data_36759 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36759 _Entry.Title ; Encounter complex structure of E2N and Ubiquitin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-09 _Entry.Accession_date 2025-05-09 _Entry.Last_release_date 2026-02-08 _Entry.Original_release_date 2026-02-08 _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 Z. Gong Z. . . . 36759 2 M. Liu M. L. . . 36759 3 X. Zhang X. . . . 36759 4 L. He L. C. . . 36759 5 Q. Zhao Q. . . . 36759 6 L. Zhang L. H. . . 36759 7 B. Zhang B. R. . . 36759 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Enzyme . 36759 'PROTEIN BINDING' . 36759 'encounter complex' . 36759 ubiquitin . 36759 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36759 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 36759 '15N chemical shifts' 70 36759 '1H chemical shifts' 70 36759 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 . . 2026-02-12 . original BMRB . 36759 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9UV6 'BMRB Entry Tracking System' 36759 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36759 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; X-GAME: An Integrative Framework for Deciphering Protein-Protein Interactions in Living Cells ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Z. Gong Z. . . . 36759 1 2 B. Zhang B. R. . . 36759 1 3 X. He X. F. . . 36759 1 4 B. Zhong B. W. . . 36759 1 5 Y. Zhu Y. L. . . 36759 1 6 K. Tan K. N. . . 36759 1 7 Z. Liu Z. . . . 36759 1 8 J. Chen J. . . . 36759 1 9 Z. Liang Z. . . . 36759 1 10 X. Zhang X. . . . 36759 1 11 L. He L. C. . . 36759 1 12 Y. Zhang Y. K. . . 36759 1 13 L. Zhang L. H. . . 36759 1 14 M. Liu M. L. . . 36759 1 15 Q. Zhao Q. . . . 36759 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36759 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-conjugating enzyme E2 N (E.C.2.3.2.23), Ubiquitin' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _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 'free and other bound' _Assembly.Molecular_mass 25990.669 _Assembly.Enzyme_commission_number 2.3.2.23 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . ; Bendless-like ubiquitin-conjugating enzyme,E2 ubiquitin-conjugating enzyme N,Ubc13,UbcH13,Ubiquitin carrier protein N,Ubiquitin-protein ligase N ; . 36759 1 2 entity_2 2 $entity_2 B B yes . . . . 'Donor Ub' . 36759 1 3 entity_A1EQF 3 $entity_A1EQF C A yes . . . . . . 36759 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent sing . 1 entity_1 1 CYS 121 121 SG . 3 entity_A1EQF 3 A1EQF 1 1 C2 . . A 123 CYS SG . . A 201 A1EQF C2 36759 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 121 121 HG A 123 CYS HG 36759 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 GLY 1 . A 3 GLY . start no . 36759 1 . 1 1 10 THR 10 . A 12 THR . middle . . 36759 1 . 1 1 100 ARG 100 . A 102 ARG . middle . . 36759 1 . 1 1 101 THR 101 . A 103 THR . middle . . 36759 1 . 1 1 102 VAL 102 . A 104 VAL . middle . . 36759 1 . 1 1 103 LEU 103 . A 105 LEU . middle . . 36759 1 . 1 1 104 LEU 104 . A 106 LEU . middle . . 36759 1 . 1 1 105 SER 105 . A 107 SER . middle . . 36759 1 . 1 1 106 ILE 106 . A 108 ILE . middle . . 36759 1 . 1 1 107 GLN 107 . A 109 GLN . middle . . 36759 1 . 1 1 108 ALA 108 . A 110 ALA . middle . . 36759 1 . 1 1 109 LEU 109 . A 111 LEU . middle . . 36759 1 . 1 1 11 GLN 11 . A 13 GLN . middle . . 36759 1 . 1 1 110 LEU 110 . A 112 LEU . middle . . 36759 1 . 1 1 111 SER 111 . A 113 SER . middle . . 36759 1 . 1 1 112 ALA 112 . A 114 ALA . middle . . 36759 1 . 1 1 113 PRO 113 . A 115 PRO . middle no . 36759 1 . 1 1 114 ASN 114 . A 116 ASN . middle . . 36759 1 . 1 1 115 PRO 115 . A 117 PRO . middle no . 36759 1 . 1 1 116 ASP 116 . A 118 ASP . middle . . 36759 1 . 1 1 117 ASP 117 . A 119 ASP . middle . . 36759 1 . 1 1 118 PRO 118 . A 120 PRO . middle no . 36759 1 . 1 1 119 LEU 119 . A 121 LEU . middle . . 36759 1 . 1 1 12 ARG 12 . A 14 ARG . middle . . 36759 1 . 1 1 120 ALA 120 . A 122 ALA . middle . . 36759 1 . 1 1 121 CYS 121 . A 123 CYS . middle . . 36759 1 . 1 1 122 ASP 122 . A 124 ASP . middle . . 36759 1 . 1 1 123 VAL 123 . A 125 VAL . middle . . 36759 1 . 1 1 124 ALA 124 . A 126 ALA . middle . . 36759 1 . 1 1 125 GLU 125 . A 127 GLU . middle . . 36759 1 . 1 1 126 GLN 126 . A 128 GLN . middle . . 36759 1 . 1 1 127 TRP 127 . A 129 TRP . middle . . 36759 1 . 1 1 128 LYS 128 . A 130 LYS . middle . . 36759 1 . 1 1 129 THR 129 . A 131 THR . middle . . 36759 1 . 1 1 13 LEU 13 . A 15 LEU . middle . . 36759 1 . 1 1 130 ASN 130 . A 132 ASN . middle . . 36759 1 . 1 1 131 GLU 131 . A 133 GLU . middle . . 36759 1 . 1 1 132 ALA 132 . A 134 ALA . middle . . 36759 1 . 1 1 133 GLN 133 . A 135 GLN . middle . . 36759 1 . 1 1 134 ALA 134 . A 136 ALA . middle . . 36759 1 . 1 1 135 ILE 135 . A 137 ILE . middle . . 36759 1 . 1 1 136 GLU 136 . A 138 GLU . middle . . 36759 1 . 1 1 137 THR 137 . A 139 THR . middle . . 36759 1 . 1 1 138 ALA 138 . A 140 ALA . middle . . 36759 1 . 1 1 139 ARG 139 . A 141 ARG . middle . . 36759 1 . 1 1 14 LEU 14 . A 16 LEU . middle . . 36759 1 . 1 1 140 ALA 140 . A 142 ALA . middle . . 36759 1 . 1 1 141 TRP 141 . A 143 TRP . middle . . 36759 1 . 1 1 142 THR 142 . A 144 THR . middle . . 36759 1 . 1 1 143 ARG 143 . A 145 ARG . middle . . 36759 1 . 1 1 144 LEU 144 . A 146 LEU . middle . . 36759 1 . 1 1 145 TYR 145 . A 147 TYR . middle . . 36759 1 . 1 1 146 ALA 146 . A 148 ALA . middle . . 36759 1 . 1 1 147 MET 147 . A 149 MET . middle . . 36759 1 . 1 1 148 ASN 148 . A 150 ASN . middle . . 36759 1 . 1 1 149 ASN 149 . A 151 ASN . middle . . 36759 1 . 1 1 15 ALA 15 . A 17 ALA . middle . . 36759 1 . 1 1 150 ILE 150 . A 152 ILE . end . . 36759 1 . 1 1 16 GLU 16 . A 18 GLU . middle . . 36759 1 . 1 1 17 PRO 17 . A 19 PRO . middle no . 36759 1 . 1 1 18 VAL 18 . A 20 VAL . middle . . 36759 1 . 1 1 19 PRO 19 . A 21 PRO . middle no . 36759 1 . 1 1 2 LEU 2 . A 4 LEU . middle . . 36759 1 . 1 1 20 GLY 20 . A 22 GLY . middle no . 36759 1 . 1 1 21 ILE 21 . A 23 ILE . middle . . 36759 1 . 1 1 22 LYS 22 . A 24 LYS . middle . . 36759 1 . 1 1 23 ALA 23 . A 25 ALA . middle . . 36759 1 . 1 1 24 GLU 24 . A 26 GLU . middle . . 36759 1 . 1 1 25 PRO 25 . A 27 PRO . middle no . 36759 1 . 1 1 26 ASP 26 . A 28 ASP . middle . . 36759 1 . 1 1 27 GLU 27 . A 29 GLU . middle . . 36759 1 . 1 1 28 SER 28 . A 30 SER . middle . . 36759 1 . 1 1 29 ASN 29 . A 31 ASN . middle . . 36759 1 . 1 1 3 PRO 3 . A 5 PRO . middle no . 36759 1 . 1 1 30 ALA 30 . A 32 ALA . middle . . 36759 1 . 1 1 31 ARG 31 . A 33 ARG . middle . . 36759 1 . 1 1 32 TYR 32 . A 34 TYR . middle . . 36759 1 . 1 1 33 PHE 33 . A 35 PHE . middle . . 36759 1 . 1 1 34 HIS 34 . A 36 HIS . middle . . 36759 1 . 1 1 35 VAL 35 . A 37 VAL . middle . . 36759 1 . 1 1 36 VAL 36 . A 38 VAL . middle . . 36759 1 . 1 1 37 ILE 37 . A 39 ILE . middle . . 36759 1 . 1 1 38 ALA 38 . A 40 ALA . middle . . 36759 1 . 1 1 39 GLY 39 . A 41 GLY . middle no . 36759 1 . 1 1 4 ARG 4 . A 6 ARG . middle . . 36759 1 . 1 1 40 PRO 40 . A 42 PRO . middle no . 36759 1 . 1 1 41 GLN 41 . A 43 GLN . middle . . 36759 1 . 1 1 42 ASP 42 . A 44 ASP . middle . . 36759 1 . 1 1 43 SER 43 . A 45 SER . middle . . 36759 1 . 1 1 44 PRO 44 . A 46 PRO . middle no . 36759 1 . 1 1 45 PHE 45 . A 47 PHE . middle . . 36759 1 . 1 1 46 GLU 46 . A 48 GLU . middle . . 36759 1 . 1 1 47 GLY 47 . A 49 GLY . middle no . 36759 1 . 1 1 48 GLY 48 . A 50 GLY . middle no . 36759 1 . 1 1 49 THR 49 . A 51 THR . middle . . 36759 1 . 1 1 5 ARG 5 . A 7 ARG . middle . . 36759 1 . 1 1 50 PHE 50 . A 52 PHE . middle . . 36759 1 . 1 1 51 LYS 51 . A 53 LYS . middle . . 36759 1 . 1 1 52 LEU 52 . A 54 LEU . middle . . 36759 1 . 