data_12026 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12026 _Entry.Title ; NMR resonance assignments of the NZF domain of mouse HOIL-1L in free form and linear di-ubiquitin-bound form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-19 _Entry.Accession_date 2018-10-31 _Entry.Last_release_date 2018-10-31 _Entry.Original_release_date 2018-10-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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 Naoki Ishii . . . . 12026 2 Erik Walinda . . . . 12026 3 Naoto Iwakawa . . . . 12026 4 Daichi Morimoto . . . . 12026 5 Kazuhiro Iwai . . . . 12026 6 Kenji Sugase . . . . 12026 7 Masahiro Shirakawa . . . . 12026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 12026 '15N chemical shifts' 55 12026 '1H chemical shifts' 55 12026 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 . . 2018-11-09 . original BMRB . 12026 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3B08 'The same molecular assembly' 12026 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12026 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the NZF domain of mouse HOIL-1L in free form and linear di-ubiquitin-bound form ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Naoki Ishii . . . . 12026 1 2 Erik Walinda . . . . 12026 1 3 Naoto Iwakawa . . . . 12026 1 4 Daichi Morimoto . . . . 12026 1 5 Kazuhiro Iwai . . . . 12026 1 6 Kenji Sugase . . . . 12026 1 7 Masahiro Shirakawa . . . . 12026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12026 _Assembly.ID 1 _Assembly.Name 'NZF domain in linear di-ubiquitin-bound form' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 HOIL-1L 1 $NZF_domain A . yes native no yes . . 'The bound NZF is in intermediate exchange with the free form' 12026 1 2 ZN 2 $entity_ZN A . no native no no . . 'One out of five cysteines of the NZF domain is free and the others coordinate a zinc ion.' 12026 1 3 'linear di-ubiquitin' 3 $linear_di-ubiquitin A . no native no yes . . . 12026 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 HOIL-1L 1 CYS 13 13 SG . 2 ZN 2 ZN 1 1 ZN . . . 197 CYS . . . . 1 ZN . 12026 1 2 'metal coordination' single . 1 HOIL-1L 1 CYS 16 16 SG . 2 ZN 2 ZN 1 1 ZN . . . 200 CYS . . . . 1 ZN . 12026 1 3 'metal coordination' single . 1 HOIL-1L 1 CYS 27 27 SG . 2 ZN 2 ZN 1 1 ZN . . . 211 CYS . . . . 1 ZN . 12026 1 4 'metal coordination' single . 1 HOIL-1L 1 CYS 30 30 SG . 2 ZN 2 ZN 1 1 ZN . . . 214 CYS . . . . 1 ZN . 12026 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3b08 . . 'X-ray crystallography' 1.701 . . 12026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NZF_domain _Entity.Sf_category entity _Entity.Sf_framecode NZF_domain _Entity.Entry_ID 12026 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NZF_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEPVGWQCPGCTFIN KPTRPGCEMCCRARPETYQI PASYQPDEEERARLAGEEEA LRQYQQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'One out of five cysteines is free and the others coordinate a zinc ion.' _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 1 GLY . 12026 1 2 2 PRO . 12026 1 3 3 LEU . 12026 1 4 4 GLY . 12026 1 5 5 SER . 12026 1 6 6 PRO . 12026 1 7 7 GLU . 12026 1 8 8 PRO . 12026 1 9 9 VAL . 12026 1 10 10 GLY . 12026 1 11 11 TRP . 12026 1 12 12 GLN . 12026 1 13 13 CYS . 12026 1 14 14 PRO . 12026 1 15 15 GLY . 12026 1 16 16 CYS . 12026 1 17 17 THR . 12026 1 18 18 PHE . 12026 1 19 19 ILE . 12026 1 20 20 ASN . 12026 1 21 21 LYS . 12026 1 22 22 PRO . 12026 1 23 23 THR . 12026 1 24 24 ARG . 12026 1 25 25 PRO . 12026 1 26 26 GLY . 12026 1 27 27 CYS . 12026 1 28 28 GLU . 12026 1 29 29 MET . 