data_36671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36671 _Entry.Title ; Solution NMR Structure of PACT D3 Homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-08 _Entry.Accession_date 2026-03-30 _Entry.Last_release_date 2026-03-30 _Entry.Original_release_date 2026-03-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Zhao L. . . . 36671 2 S. Ahmad S. . . . 36671 3 S. Hur S. . . . 36671 4 J. Chou J. . . . 36671 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 36671 'dsRNA-binding protein' . 36671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 36671 '15N chemical shifts' 63 36671 '1H chemical shifts' 63 36671 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 . . 2026-06-08 . original BMRB . 36671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8ZU6 'BMRB Entry Tracking System' 36671 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36671 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40199855 _Citation.DOI 10.1038/s41467-025-58433-x _Citation.Full_citation . _Citation.Title ; PACT prevents aberrant activation of PKR by endogenous dsRNA without sequestration. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 3325 _Citation.Page_last 3325 _Citation.Year 2025 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sadeem Ahmad S. . . . 36671 1 2 Tao Zou T. . . . 36671 1 3 Jihee Hwang J. . . . 36671 1 4 Linlin Zhao L. . . . 36671 1 5 Xi Wang X. . . . 36671 1 6 Anton Davydenko A. . . . 36671 1 7 Ilana Buchumenski I. . . . 36671 1 8 Patrick Zhuang P. . . . 36671 1 9 Alyssa Fishbein A. R. . . 36671 1 10 Diego Capcha-Rodriguez D. . . . 36671 1 11 Aaron Orgel A. . . . 36671 1 12 Erez Levanon E. Y. . . 36671 1 13 Sua Myong S. . . . 36671 1 14 James Chou J. . . . 36671 1 15 Matthew Meyerson M. . . . 36671 1 16 Sun Hur S. . . . 36671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36671 _Assembly.ID 1 _Assembly.Name 'Interferon-inducible double-stranded RNA-dependent protein kinase activator A' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 41085.428 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1_1 1 $entity_1 A A yes . . . A ; PKR-associated protein X,PKR-associating protein X,Protein activator of the interferon-induced protein kinase,Protein kinase,interferon-inducible double-stranded RNA-dependent activator ; . 36671 1 2 entity_1_2 1 $entity_1 B B . . . . A ; PKR-associated protein X,PKR-associating protein X,Protein activator of the interferon-induced protein kinase,Protein kinase,interferon-inducible double-stranded RNA-dependent activator ; . 36671 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 MET 1 . A 6 MET . start . . 36671 1 . 1 1 10 ALA 10 . A 15 ALA . middle . . 36671 1 . 1 1 11 ALA 11 . A 16 ALA . middle . . 36671 1 . 1 1 12 LEU 12 . A 17 LEU . middle . . 36671 1 . 1 1 13 GLU 13 . A 18 GLU . middle . . 36671 1 . 1 1 14 VAL 14 . A 19 VAL . middle . . 36671 1 . 1 1 15 LEU 15 . A 20 LEU . middle . . 36671 1 . 1 1 16 PHE 16 . A 21 PHE . middle . . 36671 1 . 1 1 17 GLN 17 . A 22 GLN . middle . . 36671 1 . 1 1 18 GLY 18 . A 23 GLY . middle no . 36671 1 . 1 1 19 PRO 19 . A 24 PRO . middle no . 36671 1 . 1 1 2 ALA 2 . A 7 ALA . middle . . 36671 1 . 1 1 20 GLY 20 . A 25 GLY . middle no . 36671 1 . 1 1 21 TYR 21 . A 26 TYR . middle . . 36671 1 . 1 1 22 GLN 22 . A 27 GLN . middle . . 36671 1 . 1 1 23 ASP 23 . A 28 ASP . middle . . 36671 1 . 1 1 24 PRO 24 . A 29 PRO . middle no . 36671 1 . 1 1 25 ASP 25 . A 30 ASP . middle . . 36671 1 . 1 1 26 TYR 26 . A 31 TYR . middle . . 36671 1 . 1 1 27 ILE 27 . A 32 ILE . middle . . 36671 1 . 1 1 28 GLN 28 . A 33 GLN . middle . . 36671 1 . 1 1 29 LEU 29 . A 34 LEU . middle . . 36671 1 . 1 1 3 HIS 3 . A 8 HIS . middle . . 36671 1 . 1 1 30 LEU 30 . A 35 LEU . middle . . 36671 1 . 1 1 31 SER 31 . A 36 SER . middle . . 36671 1 . 1 1 32 GLU 32 . A 37 GLU . middle . . 36671 1 . 1 1 33 ILE 33 . A 38 ILE . middle . . 36671 1 . 1 1 34 ALA 34 . A 39 ALA . middle . . 36671 1 . 1 1 35 LYS 35 . A 40 LYS . middle . . 36671 1 . 1 1 36 GLU 36 . A 41 GLU . middle . . 36671 1 . 1 1 37 GLN 37 . A 42 GLN . middle . . 36671 1 . 1 1 38 GLY 38 . A 43 GLY . middle no . 36671 1 . 1 1 39 PHE 39 . A 44 PHE . middle . . 36671 1 . 1 1 4 HIS 4 . A 9 HIS . middle . . 36671 1 . 1 1 40 ASN 40 . A 45 ASN . middle . . 36671 1 . 1 1 41 ILE 41 . A 46 ILE . middle . . 36671 1 . 1 1 42 THR 42 . A 47 THR . middle . . 36671 1 . 1 1 43 TYR 43 . A 48 TYR . middle . . 36671 1 . 1 1 44 LEU 44 . A 49 LEU . middle . . 36671 1 . 1 1 45 ASP 45 . A 50 ASP . middle . . 36671 1 . 1 1 46 ILE 46 . A 51 ILE . middle . . 36671 1 . 1 1 47 ASP 47 . A 52 ASP . middle . . 36671 1 . 1 1 48 GLU 48 . A 53 GLU . middle . . 36671 1 . 1 1 49 LEU 49 . A 54 LEU . middle . . 36671 1 . 1 1 5 HIS 5 . A 10 HIS . middle . . 36671 1 . 1 1 50 SER 50 . A 55 SER . middle . . 36671 1 . 1 1 51 ALA 51 . A 56 ALA . middle . . 36671 1 . 1 1 52 ASN 52 . A 57 ASN . middle . . 36671 1 . 1 1 53 GLY 53 . A 58 GLY . middle no . 36671 1 . 1 1 54 GLN 54 . A 59 GLN . middle . . 36671 1 . 1 1 55 TYR 55 . A 60 TYR . middle . . 36671 1 . 1 1 56 GLN 56 . A 61 GLN . middle . . 36671 1 . 1 1 57 CYS 57 . A 62 CYS . middle . . 36671 1 . 1 1 58 LEU 58 . A 63 LEU . middle . . 36671 1 . 1 1 59 ALA 59 . A 64 ALA . middle . . 36671 1 . 1 1 6 HIS 6 . A 11 HIS . middle . . 36671 1 . 1 1 60 GLU 60 . A 65 GLU . middle . . 36671 1 . 1 1 61 LEU 61 . A 66 LEU . middle . . 36671 1 . 