1 1 53 GLU 53 . A 55 GLU . middle . . 36759 1 . 1 1 54 LEU 54 . A 56 LEU . middle . . 36759 1 . 1 1 55 PHE 55 . A 57 PHE . middle . . 36759 1 . 1 1 56 LEU 56 . A 58 LEU . middle . . 36759 1 . 1 1 57 PRO 57 . A 59 PRO . middle no . 36759 1 . 1 1 58 GLU 58 . A 60 GLU . middle . . 36759 1 . 1 1 59 GLU 59 . A 61 GLU . middle . . 36759 1 . 1 1 6 ILE 6 . A 8 ILE . middle . . 36759 1 . 1 1 60 TYR 60 . A 62 TYR . middle . . 36759 1 . 1 1 61 PRO 61 . A 63 PRO . middle yes . 36759 1 . 1 1 62 MET 62 . A 64 MET . middle . . 36759 1 . 1 1 63 ALA 63 . A 65 ALA . middle . . 36759 1 . 1 1 64 ALA 64 . A 66 ALA . middle . . 36759 1 . 1 1 65 PRO 65 . A 67 PRO . middle no . 36759 1 . 1 1 66 LYS 66 . A 68 LYS . middle . . 36759 1 . 1 1 67 VAL 67 . A 69 VAL . middle . . 36759 1 . 1 1 68 ARG 68 . A 70 ARG . middle . . 36759 1 . 1 1 69 PHE 69 . A 71 PHE . middle . . 36759 1 . 1 1 7 ILE 7 . A 9 ILE . middle . . 36759 1 . 1 1 70 MET 70 . A 72 MET . middle . . 36759 1 . 1 1 71 THR 71 . A 73 THR . middle . . 36759 1 . 1 1 72 LYS 72 . A 74 LYS . middle . . 36759 1 . 1 1 73 ILE 73 . A 75 ILE . middle . . 36759 1 . 1 1 74 TYR 74 . A 76 TYR . middle . . 36759 1 . 1 1 75 HIS 75 . A 77 HIS . middle . . 36759 1 . 1 1 76 PRO 76 . A 78 PRO . middle no . 36759 1 . 1 1 77 ASN 77 . A 79 ASN . middle . . 36759 1 . 1 1 78 VAL 78 . A 80 VAL . middle . . 36759 1 . 1 1 79 ASP 79 . A 81 ASP . middle . . 36759 1 . 1 1 8 LYS 8 . A 10 LYS . middle . . 36759 1 . 1 1 80 LYS 80 . A 82 LYS . middle . . 36759 1 . 1 1 81 LEU 81 . A 83 LEU . middle . . 36759 1 . 1 1 82 GLY 82 . A 84 GLY . middle no . 36759 1 . 1 1 83 ARG 83 . A 85 ARG . middle . . 36759 1 . 1 1 84 ILE 84 . A 86 ILE . middle . . 36759 1 . 1 1 85 CYS 85 . A 87 CYS . middle . . 36759 1 . 1 1 86 LEU 86 . A 88 LEU . middle . . 36759 1 . 1 1 87 ASP 87 . A 89 ASP . middle . . 36759 1 . 1 1 88 ILE 88 . A 90 ILE . middle . . 36759 1 . 1 1 89 LEU 89 . A 91 LEU . middle . . 36759 1 . 1 1 9 GLU 9 . A 11 GLU . middle . . 36759 1 . 1 1 90 LYS 90 . A 92 LYS . middle . . 36759 1 . 1 1 91 ASP 91 . A 93 ASP . middle . . 36759 1 . 1 1 92 LYS 92 . A 94 LYS . middle . . 36759 1 . 1 1 93 TRP 93 . A 95 TRP . middle . . 36759 1 . 1 1 94 SER 94 . A 96 SER . middle . . 36759 1 . 1 1 95 PRO 95 . A 97 PRO . middle no . 36759 1 . 1 1 96 ALA 96 . A 98 ALA . middle . . 36759 1 . 1 1 97 LEU 97 . A 99 LEU . middle . . 36759 1 . 1 1 98 GLN 98 . A 100 GLN . middle . . 36759 1 . 1 1 99 ILE 99 . A 101 ILE . middle . . 36759 1 . 2 2 1 MET 1 . B 1 MET . start . . 36759 1 . 2 2 10 GLY 10 . B 10 GLY . middle no . 36759 1 . 2 2 11 LYS 11 . B 11 LYS . middle . . 36759 1 . 2 2 12 THR 12 . B 12 THR . middle . . 36759 1 . 2 2 13 ILE 13 . B 13 ILE . middle . . 36759 1 . 2 2 14 THR 14 . B 14 THR . middle . . 36759 1 . 2 2 15 LEU 15 . B 15 LEU . middle . . 36759 1 . 2 2 16 GLU 16 . B 16 GLU . middle . . 36759 1 . 2 2 17 VAL 17 . B 17 VAL . middle . . 36759 1 . 2 2 18 GLU 18 . B 18 GLU . middle . . 36759 1 . 2 2 19 PRO 19 . B 19 PRO . middle no . 36759 1 . 2 2 2 GLN 2 . B 2 GLN . middle . . 36759 1 . 2 2 20 SER 20 . B 20 SER . middle . . 36759 1 . 2 2 21 ASP 21 . B 21 ASP . middle . . 36759 1 . 2 2 22 THR 22 . B 22 THR . middle . . 36759 1 . 2 2 23 ILE 23 . B 23 ILE . middle . . 36759 1 . 2 2 24 GLU 24 . B 24 GLU . middle . . 36759 1 . 2 2 25 ASN 25 . B 25 ASN . middle . . 36759 1 . 2 2 26 VAL 26 . B 26 VAL . middle . . 36759 1 . 2 2 27 LYS 27 . B 27 LYS . middle . . 36759 1 . 2 2 28 ALA 28 . B 28 ALA . middle . . 36759 1 . 2 2 29 LYS 29 . B 29 LYS . middle . . 36759 1 . 2 2 3 ILE 3 . B 3 ILE . middle . . 36759 1 . 2 2 30 ILE 30 . B 30 ILE . middle . . 36759 1 . 2 2 31 GLN 31 . B 31 GLN . middle . . 36759 1 . 2 2 32 ASP 32 . B 32 ASP . middle . . 36759 1 . 2 2 33 LYS 33 . B 33 LYS . middle . . 36759 1 . 2 2 34 GLU 34 . B 34 GLU . middle . . 36759 1 . 2 2 35 GLY 35 . B 35 GLY . middle no . 36759 1 . 2 2 36 ILE 36 . B 36 ILE . middle . . 36759 1 . 2 2 37 PRO 37 . B 37 PRO . middle no . 36759 1 . 2 2 38 PRO 38 . B 38 PRO . middle no . 36759 1 . 2 2 39 ASP 39 . B 39 ASP . middle . . 36759 1 . 2 2 4 PHE 4 . B 4 PHE . middle . . 36759 1 . 2 2 40 GLN 40 . B 40 GLN . middle . . 36759 1 . 2 2 41 GLN 41 . B 41 GLN . middle . . 36759 1 . 2 2 42 ARG 42 . B 42 ARG . middle . . 36759 1 . 2 2 43 LEU 43 . B 43 LEU . middle . . 36759 1 . 2 2 44 ILE 44 . B 44 ILE . middle . . 36759 1 . 2 2 45 PHE 45 . B 45 PHE . middle . . 36759 1 . 2 2 46 ALA 46 . B 46 ALA . middle . . 36759 1 . 2 2 47 GLY 47 . B 47 GLY . middle no . 36759 1 . 2 2 48 LYS 48 . B 48 LYS . middle . . 36759 1 . 2 2 49 GLN 49 . B 49 GLN . middle . . 36759 1 . 2 2 5 VAL 5 . B 5 VAL . middle . . 36759 1 . 2 2 50 LEU 50 . B 50 LEU . middle . . 36759 1 . 2 2 51 GLU 51 . B 51 GLU . middle . . 36759 1 . 2 2 52 ASP 52 . B 52 ASP . middle . . 36759 1 . 2 2 53 GLY 53 . B 53 GLY . middle no . 36759 1 . 2 2 54 ARG 54 . B 54 ARG . middle . . 36759 1 . 2 2 55 THR 55 . B 55 THR . middle . . 36759 1 . 2 2 56 LEU 56 . B 56 LEU . middle . . 36759 1 . 2 2 57 SER 57 . B 57 SER . middle . . 36759 1 . 2 2 58 ASP 58 . B 58 ASP . middle . . 36759 1 . 2 2 59 TYR 59 . B 59 TYR . middle . . 36759 1 . 2 2 6 LYS 6 . B 6 LYS . middle . . 36759 1 . 2 2 60 ASN 60 . B 60 ASN . middle . . 36759 1 . 2 2 61 ILE 61 . B 61 ILE . middle . . 36759 1 . 2 2 62 GLN 62 . B 62 GLN . middle . . 36759 1 . 2 2 63 LYS 63 . B 63 LYS . middle . . 36759 1 . 2 2 64 GLU 64 . B 64 GLU . middle . . 36759 1 . 2 2 65 SER 65 . B 65 SER . middle . . 36759 1 . 2 2 66 THR 66 . B 66 THR . middle . . 36759 1 . 2 2 67 LEU 67 . B 67 LEU . middle . . 36759 1 . 2 2 68 HIS 68 . B 68 HIS . middle . . 36759 1 . 2 2 69 LEU 69 . B 69 LEU . middle . . 36759 1 . 2 2 7 THR 7 . B 7 THR . middle . . 36759 1 . 2 2 70 VAL 70 . B 70 VAL . middle . . 36759 1 . 2 2 71 LEU 71 . B 71 LEU . middle . . 36759 1 . 2 2 72 ARG 72 . B 72 ARG . middle . . 36759 1 . 2 2 73 LEU 73 . B 73 LEU . middle . . 36759 1 . 2 2 74 ARG 74 . B 74 ARG . middle . . 36759 1 . 2 2 75 GLY 75 . B 75 GLY . middle no . 36759 1 . 2 2 76 GLY 76 . B 76 GLY . end no . 36759 1 . 2 2 8 LEU 8 . B 8 LEU . middle . . 36759 1 . 2 2 9 THR 9 . B 9 THR . middle . . 36759 1 . 3 3 1 A1EQF 1 . A 201 A1EQF . . . . 36759 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36759 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-conjugating enzyme E2 N' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GLPRRIIKETQRLLAEPVPG IKAEPDESNARYFHVVIAGP QDSPFEGGTFKLELFLPEEY PMAAPKVRFMTKIYHPNVDK LGRICLDILKDKWSPALQIR TVLLSIQALLSAPNPDDPLA CDVAEQWKTNEAQAIETARA WTRLYAMNNI ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation N123C _Entity.EC_number 2.3.2.23 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16944.533 _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 ; Bendless-like ubiquitin-conjugating enzyme,E2 ubiquitin-conjugating enzyme N,Ubc13,UbcH13,Ubiquitin carrier protein N,Ubiquitin-protein ligase N ; common 36759 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 3 GLY . 36759 1 2 4 LEU . 36759 1 3 5 PRO . 36759 1 4 6 ARG . 36759 1 5 7 ARG . 36759 1 6 8 ILE . 36759 1 7 9 ILE . 36759 1 8 10 LYS . 36759 1 9 11 GLU . 36759 1 10 12 THR . 36759 1 11 13 GLN . 36759 1 12 14 ARG . 36759 1 13 15 LEU . 36759 1 14 16 LEU . 36759 1 15 17 ALA . 36759 1 16 18 GLU . 36759 1 17 19 PRO . 36759 1 18 20 VAL . 36759 1 19 21 PRO . 36759 1 20 22 GLY . 36759 1 21 23 ILE . 36759 1 22 24 LYS . 36759 1 23 25 ALA . 36759 1 24 26 GLU . 36759 1 25 27 PRO . 36759 1 26 28 ASP . 36759 1 27 29 GLU . 36759 1 28 30 SER . 36759 1 29 31 ASN . 36759 1 30 32 ALA . 36759 1 31 33 ARG . 36759 1 32 34 TYR . 36759 1 33 35 PHE . 36759 1 34 36 HIS . 36759 1 35 37 VAL . 36759 1 36 38 VAL . 36759 1 37 39 ILE . 