 1 . . . . 42 ARG HA . 17024 1 339 . 1 1 42 42 ARG HG2 H 1 1.611 0.003 . 1 . . . . 42 ARG HG2 . 17024 1 340 . 1 1 42 42 ARG C C 13 178.364 0.150 . 1 . . . . 42 ARG C . 17024 1 341 . 1 1 42 42 ARG CA C 13 58.384 0.150 . 1 . . . . 42 ARG CA . 17024 1 342 . 1 1 42 42 ARG CB C 13 30.029 0.150 . 1 . . . . 42 ARG CB . 17024 1 343 . 1 1 42 42 ARG N N 15 118.999 0.072 . 1 . . . . 42 ARG N . 17024 1 344 . 1 1 43 43 GLN H H 1 7.833 0.003 . 1 . . . . 43 GLN H . 17024 1 345 . 1 1 43 43 GLN HA H 1 4.076 0.010 . 1 . . . . 43 GLN HA . 17024 1 346 . 1 1 43 43 GLN HB2 H 1 1.925 0.007 . 2 . . . . 43 GLN HB2 . 17024 1 347 . 1 1 43 43 GLN HB3 H 1 2.048 0.150 . 2 . . . . 43 GLN HB3 . 17024 1 348 . 1 1 43 43 GLN HE21 H 1 6.774 0.003 . 1 . . . . 43 GLN HE21 . 17024 1 349 . 1 1 43 43 GLN HE22 H 1 7.131 0.003 . 1 . . . . 43 GLN HE22 . 17024 1 350 . 1 1 43 43 GLN HG2 H 1 2.171 0.006 . 1 . . . . 43 GLN HG2 . 17024 1 351 . 1 1 43 43 GLN C C 13 177.410 0.150 . 1 . . . . 43 GLN C . 17024 1 352 . 1 1 43 43 GLN CA C 13 57.148 0.150 . 1 . . . . 43 GLN CA . 17024 1 353 . 1 1 43 43 GLN CB C 13 28.613 0.060 . 1 . . . . 43 GLN CB . 17024 1 354 . 1 1 43 43 GLN CD C 13 180.059 0.008 . 1 . . . . 43 GLN CD . 17024 1 355 . 1 1 43 43 GLN CG C 13 33.556 0.017 . 1 . . . . 43 GLN CG . 17024 1 356 . 1 1 43 43 GLN N N 15 118.101 0.030 . 1 . . . . 43 GLN N . 17024 1 357 . 1 1 43 43 GLN NE2 N 15 111.616 0.205 . 1 . . . . 43 GLN NE2 . 17024 1 358 . 1 1 44 44 GLN H H 1 7.963 0.003 . 1 . . . . 44 GLN H . 17024 1 359 . 1 1 44 44 GLN HA H 1 4.196 0.150 . 1 . . . . 44 GLN HA . 17024 1 360 . 1 1 44 44 GLN HB2 H 1 2.081 0.150 . 1 . . . . 44 GLN HB2 . 17024 1 361 . 1 1 44 44 GLN HE21 H 1 6.814 0.001 . 1 . . . . 44 GLN HE21 . 17024 1 362 . 1 1 44 44 GLN HE22 H 1 7.433 0.020 . 1 . . . . 44 GLN HE22 . 17024 1 363 . 1 1 44 44 GLN HG2 H 1 2.408 0.020 . 1 . . . . 44 GLN HG2 . 17024 1 364 . 1 1 44 44 GLN C C 13 176.660 0.150 . 1 . . . . 44 GLN C . 17024 1 365 . 1 1 44 44 GLN CA C 13 56.978 0.150 . 1 . . . . 44 GLN CA . 17024 1 366 . 1 1 44 44 GLN CB C 13 28.716 0.054 . 1 . . . . 44 GLN CB . 17024 1 367 . 1 1 44 44 GLN CD C 13 180.283 0.150 . 1 . . . . 44 GLN CD . 17024 1 368 . 1 1 44 44 GLN CG C 13 33.698 0.150 . 1 . . . . 44 GLN CG . 17024 1 369 . 1 1 44 44 GLN N N 15 118.958 0.017 . 1 . . . . 44 GLN N . 17024 1 370 . 1 1 44 44 GLN NE2 N 15 111.434 0.157 . 1 . . . . 44 GLN NE2 . 17024 1 371 . 1 1 45 45 ASN H H 1 8.174 0.003 . 1 . . . . 45 ASN H . 17024 1 372 . 1 1 45 45 ASN HD21 H 1 6.911 0.002 . 1 . . . . 45 ASN HD21 . 17024 1 373 . 1 1 45 45 ASN HD22 H 1 7.601 0.002 . 1 . . . . 45 ASN HD22 . 17024 1 374 . 1 1 45 45 ASN C C 13 175.681 0.150 . 1 . . . . 45 ASN C . 17024 1 375 . 1 1 45 45 ASN CA C 13 53.978 0.055 . 1 . . . . 45 ASN CA . 17024 1 376 . 1 1 45 45 ASN CB C 13 38.965 0.064 . 1 . . . . 