1 1 62 SER 62 . A 67 SER . middle . . 36671 1 . 1 1 63 THR 63 . A 68 THR . middle . . 36671 1 . 1 1 64 SER 64 . A 69 SER . middle . . 36671 1 . 1 1 65 PRO 65 . A 70 PRO . middle no . 36671 1 . 1 1 66 ILE 66 . A 71 ILE . middle . . 36671 1 . 1 1 67 THR 67 . A 72 THR . middle . . 36671 1 . 1 1 68 VAL 68 . A 73 VAL . middle . . 36671 1 . 1 1 69 CYS 69 . A 74 CYS . middle . . 36671 1 . 1 1 7 HIS 7 . A 12 HIS . middle . . 36671 1 . 1 1 70 HIS 70 . A 75 HIS . middle . . 36671 1 . 1 1 71 GLY 71 . A 76 GLY . middle no . 36671 1 . 1 1 72 SER 72 . A 77 SER . middle . . 36671 1 . 1 1 73 GLY 73 . A 78 GLY . middle no . 36671 1 . 1 1 74 ILE 74 . A 79 ILE . middle . . 36671 1 . 1 1 75 SER 75 . A 80 SER . middle . . 36671 1 . 1 1 76 CYS 76 . A 81 CYS . middle . . 36671 1 . 1 1 77 GLY 77 . A 82 GLY . middle no . 36671 1 . 1 1 78 ASN 78 . A 83 ASN . middle . . 36671 1 . 1 1 79 ALA 79 . A 84 ALA . middle . . 36671 1 . 1 1 8 HIS 8 . A 13 HIS . middle . . 36671 1 . 1 1 80 GLN 80 . A 85 GLN . middle . . 36671 1 . 1 1 81 SER 81 . A 86 SER . middle . . 36671 1 . 1 1 82 ASP 82 . A 87 ASP . middle . . 36671 1 . 1 1 83 ALA 83 . A 88 ALA . middle . . 36671 1 . 1 1 84 ALA 84 . A 89 ALA . middle . . 36671 1 . 1 1 85 HIS 85 . A 90 HIS . middle . . 36671 1 . 1 1 86 ASN 86 . A 91 ASN . middle . . 36671 1 . 1 1 87 ALA 87 . A 92 ALA . middle . . 36671 1 . 1 1 88 LEU 88 . A 93 LEU . middle . . 36671 1 . 1 1 89 GLN 89 . A 94 GLN . middle . . 36671 1 . 1 1 9 SER 9 . A 14 SER . middle . . 36671 1 . 1 1 90 TYR 90 . A 95 TYR . middle . . 36671 1 . 1 1 91 LEU 91 . A 96 LEU . middle . . 36671 1 . 1 1 92 LYS 92 . A 97 LYS . middle . . 36671 1 . 1 1 93 ILE 93 . A 98 ILE . middle . . 36671 1 . 1 1 94 ILE 94 . A 99 ILE . end . . 36671 1 . 2 1 1 MET 1 . B 6 MET . start . . 36671 1 . 2 1 10 ALA 10 . B 15 ALA . middle . . 36671 1 . 2 1 11 ALA 11 . B 16 ALA . middle . . 36671 1 . 2 1 12 LEU 12 . B 17 LEU . middle . . 36671 1 . 2 1 13 GLU 13 . B 18 GLU . middle . . 36671 1 . 2 1 14 VAL 14 . B 19 VAL . middle . . 36671 1 . 2 1 15 LEU 15 . B 20 LEU . middle . . 36671 1 . 2 1 16 PHE 16 . B 21 PHE . middle . . 36671 1 . 2 1 17 GLN 17 . B 22 GLN . middle . . 36671 1 . 2 1 18 GLY 18 . B 23 GLY . middle no . 36671 1 . 2 1 19 PRO 19 . B 24 PRO . middle no . 36671 1 . 2 1 2 ALA 2 . B 7 ALA . middle . . 36671 1 . 2 1 20 GLY 20 . B 25 GLY . middle no . 36671 1 . 2 1 21 TYR 21 . B 26 TYR . middle . . 36671 1 . 2 1 22 GLN 22 . B 27 GLN . middle . . 36671 1 . 2 1 23 ASP 23 . B 28 ASP . middle . . 36671 1 . 2 1 24 PRO 24 . B 29 PRO . middle no . 36671 1 . 2 1 25 ASP 25 . B 30 ASP . middle . . 36671 1 . 2 1 26 TYR 26 . B 31 TYR . middle . . 36671 1 . 2 1 27 ILE 27 . B 32 ILE . middle . . 36671 1 . 2 1 28 GLN 28 . B 33 GLN . middle . . 36671 1 . 2 1 29 LEU 29 . B 34 LEU . middle . . 36671 1 . 2 1 3 HIS 3 . B 8 HIS . middle . . 36671 1 . 2 1 30 LEU 30 . B 35 LEU . middle . . 36671 1 . 2 1 31 SER 31 . B 36 SER . middle . . 36671 1 . 2 1 32 GLU 32 . B 37 GLU . middle . . 36671 1 . 2 1 33 ILE 33 . B 38 ILE . middle . . 36671 1 . 2 1 34 ALA 34 . B 39 ALA . middle . . 36671 1 . 2 1 35 LYS 35 . B 40 LYS . middle . . 36671 1 . 2 1 36 GLU 36 . B 41 GLU . middle . . 36671 1 . 2 1 37 GLN 37 . B 42 GLN . middle . . 36671 1 . 2 1 38 GLY 38 . B 43 GLY . middle no . 36671 1 . 2 1 39 PHE 39 . B 44 PHE . middle . . 36671 1 . 2 1 4 HIS 4 . B 9 HIS . middle . . 36671 1 . 2 1 40 ASN 40 . B 45 ASN . middle . . 36671 1 . 2 1 41 ILE 41 . B 46 ILE . middle . . 36671 1 . 2 1 42 THR 42 . B 47 THR . middle . . 36671 1 . 2 1 43 TYR 43 . B 48 TYR . middle . . 36671 1 . 2 1 44 LEU 44 . B 49 LEU . middle . . 36671 1 . 2 1 45 ASP 45 . B 50 ASP . middle . . 36671 1 . 2 1 46 ILE 46 . B 51 ILE . middle . . 36671 1 . 2 1 47 ASP 47 . B 52 ASP . middle . . 36671 1 . 2 1 48 GLU 48 . B 53 GLU . middle . . 36671 1 . 2 1 49 LEU 49 . B 54 LEU . middle . . 36671 1 . 2 1 5 HIS 5 . B 10 HIS . middle . . 36671 1 . 2 1 50 SER 50 . B 55 SER . middle . . 36671 1 . 2 1 51 ALA 51 . B 56 ALA . middle . . 36671 1 . 2 1 52 ASN 52 . B 57 ASN . middle . . 36671 1 . 2 1 53 GLY 53 . B 58 GLY . middle no . 36671 1 . 2 1 54 GLN 54 . B 59 GLN . middle . . 36671 1 . 2 1 55 TYR 55 . B 60 TYR . middle . . 36671 1 . 2 1 56 GLN 56 . B 61 GLN . middle . . 36671 1 . 2 1 57 CYS 57 . B 62 CYS . middle . . 36671 1 . 2 1 58 LEU 58 . B 63 LEU . middle . . 36671 1 . 2 1 59 ALA 59 . B 64 ALA . middle . . 36671 1 . 2 1 6 HIS 6 . B 11 HIS . middle . . 36671 1 . 2 1 60 GLU 60 . B 65 GLU . middle . . 36671 1 . 2 1 61 LEU 61 . B 66 LEU . middle . . 36671 1 . 2 1 62 SER 62 . B 67 SER . middle . . 36671 1 . 2 1 63 THR 63 . B 68 THR . middle . . 36671 1 . 2 1 64 SER 64 . B 69 SER . middle . . 36671 1 . 2 1 65 PRO 65 . B 70 PRO . middle no . 36671 1 . 2 1 66 ILE 66 . B 71 ILE . middle . . 36671 1 . 2 1 67 THR 67 . B 72 THR . middle . . 36671 1 . 2 1 68 VAL 68 . B 73 VAL . middle . . 36671 1 . 2 1 69 CYS 69 . B 74 CYS . middle . . 36671 1 . 2 1 7 HIS 7 . B 12 HIS . middle . . 36671 1 . 2 1 70 HIS 70 . B 75 HIS . middle . . 36671 1 . 2 1 71 GLY 71 . B 76 GLY . middle no . 36671 1 . 2 1 72 SER 72 . B 77 SER . middle . . 36671 1 . 2 1 73 GLY 73 . B 78 GLY . middle no . 36671 1 . 2 1 74 ILE 74 . B 79 ILE . middle . . 36671 1 . 2 1 75 SER 75 . B 80 SER . middle . . 36671 1 . 2 1 76 CYS 76 . B 81 CYS . middle . . 36671 1 . 2 1 77 GLY 77 . B 82 GLY . middle no . 36671 1 . 2 1 78 ASN 78 . B 83 ASN . middle . . 36671 1 . 2 1 79 ALA 79 . B 84 ALA . middle . . 