36759 1 38 40 ALA . 36759 1 39 41 GLY . 36759 1 40 42 PRO . 36759 1 41 43 GLN . 36759 1 42 44 ASP . 36759 1 43 45 SER . 36759 1 44 46 PRO . 36759 1 45 47 PHE . 36759 1 46 48 GLU . 36759 1 47 49 GLY . 36759 1 48 50 GLY . 36759 1 49 51 THR . 36759 1 50 52 PHE . 36759 1 51 53 LYS . 36759 1 52 54 LEU . 36759 1 53 55 GLU . 36759 1 54 56 LEU . 36759 1 55 57 PHE . 36759 1 56 58 LEU . 36759 1 57 59 PRO . 36759 1 58 60 GLU . 36759 1 59 61 GLU . 36759 1 60 62 TYR . 36759 1 61 63 PRO . 36759 1 62 64 MET . 36759 1 63 65 ALA . 36759 1 64 66 ALA . 36759 1 65 67 PRO . 36759 1 66 68 LYS . 36759 1 67 69 VAL . 36759 1 68 70 ARG . 36759 1 69 71 PHE . 36759 1 70 72 MET . 36759 1 71 73 THR . 36759 1 72 74 LYS . 36759 1 73 75 ILE . 36759 1 74 76 TYR . 36759 1 75 77 HIS . 36759 1 76 78 PRO . 36759 1 77 79 ASN . 36759 1 78 80 VAL . 36759 1 79 81 ASP . 36759 1 80 82 LYS . 36759 1 81 83 LEU . 36759 1 82 84 GLY . 36759 1 83 85 ARG . 36759 1 84 86 ILE . 36759 1 85 87 CYS . 36759 1 86 88 LEU . 36759 1 87 89 ASP . 36759 1 88 90 ILE . 36759 1 89 91 LEU . 36759 1 90 92 LYS . 36759 1 91 93 ASP . 36759 1 92 94 LYS . 36759 1 93 95 TRP . 36759 1 94 96 SER . 36759 1 95 97 PRO . 36759 1 96 98 ALA . 36759 1 97 99 LEU . 36759 1 98 100 GLN . 36759 1 99 101 ILE . 36759 1 100 102 ARG . 36759 1 101 103 THR . 36759 1 102 104 VAL . 36759 1 103 105 LEU . 36759 1 104 106 LEU . 36759 1 105 107 SER . 36759 1 106 108 ILE . 36759 1 107 109 GLN . 36759 1 108 110 ALA . 36759 1 109 111 LEU . 36759 1 110 112 LEU . 36759 1 111 113 SER . 36759 1 112 114 ALA . 36759 1 113 115 PRO . 36759 1 114 116 ASN . 36759 1 115 117 PRO . 36759 1 116 118 ASP . 36759 1 117 119 ASP . 36759 1 118 120 PRO . 36759 1 119 121 LEU . 36759 1 120 122 ALA . 36759 1 121 123 CYS . 36759 1 122 124 ASP . 36759 1 123 125 VAL . 36759 1 124 126 ALA . 36759 1 125 127 GLU . 36759 1 126 128 GLN . 36759 1 127 129 TRP . 36759 1 128 130 LYS . 36759 1 129 131 THR . 36759 1 130 132 ASN . 36759 1 131 133 GLU . 36759 1 132 134 ALA . 36759 1 133 135 GLN . 36759 1 134 136 ALA . 36759 1 135 137 ILE . 36759 1 136 138 GLU . 36759 1 137 139 THR . 36759 1 138 140 ALA . 36759 1 139 141 ARG . 36759 1 140 142 ALA . 36759 1 141 143 TRP . 36759 1 142 144 THR . 36759 1 143 145 ARG . 36759 1 144 146 LEU . 36759 1 145 147 TYR . 36759 1 146 148 ALA . 36759 1 147 149 MET . 36759 1 148 150 ASN . 36759 1 149 151 ASN . 36759 1 150 152 ILE . 36759 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 36759 1 . LEU 2 2 36759 1 . PRO 3 3 36759 1 . ARG 4 4 36759 1 . ARG 5 5 36759 1 . ILE 6 6 36759 1 . ILE 7 7 36759 1 . LYS 8 8 36759 1 . GLU 9 9 36759 1 . THR 10 10 36759 1 . GLN 11 11 36759 1 . ARG 12 12 36759 1 . LEU 13 13 36759 1 . LEU 14 14 36759 1 . ALA 15 15 36759 1 . GLU 16 16 36759 1 . PRO 17 17 36759 1 . VAL 18 18 36759 1 . PRO 19 19 36759 1 . GLY 20 20 36759 1 . ILE 21 21 36759 1 . LYS 22 22 36759 1 . ALA 23 23 36759 1 . GLU 24 24 36759 1 . PRO 25 25 36759 1 . ASP 26 26 36759 1 . GLU 27 27 36759 1 . SER 28 28 36759 1 . ASN 29 29 36759 1 . ALA 30 30 36759 1 . ARG 31 31 36759 1 . TYR 32 32 36759 1 . PHE 33 33 36759 1 . HIS 34 34 36759 1 . VAL 35 35 36759 1 . VAL 36 36 36759 1 . ILE 37 37 36759 1 . ALA 38 38 36759 1 . GLY 39 39 36759 1 . PRO 40 40 36759 1 . GLN 41 41 36759 1 . ASP 42 42 36759 1 . SER 43 43 36759 1 . PRO 44 44 36759 1 . PHE 45 45 36759 1 . GLU 46 46 36759 1 . GLY 47 47 36759 1 . GLY 48 48 36759 1 . THR 49 49 36759 1 . PHE 50 50 36759 1 . LYS 51 51 36759 1 . LEU 52 52 36759 1 . GLU 53 53 36759 1 . LEU 54 54 36759 1 . PHE 55 55 36759 1 . LEU 56 56 36759 1 . PRO 57 57 36759 1 . GLU 58 58 36759 1 . GLU 59 59 36759 1 . TYR 60 60 36759 1 . PRO 61 61 36759 1 . MET 62 62 36759 1 . ALA 63 63 36759 1 . ALA 64 64 36759 1 . PRO 65 65 36759 1 . LYS 66 66 36759 1 . VAL 67 67 36759 1 . ARG 68 68 36759 1 . PHE 69 69 36759 1 . MET 70 70 36759 1 . THR 71 71 36759 1 . LYS 72 72 36759 1 . ILE 73 73 36759 1 . TYR 74 74 36759 1 . HIS 75 75 36759 1 . PRO 76 76 36759 1 . ASN 77 77 36759 1 . VAL 78 78 36759 1 . ASP 79 79 36759 1 . LYS 80 80 36759 1 . LEU 81 81 36759 1 . GLY 82 82 36759 1 . ARG 83 83 36759 1 . ILE 84 84 36759 1 . CYS 85 85 36759 1 . LEU 86 86 36759 1 . ASP 87 87 36759 1 . ILE 88 88 36759 1 . LEU 89 89 36759 1 . LYS 90 90 36759 1 . ASP 91 91 36759 1 . LYS 92 92 36759 1 . TRP 93 93 36759 1 . SER 94 94 36759 1 . PRO 95 95 36759 1 . ALA 96 96 36759 1 . LEU 97 97 36759 1 . GLN 98 98 36759 1 . ILE 99 99 36759 1 . ARG 100 100 36759 1 . THR 101 101 36759 1 . VAL 102 102 36759 1 . LEU 103 103 36759 1 . LEU 104 104 36759 1 . SER 105 105 36759 1 . ILE 106 106 36759 1 . GLN 107 107 36759 1 . ALA 108 108 36759 1 . LEU 109 109 36759 1 . LEU 110 110 36759 1 . SER 111 111 36759 1 . ALA 112 112 36759 1 . PRO 113 113 36759 1 . ASN 114 114 36759 1 . PRO 115 115 36759 1 . ASP 116 116 36759 1 . ASP 117 117 36759 1 . PRO 118 118 36759 1 . LEU 119 119 36759 1 . ALA 120 120 36759 1 . CYS 121 121 36759 1 . ASP 122 122 36759 1 . VAL 123 123 36759 1 . ALA 124 124 36759 1 . GLU 125 125 36759 1 . GLN 126 126 36759 1 . TRP 127 127 36759 1 . LYS 128 128 36759 1 . THR 129 129 36759 1 . ASN 130 130 36759 1 . GLU 131 131 36759 1 . ALA 132 132 36759 1 . GLN 133 133 36759 1 . ALA 134 134 36759 1 . ILE 135 135 36759 1 . GLU 136 136 36759 1 . THR 137 137 36759 1 . ALA 138 138 36759 1 . ARG 139 139 36759 1 . ALA 140 140 36759 1 . TRP 141 141 36759 1 . THR 142 142 36759 1 . ARG 143 143 36759 1 . LEU 144 144 36759 1 . TYR 145 145 36759 1 . ALA 146 146 36759 1 . MET 147 147 36759 1 . ASN 148 148 36759 1 . ASN 149 149 36759 1 . ILE 150 150 36759 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36759 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ubiquitin _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8576.831 _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 'Donor Ub' common 36759 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36759 2 2 2 GLN . 36759 2 3 3 ILE . 36759 2 4 4 PHE . 36759 2 5 5 VAL . 36759 2 6 6 LYS . 36759 2 7 7 THR . 36759 2 8 8 LEU . 36759 2 9 9 THR . 36759 2 10 10 GLY . 36759 2 11 11 LYS . 36759 2 12 12 THR . 36759 2 13 13 ILE . 36759 2 14 14 THR . 36759 2 15 15 LEU . 36759 2 16 16 GLU . 36759 2 17 17 VAL . 36759 2 18 18 GLU . 36759 2 19 19 PRO . 36759 2 20 20 SER . 36759 2 21 21 ASP . 36759 2 22 22 THR . 36759 2 23 23 ILE . 36759 2 24 24 GLU . 36759 2 25 25 ASN . 36759 2 26 26 VAL . 36759 2 27 27 LYS . 36759 2 28 28 ALA . 36759 2 29 29 LYS . 36759 2 30 30 ILE . 36759 2 31 31 GLN . 36759 2 32 32 ASP . 36759 2 33 33 LYS . 36759 2 34 34 GLU . 36759 2 35 35 GLY . 36759 2 36 36 ILE . 36759 2 37 37 PRO . 36759 2 38 38 PRO . 36759 2 39 39 ASP . 36759 2 40 40 GLN . 36759 2 41 41 GLN . 36759 2 42 42 ARG . 36759 2 43 43 LEU . 36759 2 44 44 ILE . 36759 2 45 45 PHE . 36759 2 46 46 ALA . 36759 2 47 47 GLY . 36759 2 48 48 LYS . 36759 2 49 49 GLN . 36759 2 50 50 LEU . 36759 2 51 51 GLU . 36759 2 52 52 ASP . 36759 2 53 53 GLY . 36759 2 54 54 ARG . 36759 2 55 55 THR . 36759 2 56 56 LEU . 36759 2 57 57 SER . 36759 2 58 58 ASP . 36759 2 59 59 TYR . 36759 2 60 60 ASN . 36759 2 61 61 ILE . 36759 2 62 62 GLN . 36759 2 63 63 LYS . 36759 2 64 64 GLU . 36759 2 65 65 SER . 36759 2 66 66 THR . 36759 2 67 67 LEU . 36759 2 68 68 HIS . 36759 2 69 69 LEU . 36759 2 70 70 VAL . 36759 2 71 71 LEU . 36759 2 72 72 ARG . 36759 2 73 73 LEU . 36759 2 74 74 ARG . 36759 2 75 75 GLY . 36759 2 76 76 GLY . 