12026 1 30 30 CYS . 12026 1 31 31 CYS . 12026 1 32 32 ARG . 12026 1 33 33 ALA . 12026 1 34 34 ARG . 12026 1 35 35 PRO . 12026 1 36 36 GLU . 12026 1 37 37 THR . 12026 1 38 38 TYR . 12026 1 39 39 GLN . 12026 1 40 40 ILE . 12026 1 41 41 PRO . 12026 1 42 42 ALA . 12026 1 43 43 SER . 12026 1 44 44 TYR . 12026 1 45 45 GLN . 12026 1 46 46 PRO . 12026 1 47 47 ASP . 12026 1 48 48 GLU . 12026 1 49 49 GLU . 12026 1 50 50 GLU . 12026 1 51 51 ARG . 12026 1 52 52 ALA . 12026 1 53 53 ARG . 12026 1 54 54 LEU . 12026 1 55 55 ALA . 12026 1 56 56 GLY . 12026 1 57 57 GLU . 12026 1 58 58 GLU . 12026 1 59 59 GLU . 12026 1 60 60 ALA . 12026 1 61 61 LEU . 12026 1 62 62 ARG . 12026 1 63 63 GLN . 12026 1 64 64 TYR . 12026 1 65 65 GLN . 12026 1 66 66 GLN . 12026 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 12026 1 . PRO 2 2 12026 1 . LEU 3 3 12026 1 . GLY 4 4 12026 1 . SER 5 5 12026 1 . PRO 6 6 12026 1 . GLU 7 7 12026 1 . PRO 8 8 12026 1 . VAL 9 9 12026 1 . GLY 10 10 12026 1 . TRP 11 11 12026 1 . GLN 12 12 12026 1 . CYS 13 13 12026 1 . PRO 14 14 12026 1 . GLY 15 15 12026 1 . CYS 16 16 12026 1 . THR 17 17 12026 1 . PHE 18 18 12026 1 . ILE 19 19 12026 1 . ASN 20 20 12026 1 . LYS 21 21 12026 1 . PRO 22 22 12026 1 . THR 23 23 12026 1 . ARG 24 24 12026 1 . PRO 25 25 12026 1 . GLY 26 26 12026 1 . CYS 27 27 12026 1 . GLU 28 28 12026 1 . MET 29 29 12026 1 . CYS 30 30 12026 1 . CYS 31 31 12026 1 . ARG 32 32 12026 1 . ALA 33 33 12026 1 . ARG 34 34 12026 1 . PRO 35 35 12026 1 . GLU 36 36 12026 1 . THR 37 37 12026 1 . TYR 38 38 12026 1 . GLN 39 39 12026 1 . ILE 40 40 12026 1 . PRO 41 41 12026 1 . ALA 42 42 12026 1 . SER 43 43 12026 1 . TYR 44 44 12026 1 . GLN 45 45 12026 1 . PRO 46 46 12026 1 . ASP 47 47 12026 1 . GLU 48 48 12026 1 . GLU 49 49 12026 1 . GLU 50 50 12026 1 . ARG 51 51 12026 1 . ALA 52 52 12026 1 . ARG 53 53 12026 1 . LEU 54 54 12026 1 . ALA 55 55 12026 1 . GLY 56 56 12026 1 . GLU 57 57 12026 1 . GLU 58 58 12026 1 . GLU 59 59 12026 1 . ALA 60 60 12026 1 . LEU 61 61 12026 1 . ARG 62 62 12026 1 . GLN 63 63 12026 1 . TYR 64 64 12026 1 . GLN 65 65 12026 1 . GLN 66 66 12026 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 12026 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 12026 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 12026 2 ZN 'Three letter code' 12026 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 12026 2 stop_ save_ save_linear_di-ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode linear_di-ubiquitin _Entity.Entry_ID 12026 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 'linear di-ubiquitin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGMQIFVKTLTGKTITLE VEPSDTIENVKAKIQDKEGI PPDQQRLIFAGKQLEDGRTL SDYNIQKESTLHLVLRLRGG MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Retrieved from PDB 3B08, then verified by the author' _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 1 GLY . 12026 3 2 2 PRO . 12026 3 3 3 LEU . 12026 3 4 4 GLY . 12026 3 5 5 MET . 12026 3 6 6 GLN . 12026 3 7 7 ILE . 12026 3 8 8 PHE . 12026 3 9 9 VAL . 12026 3 10 1 LYS . 12026 3 11 1 THR . 12026 3 12 1 LEU . 12026 3 13 1 THR . 12026 3 14 14 GLY . 12026 3 15 15 LYS . 12026 3 16 16 THR . 12026 3 17 17 ILE . 12026 3 18 18 THR . 12026 3 19 19 LEU . 12026 3 20 20 GLU . 12026 3 21 21 VAL . 12026 3 22 22 GLU . 12026 3 23 23 PRO . 12026 3 24 24 SER . 12026 3 25 25 ASP . 12026 3 26 26 THR . 12026 3 27 27 ILE . 12026 3 28 28 GLU . 12026 3 29 29 ASN . 12026 3 30 30 VAL . 12026 3 31 31 LYS . 12026 3 32 32 ALA . 12026 3 33 33 LYS . 12026 3 34 34 ILE . 12026 3 35 35 GLN . 12026 3 36 36 ASP . 12026 3 37 37 LYS . 12026 3 38 38 GLU . 12026 3 39 39 GLY . 