36671 1 . 2 1 8 HIS 8 . B 13 HIS . middle . . 36671 1 . 2 1 80 GLN 80 . B 85 GLN . middle . . 36671 1 . 2 1 81 SER 81 . B 86 SER . middle . . 36671 1 . 2 1 82 ASP 82 . B 87 ASP . middle . . 36671 1 . 2 1 83 ALA 83 . B 88 ALA . middle . . 36671 1 . 2 1 84 ALA 84 . B 89 ALA . middle . . 36671 1 . 2 1 85 HIS 85 . B 90 HIS . middle . . 36671 1 . 2 1 86 ASN 86 . B 91 ASN . middle . . 36671 1 . 2 1 87 ALA 87 . B 92 ALA . middle . . 36671 1 . 2 1 88 LEU 88 . B 93 LEU . middle . . 36671 1 . 2 1 89 GLN 89 . B 94 GLN . middle . . 36671 1 . 2 1 9 SER 9 . B 14 SER . middle . . 36671 1 . 2 1 90 TYR 90 . B 95 TYR . middle . . 36671 1 . 2 1 91 LEU 91 . B 96 LEU . middle . . 36671 1 . 2 1 92 LYS 92 . B 97 LYS . middle . . 36671 1 . 2 1 93 ILE 93 . B 98 ILE . middle . . 36671 1 . 2 1 94 ILE 94 . B 99 ILE . end . . 36671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Interferon-inducible double-stranded RNA-dependent protein kinase activator A' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHSAALEVLFQGPG YQDPDYIQLLSEIAKEQGFN ITYLDIDELSANGQYQCLAE LSTSPITVCHGSGISCGNAQ SDAAHNALQYLKII ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10271.357 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ; PKR-associated protein X,PKR-associating protein X,Protein activator of the interferon-induced protein kinase,Protein kinase,interferon-inducible double-stranded RNA-dependent activator ; common 36671 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 6 MET . 36671 1 2 7 ALA . 36671 1 3 8 HIS . 36671 1 4 9 HIS . 36671 1 5 10 HIS . 36671 1 6 11 HIS . 36671 1 7 12 HIS . 36671 1 8 13 HIS . 36671 1 9 14 SER . 36671 1 10 15 ALA . 36671 1 11 16 ALA . 36671 1 12 17 LEU . 36671 1 13 18 GLU . 36671 1 14 19 VAL . 36671 1 15 20 LEU . 36671 1 16 21 PHE . 36671 1 17 22 GLN . 36671 1 18 23 GLY . 36671 1 19 24 PRO . 36671 1 20 25 GLY . 36671 1 21 26 TYR . 36671 1 22 27 GLN . 36671 1 23 28 ASP . 36671 1 24 29 PRO . 36671 1 25 30 ASP . 36671 1 26 31 TYR . 36671 1 27 32 ILE . 36671 1 28 33 GLN . 36671 1 29 34 LEU . 36671 1 30 35 LEU . 36671 1 31 36 SER . 36671 1 32 37 GLU . 36671 1 33 38 ILE . 36671 1 34 39 ALA . 36671 1 35 40 LYS . 36671 1 36 41 GLU . 36671 1 37 42 GLN . 36671 1 38 43 GLY . 36671 1 39 44 PHE . 36671 1 40 45 ASN . 36671 1 41 46 ILE . 36671 1 42 47 THR . 36671 1 43 48 TYR . 36671 1 44 49 LEU . 36671 1 45 50 ASP . 36671 1 46 51 ILE . 36671 1 47 52 ASP . 36671 1 48 53 GLU . 36671 1 49 54 LEU . 36671 1 50 55 SER . 36671 1 51 56 ALA . 36671 1 52 57 ASN . 36671 1 53 58 GLY . 36671 1 54 59 GLN . 36671 1 55 60 TYR . 36671 1 56 61 GLN . 36671 1 57 62 CYS . 36671 1 58 63 LEU . 36671 1 59 64 ALA . 36671 1 60 65 GLU . 36671 1 61 66 LEU . 36671 1 62 67 SER . 36671 1 63 68 THR . 36671 1 64 69 SER . 36671 1 65 70 PRO . 36671 1 66 71 ILE . 36671 1 67 72 THR . 36671 1 68 73 VAL . 36671 1 69 74 CYS . 36671 1 70 75 HIS . 36671 1 71 76 GLY . 36671 1 72 77 SER . 36671 1 73 78 GLY . 36671 1 74 79 ILE . 36671 1 75 80 SER . 36671 1 76 81 CYS . 36671 1 77 82 GLY . 36671 1 78 83 ASN . 36671 1 79 84 ALA . 36671 1 80 85 GLN . 36671 1 81 86 SER . 36671 1 82 87 ASP . 36671 1 83 88 ALA . 36671 1 84 89 ALA . 36671 1 85 90 HIS . 36671 1 86 91 ASN . 36671 1 87 92 ALA . 36671 1 88 93 LEU . 36671 1 89 94 GLN . 36671 1 90 95 TYR . 36671 1 91 96 LEU . 36671 1 92 97 LYS . 36671 1 93 98 ILE . 36671 1 94 99 ILE . 36671 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36671 1 . ALA 2 2 36671 1 . HIS 3 3 36671 1 . HIS 4 4 36671 1 . HIS 5 5 36671 1 . HIS 6 6 36671 1 . HIS 7 7 36671 1 . HIS 8 8 36671 1 . SER 9 9 36671 1 . ALA 10 10 36671 1 . ALA 11 11 36671 1 . LEU 12 12 36671 1 . GLU 13 13 36671 1 . VAL 14 14 36671 1 . LEU 15 15 36671 1 . PHE 16 16 36671 1 . GLN 17 17 36671 1 . GLY 18 18 36671 1 . PRO 19 19 36671 1 . GLY 20 20 36671 1 . TYR 21 21 36671 1 . GLN 22 22 36671 1 . ASP 23 23 36671 1 . PRO 24 24 36671 1 . ASP 25 25 36671 1 . TYR 26 26 36671 1 . ILE 27 27 36671 1 . GLN 28 28 36671 1 . LEU 29 29 36671 1 . LEU 30 30 36671 1 . SER 31 31 36671 1 . GLU 32 32 36671 1 . ILE 33 33 36671 1 . ALA 34 34 36671 1 . LYS 35 35 36671 1 . GLU 36 36 36671 1 . GLN 37 37 36671 1 . GLY 38 38 36671 1 . PHE 39 39 36671 1 . ASN 40 40 36671 1 . ILE 41 41 36671 1 . THR 42 42 36671 1 . TYR 43 43 36671 1 . LEU 44 44 36671 1 . ASP 45 45 36671 1 . ILE 46 46 36671 1 . ASP 47 47 36671 1 . GLU 48 48 36671 1 . LEU 49 49 36671 1 . SER 50 50 36671 1 . ALA 51 51 36671 1 . ASN 52 52 36671 1 . GLY 53 53 36671 1 . GLN 54 54 36671 1 . TYR 55 55 36671 1 . GLN 56 56 36671 1 . CYS 57 57 36671 1 . LEU 58 58 36671 1 . ALA 59 59 36671 1 . GLU 60 60 36671 1 . LEU 61 61 36671 1 . SER 62 62 36671 1 . THR 63 63 36671 1 . SER 64 64 36671 1 . PRO 65 65 36671 1 . ILE 66 66 36671 1 . THR 67 67 36671 1 . VAL 68 68 36671 1 . CYS 69 69 36671 1 . HIS 70 70 36671 1 . GLY 71 71 36671 1 . SER 72 72 36671 1 . GLY 73 73 36671 1 . ILE 74 74 36671 1 . SER 75 75 36671 1 . CYS 76 76 36671 1 . GLY 77 77 36671 1 . ASN 78 78 36671 1 . ALA 79 79 36671 1 . GLN 80 80 36671 1 . SER 81 81 36671 1 . ASP 82 82 36671 1 . ALA 83 83 36671 1 . ALA 84 84 36671 1 . HIS 85 85 36671 1 . ASN 86 86 36671 1 . ALA 87 87 36671 1 . LEU 88 88 36671 1 . GLN 89 89 36671 1 . TYR 90 90 36671 1 . LEU 91 91 36671 1 . LYS 92 92 36671 1 . ILE 93 93 36671 1 . ILE 94 94 36671 1 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 36671 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PRKRA, PACT, RAX, HSD-14, HSD14' . 