36759 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 36759 2 . GLN 2 2 36759 2 . ILE 3 3 36759 2 . PHE 4 4 36759 2 . VAL 5 5 36759 2 . LYS 6 6 36759 2 . THR 7 7 36759 2 . LEU 8 8 36759 2 . THR 9 9 36759 2 . GLY 10 10 36759 2 . LYS 11 11 36759 2 . THR 12 12 36759 2 . ILE 13 13 36759 2 . THR 14 14 36759 2 . LEU 15 15 36759 2 . GLU 16 16 36759 2 . VAL 17 17 36759 2 . GLU 18 18 36759 2 . PRO 19 19 36759 2 . SER 20 20 36759 2 . ASP 21 21 36759 2 . THR 22 22 36759 2 . ILE 23 23 36759 2 . GLU 24 24 36759 2 . ASN 25 25 36759 2 . VAL 26 26 36759 2 . LYS 27 27 36759 2 . ALA 28 28 36759 2 . LYS 29 29 36759 2 . ILE 30 30 36759 2 . GLN 31 31 36759 2 . ASP 32 32 36759 2 . LYS 33 33 36759 2 . GLU 34 34 36759 2 . GLY 35 35 36759 2 . ILE 36 36 36759 2 . PRO 37 37 36759 2 . PRO 38 38 36759 2 . ASP 39 39 36759 2 . GLN 40 40 36759 2 . GLN 41 41 36759 2 . ARG 42 42 36759 2 . LEU 43 43 36759 2 . ILE 44 44 36759 2 . PHE 45 45 36759 2 . ALA 46 46 36759 2 . GLY 47 47 36759 2 . LYS 48 48 36759 2 . GLN 49 49 36759 2 . LEU 50 50 36759 2 . GLU 51 51 36759 2 . ASP 52 52 36759 2 . GLY 53 53 36759 2 . ARG 54 54 36759 2 . THR 55 55 36759 2 . LEU 56 56 36759 2 . SER 57 57 36759 2 . ASP 58 58 36759 2 . TYR 59 59 36759 2 . ASN 60 60 36759 2 . ILE 61 61 36759 2 . GLN 62 62 36759 2 . LYS 63 63 36759 2 . GLU 64 64 36759 2 . SER 65 65 36759 2 . THR 66 66 36759 2 . LEU 67 67 36759 2 . HIS 68 68 36759 2 . LEU 69 69 36759 2 . VAL 70 70 36759 2 . LEU 71 71 36759 2 . ARG 72 72 36759 2 . LEU 73 73 36759 2 . ARG 74 74 36759 2 . GLY 75 75 36759 2 . GLY 76 76 36759 2 stop_ save_ save_entity_A1EQF _Entity.Sf_category entity _Entity.Sf_framecode entity_A1EQF _Entity.Entry_ID 36759 _Entity.ID 3 _Entity.BMRB_code A1EQF _Entity.Name ; (5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione ; _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID A1EQF _Entity.Nonpolymer_comp_label $chem_comp_A1EQF _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 469.305 _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 1 201 A1EQF $chem_comp_A1EQF 36759 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 36759 _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 . . . . . . . . . . . 'UBE2N, BLU' . 36759 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'RPS27A, UBA80, UBCEP1' . 36759 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 36759 _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 . . . . . . . . . . 36759 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36759 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_A1EQF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_A1EQF _Chem_comp.Entry_ID 36759 _Chem_comp.ID A1EQF _Chem_comp.Provenance . _Chem_comp.Name ; (5~{S},16~{S})-16-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2,11,12,17-tetraoxa-5,8-diaza-1$l^{4}-manganatricyclo[6.3.3.3^{1,5}]heptadecane-3,10,13-trione ; _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code A1EQF _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C16 H22 Mn N4 O9' _Chem_comp.Formula_weight 469.305 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_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 C1 . C1 . . C . . N . . . . . no . . . . . . . . . . . . . . 1 . 36759 A1EQF C2 . C2 . . C . . N . . . . . no . . . . . . . . . . . . . . 2 . 36759 A1EQF C3 . C3 . . C . . N . . . . . no . . . . . . . . . . . . . . 3 . 36759 A1EQF C4 . C4 . . C . . N . . . . . no . . . . . . . . . . . . . . 4 . 36759 A1EQF C7 . C7 . . C . . N . . . . . no . . . . . . . . . . . . . . 5 . 36759 A1EQF MN . MN . . MN . . N . . . . . no . . . . . . . . . . . . . . 6 . 36759 A1EQF C6 . C6 . . C . . N . . . . . no . . . . . . . . . . . . . . 7 . 36759 A1EQF O1 . O1 . . O . . N . . . . . no . . . . . . . . . . . . . . 8 . 36759 A1EQF O4 . O4 . . O . . N . . . . . no . . . . . . . . . . . . . . 9 . 36759 A1EQF N5 . N5 . . N . . N . . . . . no . . . . . . . . . . . . . . 10 . 36759 A1EQF N8 . N8 . . N . . N . . . . . no . . . . . . . . . . . . . . 11 . 36759 A1EQF CY5 . CY5 . . C . . S . . . . . no . . . . . . . . . . . . . . 12 . 36759 A1EQF OY1 . OY1 . . O . . N . . . . . no . . . . . . . . . . . . . . 13 . 36759 A1EQF CY1 . CY1 . . C . . N . . . . . no . . . . . . . . . . . . . . 14 . 36759 A1EQF NYA . NYA . . N . . S . . . . . no . . . . . . . . . . . . . . 15 . 36759 A1EQF CYA . CYA . . C . . N . . . . . no . . . . . . . . . . . . . . 16 . 36759 A1EQF CYB . CYB . . C . . N . . . . . no . . . . . . . . . . . . . . 17 . 36759 A1EQF NYB . NYB . . N . . N . . . . . no . . . . . . . . . . . . . . 18 . 36759 A1EQF CY3 . CY3 . . C . . N . . . . . no . . . . . . . . . . . . . . 19 . 36759 A1EQF CY7 . CY7 . . C . . N . . . . . no . . . . . . . . . . . . . . 20 . 36759 A1EQF OY7 . OY7 . . O . . N . . . . . no . . . . . . . . . . . . . . 21 . 36759 A1EQF OY3 . OY3 . . O . . N . . . . . no . . . . . . . . . . . . . . 22 . 36759 A1EQF CY2 . CY2 . . C . . N . . . . . no . . . . . . . . . . . . . . 23 . 36759 A1EQF CY6 . CY6 . . C . . N . . . . . no . . . . . . . . . . . . . . 24 . 36759 A1EQF OY6 . OY6 . . O . . N . . . . . no . . . . . . . . . . . . . . 25 . 36759 A1EQF OY2 . OY2 . . O . . N . . . . . no . . . . . . . . . . . . . . 26 . 36759 A1EQF CY4 . CY4 . . C . . N . . . . . no . . . . . . . . . . . . . . 27 . 36759 A1EQF CY8 . CY8 . . C . . N . . . . . no . . . . . . . . . . . . . . 28 . 36759 A1EQF OY8 . OY8 . . O . . N . . . . . no . . . . . . . . . . . . . . 29 . 36759 A1EQF OY4 . OY4 . . O . . N . . . . . no . . . . . . . . . . . . . . 30 . 36759 A1EQF H1 . H1 . . H . . N . . . . . no . . . . . . . . . . . . . . 31 . 36759 A1EQF H2 . H2 . . H . . N . . . . . no . . . . . . . . . . . . . . 32 . 36759 A1EQF H32 . H32 . . H . . N . . . . . no . . . . . . . . . . . . . . 33 . 36759 A1EQF H31 . H31 . . H . . N . . . . . no . . . . . . . . . . . . . . 34 . 36759 A1EQF H71 . H71 . . H . . N . . . . . no . . . . . . . . . . . . . . 35 . 36759 A1EQF H72 . H72 . . H . . N . . . . . no . . . . . . . . . . . . . . 36 . 36759 A1EQF H62 . H62 . . H . . N . . . . . no . . . . . . . . . . . . . . 37 . 36759 A1EQF H61 . H61 . . H . . N . . . . . no . . . . . . . . . . . . . . 38 . 36759 A1EQF H3 . H3 . . H . . N . . . . . no . . . . . . . . . . . . . . 39 . 36759 A1EQF H5 . H5 . . H . . N . . . . . no . . . . . . . . . . . . . . 40 . 36759 A1EQF HY12 . HY12 . . H . . N . . . . . no . . . . . . . . . . . . . . 41 . 36759 A1EQF HY11 . HY11 . . H . . N . . . . . no . . . . . . . . . . . . . . 42 . 36759 A1EQF HYA2 . HYA2 . . H . . N . . . . . no . . . . . . . . . . . . . . 43 . 36759 A1EQF HYA1 . HYA1 . . H . . N . . . . . no . . . . . . . . . . . . . . 44 . 36759 A1EQF HYB2 . HYB2 . . H . . N . . . . . no . . . . . . . . . . . . . . 45 . 36759 A1EQF HYB1 . HYB1 . . H . . N . . . . . no . . . . . . . . . . . . . . 46 . 36759 A1EQF HY31 . HY31 . . H . . N . . . . . no . . . . . . . . . . . . . . 47 . 36759 A1EQF HY32 . HY32 . . H . . N . . . . . no . . . . . . . . . . . . . . 48 . 36759 A1EQF HY21 . HY21 . . H . . N . . . . . no . . . . . . . . . . . . . . 49 . 36759 A1EQF HY22 . HY22 . . H . . N . . . . . no . . . . . . . . . . . . . . 50 . 36759 A1EQF HY41 . HY41 . . H . . N . . . . . no . . . . . . . . . . . . . . 51 . 36759 A1EQF HY42 . HY42 . . H . . N . . . . . no . . . . . . . . . . . . . . 52 . 36759 A1EQF stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 36759 A1EQF 2 . DOUB C1 O1 no N 2 . 36759 A1EQF 3 . SING C1 N5 no N 3 . 36759 A1EQF 4 . SING C2 C3 no N 4 . 36759 A1EQF 5 . SING C3 C4 no N 5 . 36759 A1EQF 6 . DOUB C4 O4 no N 6 . 36759 A1EQF 7 . SING C4 N5 no N 7 . 36759 A1EQF 8 . SING C7 C6 no N 8 . 36759 A1EQF 9 . SING C7 N8 no N 9 . 36759 A1EQF 10 . SING MN OY1 no N 10 . 36759 A1EQF 11 . SING MN OY3 no N 11 . 36759 A1EQF 12 . SING MN OY2 no N 12 . 36759 A1EQF 13 . SING MN OY4 no N 13 . 36759 A1EQF 14 . SING C6 N5 no N 14 . 36759 A1EQF 15 . SING N8 CY5 no N 15 . 36759 A1EQF 16 . SING CY5 OY1 no N 16 . 36759 A1EQF 17 . SING CY5 CY1 no N 17 . 