12026 3 40 40 ILE . 12026 3 41 41 PRO . 12026 3 42 42 PRO . 12026 3 43 43 ASP . 12026 3 44 44 GLN . 12026 3 45 45 GLN . 12026 3 46 46 ARG . 12026 3 47 47 LEU . 12026 3 48 48 ILE . 12026 3 49 49 PHE . 12026 3 50 50 ALA . 12026 3 51 51 GLY . 12026 3 52 52 LYS . 12026 3 53 53 GLN . 12026 3 54 54 LEU . 12026 3 55 55 GLU . 12026 3 56 56 ASP . 12026 3 57 57 GLY . 12026 3 58 58 ARG . 12026 3 59 59 THR . 12026 3 60 60 LEU . 12026 3 61 61 SER . 12026 3 62 62 ASP . 12026 3 63 63 TYR . 12026 3 64 64 ASN . 12026 3 65 65 ILE . 12026 3 66 66 GLN . 12026 3 67 67 LYS . 12026 3 68 68 GLU . 12026 3 69 69 SER . 12026 3 70 70 THR . 12026 3 71 71 LEU . 12026 3 72 72 HIS . 12026 3 73 73 LEU . 12026 3 74 74 VAL . 12026 3 75 75 LEU . 12026 3 76 76 ARG . 12026 3 77 77 LEU . 12026 3 78 78 ARG . 12026 3 79 79 GLY . 12026 3 80 80 GLY . 12026 3 81 81 MET . 12026 3 82 82 GLN . 12026 3 83 83 ILE . 12026 3 84 84 PHE . 12026 3 85 85 VAL . 12026 3 86 86 LYS . 12026 3 87 87 THR . 12026 3 88 88 LEU . 12026 3 89 89 THR . 12026 3 90 90 GLY . 12026 3 91 91 LYS . 12026 3 92 92 THR . 12026 3 93 93 ILE . 12026 3 94 94 THR . 12026 3 95 95 LEU . 12026 3 96 96 GLU . 12026 3 97 97 VAL . 12026 3 98 98 GLU . 12026 3 99 99 PRO . 12026 3 100 10 SER . 12026 3 101 10 ASP . 12026 3 102 10 THR . 12026 3 103 10 ILE . 12026 3 104 104 GLU . 12026 3 105 105 ASN . 12026 3 106 106 VAL . 12026 3 107 107 LYS . 12026 3 108 108 ALA . 12026 3 109 109 LYS . 12026 3 110 110 ILE . 12026 3 111 111 GLN . 12026 3 112 112 ASP . 12026 3 113 113 LYS . 12026 3 114 114 GLU . 12026 3 115 115 GLY . 12026 3 116 116 ILE . 12026 3 117 117 PRO . 12026 3 118 118 PRO . 12026 3 119 119 ASP . 12026 3 120 120 GLN . 12026 3 121 121 GLN . 12026 3 122 122 ARG . 12026 3 123 123 LEU . 12026 3 124 124 ILE . 12026 3 125 125 PHE . 12026 3 126 126 ALA . 12026 3 127 127 GLY . 12026 3 128 128 LYS . 12026 3 129 129 GLN . 12026 3 130 130 LEU . 12026 3 131 131 GLU . 12026 3 132 132 ASP . 12026 3 133 133 GLY . 12026 3 134 134 ARG . 12026 3 135 135 THR . 12026 3 136 136 LEU . 12026 3 137 137 SER . 12026 3 138 138 ASP . 12026 3 139 139 TYR . 12026 3 140 140 ASN . 12026 3 141 141 ILE . 12026 3 142 142 GLN . 12026 3 143 143 LYS . 12026 3 144 144 GLU . 12026 3 145 145 SER . 12026 3 146 146 THR . 12026 3 147 147 LEU . 12026 3 148 148 HIS . 12026 3 149 149 LEU . 12026 3 150 150 VAL . 12026 3 151 151 LEU . 12026 3 152 152 ARG . 12026 3 153 153 LEU . 12026 3 154 154 ARG . 12026 3 155 155 ALA . 12026 3 156 156 ALA . 12026 3 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 12026 3 . PRO 2 2 12026 3 . LEU 3 3 12026 3 . GLY 4 4 12026 3 . MET 5 5 12026 3 . GLN 6 6 12026 3 . ILE 7 7 12026 3 . PHE 8 8 12026 3 . VAL 9 9 12026 3 . LYS 10 10 12026 3 . THR 11 11 12026 3 . LEU 12 12 12026 3 . THR 13 13 12026 3 . GLY 14 14 12026 3 . LYS 15 15 12026 3 . THR 16 16 12026 3 . ILE 17 17 12026 3 . THR 18 18 12026 3 . LEU 19 19 12026 3 . GLU 20 20 12026 3 . VAL 21 21 12026 3 . GLU 22 22 12026 3 . PRO 23 23 12026 3 . SER 24 24 12026 3 . ASP 25 25 12026 3 . THR 26 26 12026 3 . ILE 27 27 12026 3 . GLU 28 28 12026 3 . ASN 29 29 12026 3 . VAL 30 30 12026 3 . LYS 31 31 12026 3 . ALA 32 32 12026 3 . LYS 33 33 12026 3 . ILE 34 34 12026 3 . GLN 35 35 12026 3 . ASP 36 36 12026 3 . LYS 37 37 12026 3 . GLU 38 38 12026 3 . GLY 39 39 12026 3 . ILE 40 40 12026 3 . PRO 41 41 12026 3 . PRO 42 42 12026 3 . ASP 43 43 12026 3 . GLN 44 44 12026 3 . GLN 45 45 12026 3 . ARG 46 46 12026 3 . LEU 47 47 12026 3 . ILE 48 48 12026 3 . PHE 49 49 12026 3 . ALA 50 50 12026 3 . GLY 51 51 12026 3 . LYS 52 52 12026 3 . GLN 53 53 12026 3 . LEU 54 54 12026 3 . GLU 55 55 12026 3 . ASP 56 56 12026 