36671 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 36671 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36671 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36671 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-13C; U-15N] PACT D3, 90% H2O/10% D2O' _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 'PACT D3' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.7 . . mM . . . . 36671 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36671 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36671 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36671 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-15N] PACT D3, 90% H2O/10% D2O' _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 'PACT D3' [U-15N] 1 $assembly 1 $entity_1 . protein 0.7 . . mM . . . . 36671 2 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36671 2 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36671 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36671 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 36671 1 pH 7.5 . pH 36671 1 pressure 1 . Pa 36671 1 temperature 298 . K 36671 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36671 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 36671 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36671 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36671 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36671 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36671 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36671 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 36671 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36671 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36671 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36671 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36671 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36671 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36671 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 36671 1 2 NMR_spectrometer_2 Bruker AVANCE . 900 . . . 36671 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36671 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36671 1 2 '2D 1H-1H NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36671 1 3 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36671 1 4 '3D HN(CO)CA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36671 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36671 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36671 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36671 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36671 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36671 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36671 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 2 $sample_2 isotropic 36671 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36671 1 3 '3D HNCA' 1 $sample_1 isotropic 36671 1 4 '3D HN(CO)CA' 1 $sample_1 isotropic 36671 1 5 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36671 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 25 25 ASP H H 1 8.22 0.010 . 1 . . . . A 30 ASP H . 36671 1 2 . 1 . 1 25 25 ASP C C 13 175.64 0.050 . 1 . . . . A 30 ASP C . 36671 1 3 . 1 . 1 25 25 ASP CA C 13 51.58 0.050 . 1 . . . . A 30 ASP CA . 36671 1 4 . 1 . 1 25 25 ASP CB C 13 38.36 0.050 . 1 . . . . A 30 ASP CB . 36671 1 5 . 1 . 1 25 25 ASP N N 15 125.33 0.030 . 1 . . . . A 30 ASP N . 36671 1 6 . 1 . 1 26 26 TYR H H 1 7.47 0.010 . 1 . . . . A 31 TYR H . 36671 1 7 . 1 . 1 26 26 TYR C C 13 176.85 0.050 . 1 . . . . A 31 TYR C . 36671 1 8 . 1 . 1 26 26 TYR CA C 13 60.17 0.050 . 1 . . . . A 31 TYR CA . 36671 1 9 . 1 . 1 26 26 TYR CB C 13 36.82 0.050 . 1 . . . . A 31 TYR CB . 36671 1 10 . 1 . 1 26 26 TYR N N 15 123.61 0.030 . 1 . . . . A 31 TYR N . 36671 1 11 . 1 . 1 27 27 ILE H H 1 7.92 0.010 . 1 . . . . A 32 ILE H . 36671 1 12 . 1 . 1 27 27 ILE C C 13 179.13 0.050 . 1 . . . . A 32 ILE C . 36671 1 13 . 1 . 1 27 27 ILE CA C 13 64.21 0.050 . 1 . . . . A 32 ILE CA . 36671 1 14 . 1 . 1 27 27 ILE CB C 13 35.94 0.050 . 1 . . . . A 32 ILE CB . 36671 1 15 . 1 . 1 27 27 ILE N N 15 118.90 0.030 . 1 . . . . A 32 ILE N . 36671 1 16 . 1 . 1 28 28 GLN H H 1 7.69 0.010 . 1 . . . . A 33 GLN H . 36671 1 17 . 1 . 1 28 28 GLN C C 13 178.58 0.050 . 1 . . . . A 33 GLN C . 36671 1 18 . 1 . 1 28 28 GLN CA C 13 57.62 0.050 . 1 . . . . A 33 GLN CA . 36671 1 19 . 1 . 1 28 28 GLN CB C 13 26.28 0.050 . 1 . . . . A 33 GLN CB . 36671 1 20 . 1 . 1 28 28 GLN N N 15 122.33 0.030 . 1 . . . . A 33 GLN N . 36671 1 21 . 1 . 1 29 29 LEU H H 1 8.19 0.010 . 1 . . . . A 34 LEU H . 36671 1 22 . 1 . 1 29 29 LEU C C 13 179.37 0.050 . 1 . . . . A 34 LEU C . 36671 1 23 . 1 . 1 29 29 LEU CA C 13 57.35 0.050 . 1 . . . . A 34 LEU CA . 36671 1 24 . 1 . 1 29 29 LEU CB C 13 40.30 0.050 . 1 . . . . A 34 LEU CB . 36671 1 25 . 1 . 1 29 29 LEU N N 15 121.18 0.030 . 1 . . . . A 34 LEU N . 36671 1 26 . 1 . 1 30 30 LEU H H 1 8.54 0.010 . 1 . . . . A 35 LEU H . 36671 1 27 . 1 . 1 30 30 LEU C C 13 177.48 0.050 . 1 . . . . A 35 LEU C . 36671 1 28 . 1 . 1 30 30 LEU CA C 13 56.96 0.050 . 1 . . . . A 35 LEU CA . 36671 1 29 . 1 . 1 30 30 LEU CB C 13 39.01 0.050 . 1 . . . . A 35 LEU CB . 36671 1 30 . 1 . 1 30 30 LEU N N 15 120.56 0.030 . 1 . . . . A 35 LEU N . 36671 1 31 . 1 . 1 31 31 SER H H 1 7.80 0.010 . 1 . . . . A 36 SER H . 36671 1 32 . 1 . 1 31 31 SER C C 13 176.66 0.050 . 