36759 A1EQF 18 . SING CY1 NYA no N 18 . 36759 A1EQF 19 . SING NYA CYA no N 19 . 36759 A1EQF 20 . SING NYA CY4 no N 20 . 36759 A1EQF 21 . SING CYA CYB no N 21 . 36759 A1EQF 22 . SING CYB NYB no N 22 . 36759 A1EQF 23 . SING NYB CY3 no N 23 . 36759 A1EQF 24 . SING NYB CY2 no N 24 . 36759 A1EQF 25 . SING CY3 CY7 no N 25 . 36759 A1EQF 26 . DOUB CY7 OY7 no N 26 . 36759 A1EQF 27 . SING CY7 OY3 no N 27 . 36759 A1EQF 28 . SING CY2 CY6 no N 28 . 36759 A1EQF 29 . DOUB CY6 OY6 no N 29 . 36759 A1EQF 30 . SING CY6 OY2 no N 30 . 36759 A1EQF 31 . SING CY4 CY8 no N 31 . 36759 A1EQF 32 . DOUB CY8 OY8 no N 32 . 36759 A1EQF 33 . SING CY8 OY4 no N 33 . 36759 A1EQF 34 . SING C2 H1 no N 34 . 36759 A1EQF 35 . SING C2 H2 no N 35 . 36759 A1EQF 36 . SING C3 H32 no N 36 . 36759 A1EQF 37 . SING C3 H31 no N 37 . 36759 A1EQF 38 . SING C7 H71 no N 38 . 36759 A1EQF 39 . SING C7 H72 no N 39 . 36759 A1EQF 40 . SING C6 H62 no N 40 . 36759 A1EQF 41 . SING C6 H61 no N 41 . 36759 A1EQF 42 . SING N8 H3 no N 42 . 36759 A1EQF 43 . SING CY5 H5 no N 43 . 36759 A1EQF 44 . SING CY1 HY12 no N 44 . 36759 A1EQF 45 . SING CY1 HY11 no N 45 . 36759 A1EQF 46 . SING CYA HYA2 no N 46 . 36759 A1EQF 47 . SING CYA HYA1 no N 47 . 36759 A1EQF 48 . SING CYB HYB2 no N 48 . 36759 A1EQF 49 . SING CYB HYB1 no N 49 . 36759 A1EQF 50 . SING CY3 HY31 no N 50 . 36759 A1EQF 51 . SING CY3 HY32 no N 51 . 36759 A1EQF 52 . SING CY2 HY21 no N 52 . 36759 A1EQF 53 . SING CY2 HY22 no N 53 . 36759 A1EQF 54 . SING CY4 HY41 no N 54 . 36759 A1EQF 55 . SING CY4 HY42 no N 55 . 36759 A1EQF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36759 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM [U-15N] Ubi, 0.2 mM E2N, 20 mM HEPES, 90 % H2O, 10 % [U-2H] D2O, 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 E2N 'natural abundance' 1 $assembly 1 $entity_1 . protein 0.2 . . mM . . . . 36759 1 2 Ubi [U-15N] 1 $assembly 2 $entity_2 . protein 0.6 . . mM . . . . 36759 1 3 HEPES 'natural abundance' . . . . . buffer 20 . . mM . . . . 36759 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36759 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36759 1 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 36759 _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' 0.02 . M 36759 1 pH 7.5 0.05 pH 36759 1 pressure 1 . atm 36759 1 temperature 298 0.5 K 36759 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36759 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 2010 _Software.DOI . _Software.Details 'Rev 2006.303.16.07' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36759 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36759 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36759 _Software.ID 2 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36759 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36759 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36759 _Software.ID 3 _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' . . 36759 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36759 3 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 36759 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'cryogenic probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 36759 _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 . 800 . . . 36759 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 36759 _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 PRE' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36759 1 2 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36759 1 3 '3D HN(CO)CA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36759 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36759 1 5 '3D iHNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36759 1 6 '3D iHN(CA)CB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36759 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 36759 _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 water protons . . . . ppm 4.7547 internal indirect 0.251449530 . . . . . 36759 1 H 1 water protons . . . . ppm 4.7547 internal direct 1.0 . . . . . 36759 1 N 15 water protons . . . . ppm 4.7547 internal indirect 0.101329118 . . . . . 36759 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 36759 _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 2 '3D HNCO' 1 $sample_1 isotropic 36759 1 3 '3D HN(CO)CA' 1 $sample_1 isotropic 36759 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36759 1 5 '3D iHNCA' 1 $sample_1 isotropic 36759 1 6 '3D iHN(CA)CB' 1 $sample_1 isotropic 36759 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 . 2 . 2 1 1 MET C C 13 170.43 0.10 . 1 . . . . B 1 MET C . 36759 1 2 . 2 . 2 1 1 MET CA C 13 54.48 0.10 . 1 . . . . B 1 MET CA . 36759 1 3 . 2 . 2 1 1 MET CB C 13 33.15 0.10 . 1 . . . . B 1 MET CB . 36759 1 4 . 2 . 2 2 2 GLN H H 1 8.93 0.01 . 1 . . . . B 2 GLN H . 36759 1 5 . 2 . 2 2 2 GLN C C 13 175.94 0.10 . 1 . . . . B 2 GLN C . 36759 1 6 . 2 . 2 2 2 GLN CA C 13 55.13 0.10 . 1 . . . . B 2 GLN CA . 36759 1 7 . 2 . 2 2 2 GLN CB C 13 30.64 0.10 . 1 . . . . B 2 GLN CB . 36759 1 8 . 2 . 2 2 2 GLN N N 15 123.16 0.10 . 1 . . . . B 2 GLN N . 36759 1 9 . 2 . 2 3 3 ILE H H 1 8.30 0.01 . 1 . . . . B 3 ILE H . 36759 1 10 . 2 . 2 3 3 ILE C C 13 172.30 0.10 . 1 . . . . B 3 ILE C . 36759 1 11 . 2 . 2 3 3 ILE CA C 13 59.60 0.10 . 1 . . . . B 3 ILE CA . 36759 1 12 . 2 . 2 3 3 ILE CB C 13 42.10 0.10 . 1 . . . . B 3 ILE CB . 36759 1 13 . 2 . 2 3 3 ILE N N 15 115.31 0.10 . 1 . . . . B 3 ILE N . 36759 1 14 . 2 . 2 4 4 PHE H H 1 8.59 0.01 . 1 . . . . B 4 PHE H . 36759 1 15 . 2 . 2 4 4 PHE C C 13 175.17 0.10 . 1 . . . . B 4 PHE C . 36759 1 16 . 2 . 2 4 4 PHE CA C 13 55.14 0.10 . 1 . . . . B 4 PHE CA . 36759 1 17 . 2 . 2 4 4 PHE CB C 13 41.28 0.10 . 1 . . . . B 4 PHE CB . 36759 1 18 . 2 . 2 4 4 PHE N N 15 118.44 0.10 . 1 . . . . B 4 PHE N . 36759 1 19 . 2 . 2 5 5 VAL H H 1 9.31 0.01 . 1 . . . . B 5 VAL H . 36759 1 20 . 2 . 2 5 5 VAL C C 13 174.75 0.10 . 1 . . . . B 5 VAL C . 36759 1 21 . 2 . 2 5 5 VAL CA C 13 60.53 0.10 . 1 . . . . B 5 VAL CA . 36759 1 22 . 2 . 2 5 5 VAL CB C 13 34.21 0.10 . 1 . . . . B 5 VAL CB . 36759 1 23 . 2 . 2 5 5 VAL N N 15 121.33 0.10 . 1 . . . . B 5 VAL N . 36759 1 24 . 2 . 2 6 6 LYS H H 1 8.84 0.01 . 1 . . . . B 6 LYS H . 36759 1 25 . 2 . 2 6 6 LYS C C 13 177.07 0.10 . 1 . . . . B 6 LYS C . 36759 1 26 . 2 . 2 6 6 LYS CA C 13 54.50 0.10 . 1 . . . . B 6 LYS CA . 36759 1 27 . 2 . 2 6 6 LYS CB C 13 34.61 0.10 . 1 . . . . B 6 LYS CB . 36759 1 28 . 2 . 2 6 6 LYS N N 15 127.73 0.10 . 1 . . . . B 6 LYS N . 36759 1 29 . 2 . 2 7 7 THR H H 1 8.74 0.01 . 1 . . . . B 7 THR H . 36759 1 30 . 2 . 2 7 7 THR C C 13 176.87 0.10 . 1 . . . . B 7 THR C . 36759 1 31 . 2 . 2 7 7 THR CA C 13 60.50 0.10 . 1 . . . . B 7 THR CA . 36759 1 32 . 2 . 2 7 7 THR CB C 13 70.46 0.10 . 1 . . . . B 7 THR CB . 36759 1 33 . 2 . 2 7 7 THR N N 15 115.61 0.10 . 1 . . . . B 7 THR N . 36759 1 34 . 2 . 2 8 8 LEU H H 1 9.14 0.01 . 1 . . . . B 8 LEU H . 36759 1 35 . 2 . 2 8 8 LEU C C 13 178.78 0.10 . 1 . . . . B 8 LEU C . 36759 1 36 . 2 . 2 8 8 LEU CA C 13 57.57 0.10 . 1 . . . . B 8 LEU CA . 36759 1 37 . 2 . 2 8 8 LEU CB C 13 41.91 0.10 . 1 . . . . B 8 LEU CB . 36759 1 38 . 2 . 2 8 8 LEU N N 15 121.60 0.10 . 1 . . . . B 8 LEU N . 36759 1 39 . 2 . 2 9 9 THR H H 1 7.63 0.01 . 1 . . . . B 9 THR H . 36759 1 40 . 2 . 2 9 9 THR C C 13 175.45 0.10 . 1 . . . . B 9 THR C . 36759 1 41 . 2 . 2 9 9 THR CA C 13 61.42 0.10 . 1 . . . . B 9 THR CA . 36759 1 42 . 2 . 2 9 9 THR CB C 13 69.02 0.10 . 1 . . . . B 9 THR CB . 36759 1 43 . 2 . 2 9 9 THR N N 15 105.90 0.10 . 1 . . . . B 9 THR N . 36759 1 44 . 2 . 2 10 10 GLY H H 1 7.80 0.01 . 1 . . . . B 10 GLY H . 36759 1 45 . 