3 . GLY 57 57 12026 3 . ARG 58 58 12026 3 . THR 59 59 12026 3 . LEU 60 60 12026 3 . SER 61 61 12026 3 . ASP 62 62 12026 3 . TYR 63 63 12026 3 . ASN 64 64 12026 3 . ILE 65 65 12026 3 . GLN 66 66 12026 3 . LYS 67 67 12026 3 . GLU 68 68 12026 3 . SER 69 69 12026 3 . THR 70 70 12026 3 . LEU 71 71 12026 3 . HIS 72 72 12026 3 . LEU 73 73 12026 3 . VAL 74 74 12026 3 . LEU 75 75 12026 3 . ARG 76 76 12026 3 . LEU 77 77 12026 3 . ARG 78 78 12026 3 . GLY 79 79 12026 3 . GLY 80 80 12026 3 . MET 81 81 12026 3 . GLN 82 82 12026 3 . ILE 83 83 12026 3 . PHE 84 84 12026 3 . VAL 85 85 12026 3 . LYS 86 86 12026 3 . THR 87 87 12026 3 . LEU 88 88 12026 3 . THR 89 89 12026 3 . GLY 90 90 12026 3 . LYS 91 91 12026 3 . THR 92 92 12026 3 . ILE 93 93 12026 3 . THR 94 94 12026 3 . LEU 95 95 12026 3 . GLU 96 96 12026 3 . VAL 97 97 12026 3 . GLU 98 98 12026 3 . PRO 99 99 12026 3 . SER 100 100 12026 3 . ASP 101 101 12026 3 . THR 102 102 12026 3 . ILE 103 103 12026 3 . GLU 104 104 12026 3 . ASN 105 105 12026 3 . VAL 106 106 12026 3 . LYS 107 107 12026 3 . ALA 108 108 12026 3 . LYS 109 109 12026 3 . ILE 110 110 12026 3 . GLN 111 111 12026 3 . ASP 112 112 12026 3 . LYS 113 113 12026 3 . GLU 114 114 12026 3 . GLY 115 115 12026 3 . ILE 116 116 12026 3 . PRO 117 117 12026 3 . PRO 118 118 12026 3 . ASP 119 119 12026 3 . GLN 120 120 12026 3 . GLN 121 121 12026 3 . ARG 122 122 12026 3 . LEU 123 123 12026 3 . ILE 124 124 12026 3 . PHE 125 125 12026 3 . ALA 126 126 12026 3 . GLY 127 127 12026 3 . LYS 128 128 12026 3 . GLN 129 129 12026 3 . LEU 130 130 12026 3 . GLU 131 131 12026 3 . ASP 132 132 12026 3 . GLY 133 133 12026 3 . ARG 134 134 12026 3 . THR 135 135 12026 3 . LEU 136 136 12026 3 . SER 137 137 12026 3 . ASP 138 138 12026 3 . TYR 139 139 12026 3 . ASN 140 140 12026 3 . ILE 141 141 12026 3 . GLN 142 142 12026 3 . LYS 143 143 12026 3 . GLU 144 144 12026 3 . SER 145 145 12026 3 . THR 146 146 12026 3 . LEU 147 147 12026 3 . HIS 148 148 12026 3 . LEU 149 149 12026 3 . VAL 150 150 12026 3 . LEU 151 151 12026 3 . ARG 152 152 12026 3 . LEU 153 153 12026 3 . ARG 154 154 12026 3 . ALA 155 155 12026 3 . ALA 156 156 12026 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 12026 _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 $NZF_domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 12026 1 2 3 $linear_di-ubiquitin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 12026 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 12026 _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 $NZF_domain . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pGEX-6P-1 . . . 12026 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 12026 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 12026 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 12026 ZN [Zn++] SMILES CACTVS 3.341 12026 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 12026 ZN [Zn+2] SMILES ACDLabs 10.04 12026 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 12026 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 12026 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 12026 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 12026 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 12026 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12026 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'NZF domain' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $NZF_domain . protein 0.5 . . mM . . . . 12026 1 2 'linear di-ubiquitin' 'natural abundance' 1 $assembly 3 $linear_di-ubiquitin . protein 2.0 . . mM . . . . 12026 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 12026 1 4 HEPES 'natural abundance' . . . . . buffer 20 . . mM . . . . 