1 . . . . A 36 SER C . 36671 1 33 . 1 . 1 31 31 SER CA C 13 60.79 0.050 . 1 . . . . A 36 SER CA . 36671 1 34 . 1 . 1 31 31 SER CB C 13 61.65 0.050 . 1 . . . . A 36 SER CB . 36671 1 35 . 1 . 1 31 31 SER N N 15 115.05 0.030 . 1 . . . . A 36 SER N . 36671 1 36 . 1 . 1 32 32 GLU H H 1 7.76 0.010 . 1 . . . . A 37 GLU H . 36671 1 37 . 1 . 1 32 32 GLU C C 13 179.01 0.050 . 1 . . . . A 37 GLU C . 36671 1 38 . 1 . 1 32 32 GLU CA C 13 58.31 0.050 . 1 . . . . A 37 GLU CA . 36671 1 39 . 1 . 1 32 32 GLU CB C 13 27.57 0.050 . 1 . . . . A 37 GLU CB . 36671 1 40 . 1 . 1 32 32 GLU N N 15 122.33 0.030 . 1 . . . . A 37 GLU N . 36671 1 41 . 1 . 1 33 33 ILE H H 1 7.78 0.010 . 1 . . . . A 38 ILE H . 36671 1 42 . 1 . 1 33 33 ILE C C 13 176.97 0.050 . 1 . . . . A 38 ILE C . 36671 1 43 . 1 . 1 33 33 ILE CA C 13 63.38 0.050 . 1 . . . . A 38 ILE CA . 36671 1 44 . 1 . 1 33 33 ILE CB C 13 35.77 0.050 . 1 . . . . A 38 ILE CB . 36671 1 45 . 1 . 1 33 33 ILE N N 15 122.97 0.030 . 1 . . . . A 38 ILE N . 36671 1 46 . 1 . 1 34 34 ALA H H 1 8.27 0.010 . 1 . . . . A 39 ALA H . 36671 1 47 . 1 . 1 34 34 ALA C C 13 179.41 0.050 . 1 . . . . A 39 ALA C . 36671 1 48 . 1 . 1 34 34 ALA CA C 13 53.86 0.050 . 1 . . . . A 39 ALA CA . 36671 1 49 . 1 . 1 34 34 ALA CB C 13 17.00 0.050 . 1 . . . . A 39 ALA CB . 36671 1 50 . 1 . 1 34 34 ALA N N 15 123.93 0.030 . 1 . . . . A 39 ALA N . 36671 1 51 . 1 . 1 35 35 LYS H H 1 7.35 0.010 . 1 . . . . A 40 LYS H . 36671 1 52 . 1 . 1 35 35 LYS C C 13 178.90 0.050 . 1 . . . . A 40 LYS C . 36671 1 53 . 1 . 1 35 35 LYS CA C 13 57.90 0.050 . 1 . . . . A 40 LYS CA . 36671 1 54 . 1 . 1 35 35 LYS CB C 13 30.38 0.050 . 1 . . . . A 40 LYS CB . 36671 1 55 . 1 . 1 35 35 LYS N N 15 117.08 0.030 . 1 . . . . A 40 LYS N . 36671 1 56 . 1 . 1 36 36 GLU H H 1 7.56 0.010 . 1 . . . . A 41 GLU H . 36671 1 57 . 1 . 1 36 36 GLU C C 13 178.07 0.050 . 1 . . . . A 41 GLU C . 36671 1 58 . 1 . 1 36 36 GLU CA C 13 58.17 0.050 . 1 . . . . A 41 GLU CA . 36671 1 59 . 1 . 1 36 36 GLU CB C 13 28.24 0.050 . 1 . . . . A 41 GLU CB . 36671 1 60 . 1 . 1 36 36 GLU N N 15 119.76 0.030 . 1 . . . . A 41 GLU N . 36671 1 61 . 1 . 1 37 37 GLN H H 1 8.32 0.010 . 1 . . . . A 42 GLN H . 36671 1 62 . 1 . 1 37 37 GLN C C 13 176.42 0.050 . 1 . . . . A 42 GLN C . 36671 1 63 . 1 . 1 37 37 GLN CA C 13 55.62 0.050 . 1 . . . . A 42 GLN CA . 36671 1 64 . 1 . 1 37 37 GLN CB C 13 27.58 0.050 . 1 . . . . A 42 GLN CB . 36671 1 65 . 1 . 1 37 37 GLN N N 15 115.48 0.030 . 1 . . . . A 42 GLN N . 36671 1 66 . 1 . 1 38 38 GLY H H 1 7.78 0.010 . 1 . . . . A 43 GLY H . 36671 1 67 . 1 . 1 38 38 GLY C C 13 173.68 0.050 . 1 . . . . A 43 GLY C . 36671 1 68 . 1 . 1 38 38 GLY CA C 13 45.58 0.050 . 1 . . . . A 43 GLY CA . 36671 1 69 . 1 . 1 38 38 GLY N N 15 109.50 0.030 . 1 . . . . A 43 GLY N . 36671 1 70 . 1 . 1 39 39 PHE H H 1 7.84 0.010 . 1 . . . . A 44 PHE H . 36671 1 71 . 1 . 1 39 39 PHE C C 13 171.80 0.050 . 1 . . . . A 44 PHE C . 36671 1 72 . 1 . 1 39 39 PHE CA C 13 54.17 0.050 . 1 . . . . A 44 PHE CA . 36671 1 73 . 1 . 1 39 39 PHE CB C 13 39.74 0.050 . 1 . . . . A 44 PHE CB . 36671 1 74 . 1 . 1 39 39 PHE N N 15 116.78 0.030 . 1 . . . . A 44 PHE N . 36671 1 75 . 1 . 1 40 40 ASN H H 1 9.02 0.010 . 1 . . . . A 45 ASN H . 36671 1 76 . 1 . 1 40 40 ASN C C 13 173.56 0.050 . 1 . . . . A 45 ASN C . 36671 1 77 . 1 . 1 40 40 ASN CA C 13 51.17 0.050 . 1 . . . . A 45 ASN CA . 36671 1 78 . 1 . 1 40 40 ASN CB C 13 40.18 0.050 . 1 . . . . A 45 ASN CB . 36671 1 79 . 1 . 1 40 40 ASN N N 15 117.83 0.030 . 1 . . . . A 45 ASN N . 36671 1 80 . 1 . 1 41 41 ILE H H 1 8.38 0.010 . 1 . . . . A 46 ILE H . 36671 1 81 . 1 . 1 41 41 ILE C C 13 175.44 0.050 . 1 . . . . A 46 ILE C . 36671 1 82 . 1 . 1 41 41 ILE CA C 13 58.57 0.050 . 1 . . . . A 46 ILE CA . 36671 1 83 . 1 . 1 41 41 ILE CB C 13 39.44 0.050 . 1 . . . . A 46 ILE CB . 36671 1 84 . 1 . 1 41 41 ILE N N 15 121.36 0.030 . 1 . . . . A 46 ILE N . 36671 1 85 . 1 . 1 42 42 THR H H 1 8.63 0.010 . 1 . . . . A 47 THR H . 36671 1 86 . 1 . 1 42 42 THR C C 13 172.03 0.050 . 1 . . . . A 47 THR C . 36671 1 87 . 1 . 1 42 42 THR CA C 13 60.38 0.050 . 1 . . . . A 47 THR CA . 36671 1 88 . 1 . 1 42 42 THR CB C 13 69.20 0.050 . 1 . . . . A 47 THR CB . 36671 1 89 . 1 . 1 42 42 THR N N 15 124.04 0.030 . 1 . . . . A 47 THR N . 36671 1 90 . 1 . 1 43 43 TYR H H 1 8.85 0.010 . 1 . . . . A 48 TYR H . 36671 1 91 . 1 . 1 43 43 TYR C C 13 174.82 0.050 . 1 . . . . A 48 TYR C . 36671 1 92 . 1 . 1 43 43 TYR CA C 13 57.48 0.050 . 1 . . . . A 48 TYR CA . 36671 1 93 . 1 . 1 43 43 TYR CB C 13 37.93 0.050 . 1 . . . . A 48 TYR CB . 36671 1 94 . 1 . 1 43 43 TYR N N 15 125.27 0.030 . 1 . . . . A 48 TYR N . 36671 1 95 . 1 . 1 44 44 LEU H H 1 9.36 0.010 . 1 . . . . A 49 LEU H . 36671 1 96 . 1 . 1 44 44 LEU C C 13 174.31 0.050 . 1 . . . . A 49 LEU C . 36671 1 97 . 1 . 1 44 44 LEU CA C 13 52.72 0.050 . 1 . . . . A 49 LEU CA . 36671 1 98 . 1 . 1 44 44 LEU CB C 13 41.16 0.050 . 1 . . . . A 49 LEU CB . 36671 1 99 . 1 . 1 44 44 LEU N N 15 127.62 0.030 . 1 . . . . A 49 LEU N . 36671 1 100 . 1 . 1 45 45 ASP H H 1 8.47 0.010 . 1 . . . . A 50 ASP H . 36671 1 101 . 1 . 1 45 45 ASP C C 13 175.44 0.050 . 1 . . . . A 50 ASP C . 36671 1 102 . 1 . 1 45 45 ASP CA C 13 54.17 0.050 . 1 . . . . A 50 ASP CA . 36671 1 103 . 1 . 1 45 45 ASP CB C 13 39.65 0.050 . 1 . . . . A 50 ASP CB . 36671 1 104 . 1 . 1 45 45 ASP N N 15 125.99 0.030 . 1 . . . . A 50 ASP N . 36671 1 105 . 1 . 