2 . 2 10 10 GLY C C 13 173.95 0.10 . 1 . . . . B 10 GLY C . 36759 1 46 . 2 . 2 10 10 GLY CA C 13 45.36 0.10 . 1 . . . . B 10 GLY CA . 36759 1 47 . 2 . 2 10 10 GLY N N 15 109.22 0.10 . 1 . . . . B 10 GLY N . 36759 1 48 . 2 . 2 11 11 LYS H H 1 7.27 0.01 . 1 . . . . B 11 LYS H . 36759 1 49 . 2 . 2 11 11 LYS C C 13 175.76 0.10 . 1 . . . . B 11 LYS C . 36759 1 50 . 2 . 2 11 11 LYS CA C 13 56.36 0.10 . 1 . . . . B 11 LYS CA . 36759 1 51 . 2 . 2 11 11 LYS CB C 13 33.34 0.10 . 1 . . . . B 11 LYS CB . 36759 1 52 . 2 . 2 11 11 LYS N N 15 122.02 0.10 . 1 . . . . B 11 LYS N . 36759 1 53 . 2 . 2 12 12 THR H H 1 8.64 0.01 . 1 . . . . B 12 THR H . 36759 1 54 . 2 . 2 12 12 THR C C 13 174.23 0.10 . 1 . . . . B 12 THR C . 36759 1 55 . 2 . 2 12 12 THR CA C 13 62.41 0.10 . 1 . . . . B 12 THR CA . 36759 1 56 . 2 . 2 12 12 THR CB C 13 69.72 0.10 . 1 . . . . B 12 THR CB . 36759 1 57 . 2 . 2 12 12 THR N N 15 120.71 0.10 . 1 . . . . B 12 THR N . 36759 1 58 . 2 . 2 13 13 ILE H H 1 9.50 0.01 . 1 . . . . B 13 ILE H . 36759 1 59 . 2 . 2 13 13 ILE C C 13 175.13 0.10 . 1 . . . . B 13 ILE C . 36759 1 60 . 2 . 2 13 13 ILE CA C 13 60.02 0.10 . 1 . . . . B 13 ILE CA . 36759 1 61 . 2 . 2 13 13 ILE CB C 13 40.80 0.10 . 1 . . . . B 13 ILE CB . 36759 1 62 . 2 . 2 13 13 ILE N N 15 127.77 0.10 . 1 . . . . B 13 ILE N . 36759 1 63 . 2 . 2 14 14 THR H H 1 8.73 0.01 . 1 . . . . B 14 THR H . 36759 1 64 . 2 . 2 14 14 THR C C 13 173.68 0.10 . 1 . . . . B 14 THR C . 36759 1 65 . 2 . 2 14 14 THR CA C 13 62.08 0.10 . 1 . . . . B 14 THR CA . 36759 1 66 . 2 . 2 14 14 THR CB C 13 69.54 0.10 . 1 . . . . B 14 THR CB . 36759 1 67 . 2 . 2 14 14 THR N N 15 121.95 0.10 . 1 . . . . B 14 THR N . 36759 1 68 . 2 . 2 15 15 LEU H H 1 8.71 0.01 . 1 . . . . B 15 LEU H . 36759 1 69 . 2 . 2 15 15 LEU C C 13 174.52 0.10 . 1 . . . . B 15 LEU C . 36759 1 70 . 2 . 2 15 15 LEU CA C 13 52.77 0.10 . 1 . . . . B 15 LEU CA . 36759 1 71 . 2 . 2 15 15 LEU CB C 13 46.90 0.10 . 1 . . . . B 15 LEU CB . 36759 1 72 . 2 . 2 15 15 LEU N N 15 125.16 0.10 . 1 . . . . B 15 LEU N . 36759 1 73 . 2 . 2 16 16 GLU H H 1 8.13 0.01 . 1 . . . . B 16 GLU H . 36759 1 74 . 2 . 2 16 16 GLU C C 13 175.75 0.10 . 1 . . . . B 16 GLU C . 36759 1 75 . 2 . 2 16 16 GLU CA C 13 54.88 0.10 . 1 . . . . B 16 GLU CA . 36759 1 76 . 2 . 2 16 16 GLU CB C 13 29.64 0.10 . 1 . . . . B 16 GLU CB . 36759 1 77 . 2 . 2 16 16 GLU N N 15 122.50 0.10 . 1 . . . . B 16 GLU N . 36759 1 78 . 2 . 2 17 17 VAL H H 1 8.92 0.01 . 1 . . . . B 17 VAL H . 36759 1 79 . 2 . 2 17 17 VAL C C 13 174.02 0.10 . 1 . . . . B 17 VAL C . 36759 1 80 . 2 . 2 17 17 VAL CA C 13 58.43 0.10 . 1 . . . . B 17 VAL CA . 36759 1 81 . 2 . 2 17 17 VAL CB C 13 36.36 0.10 . 1 . . . . B 17 VAL CB . 36759 1 82 . 2 . 2 17 17 VAL N N 15 117.56 0.10 . 1 . . . . B 17 VAL N . 36759 1 83 . 2 . 2 18 18 GLU H H 1 8.63 0.01 . 1 . . . . B 18 GLU H . 36759 1 84 . 2 . 2 18 18 GLU CA C 13 52.72 0.10 . 1 . . . . B 18 GLU CA . 36759 1 85 . 2 . 2 18 18 GLU CB C 13 30.64 0.10 . 1 . . . . B 18 GLU CB . 36759 1 86 . 2 . 2 18 18 GLU N N 15 119.32 0.10 . 1 . . . . B 18 GLU N . 36759 1 87 . 2 . 2 19 19 PRO C C 13 179.84 0.10 . 1 . . . . B 19 PRO C . 36759 1 88 . 2 . 2 19 19 PRO CA C 13 65.30 0.10 . 1 . . . . B 19 PRO CA . 36759 1 89 . 2 . 2 19 19 PRO CB C 13 31.86 0.10 . 1 . . . . B 19 PRO CB . 36759 1 90 . 2 . 2 20 20 SER H H 1 7.03 0.01 . 1 . . . . B 20 SER H . 36759 1 91 . 2 . 2 20 20 SER C C 13 174.56 0.10 . 1 . . . . B 20 SER C . 36759 1 92 . 2 . 2 20 20 SER CA C 13 57.40 0.10 . 1 . . . . B 20 SER CA . 36759 1 93 . 2 . 2 20 20 SER CB C 13 63.36 0.10 . 1 . . . . B 20 SER CB . 36759 1 94 . 2 . 2 20 20 SER N N 15 103.54 0.10 . 1 . . . . B 20 SER N . 36759 1 95 . 2 . 2 21 21 ASP H H 1 8.04 0.01 . 1 . . . . B 21 ASP H . 36759 1 96 . 2 . 2 21 21 ASP C C 13 176.26 0.10 . 1 . . . . B 21 ASP C . 36759 1 97 . 2 . 2 21 21 ASP CA C 13 55.81 0.10 . 1 . . . . B 21 ASP CA . 36759 1 98 . 2 . 2 21 21 ASP CB C 13 40.81 0.10 . 1 . . . . B 21 ASP CB . 36759 1 99 . 2 . 2 21 21 ASP N N 15 123.90 0.10 . 1 . . . . B 21 ASP N . 36759 1 100 . 2 . 2 22 22 THR H H 1 7.90 0.01 . 1 . . . . B 22 THR H . 36759 1 101 . 2 . 2 22 22 THR C C 13 176.67 0.10 . 1 . . . . B 22 THR C . 36759 1 102 . 2 . 2 22 22 THR CA C 13 59.70 0.10 . 1 . . . . B 22 THR CA . 36759 1 103 . 2 . 2 22 22 THR CB C 13 71.20 0.10 . 1 . . . . B 22 THR CB . 36759 1 104 . 2 . 2 22 22 THR N N 15 109.10 0.10 . 1 . . . . B 22 THR N . 36759 1 105 . 2 . 2 23 23 ILE H H 1 8.53 0.01 . 1 . . . . B 23 ILE H . 36759 1 106 . 2 . 2 23 23 ILE CA C 13 62.33 0.10 . 1 . . . . B 23 ILE CA . 36759 1 107 . 2 . 2 23 23 ILE CB C 13 34.48 0.10 . 1 . . . . B 23 ILE CB . 36759 1 108 . 2 . 2 23 23 ILE N N 15 121.35 0.10 . 1 . . . . B 23 ILE N . 36759 1 109 . 2 . 2 24 24 GLU C C 13 178.77 0.10 . 1 . . . . B 24 GLU C . 36759 1 110 . 2 . 2 24 24 GLU CA C 13 60.55 0.10 . 1 . . . . B 24 GLU CA . 36759 1 111 . 2 . 2 24 24 GLU CB C 13 28.49 0.10 . 1 . . . . B 24 GLU CB . 36759 1 112 . 2 . 2 25 25 ASN H H 1 7.92 0.01 . 1 . . . . B 25 ASN H . 36759 1 113 . 2 . 2 25 25 ASN C C 13 178.27 0.10 . 1 . . . . B 25 ASN C . 36759 1 114 . 2 . 2 25 25 ASN CA C 13 56.05 0.10 . 1 . . . . B 25 ASN CA . 36759 1 115 . 2 . 2 25 25 ASN CB C 13 38.47 0.10 . 1 . . . . B 25 ASN CB . 36759 1 116 . 2 . 2 25 25 ASN N N 15 121.22 0.10 . 1 . . . . B 25 ASN N . 36759 1 117 . 2 . 2 26 26 VAL H H 1 8.09 0.01 . 1 . . . . B 26 VAL H . 36759 1 118 . 2 . 2 26 26 VAL C C 13 177.85 0.10 . 1 . . . . B 26 VAL C . 36759 1 119 . 2 . 2 26 26 VAL CA C 13 67.63 0.10 . 1 . . . . B 26 VAL CA . 36759 1 120 . 2 . 2 26 26 VAL CB C 13 30.79 0.10 . 1 . . . . B 26 VAL CB . 36759 1 121 . 2 . 2 26 26 VAL N N 15 122.11 0.10 . 1 . . . . B 26 VAL N . 36759 1 122 . 2 . 2 27 27 LYS H H 1 8.55 0.01 . 1 . . . . B 27 LYS H . 36759 1 123 . 2 . 2 27 27 LYS C C 13 180.45 0.10 . 1 . . . . B 27 LYS C . 36759 1 124 . 2 . 2 27 27 LYS CA C 13 59.21 0.10 . 1 . . . . B 27 LYS CA . 36759 1 125 . 2 . 2 27 27 LYS CB C 13 33.67 0.10 . 1 . . . . B 27 LYS CB . 36759 1 126 . 2 . 2 27 27 LYS N N 15 119.08 0.10 . 1 . . . . B 27 LYS N . 36759 1 127 . 2 . 2 28 28 ALA H H 1 8.01 0.01 . 1 . . . . B 28 ALA H . 36759 1 128 . 2 . 2 28 28 ALA C C 13 180.19 0.10 . 1 . . . . B 28 ALA C . 36759 1 129 . 2 . 2 28 28 ALA CA C 13 55.40 0.10 . 1 . . . . B 28 ALA CA . 36759 1 130 . 2 . 2 28 28 ALA CB C 13 17.72 0.10 . 1 . . . . B 28 ALA CB . 36759 1 131 . 2 . 2 28 28 ALA N N 15 123.65 0.10 . 1 . . . . B 28 ALA N . 36759 1 132 . 2 . 2 29 29 LYS H H 1 7.85 0.01 . 1 . . . . B 29 LYS H . 36759 1 133 . 2 . 2 29 29 LYS C C 13 180.25 0.10 . 1 . . . . B 29 LYS C . 36759 1 134 . 2 . 2 29 29 LYS CA C 13 59.76 0.10 . 1 . . . . B 29 LYS CA . 36759 1 135 . 2 . 2 29 29 LYS CB C 13 33.33 0.10 . 1 . . . . B 29 LYS CB . 36759 1 136 . 2 . 2 29 29 LYS N N 15 120.28 0.10 . 1 . . . . B 29 LYS N . 36759 1 137 . 2 . 2 30 30 ILE H H 1 8.27 0.01 . 1 . . . . B 30 ILE H . 36759 1 138 . 2 . 2 30 30 ILE C C 13 178.16 0.10 . 1 . . . . B 30 ILE C . 36759 1 139 . 2 . 2 30 30 ILE CA C 13 66.10 0.10 . 1 . . . . B 30 ILE CA . 36759 1 140 . 2 . 2 30 30 ILE CB C 13 36.76 0.10 . 1 . . . . B 30 ILE CB . 36759 1 141 . 2 . 2 30 30 ILE N N 15 121.40 0.10 . 1 . . . . B 30 ILE N . 36759 1 142 . 2 . 2 31 31 GLN H H 1 8.56 0.01 . 1 . . . . B 31 GLN H . 36759 1 143 . 2 . 2 31 31 GLN C C 13 178.80 0.10 . 1 . . . . B 31 GLN C . 36759 1 144 . 2 . 2 31 31 GLN CA C 13 60.02 0.10 . 1 . . . . B 31 GLN CA . 36759 1 145 . 2 . 2 31 31 GLN CB C 13 27.69 0.10 . 1 . . . . B 31 GLN CB . 36759 1 146 . 2 . 2 31 31 GLN N N 15 123.70 0.10 . 1 . . . . B 31 GLN N . 36759 1 147 . 2 . 2 32 32 ASP H H 1 8.01 0.01 . 1 . . . . B 32 ASP H . 36759 1 148 . 2 . 2 32 32 ASP C C 13 177.24 0.10 . 1 . . . . B 32 ASP C . 