12026 1 5 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 12026 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 12026 1 7 D2O '[U-100% 2H]' . . . . . solvent 5 . . % . . . . 12026 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 12026 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 12026 1 pressure 1 . atm 12026 1 temperature 298 . K 12026 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 12026 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 12026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 12026 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 12026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12026 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 700 . . . 12026 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 12026 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 8 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 9 '3D 15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12026 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12026 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 12026 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 12026 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 12026 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 12026 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' 1 $sample_1 isotropic 12026 1 2 '3D HNCO' 1 $sample_1 isotropic 12026 1 3 '3D HN(CA)CO' 1 $sample_1 isotropic 12026 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12026 1 5 '3D HNCACB' 1 $sample_1 isotropic 12026 1 6 '3D HNCA' 1 $sample_1 isotropic 12026 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 12026 1 8 '3D (H)CC(CO)NH' 1 $sample_1 isotropic 12026 1 9 '3D 15N NOESY-HSQC' 1 $sample_1 isotropic 12026 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.259 0.030 . 1 . . . . . 1 GLY H . 12026 1 2 . 1 1 1 1 GLY C C 13 172.859 0.300 . 1 . . . . . 1 GLY C . 12026 1 3 . 1 1 1 1 GLY CA C 13 45.103 0.300 . 1 . . . . . 1 GLY CA . 12026 1 4 . 1 1 1 1 GLY N N 15 109.241 0.300 . 1 . . . . . 1 GLY N . 12026 1 5 . 1 1 2 2 PRO C C 13 177.060 0.300 . 1 . . . . . 2 PRO C . 12026 1 6 . 1 1 2 2 PRO CA C 13 63.209 0.300 . 1 . . . . . 2 PRO CA . 12026 1 7 . 1 1 2 2 PRO CB C 13 32.229 0.300 . 1 . . . . . 2 PRO CB . 12026 1 8 . 1 1 3 3 LEU H H 1 8.543 0.030 . 1 . . . . . 3 LEU H . 12026 1 9 . 1 1 3 3 LEU C C 13 177.967 0.300 . 1 . . . . . 3 LEU C . 12026 1 10 . 1 1 3 3 LEU CA C 13 55.468 0.300 . 1 . . . . . 3 LEU CA . 12026 1 11 . 1 1 3 3 LEU CB C 13 42.188 0.300 . 1 . . . . . 3 LEU CB . 12026 1 12 . 1 1 3 3 LEU N N 15 122.450 0.300 . 1 . . . . . 3 LEU N . 12026 1 13 . 1 1 4 4 GLY H H 1 8.416 0.030 . 1 . . . . . 4 GLY H . 12026 1 14 . 1 1 4 4 GLY C C 13 173.912 0.300 . 1 . . . . . 4 GLY C . 12026 1 15 . 1 1 4 4 GLY CA C 13 45.104 0.300 . 1 . . . . . 4 GLY CA . 12026 1 16 . 1 1 4 4 GLY N N 15 109.784 0.300 . 1 . . . . . 4 GLY N . 12026 1 17 . 1 1 5 5 SER H H 1 8.134 0.030 . 1 . . . . . 5 SER H . 12026 1 18 . 1 1 5 5 SER C C 13 172.652 0.300 . 1 . . . . . 5 SER C . 12026 1 19 . 1 1 5 5 SER CA C 13 56.574 0.300 . 1 . . . . . 5 SER CA . 12026 1 20 . 1 1 5 5 SER CB C 13 63.199 0.300 . 1 . . . . . 5 SER CB . 12026 1 21 . 1 1 5 5 SER N N 15 116.952 0.300 . 1 . . . . . 5 SER N . 12026 1 22 . 1 1 6 6 PRO C C 13 176.766 0.300 . 1 . . . . . 6 PRO C . 12026 1 23 . 1 1 6 6 PRO CA C 13 63.080 0.300 . 1 . . . . . 6 PRO CA . 12026 1 24 . 1 1 6 6 PRO CB C 13 31.931 0.300 . 1 . . . . . 6 PRO CB . 12026 1 25 . 1 1 7 7 GLU H H 1 8.447 0.030 . 1 . . . . . 7 GLU H . 12026 1 26 . 1 1 7 7 GLU C C 13 174.668 0.300 . 