1 46 46 ILE H H 1 7.82 0.010 . 1 . . . . A 51 ILE H . 36671 1 106 . 1 . 1 46 46 ILE C C 13 175.98 0.050 . 1 . . . . A 51 ILE C . 36671 1 107 . 1 . 1 46 46 ILE CA C 13 58.93 0.050 . 1 . . . . A 51 ILE CA . 36671 1 108 . 1 . 1 46 46 ILE CB C 13 36.20 0.050 . 1 . . . . A 51 ILE CB . 36671 1 109 . 1 . 1 46 46 ILE N N 15 125.54 0.030 . 1 . . . . A 51 ILE N . 36671 1 110 . 1 . 1 47 47 ASP H H 1 8.69 0.010 . 1 . . . . A 52 ASP H . 36671 1 111 . 1 . 1 47 47 ASP C C 13 176.19 0.050 . 1 . . . . A 52 ASP C . 36671 1 112 . 1 . 1 47 47 ASP CA C 13 55.61 0.050 . 1 . . . . A 52 ASP CA . 36671 1 113 . 1 . 1 47 47 ASP CB C 13 39.74 0.050 . 1 . . . . A 52 ASP CB . 36671 1 114 . 1 . 1 47 47 ASP N N 15 127.89 0.030 . 1 . . . . A 52 ASP N . 36671 1 115 . 1 . 1 48 48 GLU H H 1 7.98 0.010 . 1 . . . . A 53 GLU H . 36671 1 116 . 1 . 1 48 48 GLU C C 13 176.85 0.050 . 1 . . . . A 53 GLU C . 36671 1 117 . 1 . 1 48 48 GLU CA C 13 56.14 0.050 . 1 . . . . A 53 GLU CA . 36671 1 118 . 1 . 1 48 48 GLU CB C 13 28.43 0.050 . 1 . . . . A 53 GLU CB . 36671 1 119 . 1 . 1 48 48 GLU N N 15 120.29 0.030 . 1 . . . . A 53 GLU N . 36671 1 120 . 1 . 1 49 49 LEU H H 1 8.43 0.010 . 1 . . . . A 54 LEU H . 36671 1 121 . 1 . 1 49 49 LEU C C 13 177.72 0.050 . 1 . . . . A 54 LEU C . 36671 1 122 . 1 . 1 49 49 LEU CA C 13 53.65 0.050 . 1 . . . . A 54 LEU CA . 36671 1 123 . 1 . 1 49 49 LEU CB C 13 40.73 0.050 . 1 . . . . A 54 LEU CB . 36671 1 124 . 1 . 1 49 49 LEU N N 15 126.22 0.030 . 1 . . . . A 54 LEU N . 36671 1 125 . 1 . 1 50 50 SER H H 1 9.13 0.010 . 1 . . . . A 55 SER H . 36671 1 126 . 1 . 1 50 50 SER C C 13 175.37 0.050 . 1 . . . . A 55 SER C . 36671 1 127 . 1 . 1 50 50 SER CA C 13 57.07 0.050 . 1 . . . . A 55 SER CA . 36671 1 128 . 1 . 1 50 50 SER CB C 13 63.16 0.050 . 1 . . . . A 55 SER CB . 36671 1 129 . 1 . 1 50 50 SER N N 15 116.65 0.030 . 1 . . . . A 55 SER N . 36671 1 130 . 1 . 1 51 51 ALA H H 1 8.77 0.010 . 1 . . . . A 56 ALA H . 36671 1 131 . 1 . 1 51 51 ALA C C 13 177.72 0.050 . 1 . . . . A 56 ALA C . 36671 1 132 . 1 . 1 51 51 ALA CA C 13 53.75 0.050 . 1 . . . . A 56 ALA CA . 36671 1 133 . 1 . 1 51 51 ALA CB C 13 16.79 0.050 . 1 . . . . A 56 ALA CB . 36671 1 134 . 1 . 1 51 51 ALA N N 15 125.00 0.030 . 1 . . . . A 56 ALA N . 36671 1 135 . 1 . 1 53 53 GLY C C 13 173.29 0.050 . 1 . . . . A 58 GLY C . 36671 1 136 . 1 . 1 53 53 GLY CA C 13 44.70 0.050 . 1 . . . . A 58 GLY CA . 36671 1 137 . 1 . 1 54 54 GLN H H 1 7.65 0.010 . 1 . . . . A 59 GLN H . 36671 1 138 . 1 . 1 54 54 GLN C C 13 175.41 0.050 . 1 . . . . A 59 GLN C . 36671 1 139 . 1 . 1 54 54 GLN CA C 13 54.48 0.050 . 1 . . . . A 59 GLN CA . 36671 1 140 . 1 . 1 54 54 GLN CB C 13 28.22 0.050 . 1 . . . . A 59 GLN CB . 36671 1 141 . 1 . 1 54 54 GLN N N 15 117.72 0.030 . 1 . . . . A 59 GLN N . 36671 1 142 . 1 . 1 55 55 TYR H H 1 8.45 0.010 . 1 . . . . A 60 TYR H . 36671 1 143 . 1 . 1 55 55 TYR C C 13 175.56 0.050 . 1 . . . . A 60 TYR C . 36671 1 144 . 1 . 1 55 55 TYR CA C 13 58.00 0.050 . 1 . . . . A 60 TYR CA . 36671 1 145 . 1 . 1 55 55 TYR CB C 13 37.28 0.050 . 1 . . . . A 60 TYR CB . 36671 1 146 . 1 . 1 55 55 TYR N N 15 121.69 0.030 . 1 . . . . A 60 TYR N . 36671 1 147 . 1 . 1 56 56 GLN H H 1 9.45 0.010 . 1 . . . . A 61 GLN H . 36671 1 148 . 1 . 1 56 56 GLN C C 13 173.84 0.050 . 1 . . . . A 61 GLN C . 36671 1 149 . 1 . 1 56 56 GLN CA C 13 53.34 0.050 . 1 . . . . A 61 GLN CA . 36671 1 150 . 1 . 1 56 56 GLN CB C 13 32.32 0.050 . 1 . . . . A 61 GLN CB . 36671 1 151 . 1 . 1 56 56 GLN N N 15 117.83 0.030 . 1 . . . . A 61 GLN N . 36671 1 152 . 1 . 1 57 57 CYS H H 1 8.70 0.010 . 1 . . . . A 62 CYS H . 36671 1 153 . 1 . 1 57 57 CYS C C 13 171.29 0.050 . 1 . . . . A 62 CYS C . 36671 1 154 . 1 . 1 57 57 CYS CA C 13 56.03 0.050 . 1 . . . . A 62 CYS CA . 36671 1 155 . 1 . 1 57 57 CYS CB C 13 29.23 0.050 . 1 . . . . A 62 CYS CB . 36671 1 156 . 1 . 1 57 57 CYS N N 15 123.18 0.030 . 1 . . . . A 62 CYS N . 36671 1 157 . 1 . 1 58 58 LEU H H 1 8.81 0.010 . 1 . . . . A 63 LEU H . 36671 1 158 . 1 . 1 58 58 LEU C C 13 174.82 0.050 . 1 . . . . A 63 LEU C . 36671 1 159 . 1 . 1 58 58 LEU CA C 13 51.99 0.050 . 1 . . . . A 63 LEU CA . 36671 1 160 . 1 . 1 58 58 LEU CB C 13 42.03 0.050 . 1 . . . . A 63 LEU CB . 36671 1 161 . 1 . 1 58 58 LEU N N 15 124.93 0.030 . 1 . . . . A 63 LEU N . 36671 1 162 . 1 . 1 59 59 ALA H H 1 9.06 0.010 . 1 . . . . A 64 ALA H . 36671 1 163 . 1 . 1 59 59 ALA C C 13 174.43 0.050 . 1 . . . . A 64 ALA C . 36671 1 164 . 1 . 1 59 59 ALA CA C 13 49.30 0.050 . 1 . . . . A 64 ALA CA . 36671 1 165 . 1 . 1 59 59 ALA CB C 13 17.22 0.050 . 1 . . . . A 64 ALA CB . 36671 1 166 . 1 . 1 59 59 ALA N N 15 126.44 0.030 . 1 . . . . A 64 ALA N . 36671 1 167 . 1 . 1 60 60 GLU H H 1 9.11 0.010 . 1 . . . . A 65 GLU H . 36671 1 168 . 1 . 1 60 60 GLU C C 13 174.50 0.050 . 1 . . . . A 65 GLU C . 36671 1 169 . 1 . 1 60 60 GLU CA C 13 54.48 0.050 . 1 . . . . A 65 GLU CA . 36671 1 170 . 1 . 1 60 60 GLU CB C 13 29.51 0.050 . 1 . . . . A 65 GLU CB . 36671 1 171 . 1 . 1 60 60 GLU N N 15 125.97 0.030 . 1 . . . . A 65 GLU N . 36671 1 172 . 1 . 1 61 61 LEU H H 1 9.53 0.010 . 1 . . . . A 66 LEU H . 36671 1 173 . 1 . 1 61 61 LEU C C 13 177.68 0.050 . 1 . . . . A 66 LEU C . 36671 1 174 . 1 . 1 61 61 LEU CA C 13 52.10 0.050 . 1 . . . . A 66 LEU CA . 36671 1 175 . 1 . 1 61 61 LEU CB C 13 41.16 0.050 . 1 . . . . A 66 LEU CB . 36671 1 176 . 1 . 1 61 61 LEU N N 15 129.18 0.030 . 1 . . . . A 66 LEU N . 36671 1 177 . 1 . 