36759 1 149 . 2 . 2 32 32 ASP CA C 13 57.36 0.10 . 1 . . . . B 32 ASP CA . 36759 1 150 . 2 . 2 32 32 ASP CB C 13 40.88 0.10 . 1 . . . . B 32 ASP CB . 36759 1 151 . 2 . 2 32 32 ASP N N 15 119.76 0.10 . 1 . . . . B 32 ASP N . 36759 1 152 . 2 . 2 33 33 LYS H H 1 7.42 0.01 . 1 . . . . B 33 LYS H . 36759 1 153 . 2 . 2 33 33 LYS C C 13 177.79 0.10 . 1 . . . . B 33 LYS C . 36759 1 154 . 2 . 2 33 33 LYS CA C 13 58.10 0.10 . 1 . . . . B 33 LYS CA . 36759 1 155 . 2 . 2 33 33 LYS CB C 13 34.04 0.10 . 1 . . . . B 33 LYS CB . 36759 1 156 . 2 . 2 33 33 LYS N N 15 115.45 0.10 . 1 . . . . B 33 LYS N . 36759 1 157 . 2 . 2 34 34 GLU H H 1 8.72 0.01 . 1 . . . . B 34 GLU H . 36759 1 158 . 2 . 2 34 34 GLU C C 13 177.82 0.10 . 1 . . . . B 34 GLU C . 36759 1 159 . 2 . 2 34 34 GLU CA C 13 55.29 0.10 . 1 . . . . B 34 GLU CA . 36759 1 160 . 2 . 2 34 34 GLU CB C 13 33.08 0.10 . 1 . . . . B 34 GLU CB . 36759 1 161 . 2 . 2 34 34 GLU N N 15 114.27 0.10 . 1 . . . . B 34 GLU N . 36759 1 162 . 2 . 2 35 35 GLY H H 1 8.51 0.01 . 1 . . . . B 35 GLY H . 36759 1 163 . 2 . 2 35 35 GLY C C 13 173.87 0.10 . 1 . . . . B 35 GLY C . 36759 1 164 . 2 . 2 35 35 GLY CA C 13 46.05 0.10 . 1 . . . . B 35 GLY CA . 36759 1 165 . 2 . 2 35 35 GLY N N 15 108.96 0.10 . 1 . . . . B 35 GLY N . 36759 1 166 . 2 . 2 36 36 ILE H H 1 6.14 0.01 . 1 . . . . B 36 ILE H . 36759 1 167 . 2 . 2 36 36 ILE CA C 13 57.75 0.10 . 1 . . . . B 36 ILE CA . 36759 1 168 . 2 . 2 36 36 ILE CB C 13 40.50 0.10 . 1 . . . . B 36 ILE CB . 36759 1 169 . 2 . 2 36 36 ILE N N 15 120.30 0.10 . 1 . . . . B 36 ILE N . 36759 1 170 . 2 . 2 38 38 PRO C C 13 178.23 0.10 . 1 . . . . B 38 PRO C . 36759 1 171 . 2 . 2 38 38 PRO CA C 13 66.14 0.10 . 1 . . . . B 38 PRO CA . 36759 1 172 . 2 . 2 38 38 PRO CB C 13 32.83 0.10 . 1 . . . . B 38 PRO CB . 36759 1 173 . 2 . 2 39 39 ASP H H 1 8.54 0.01 . 1 . . . . B 39 ASP H . 36759 1 174 . 2 . 2 39 39 ASP C C 13 177.01 0.10 . 1 . . . . B 39 ASP C . 36759 1 175 . 2 . 2 39 39 ASP CA C 13 55.77 0.10 . 1 . . . . B 39 ASP CA . 36759 1 176 . 2 . 2 39 39 ASP CB C 13 39.70 0.10 . 1 . . . . B 39 ASP CB . 36759 1 177 . 2 . 2 39 39 ASP N N 15 113.62 0.10 . 1 . . . . B 39 ASP N . 36759 1 178 . 2 . 2 40 40 GLN H H 1 7.81 0.01 . 1 . . . . B 40 GLN H . 36759 1 179 . 2 . 2 40 40 GLN C C 13 175.34 0.10 . 1 . . . . B 40 GLN C . 36759 1 180 . 2 . 2 40 40 GLN CA C 13 55.61 0.10 . 1 . . . . B 40 GLN CA . 36759 1 181 . 2 . 2 40 40 GLN CB C 13 30.08 0.10 . 1 . . . . B 40 GLN CB . 36759 1 182 . 2 . 2 40 40 GLN N N 15 116.98 0.10 . 1 . . . . B 40 GLN N . 36759 1 183 . 2 . 2 41 41 GLN H H 1 7.48 0.01 . 1 . . . . B 41 GLN H . 36759 1 184 . 2 . 2 41 41 GLN C C 13 176.16 0.10 . 1 . . . . B 41 GLN C . 36759 1 185 . 2 . 2 41 41 GLN CA C 13 56.63 0.10 . 1 . . . . B 41 GLN CA . 36759 1 186 . 2 . 2 41 41 GLN CB C 13 31.56 0.10 . 1 . . . . B 41 GLN CB . 36759 1 187 . 2 . 2 41 41 GLN N N 15 118.09 0.10 . 1 . . . . B 41 GLN N . 36759 1 188 . 2 . 2 42 42 ARG H H 1 8.51 0.01 . 1 . . . . B 42 ARG H . 36759 1 189 . 2 . 2 42 42 ARG C C 13 173.89 0.10 . 1 . . . . B 42 ARG C . 36759 1 190 . 2 . 2 42 42 ARG CA C 13 55.11 0.10 . 1 . . . . B 42 ARG CA . 36759 1 191 . 2 . 2 42 42 ARG CB C 13 31.72 0.10 . 1 . . . . B 42 ARG CB . 36759 1 192 . 2 . 2 42 42 ARG N N 15 123.02 0.10 . 1 . . . . B 42 ARG N . 36759 1 193 . 2 . 2 43 43 LEU H H 1 8.83 0.01 . 1 . . . . B 43 LEU H . 36759 1 194 . 2 . 2 43 43 LEU C C 13 175.21 0.10 . 1 . . . . B 43 LEU C . 36759 1 195 . 2 . 2 43 43 LEU CA C 13 53.02 0.10 . 1 . . . . B 43 LEU CA . 36759 1 196 . 2 . 2 43 43 LEU CB C 13 45.69 0.10 . 1 . . . . B 43 LEU CB . 36759 1 197 . 2 . 2 43 43 LEU N N 15 124.41 0.10 . 1 . . . . B 43 LEU N . 36759 1 198 . 2 . 2 44 44 ILE H H 1 9.05 0.01 . 1 . . . . B 44 ILE H . 36759 1 199 . 2 . 2 44 44 ILE C C 13 175.92 0.10 . 1 . . . . B 44 ILE C . 36759 1 200 . 2 . 2 44 44 ILE CA C 13 58.94 0.10 . 1 . . . . B 44 ILE CA . 36759 1 201 . 2 . 2 44 44 ILE CB C 13 41.21 0.10 . 1 . . . . B 44 ILE CB . 36759 1 202 . 2 . 2 44 44 ILE N N 15 122.20 0.10 . 1 . . . . B 44 ILE N . 36759 1 203 . 2 . 2 45 45 PHE H H 1 8.83 0.01 . 1 . . . . B 45 PHE H . 36759 1 204 . 2 . 2 45 45 PHE C C 13 174.44 0.10 . 1 . . . . B 45 PHE C . 36759 1 205 . 2 . 2 45 45 PHE CA C 13 56.82 0.10 . 1 . . . . B 45 PHE CA . 36759 1 206 . 2 . 2 45 45 PHE CB C 13 43.71 0.10 . 1 . . . . B 45 PHE CB . 36759 1 207 . 2 . 2 45 45 PHE N N 15 125.49 0.10 . 1 . . . . B 45 PHE N . 36759 1 208 . 2 . 2 46 46 ALA H H 1 8.84 0.01 . 1 . . . . B 46 ALA H . 36759 1 209 . 2 . 2 46 46 ALA C C 13 177.22 0.10 . 1 . . . . B 46 ALA C . 36759 1 210 . 2 . 2 46 46 ALA CA C 13 52.57 0.10 . 1 . . . . B 46 ALA CA . 36759 1 211 . 2 . 2 46 46 ALA CB C 13 16.53 0.10 . 1 . . . . B 46 ALA CB . 36759 1 212 . 2 . 2 46 46 ALA N N 15 132.61 0.10 . 1 . . . . B 46 ALA N . 36759 1 213 . 2 . 2 47 47 GLY H H 1 8.12 0.01 . 1 . . . . B 47 GLY H . 36759 1 214 . 2 . 2 47 47 GLY C C 13 173.68 0.10 . 1 . . . . B 47 GLY C . 36759 1 215 . 2 . 2 47 47 GLY CA C 13 45.38 0.10 . 1 . . . . B 47 GLY CA . 36759 1 216 . 2 . 2 47 47 GLY N N 15 102.53 0.10 . 1 . . . . B 47 GLY N . 36759 1 217 . 2 . 2 48 48 LYS H H 1 7.97 0.01 . 1 . . . . B 48 LYS H . 36759 1 218 . 2 . 2 48 48 LYS C C 13 174.56 0.10 . 1 . . . . B 48 LYS C . 36759 1 219 . 2 . 2 48 48 LYS CA C 13 54.60 0.10 . 1 . . . . B 48 LYS CA . 36759 1 220 . 2 . 2 48 48 LYS CB C 13 34.46 0.10 . 1 . . . . B 48 LYS CB . 36759 1 221 . 2 . 2 48 48 LYS N N 15 121.91 0.10 . 1 . . . . B 48 LYS N . 36759 1 222 . 2 . 2 49 49 GLN H H 1 8.61 0.01 . 1 . . . . B 49 GLN H . 36759 1 223 . 2 . 2 49 49 GLN C C 13 175.55 0.10 . 1 . . . . B 49 GLN C . 36759 1 224 . 2 . 2 49 49 GLN CA C 13 55.81 0.10 . 1 . . . . B 49 GLN CA . 36759 1 225 . 2 . 2 49 49 GLN CB C 13 29.09 0.10 . 1 . . . . B 49 GLN CB . 36759 1 226 . 2 . 2 49 49 GLN N N 15 122.87 0.10 . 1 . . . . B 49 GLN N . 36759 1 227 . 2 . 2 50 50 LEU H H 1 8.54 0.01 . 1 . . . . B 50 LEU H . 36759 1 228 . 2 . 2 50 50 LEU C C 13 176.57 0.10 . 1 . . . . B 50 LEU C . 36759 1 229 . 2 . 2 50 50 LEU CA C 13 54.25 0.10 . 1 . . . . B 50 LEU CA . 36759 1 230 . 2 . 2 50 50 LEU CB C 13 41.33 0.10 . 1 . . . . B 50 LEU CB . 36759 1 231 . 2 . 2 50 50 LEU N N 15 125.81 0.10 . 1 . . . . B 50 LEU N . 36759 1 232 . 2 . 2 51 51 GLU H H 1 8.39 0.01 . 1 . . . . B 51 GLU H . 36759 1 233 . 2 . 2 51 51 GLU C C 13 175.56 0.10 . 1 . . . . B 51 GLU C . 36759 1 234 . 2 . 2 51 51 GLU CA C 13 55.96 0.10 . 1 . . . . B 51 GLU CA . 36759 1 235 . 2 . 2 51 51 GLU CB C 13 31.77 0.10 . 1 . . . . B 51 GLU CB . 36759 1 236 . 2 . 2 51 51 GLU N N 15 123.23 0.10 . 1 . . . . B 51 GLU N . 36759 1 237 . 2 . 2 52 52 ASP H H 1 8.15 0.01 . 1 . . . . B 52 ASP H . 36759 1 238 . 2 . 2 52 52 ASP CA C 13 56.71 0.10 . 1 . . . . B 52 ASP CA . 36759 1 239 . 2 . 2 52 52 ASP CB C 13 40.73 0.10 . 1 . . . . B 52 ASP CB . 36759 1 240 . 2 . 2 52 52 ASP N N 15 120.38 0.10 . 1 . . . . B 52 ASP N . 36759 1 241 . 2 . 2 53 53 GLY C C 13 174.74 0.10 . 1 . . . . B 53 GLY C . 36759 1 242 . 2 . 2 53 53 GLY CA C 13 45.17 0.10 . 1 . . . . B 53 GLY CA . 36759 1 243 . 2 . 2 54 54 ARG H H 1 7.45 0.01 . 1 . . . . B 54 ARG H . 36759 1 244 . 2 . 2 54 54 ARG C C 13 175.27 0.10 . 1 . . . . B 54 ARG C . 36759 1 245 . 2 . 2 54 54 ARG CA C 13 54.29 0.10 . 1 . . . . B 54 ARG CA . 36759 1 246 . 2 . 2 54 54 ARG CB C 13 32.69 0.10 . 1 . . . . B 54 ARG CB . 36759 1 247 . 2 . 2 54 54 ARG N N 15 119.38 0.10 . 1 . . . . B 54 ARG N . 36759 1 248 . 2 . 2 55 55 THR H H 1 8.78 0.01 . 1 . . . . B 55 THR H . 36759 1 249 . 2 . 2 55 55 THR C C 13 176.46 0.10 . 1 . . . . B 55 THR C . 36759 1 250 . 2 . 2 55 55 THR CA C 13 59.70 0.10 . 1 . . . . B 55 THR CA . 36759 1 251 . 2 . 2 55 55 THR CB C 13 72.28 0.10 . 1 . . . . B 55 THR CB . 