1 . . . . . 7 GLU C . 12026 1 27 . 1 1 7 7 GLU CA C 13 54.409 0.300 . 1 . . . . . 7 GLU CA . 12026 1 28 . 1 1 7 7 GLU CB C 13 29.817 0.300 . 1 . . . . . 7 GLU CB . 12026 1 29 . 1 1 7 7 GLU N N 15 122.963 0.300 . 1 . . . . . 7 GLU N . 12026 1 30 . 1 1 8 8 PRO C C 13 176.343 0.300 . 1 . . . . . 8 PRO C . 12026 1 31 . 1 1 8 8 PRO CA C 13 62.980 0.300 . 1 . . . . . 8 PRO CA . 12026 1 32 . 1 1 8 8 PRO CB C 13 31.931 0.300 . 1 . . . . . 8 PRO CB . 12026 1 33 . 1 1 9 9 VAL H H 1 8.209 0.030 . 1 . . . . . 9 VAL H . 12026 1 34 . 1 1 9 9 VAL C C 13 175.629 0.300 . 1 . . . . . 9 VAL C . 12026 1 35 . 1 1 9 9 VAL CA C 13 62.195 0.300 . 1 . . . . . 9 VAL CA . 12026 1 36 . 1 1 9 9 VAL CB C 13 32.773 0.300 . 1 . . . . . 9 VAL CB . 12026 1 37 . 1 1 9 9 VAL N N 15 121.087 0.300 . 1 . . . . . 9 VAL N . 12026 1 38 . 1 1 10 10 GLY H H 1 7.941 0.030 . 1 . . . . . 10 GLY H . 12026 1 39 . 1 1 10 10 GLY C C 13 172.096 0.300 . 1 . . . . . 10 GLY C . 12026 1 40 . 1 1 10 10 GLY CA C 13 44.759 0.300 . 1 . . . . . 10 GLY CA . 12026 1 41 . 1 1 10 10 GLY N N 15 111.703 0.300 . 1 . . . . . 10 GLY N . 12026 1 42 . 1 1 11 11 TRP H H 1 7.612 0.030 . 1 . . . . . 11 TRP H . 12026 1 43 . 1 1 11 11 TRP C C 13 174.892 0.300 . 1 . . . . . 11 TRP C . 12026 1 44 . 1 1 11 11 TRP CA C 13 52.462 0.300 . 1 . . . . . 11 TRP CA . 12026 1 45 . 1 1 11 11 TRP CB C 13 28.508 0.300 . 1 . . . . . 11 TRP CB . 12026 1 46 . 1 1 11 11 TRP N N 15 115.125 0.300 . 1 . . . . . 11 TRP N . 12026 1 47 . 1 1 12 12 GLN H H 1 8.885 0.030 . 1 . . . . . 12 GLN H . 12026 1 48 . 1 1 12 12 GLN C C 13 175.322 0.300 . 1 . . . . . 12 GLN C . 12026 1 49 . 1 1 12 12 GLN CA C 13 55.126 0.300 . 1 . . . . . 12 GLN CA . 12026 1 50 . 1 1 12 12 GLN CB C 13 28.923 0.300 . 1 . . . . . 12 GLN CB . 12026 1 51 . 1 1 12 12 GLN N N 15 125.028 0.300 . 1 . . . . . 12 GLN N . 12026 1 52 . 1 1 13 13 CYS H H 1 9.020 0.030 . 1 . . . . . 13 CYS H . 12026 1 53 . 1 1 13 13 CYS CA C 13 57.608 0.300 . 1 . . . . . 13 CYS CA . 12026 1 54 . 1 1 13 13 CYS N N 15 133.700 0.300 . 1 . . . . . 13 CYS N . 12026 1 55 . 1 1 14 14 PRO C C 13 176.852 0.300 . 1 . . . . . 14 PRO C . 12026 1 56 . 1 1 14 14 PRO CA C 13 63.960 0.300 . 1 . . . . . 14 PRO CA . 12026 1 57 . 1 1 14 14 PRO CB C 13 32.229 0.300 . 1 . . . . . 14 PRO CB . 12026 1 58 . 1 1 15 15 GLY H H 1 9.659 0.030 . 1 . . . . . 15 GLY H . 12026 1 59 . 1 1 15 15 GLY C C 13 173.716 0.300 . 1 . . . . . 15 GLY C . 12026 1 60 . 1 1 15 15 GLY CA C 13 46.189 0.300 . 1 . . . . . 15 GLY CA . 12026 1 61 . 1 1 15 15 GLY N N 15 111.038 0.300 . 1 . . . . . 15 GLY N . 12026 1 62 . 1 1 16 16 CYS H H 1 8.517 0.030 . 1 . . . . . 16 CYS H . 12026 1 63 . 1 1 16 16 CYS C C 13 176.566 0.300 . 1 . . . . . 16 CYS C . 12026 1 64 . 1 1 16 16 CYS CA C 13 58.913 0.300 . 1 . . . . . 16 CYS CA . 12026 1 65 . 1 1 16 16 CYS N N 15 121.547 0.300 . 1 . . . . . 16 CYS N . 12026 1 66 . 1 1 17 17 THR H H 1 7.515 0.030 . 1 . . . . . 17 THR H . 12026 1 67 . 1 1 17 17 THR C C 13 172.426 0.300 . 1 . . . . . 17 THR C . 12026 1 68 . 1 1 17 17 THR CA C 13 65.721 0.300 . 1 . . . . . 17 THR CA . 12026 1 69 . 1 1 17 17 THR CB C 13 69.066 0.300 . 1 . . . . . 17 THR CB . 12026 1 70 . 1 1 17 17 THR N N 15 113.878 0.300 . 1 . . . . . 17 THR N . 12026 1 71 . 1 1 18 18 PHE H H 1 9.037 0.030 . 1 . . . . . 18 PHE H . 12026 1 72 . 1 1 18 18 PHE C C 13 174.464 0.300 . 1 . . . . . 18 PHE C . 12026 1 73 . 1 1 18 18 PHE CA C 13 60.294 0.300 . 1 . . . . . 18 PHE CA . 12026 1 74 . 1 1 18 18 PHE CB C 13 41.591 0.300 . 1 . . . . . 18 PHE CB . 12026 1 75 . 1 1 18 18 PHE N N 15 126.472 0.300 . 1 . . . . . 18 PHE N . 12026 1 76 . 1 1 19 19 ILE H H 1 7.189 0.030 . 