1 62 62 SER H H 1 8.84 0.010 . 1 . . . . A 67 SER H . 36671 1 178 . 1 . 1 62 62 SER C C 13 176.64 0.050 . 1 . . . . A 67 SER C . 36671 1 179 . 1 . 1 62 62 SER CA C 13 57.17 0.050 . 1 . . . . A 67 SER CA . 36671 1 180 . 1 . 1 62 62 SER CB C 13 61.21 0.050 . 1 . . . . A 67 SER CB . 36671 1 181 . 1 . 1 62 62 SER N N 15 121.58 0.030 . 1 . . . . A 67 SER N . 36671 1 182 . 1 . 1 63 63 THR H H 1 7.45 0.010 . 1 . . . . A 68 THR H . 36671 1 183 . 1 . 1 63 63 THR C C 13 172.42 0.050 . 1 . . . . A 68 THR C . 36671 1 184 . 1 . 1 63 63 THR CA C 13 60.79 0.050 . 1 . . . . A 68 THR CA . 36671 1 185 . 1 . 1 63 63 THR CB C 13 68.87 0.050 . 1 . . . . A 68 THR CB . 36671 1 186 . 1 . 1 63 63 THR N N 15 111.52 0.030 . 1 . . . . A 68 THR N . 36671 1 187 . 1 . 1 64 64 SER H H 1 8.29 0.010 . 1 . . . . A 69 SER H . 36671 1 188 . 1 . 1 64 64 SER C C 13 172.78 0.050 . 1 . . . . A 69 SER C . 36671 1 189 . 1 . 1 64 64 SER CA C 13 53.24 0.050 . 1 . . . . A 69 SER CA . 36671 1 190 . 1 . 1 64 64 SER CB C 13 62.30 0.050 . 1 . . . . A 69 SER CB . 36671 1 191 . 1 . 1 64 64 SER N N 15 113.98 0.030 . 1 . . . . A 69 SER N . 36671 1 192 . 1 . 1 65 65 PRO C C 13 176.23 0.050 . 1 . . . . A 70 PRO C . 36671 1 193 . 1 . 1 65 65 PRO CA C 13 62.35 0.050 . 1 . . . . A 70 PRO CA . 36671 1 194 . 1 . 1 65 65 PRO CB C 13 32.97 0.050 . 1 . . . . A 70 PRO CB . 36671 1 195 . 1 . 1 66 66 ILE H H 1 8.36 0.010 . 1 . . . . A 71 ILE H . 36671 1 196 . 1 . 1 66 66 ILE C C 13 174.70 0.050 . 1 . . . . A 71 ILE C . 36671 1 197 . 1 . 1 66 66 ILE CA C 13 62.55 0.050 . 1 . . . . A 71 ILE CA . 36671 1 198 . 1 . 1 66 66 ILE CB C 13 36.42 0.050 . 1 . . . . A 71 ILE CB . 36671 1 199 . 1 . 1 66 66 ILE N N 15 125.22 0.030 . 1 . . . . A 71 ILE N . 36671 1 200 . 1 . 1 67 67 THR H H 1 7.67 0.010 . 1 . . . . A 72 THR H . 36671 1 201 . 1 . 1 67 67 THR C C 13 171.72 0.050 . 1 . . . . A 72 THR C . 36671 1 202 . 1 . 1 67 67 THR CA C 13 61.10 0.050 . 1 . . . . A 72 THR CA . 36671 1 203 . 1 . 1 67 67 THR CB C 13 70.11 0.050 . 1 . . . . A 72 THR CB . 36671 1 204 . 1 . 1 67 67 THR N N 15 122.11 0.030 . 1 . . . . A 72 THR N . 36671 1 205 . 1 . 1 68 68 VAL H H 1 9.30 0.010 . 1 . . . . A 73 VAL H . 36671 1 206 . 1 . 1 68 68 VAL C C 13 173.76 0.050 . 1 . . . . A 73 VAL C . 36671 1 207 . 1 . 1 68 68 VAL CA C 13 58.93 0.050 . 1 . . . . A 73 VAL CA . 36671 1 208 . 1 . 1 68 68 VAL CB C 13 31.89 0.050 . 1 . . . . A 73 VAL CB . 36671 1 209 . 1 . 1 68 68 VAL N N 15 124.15 0.030 . 1 . . . . A 73 VAL N . 36671 1 210 . 1 . 1 69 69 CYS H H 1 8.91 0.010 . 1 . . . . A 74 CYS H . 36671 1 211 . 1 . 1 69 69 CYS C C 13 173.13 0.050 . 1 . . . . A 74 CYS C . 36671 1 212 . 1 . 1 69 69 CYS CA C 13 56.17 0.050 . 1 . . . . A 74 CYS CA . 36671 1 213 . 1 . 1 69 69 CYS CB C 13 28.22 0.050 . 1 . . . . A 74 CYS CB . 36671 1 214 . 1 . 1 69 69 CYS N N 15 122.68 0.030 . 1 . . . . A 74 CYS N . 36671 1 215 . 1 . 1 70 70 HIS H H 1 8.40 0.010 . 1 . . . . A 75 HIS H . 36671 1 216 . 1 . 1 70 70 HIS C C 13 174.31 0.050 . 1 . . . . A 75 HIS C . 36671 1 217 . 1 . 1 70 70 HIS CA C 13 56.24 0.050 . 1 . . . . A 75 HIS CA . 36671 1 218 . 1 . 1 70 70 HIS CB C 13 32.53 0.050 . 1 . . . . A 75 HIS CB . 36671 1 219 . 1 . 1 70 70 HIS N N 15 126.61 0.030 . 1 . . . . A 75 HIS N . 36671 1 220 . 1 . 1 71 71 GLY H H 1 8.52 0.010 . 1 . . . . A 76 GLY H . 36671 1 221 . 1 . 1 71 71 GLY C C 13 170.50 0.050 . 1 . . . . A 76 GLY C . 36671 1 222 . 1 . 1 71 71 GLY CA C 13 43.15 0.050 . 1 . . . . A 76 GLY CA . 36671 1 223 . 1 . 1 71 71 GLY N N 15 115.58 0.030 . 1 . . . . A 76 GLY N . 36671 1 224 . 1 . 1 72 72 SER H H 1 9.45 0.010 . 1 . . . . A 77 SER H . 36671 1 225 . 1 . 1 72 72 SER C C 13 173.44 0.050 . 1 . . . . A 77 SER C . 36671 1 226 . 1 . 1 72 72 SER CA C 13 56.03 0.050 . 1 . . . . A 77 SER CA . 36671 1 227 . 1 . 1 72 72 SER CB C 13 65.54 0.050 . 1 . . . . A 77 SER CB . 36671 1 228 . 1 . 1 72 72 SER N N 15 113.70 0.030 . 1 . . . . A 77 SER N . 36671 1 229 . 1 . 1 73 73 GLY H H 1 8.64 0.010 . 1 . . . . A 78 GLY H . 36671 1 230 . 1 . 1 73 73 GLY C C 13 172.27 0.050 . 1 . . . . A 78 GLY C . 36671 1 231 . 1 . 1 73 73 GLY CA C 13 44.92 0.050 . 1 . . . . A 78 GLY CA . 36671 1 232 . 1 . 1 73 73 GLY N N 15 105.84 0.030 . 1 . . . . A 78 GLY N . 36671 1 233 . 1 . 1 74 74 ILE H H 1 8.62 0.010 . 1 . . . . A 79 ILE H . 36671 1 234 . 1 . 1 74 74 ILE C C 13 174.09 0.050 . 1 . . . . A 79 ILE C . 36671 1 235 . 1 . 1 74 74 ILE CA C 13 61.90 0.050 . 1 . . . . A 79 ILE CA . 36671 1 236 . 1 . 1 74 74 ILE CB C 13 36.77 0.050 . 1 . . . . A 79 ILE CB . 36671 1 237 . 1 . 1 74 74 ILE N N 15 114.41 0.030 . 1 . . . . A 79 ILE N . 36671 1 238 . 1 . 1 75 75 SER H H 1 7.56 0.010 . 1 . . . . A 80 SER H . 36671 1 239 . 1 . 1 75 75 SER C C 13 173.60 0.050 . 1 . . . . A 80 SER C . 36671 1 240 . 1 . 1 75 75 SER CA C 13 54.89 0.050 . 1 . . . . A 80 SER CA . 36671 1 241 . 1 . 1 75 75 SER CB C 13 65.11 0.050 . 1 . . . . A 80 SER CB . 36671 1 242 . 1 . 1 75 75 SER N N 15 113.34 0.030 . 1 . . . . A 80 SER N . 36671 1 243 . 1 . 1 78 78 ASN H H 1 7.84 0.010 . 1 . . . . A 83 ASN H . 36671 1 244 . 1 . 1 78 78 ASN C C 13 177.13 0.050 . 1 . . . . A 83 ASN C . 36671 1 245 . 1 . 1 78 78 ASN CA C 13 55.13 0.050 . 1 . . . . A 83 ASN CA . 36671 1 246 . 1 . 1 78 78 ASN CB C 13 36.85 0.050 . 1 . . . . A 83 ASN CB . 36671 1 247 . 1 . 1 78 78 ASN N N 15 121.79 0.030 . 1 . . . . A 83 ASN N . 36671 1 248 . 1 . 1 79 79 ALA H H 1 8.07 0.010 . 1 . . . . A 84 ALA H . 36671 1 249 . 1 . 