45 ASN CB . 17024 1 377 . 1 1 45 45 ASN CG C 13 177.143 0.015 . 1 . . . . 45 ASN CG . 17024 1 378 . 1 1 45 45 ASN N N 15 118.292 0.044 . 1 . . . . 45 ASN N . 17024 1 379 . 1 1 45 45 ASN ND2 N 15 112.443 0.179 . 1 . . . . 45 ASN ND2 . 17024 1 380 . 1 1 46 46 SER H H 1 8.124 0.004 . 1 . . . . 46 SER H . 17024 1 381 . 1 1 46 46 SER C C 13 175.186 0.150 . 1 . . . . 46 SER C . 17024 1 382 . 1 1 46 46 SER CA C 13 59.368 0.150 . 1 . . . . 46 SER CA . 17024 1 383 . 1 1 46 46 SER CB C 13 63.993 0.150 . 1 . . . . 46 SER CB . 17024 1 384 . 1 1 46 46 SER N N 15 115.498 0.052 . 1 . . . . 46 SER N . 17024 1 385 . 1 1 47 47 GLY H H 1 8.343 0.002 . 1 . . . . 47 GLY H . 17024 1 386 . 1 1 47 47 GLY HA2 H 1 3.967 0.007 . 1 . . . . 47 GLY HA2 . 17024 1 387 . 1 1 47 47 GLY C C 13 174.061 0.150 . 1 . . . . 47 GLY C . 17024 1 388 . 1 1 47 47 GLY CA C 13 45.435 0.150 . 1 . . . . 47 GLY CA . 17024 1 389 . 1 1 47 47 GLY N N 15 110.309 0.041 . 1 . . . . 47 GLY N . 17024 1 390 . 1 1 48 48 ARG H H 1 7.989 0.002 . 1 . . . . 48 ARG H . 17024 1 391 . 1 1 48 48 ARG HA H 1 4.369 0.150 . 1 . . . . 48 ARG HA . 17024 1 392 . 1 1 48 48 ARG C C 13 176.231 0.150 . 1 . . . . 48 ARG C . 17024 1 393 . 1 1 48 48 ARG CA C 13 56.332 0.150 . 1 . . . . 48 ARG CA . 17024 1 394 . 1 1 48 48 ARG CB C 13 30.636 0.150 . 1 . . . . 48 ARG CB . 17024 1 395 . 1 1 48 48 ARG N N 15 120.099 0.011 . 1 . . . . 48 ARG N . 17024 1 396 . 1 1 49 49 MET H H 1 8.354 0.002 . 1 . . . . 49 MET H . 17024 1 397 . 1 1 49 49 MET C C 13 175.957 0.150 . 1 . . . . 49 MET C . 17024 1 398 . 1 1 49 49 MET CA C 13 55.850 0.150 . 1 . . . . 49 MET CA . 17024 1 399 . 1 1 49 49 MET CB C 13 32.700 0.150 . 1 . . . . 49 MET CB . 17024 1 400 . 1 1 49 49 MET N N 15 121.138 0.001 . 1 . . . . 49 MET N . 17024 1 401 . 1 1 50 50 SER H H 1 8.326 0.003 . 1 . . . . 50 SER H . 17024 1 402 . 1 1 50 50 SER N N 15 118.412 0.056 . 1 . . . . 50 SER N . 17024 1 403 . 1 1 51 51 PRO C C 13 177.020 0.150 . 1 . . . . 51 PRO C . 17024 1 404 . 1 1 51 51 PRO CA C 13 63.681 0.150 . 1 . . . . 51 PRO CA . 17024 1 405 . 1 1 51 51 PRO CB C 13 31.893 0.150 . 1 . . . . 51 PRO CB . 17024 1 406 . 1 1 52 52 MET H H 1 8.413 0.003 . 1 . . . . 52 MET H . 17024 1 407 . 1 1 52 52 MET C C 13 176.783 0.150 . 1 . . . . 52 MET C . 17024 1 408 . 1 1 52 52 MET CA C 13 56.030 0.150 . 1 . . . . 52 MET CA . 17024 1 409 . 1 1 52 52 MET CB C 13 32.745 0.150 . 1 . . . . 52 MET CB . 17024 1 410 . 1 1 52 52 MET N N 15 120.003 0.016 . 1 . . . . 52 MET N . 17024 1 411 . 1 1 53 53 GLY H H 1 8.383 0.001 . 1 . . . . 53 GLY H . 17024 1 412 . 1 1 53 53 GLY C C 13 174.304 0.150 . 1 . . . . 53 GLY C . 17024 1 413 . 1 1 53 53 GLY CA C 13 45.350 0.150 . 1 . . . . 53 GLY CA . 17024 1 414 . 1 1 53 53 GLY N N 15 110.082 0.036 . 1 . . . . 53 GLY N . 17024 1 415 . 1 1 54 54 THR H H 1 8.063 0.002 . 