1 . . . . . 19 ILE H . 12026 1 77 . 1 1 19 19 ILE CA C 13 60.774 0.300 . 1 . . . . . 19 ILE CA . 12026 1 78 . 1 1 19 19 ILE N N 15 125.904 0.300 . 1 . . . . . 19 ILE N . 12026 1 79 . 1 1 22 22 PRO C C 13 175.933 0.300 . 1 . . . . . 22 PRO C . 12026 1 80 . 1 1 22 22 PRO CA C 13 66.532 0.300 . 1 . . . . . 22 PRO CA . 12026 1 81 . 1 1 23 23 THR H H 1 6.844 0.030 . 1 . . . . . 23 THR H . 12026 1 82 . 1 1 23 23 THR C C 13 175.248 0.300 . 1 . . . . . 23 THR C . 12026 1 83 . 1 1 23 23 THR CA C 13 61.291 0.300 . 1 . . . . . 23 THR CA . 12026 1 84 . 1 1 23 23 THR CB C 13 68.602 0.300 . 1 . . . . . 23 THR CB . 12026 1 85 . 1 1 23 23 THR N N 15 96.548 0.300 . 1 . . . . . 23 THR N . 12026 1 86 . 1 1 24 24 ARG H H 1 8.240 0.030 . 1 . . . . . 24 ARG H . 12026 1 87 . 1 1 24 24 ARG CA C 13 54.376 0.300 . 1 . . . . . 24 ARG CA . 12026 1 88 . 1 1 24 24 ARG N N 15 127.541 0.300 . 1 . . . . . 24 ARG N . 12026 1 89 . 1 1 25 25 PRO C C 13 176.672 0.300 . 1 . . . . . 25 PRO C . 12026 1 90 . 1 1 25 25 PRO CA C 13 64.353 0.300 . 1 . . . . . 25 PRO CA . 12026 1 91 . 1 1 26 26 GLY H H 1 7.317 0.030 . 1 . . . . . 26 GLY H . 12026 1 92 . 1 1 26 26 GLY C C 13 172.535 0.300 . 1 . . . . . 26 GLY C . 12026 1 93 . 1 1 26 26 GLY CA C 13 44.199 0.300 . 1 . . . . . 26 GLY CA . 12026 1 94 . 1 1 26 26 GLY N N 15 109.712 0.300 . 1 . . . . . 26 GLY N . 12026 1 95 . 1 1 27 27 CYS H H 1 9.727 0.030 . 1 . . . . . 27 CYS H . 12026 1 96 . 1 1 27 27 CYS C C 13 177.932 0.300 . 1 . . . . . 27 CYS C . 12026 1 97 . 1 1 27 27 CYS CA C 13 59.461 0.300 . 1 . . . . . 27 CYS CA . 12026 1 98 . 1 1 27 27 CYS N N 15 125.692 0.300 . 1 . . . . . 27 CYS N . 12026 1 99 . 1 1 28 28 GLU H H 1 9.266 0.030 . 1 . . . . . 28 GLU H . 12026 1 100 . 1 1 28 28 GLU C C 13 175.514 0.300 . 1 . . . . . 28 GLU C . 12026 1 101 . 1 1 28 28 GLU CA C 13 59.156 0.300 . 1 . . . . . 28 GLU CA . 12026 1 102 . 1 1 28 28 GLU N N 15 132.679 0.300 . 1 . . . . . 28 GLU N . 12026 1 103 . 1 1 29 29 MET H H 1 9.118 0.030 . 1 . . . . . 29 MET H . 12026 1 104 . 1 1 29 29 MET C C 13 177.664 0.300 . 1 . . . . . 29 MET C . 12026 1 105 . 1 1 29 29 MET CA C 13 55.111 0.300 . 1 . . . . . 29 MET CA . 12026 1 106 . 1 1 29 29 MET CB C 13 31.965 0.300 . 1 . . . . . 29 MET CB . 12026 1 107 . 1 1 29 29 MET N N 15 116.372 0.300 . 1 . . . . . 29 MET N . 12026 1 108 . 1 1 30 30 CYS H H 1 8.259 0.030 . 1 . . . . . 30 CYS H . 12026 1 109 . 1 1 30 30 CYS C C 13 176.713 0.300 . 1 . . . . . 30 CYS C . 12026 1 110 . 1 1 30 30 CYS CA C 13 59.530 0.300 . 1 . . . . . 30 CYS CA . 12026 1 111 . 1 1 30 30 CYS N N 15 118.078 0.300 . 1 . . . . . 30 CYS N . 12026 1 112 . 1 1 31 31 CYS H H 1 7.851 0.030 . 1 . . . . . 31 CYS H . 12026 1 113 . 1 1 31 31 CYS C C 13 172.296 0.300 . 1 . . . . . 31 CYS C . 12026 1 114 . 1 1 31 31 CYS CA C 13 62.487 0.300 . 1 . . . . . 31 CYS CA . 12026 1 115 . 1 1 31 31 CYS N N 15 113.428 0.300 . 1 . . . . . 31 CYS N . 12026 1 116 . 1 1 32 32 ARG H H 1 8.572 0.030 . 1 . . . . . 32 ARG H . 12026 1 117 . 1 1 32 32 ARG C C 13 175.950 0.300 . 1 . . . . . 32 ARG C . 12026 1 118 . 1 1 32 32 ARG CA C 13 57.597 0.300 . 1 . . . . . 32 ARG CA . 12026 1 119 . 1 1 32 32 ARG CB C 13 31.312 0.300 . 1 . . . . . 32 ARG CB . 12026 1 120 . 1 1 32 32 ARG N N 15 124.813 0.300 . 1 . . . . . 32 ARG N . 12026 1 121 . 1 1 33 33 ALA H H 1 8.685 0.030 . 1 . . . . . 33 ALA H . 12026 1 122 . 1 1 33 33 ALA C C 13 176.304 0.300 . 1 . . . . . 33 ALA C . 12026 1 123 . 1 1 33 33 ALA CA C 13 53.128 0.300 . 1 . . . . . 33 ALA CA . 12026 1 124 . 1 1 33 33 ALA CB C 13 19.388 0.300 . 1 . . . . . 33 ALA CB . 12026 1 125 . 1 1 33 33 ALA N N 15 126.771 0.300 . 