1 79 79 ALA C C 13 177.99 0.050 . 1 . . . . A 84 ALA C . 36671 1 250 . 1 . 1 79 79 ALA CA C 13 54.38 0.050 . 1 . . . . A 84 ALA CA . 36671 1 251 . 1 . 1 79 79 ALA CB C 13 15.92 0.050 . 1 . . . . A 84 ALA CB . 36671 1 252 . 1 . 1 79 79 ALA N N 15 124.15 0.030 . 1 . . . . A 84 ALA N . 36671 1 253 . 1 . 1 80 80 GLN H H 1 7.51 0.010 . 1 . . . . A 85 GLN H . 36671 1 254 . 1 . 1 80 80 GLN C C 13 177.29 0.050 . 1 . . . . A 85 GLN C . 36671 1 255 . 1 . 1 80 80 GLN CA C 13 58.21 0.050 . 1 . . . . A 85 GLN CA . 36671 1 256 . 1 . 1 80 80 GLN CB C 13 25.65 0.050 . 1 . . . . A 85 GLN CB . 36671 1 257 . 1 . 1 80 80 GLN N N 15 118.80 0.030 . 1 . . . . A 85 GLN N . 36671 1 258 . 1 . 1 81 81 SER H H 1 7.78 0.010 . 1 . . . . A 86 SER H . 36671 1 259 . 1 . 1 81 81 SER C C 13 175.52 0.050 . 1 . . . . A 86 SER C . 36671 1 260 . 1 . 1 81 81 SER CA C 13 61.00 0.050 . 1 . . . . A 86 SER CA . 36671 1 261 . 1 . 1 81 81 SER CB C 13 61.87 0.050 . 1 . . . . A 86 SER CB . 36671 1 262 . 1 . 1 81 81 SER N N 15 113.44 0.030 . 1 . . . . A 86 SER N . 36671 1 263 . 1 . 1 82 82 ASP H H 1 8.12 0.010 . 1 . . . . A 87 ASP H . 36671 1 264 . 1 . 1 82 82 ASP C C 13 177.07 0.050 . 1 . . . . A 87 ASP C . 36671 1 265 . 1 . 1 82 82 ASP CA C 13 57.07 0.050 . 1 . . . . A 87 ASP CA . 36671 1 266 . 1 . 1 82 82 ASP CB C 13 42.03 0.050 . 1 . . . . A 87 ASP CB . 36671 1 267 . 1 . 1 82 82 ASP N N 15 121.58 0.030 . 1 . . . . A 87 ASP N . 36671 1 268 . 1 . 1 83 83 ALA H H 1 8.17 0.010 . 1 . . . . A 88 ALA H . 36671 1 269 . 1 . 1 83 83 ALA C C 13 178.82 0.050 . 1 . . . . A 88 ALA C . 36671 1 270 . 1 . 1 83 83 ALA CA C 13 54.74 0.050 . 1 . . . . A 88 ALA CA . 36671 1 271 . 1 . 1 83 83 ALA CB C 13 16.01 0.050 . 1 . . . . A 88 ALA CB . 36671 1 272 . 1 . 1 83 83 ALA N N 15 121.90 0.030 . 1 . . . . A 88 ALA N . 36671 1 273 . 1 . 1 84 84 ALA H H 1 8.17 0.010 . 1 . . . . A 89 ALA H . 36671 1 274 . 1 . 1 84 84 ALA C C 13 178.85 0.050 . 1 . . . . A 89 ALA C . 36671 1 275 . 1 . 1 84 84 ALA CA C 13 54.10 0.050 . 1 . . . . A 89 ALA CA . 36671 1 276 . 1 . 1 84 84 ALA CB C 13 16.51 0.050 . 1 . . . . A 89 ALA CB . 36671 1 277 . 1 . 1 84 84 ALA N N 15 119.44 0.030 . 1 . . . . A 89 ALA N . 36671 1 278 . 1 . 1 85 85 HIS H H 1 8.50 0.010 . 1 . . . . A 90 HIS H . 36671 1 279 . 1 . 1 85 85 HIS C C 13 176.51 0.050 . 1 . . . . A 90 HIS C . 36671 1 280 . 1 . 1 85 85 HIS CA C 13 57.51 0.050 . 1 . . . . A 90 HIS CA . 36671 1 281 . 1 . 1 85 85 HIS CB C 13 26.97 0.050 . 1 . . . . A 90 HIS CB . 36671 1 282 . 1 . 1 85 85 HIS N N 15 118.58 0.030 . 1 . . . . A 90 HIS N . 36671 1 283 . 1 . 1 86 86 ASN H H 1 8.36 0.010 . 1 . . . . A 91 ASN H . 36671 1 284 . 1 . 1 86 86 ASN C C 13 176.34 0.050 . 1 . . . . A 91 ASN C . 36671 1 285 . 1 . 1 86 86 ASN CA C 13 55.03 0.050 . 1 . . . . A 91 ASN CA . 36671 1 286 . 1 . 1 86 86 ASN CB C 13 35.50 0.050 . 1 . . . . A 91 ASN CB . 36671 1 287 . 1 . 1 86 86 ASN N N 15 119.65 0.030 . 1 . . . . A 91 ASN N . 36671 1 288 . 1 . 1 87 87 ALA H H 1 8.37 0.010 . 1 . . . . A 92 ALA H . 36671 1 289 . 1 . 1 87 87 ALA C C 13 178.90 0.050 . 1 . . . . A 92 ALA C . 36671 1 290 . 1 . 1 87 87 ALA CA C 13 54.69 0.050 . 1 . . . . A 92 ALA CA . 36671 1 291 . 1 . 1 87 87 ALA CB C 13 17.65 0.050 . 1 . . . . A 92 ALA CB . 36671 1 292 . 1 . 1 87 87 ALA N N 15 123.18 0.030 . 1 . . . . A 92 ALA N . 36671 1 293 . 1 . 1 88 88 LEU H H 1 8.39 0.010 . 1 . . . . A 93 LEU H . 36671 1 294 . 1 . 1 88 88 LEU C C 13 180.07 0.050 . 1 . . . . A 93 LEU C . 36671 1 295 . 1 . 1 88 88 LEU CA C 13 57.49 0.050 . 1 . . . . A 93 LEU CA . 36671 1 296 . 1 . 1 88 88 LEU CB C 13 40.51 0.050 . 1 . . . . A 93 LEU CB . 36671 1 297 . 1 . 1 88 88 LEU N N 15 118.94 0.030 . 1 . . . . A 93 LEU N . 36671 1 298 . 1 . 1 89 89 GLN H H 1 8.01 0.010 . 1 . . . . A 94 GLN H . 36671 1 299 . 1 . 1 89 89 GLN C C 13 178.03 0.050 . 1 . . . . A 94 GLN C . 36671 1 300 . 1 . 1 89 89 GLN CA C 13 57.86 0.050 . 1 . . . . A 94 GLN CA . 36671 1 301 . 1 . 1 89 89 GLN CB C 13 26.71 0.050 . 1 . . . . A 94 GLN CB . 36671 1 302 . 1 . 1 89 89 GLN N N 15 118.26 0.030 . 1 . . . . A 94 GLN N . 36671 1 303 . 1 . 1 90 90 TYR H H 1 8.48 0.010 . 1 . . . . A 95 TYR H . 36671 1 304 . 1 . 1 90 90 TYR C C 13 176.19 0.050 . 1 . . . . A 95 TYR C . 36671 1 305 . 1 . 1 90 90 TYR CA C 13 60.69 0.050 . 1 . . . . A 95 TYR CA . 36671 1 306 . 1 . 1 90 90 TYR CB C 13 36.99 0.050 . 1 . . . . A 95 TYR CB . 36671 1 307 . 1 . 1 90 90 TYR N N 15 121.90 0.030 . 1 . . . . A 95 TYR N . 36671 1 308 . 1 . 1 92 92 LYS C C 13 178.07 0.050 . 1 . . . . A 97 LYS C . 36671 1 309 . 1 . 1 92 92 LYS CA C 13 58.52 0.050 . 1 . . . . A 97 LYS CA . 36671 1 310 . 1 . 1 92 92 LYS CB C 13 30.60 0.050 . 1 . . . . A 97 LYS CB . 36671 1 311 . 1 . 1 93 93 ILE H H 1 7.35 0.010 . 1 . . . . A 98 ILE H . 36671 1 312 . 1 . 1 93 93 ILE C C 13 179.01 0.050 . 1 . . . . A 98 ILE C . 36671 1 313 . 1 . 1 93 93 ILE CA C 13 63.59 0.050 . 1 . . . . A 98 ILE CA . 36671 1 314 . 1 . 1 93 93 ILE CB C 13 36.44 0.050 . 1 . . . . A 98 ILE CB . 36671 1 315 . 1 . 1 93 93 ILE N N 15 120.43 0.030 . 1 . . . . A 98 ILE N . 36671 1 316 . 1 . 1 94 94 ILE H H 1 8.08 0.010 . 1 . . . . A 99 ILE H . 36671 1 317 . 1 . 1 94 94 ILE C C 13 178.15 0.050 . 1 . . . . A 99 ILE C . 36671 1 318 . 1 . 1 94 94 ILE CA C 13 62.87 0.050 . 1 . . . . A 99 ILE CA . 36671 1 319 . 1 . 1 94 94 ILE CB C 13 35.12 0.050 . 1 . . . . A 99 ILE CB . 36671 1 320 . 1 . 1 94 94 ILE N N 15 116.87 0.030 . 1 . . . . A 99 ILE N . 36671 1 stop_ save_