1 . . . . 54 THR H . 17024 1 416 . 1 1 54 54 THR C C 13 174.565 0.150 . 1 . . . . 54 THR C . 17024 1 417 . 1 1 54 54 THR CA C 13 62.014 0.150 . 1 . . . . 54 THR CA . 17024 1 418 . 1 1 54 54 THR CB C 13 70.111 0.150 . 1 . . . . 54 THR CB . 17024 1 419 . 1 1 54 54 THR N N 15 113.578 0.004 . 1 . . . . 54 THR N . 17024 1 420 . 1 1 55 55 ALA H H 1 8.427 0.003 . 1 . . . . 55 ALA H . 17024 1 421 . 1 1 55 55 ALA C C 13 177.828 0.150 . 1 . . . . 55 ALA C . 17024 1 422 . 1 1 55 55 ALA CA C 13 52.701 0.150 . 1 . . . . 55 ALA CA . 17024 1 423 . 1 1 55 55 ALA CB C 13 18.918 0.150 . 1 . . . . 55 ALA CB . 17024 1 424 . 1 1 55 55 ALA N N 15 126.660 0.034 . 1 . . . . 55 ALA N . 17024 1 425 . 1 1 56 56 SER H H 1 8.332 0.003 . 1 . . . . 56 SER H . 17024 1 426 . 1 1 56 56 SER C C 13 175.167 0.150 . 1 . . . . 56 SER C . 17024 1 427 . 1 1 56 56 SER CA C 13 58.657 0.150 . 1 . . . . 56 SER CA . 17024 1 428 . 1 1 56 56 SER CB C 13 63.871 0.150 . 1 . . . . 56 SER CB . 17024 1 429 . 1 1 56 56 SER N N 15 115.364 0.088 . 1 . . . . 56 SER N . 17024 1 430 . 1 1 57 57 GLY H H 1 8.410 0.002 . 1 . . . . 57 GLY H . 17024 1 431 . 1 1 57 57 GLY C C 13 174.179 0.150 . 1 . . . . 57 GLY C . 17024 1 432 . 1 1 57 57 GLY CA C 13 45.391 0.150 . 1 . . . . 57 GLY CA . 17024 1 433 . 1 1 57 57 GLY N N 15 110.964 0.043 . 1 . . . . 57 GLY N . 17024 1 434 . 1 1 58 58 SER H H 1 8.230 0.002 . 1 . . . . 58 SER H . 17024 1 435 . 1 1 58 58 SER CA C 13 58.385 0.150 . 1 . . . . 58 SER CA . 17024 1 436 . 1 1 58 58 SER CB C 13 63.893 0.150 . 1 . . . . 58 SER CB . 17024 1 437 . 1 1 58 58 SER N N 15 115.403 0.066 . 1 . . . . 58 SER N . 17024 1 438 . 1 1 59 59 ASN H H 1 8.509 0.001 . 1 . . . . 59 ASN H . 17024 1 439 . 1 1 59 59 ASN HD21 H 1 6.910 0.020 . 1 . . . . 59 ASN HD21 . 17024 1 440 . 1 1 59 59 ASN HD22 H 1 7.581 0.020 . 1 . . . . 59 ASN HD22 . 17024 1 441 . 1 1 59 59 ASN C C 13 174.822 0.150 . 1 . . . . 59 ASN C . 17024 1 442 . 1 1 59 59 ASN CA C 13 53.357 0.150 . 1 . . . . 59 ASN CA . 17024 1 443 . 1 1 59 59 ASN CB C 13 38.982 0.150 . 1 . . . . 59 ASN CB . 17024 1 444 . 1 1 59 59 ASN CG C 13 177.183 0.006 . 1 . . . . 59 ASN CG . 17024 1 445 . 1 1 59 59 ASN N N 15 120.702 0.007 . 1 . . . . 59 ASN N . 17024 1 446 . 1 1 59 59 ASN ND2 N 15 112.789 0.088 . 1 . . . . 59 ASN ND2 . 17024 1 447 . 1 1 60 60 SER H H 1 8.226 0.004 . 1 . . . . 60 SER H . 17024 1 448 . 1 1 60 60 SER N N 15 117.283 0.006 . 1 . . . . 60 SER N . 17024 1 449 . 1 1 61 61 PRO C C 13 176.380 0.150 . 1 . . . . 61 PRO C . 17024 1 450 . 1 1 61 61 PRO CA C 13 63.738 0.150 . 1 . . . . 61 PRO CA . 17024 1 451 . 1 1 61 61 PRO CB C 13 31.855 0.150 . 1 . . . . 61 PRO CB . 17024 1 452 . 1 1 62 62 THR H H 1 7.785 0.002 . 1 . . . . 62 THR H . 17024 1 453 . 1 1 62 62 THR N N 15 119.173 0.031 . 1 . . . . 62 THR N . 17024 1 stop_ save_