36759 1 252 . 2 . 2 55 55 THR N N 15 108.82 0.10 . 1 . . . . B 55 THR N . 36759 1 253 . 2 . 2 56 56 LEU H H 1 8.14 0.01 . 1 . . . . B 56 LEU H . 36759 1 254 . 2 . 2 56 56 LEU C C 13 180.74 0.10 . 1 . . . . B 56 LEU C . 36759 1 255 . 2 . 2 56 56 LEU CA C 13 58.68 0.10 . 1 . . . . B 56 LEU CA . 36759 1 256 . 2 . 2 56 56 LEU CB C 13 40.25 0.10 . 1 . . . . B 56 LEU CB . 36759 1 257 . 2 . 2 56 56 LEU N N 15 118.13 0.10 . 1 . . . . B 56 LEU N . 36759 1 258 . 2 . 2 57 57 SER H H 1 8.47 0.01 . 1 . . . . B 57 SER H . 36759 1 259 . 2 . 2 57 57 SER C C 13 178.25 0.10 . 1 . . . . B 57 SER C . 36759 1 260 . 2 . 2 57 57 SER CA C 13 61.12 0.10 . 1 . . . . B 57 SER CA . 36759 1 261 . 2 . 2 57 57 SER CB C 13 62.45 0.10 . 1 . . . . B 57 SER CB . 36759 1 262 . 2 . 2 57 57 SER N N 15 113.70 0.10 . 1 . . . . B 57 SER N . 36759 1 263 . 2 . 2 58 58 ASP H H 1 7.93 0.01 . 1 . . . . B 58 ASP H . 36759 1 264 . 2 . 2 58 58 ASP C C 13 177.36 0.10 . 1 . . . . B 58 ASP C . 36759 1 265 . 2 . 2 58 58 ASP CA C 13 57.35 0.10 . 1 . . . . B 58 ASP CA . 36759 1 266 . 2 . 2 58 58 ASP CB C 13 40.25 0.10 . 1 . . . . B 58 ASP CB . 36759 1 267 . 2 . 2 58 58 ASP N N 15 124.57 0.10 . 1 . . . . B 58 ASP N . 36759 1 268 . 2 . 2 59 59 TYR H H 1 7.25 0.01 . 1 . . . . B 59 TYR H . 36759 1 269 . 2 . 2 59 59 TYR C C 13 174.61 0.10 . 1 . . . . B 59 TYR C . 36759 1 270 . 2 . 2 59 59 TYR CA C 13 58.26 0.10 . 1 . . . . B 59 TYR CA . 36759 1 271 . 2 . 2 59 59 TYR CB C 13 39.98 0.10 . 1 . . . . B 59 TYR CB . 36759 1 272 . 2 . 2 59 59 TYR N N 15 115.83 0.10 . 1 . . . . B 59 TYR N . 36759 1 273 . 2 . 2 60 60 ASN H H 1 8.15 0.01 . 1 . . . . B 60 ASN H . 36759 1 274 . 2 . 2 60 60 ASN C C 13 174.24 0.10 . 1 . . . . B 60 ASN C . 36759 1 275 . 2 . 2 60 60 ASN CA C 13 54.14 0.10 . 1 . . . . B 60 ASN CA . 36759 1 276 . 2 . 2 60 60 ASN CB C 13 37.39 0.10 . 1 . . . . B 60 ASN CB . 36759 1 277 . 2 . 2 60 60 ASN N N 15 116.14 0.10 . 1 . . . . B 60 ASN N . 36759 1 278 . 2 . 2 61 61 ILE H H 1 7.24 0.01 . 1 . . . . B 61 ILE H . 36759 1 279 . 2 . 2 61 61 ILE C C 13 174.48 0.10 . 1 . . . . B 61 ILE C . 36759 1 280 . 2 . 2 61 61 ILE CA C 13 62.42 0.10 . 1 . . . . B 61 ILE CA . 36759 1 281 . 2 . 2 61 61 ILE CB C 13 36.66 0.10 . 1 . . . . B 61 ILE CB . 36759 1 282 . 2 . 2 61 61 ILE N N 15 118.93 0.10 . 1 . . . . B 61 ILE N . 36759 1 283 . 2 . 2 62 62 GLN H H 1 7.61 0.01 . 1 . . . . B 62 GLN H . 36759 1 284 . 2 . 2 62 62 GLN C C 13 175.80 0.10 . 1 . . . . B 62 GLN C . 36759 1 285 . 2 . 2 62 62 GLN CA C 13 53.62 0.10 . 1 . . . . B 62 GLN CA . 36759 1 286 . 2 . 2 62 62 GLN CB C 13 31.61 0.10 . 1 . . . . B 62 GLN CB . 36759 1 287 . 2 . 2 62 62 GLN N N 15 125.01 0.10 . 1 . . . . B 62 GLN N . 36759 1 288 . 2 . 2 63 63 LYS H H 1 8.50 0.01 . 1 . . . . B 63 LYS H . 36759 1 289 . 2 . 2 63 63 LYS C C 13 175.70 0.10 . 1 . . . . B 63 LYS C . 36759 1 290 . 2 . 2 63 63 LYS CA C 13 57.86 0.10 . 1 . . . . B 63 LYS CA . 36759 1 291 . 2 . 2 63 63 LYS CB C 13 32.59 0.10 . 1 . . . . B 63 LYS CB . 36759 1 292 . 2 . 2 63 63 LYS N N 15 120.67 0.10 . 1 . . . . B 63 LYS N . 36759 1 293 . 2 . 2 64 64 GLU H H 1 9.30 0.01 . 1 . . . . B 64 GLU H . 36759 1 294 . 2 . 2 64 64 GLU C C 13 175.16 0.10 . 1 . . . . B 64 GLU C . 36759 1 295 . 2 . 2 64 64 GLU CA C 13 58.23 0.10 . 1 . . . . B 64 GLU CA . 36759 1 296 . 2 . 2 64 64 GLU CB C 13 25.98 0.10 . 1 . . . . B 64 GLU CB . 36759 1 297 . 2 . 2 64 64 GLU N N 15 114.47 0.10 . 1 . . . . B 64 GLU N . 36759 1 298 . 2 . 2 65 65 SER H H 1 7.66 0.01 . 1 . . . . B 65 SER H . 36759 1 299 . 2 . 2 65 65 SER C C 13 172.03 0.10 . 1 . . . . B 65 SER C . 36759 1 300 . 2 . 2 65 65 SER CA C 13 60.94 0.10 . 1 . . . . B 65 SER CA . 36759 1 301 . 2 . 2 65 65 SER CB C 13 64.89 0.10 . 1 . . . . B 65 SER CB . 36759 1 302 . 2 . 2 65 65 SER N N 15 115.03 0.10 . 1 . . . . B 65 SER N . 36759 1 303 . 2 . 2 66 66 THR H H 1 8.73 0.01 . 1 . . . . B 66 THR H . 36759 1 304 . 2 . 2 66 66 THR C C 13 173.80 0.10 . 1 . . . . B 66 THR C . 36759 1 305 . 2 . 2 66 66 THR CA C 13 62.44 0.10 . 1 . . . . B 66 THR CA . 36759 1 306 . 2 . 2 66 66 THR CB C 13 70.08 0.10 . 1 . . . . B 66 THR CB . 36759 1 307 . 2 . 2 66 66 THR N N 15 117.41 0.10 . 1 . . . . B 66 THR N . 36759 1 308 . 2 . 2 67 67 LEU H H 1 9.41 0.01 . 1 . . . . B 67 LEU H . 36759 1 309 . 2 . 2 67 67 LEU C C 13 175.54 0.10 . 1 . . . . B 67 LEU C . 36759 1 310 . 2 . 2 67 67 LEU CA C 13 53.84 0.10 . 1 . . . . B 67 LEU CA . 36759 1 311 . 2 . 2 67 67 LEU CB C 13 44.31 0.10 . 1 . . . . B 67 LEU CB . 36759 1 312 . 2 . 2 67 67 LEU N N 15 127.56 0.10 . 1 . . . . B 67 LEU N . 36759 1 313 . 2 . 2 68 68 HIS H H 1 9.21 0.01 . 1 . . . . B 68 HIS H . 36759 1 314 . 2 . 2 68 68 HIS C C 13 173.22 0.10 . 1 . . . . B 68 HIS C . 36759 1 315 . 2 . 2 68 68 HIS CA C 13 55.42 0.10 . 1 . . . . B 68 HIS CA . 36759 1 316 . 2 . 2 68 68 HIS CB C 13 31.20 0.10 . 1 . . . . B 68 HIS CB . 36759 1 317 . 2 . 2 68 68 HIS N N 15 118.79 0.10 . 1 . . . . B 68 HIS N . 36759 1 318 . 2 . 2 69 69 LEU H H 1 8.31 0.01 . 1 . . . . B 69 LEU H . 36759 1 319 . 2 . 2 69 69 LEU C C 13 175.24 0.10 . 1 . . . . B 69 LEU C . 36759 1 320 . 2 . 2 69 69 LEU CA C 13 53.88 0.10 . 1 . . . . B 69 LEU CA . 36759 1 321 . 2 . 2 69 69 LEU CB C 13 44.27 0.10 . 1 . . . . B 69 LEU CB . 36759 1 322 . 2 . 2 69 69 LEU N N 15 124.46 0.10 . 1 . . . . B 69 LEU N . 36759 1 323 . 2 . 2 70 70 VAL H H 1 9.19 0.01 . 1 . . . . B 70 VAL H . 36759 1 324 . 2 . 2 70 70 VAL C C 13 173.93 0.10 . 1 . . . . B 70 VAL C . 36759 1 325 . 2 . 2 70 70 VAL CA C 13 60.66 0.10 . 1 . . . . B 70 VAL CA . 36759 1 326 . 2 . 2 70 70 VAL CB C 13 34.84 0.10 . 1 . . . . B 70 VAL CB . 36759 1 327 . 2 . 2 70 70 VAL N N 15 126.99 0.10 . 1 . . . . B 70 VAL N . 36759 1 328 . 2 . 2 71 71 LEU H H 1 8.12 0.01 . 1 . . . . B 71 LEU H . 36759 1 329 . 2 . 2 71 71 LEU C C 13 177.79 0.10 . 1 . . . . B 71 LEU C . 36759 1 330 . 2 . 2 71 71 LEU CA C 13 54.00 0.10 . 1 . . . . B 71 LEU CA . 36759 1 331 . 2 . 2 71 71 LEU CB C 13 42.80 0.10 . 1 . . . . B 71 LEU CB . 36759 1 332 . 2 . 2 71 71 LEU N N 15 123.27 0.10 . 1 . . . . B 71 LEU N . 36759 1 333 . 2 . 2 72 72 ARG H H 1 8.59 0.01 . 1 . . . . B 72 ARG H . 36759 1 334 . 2 . 2 72 72 ARG C C 13 175.28 0.10 . 1 . . . . B 72 ARG C . 36759 1 335 . 2 . 2 72 72 ARG CA C 13 55.71 0.10 . 1 . . . . B 72 ARG CA . 36759 1 336 . 2 . 2 72 72 ARG CB C 13 31.34 0.10 . 1 . . . . B 72 ARG CB . 36759 1 337 . 2 . 2 72 72 ARG N N 15 123.81 0.10 . 1 . . . . B 72 ARG N . 36759 1 338 . 2 . 2 73 73 LEU H H 1 8.34 0.01 . 1 . . . . B 73 LEU H . 36759 1 339 . 2 . 2 73 73 LEU C C 13 177.39 0.10 . 1 . . . . B 73 LEU C . 36759 1 340 . 2 . 2 73 73 LEU CA C 13 54.83 0.10 . 1 . . . . B 73 LEU CA . 36759 1 341 . 2 . 2 73 73 LEU CB C 13 42.46 0.10 . 1 . . . . B 73 LEU CB . 36759 1 342 . 2 . 2 73 73 LEU N N 15 124.56 0.10 . 1 . . . . B 73 LEU N . 36759 1 343 . 2 . 2 74 74 ARG H H 1 8.42 0.01 . 1 . . . . B 74 ARG H . 36759 1 344 . 2 . 2 74 74 ARG C C 13 176.84 0.10 . 1 . . . . B 74 ARG C . 36759 1 345 . 2 . 2 74 74 ARG CA C 13 56.64 0.10 . 1 . . . . B 74 ARG CA . 36759 1 346 . 2 . 2 74 74 ARG CB C 13 30.59 0.10 . 1 . . . . B 74 ARG CB . 36759 1 347 . 2 . 2 74 74 ARG N N 15 121.94 0.10 . 1 . . . . B 74 ARG N . 36759 1 348 . 2 . 2 75 75 GLY H H 1 8.47 0.01 . 1 . . . . B 75 GLY H . 36759 1 349 . 2 . 2 75 75 GLY C C 13 173.58 0.10 . 1 . . . . B 75 GLY C . 36759 1 350 . 2 . 2 75 75 GLY CA C 13 45.24 0.10 . 1 . . . . B 75 GLY CA . 36759 1 351 . 2 . 2 75 75 GLY N N 15 111.16 0.10 . 1 . . . . B 75 GLY N . 36759 1 352 . 2 . 2 76 76 GLY H H 1 7.93 0.01 . 1 . . . . B 76 GLY H . 36759 1 353 . 2 . 2 76 76 GLY CA C 13 46.03 0.10 . 1 . . . . B 76 GLY CA . 36759 1 354 . 2 . 2 76 76 GLY N N 15 115.08 0.10 . 1 . . . . B 76 GLY N . 36759 1 stop_ save_