1 . . . . . 33 ALA N . 12026 1 126 . 1 1 34 34 ARG H H 1 6.953 0.030 . 1 . . . . . 34 ARG H . 12026 1 127 . 1 1 34 34 ARG CA C 13 53.213 0.300 . 1 . . . . . 34 ARG CA . 12026 1 128 . 1 1 34 34 ARG N N 15 122.968 0.300 . 1 . . . . . 34 ARG N . 12026 1 129 . 1 1 35 35 PRO C C 13 178.412 0.300 . 1 . . . . . 35 PRO C . 12026 1 130 . 1 1 35 35 PRO CA C 13 63.437 0.300 . 1 . . . . . 35 PRO CA . 12026 1 131 . 1 1 36 36 GLU H H 1 9.235 0.030 . 1 . . . . . 36 GLU H . 12026 1 132 . 1 1 36 36 GLU C C 13 176.634 0.300 . 1 . . . . . 36 GLU C . 12026 1 133 . 1 1 36 36 GLU CA C 13 58.978 0.300 . 1 . . . . . 36 GLU CA . 12026 1 134 . 1 1 36 36 GLU CB C 13 29.255 0.300 . 1 . . . . . 36 GLU CB . 12026 1 135 . 1 1 36 36 GLU N N 15 125.476 0.300 . 1 . . . . . 36 GLU N . 12026 1 136 . 1 1 37 37 THR H H 1 7.261 0.030 . 1 . . . . . 37 THR H . 12026 1 137 . 1 1 37 37 THR C C 13 174.899 0.300 . 1 . . . . . 37 THR C . 12026 1 138 . 1 1 37 37 THR CA C 13 61.383 0.300 . 1 . . . . . 37 THR CA . 12026 1 139 . 1 1 37 37 THR CB C 13 68.796 0.300 . 1 . . . . . 37 THR CB . 12026 1 140 . 1 1 37 37 THR N N 15 104.221 0.300 . 1 . . . . . 37 THR N . 12026 1 141 . 1 1 38 38 TYR H H 1 7.171 0.030 . 1 . . . . . 38 TYR H . 12026 1 142 . 1 1 38 38 TYR C C 13 174.254 0.300 . 1 . . . . . 38 TYR C . 12026 1 143 . 1 1 38 38 TYR CA C 13 59.108 0.300 . 1 . . . . . 38 TYR CA . 12026 1 144 . 1 1 38 38 TYR CB C 13 37.994 0.300 . 1 . . . . . 38 TYR CB . 12026 1 145 . 1 1 38 38 TYR N N 15 122.890 0.300 . 1 . . . . . 38 TYR N . 12026 1 146 . 1 1 39 39 GLN H H 1 7.694 0.030 . 1 . . . . . 39 GLN H . 12026 1 147 . 1 1 39 39 GLN C C 13 173.750 0.300 . 1 . . . . . 39 GLN C . 12026 1 148 . 1 1 39 39 GLN CA C 13 53.340 0.300 . 1 . . . . . 39 GLN CA . 12026 1 149 . 1 1 39 39 GLN CB C 13 29.722 0.300 . 1 . . . . . 39 GLN CB . 12026 1 150 . 1 1 39 39 GLN N N 15 128.801 0.300 . 1 . . . . . 39 GLN N . 12026 1 151 . 1 1 40 40 ILE H H 1 8.276 0.030 . 1 . . . . . 40 ILE H . 12026 1 152 . 1 1 40 40 ILE C C 13 174.973 0.300 . 1 . . . . . 40 ILE C . 12026 1 153 . 1 1 40 40 ILE CA C 13 59.902 0.300 . 1 . . . . . 40 ILE CA . 12026 1 154 . 1 1 40 40 ILE N N 15 126.532 0.300 . 1 . . . . . 40 ILE N . 12026 1 155 . 1 1 41 41 PRO C C 13 177.848 0.300 . 1 . . . . . 41 PRO C . 12026 1 156 . 1 1 41 41 PRO CA C 13 63.110 0.300 . 1 . . . . . 41 PRO CA . 12026 1 157 . 1 1 41 41 PRO CB C 13 32.154 0.300 . 1 . . . . . 41 PRO CB . 12026 1 158 . 1 1 42 42 ALA H H 1 8.766 0.030 . 1 . . . . . 42 ALA H . 12026 1 159 . 1 1 42 42 ALA C C 13 178.647 0.300 . 1 . . . . . 42 ALA C . 12026 1 160 . 1 1 42 42 ALA CA C 13 54.607 0.300 . 1 . . . . . 42 ALA CA . 12026 1 161 . 1 1 42 42 ALA CB C 13 18.390 0.300 . 1 . . . . . 42 ALA CB . 12026 1 162 . 1 1 42 42 ALA N N 15 127.195 0.300 . 1 . . . . . 42 ALA N . 12026 1 163 . 1 1 43 43 SER H H 1 8.055 0.030 . 1 . . . . . 43 SER H . 12026 1 164 . 1 1 43 43 SER C C 13 174.727 0.300 . 1 . . . . . 43 SER C . 12026 1 165 . 1 1 43 43 SER CA C 13 58.279 0.300 . 1 . . . . . 43 SER CA . 12026 1 166 . 1 1 43 43 SER CB C 13 63.139 0.300 . 1 . . . . . 43 SER CB . 12026 1 167 . 1 1 43 43 SER N N 15 108.847 0.300 . 1 . . . . . 43 SER N . 12026 1 168 . 1 1 44 44 TYR H H 1 7.627 0.030 . 1 . . . . . 44 TYR H . 12026 1 169 . 1 1 44 44 TYR C C 13 174.593 0.300 . 1 . . . . . 44 TYR C . 12026 1 170 . 1 1 44 44 TYR CA C 13 59.075 0.300 . 1 . . . . . 44 TYR CA . 12026 1 171 . 1 1 44 44 TYR CB C 13 38.764 0.300 . 1 . . . . . 44 TYR CB . 12026 1 172 . 1 1 44 44 TYR N N 15 122.097 0.300 . 1 . . . . . 44 TYR N . 12026 1 173 . 1 1 45 45 GLN H H 1 7.814 0.030 . 1 . . . . . 45 GLN H . 12026 1 174 . 1 1 45 45 GLN C C 13 180.540 0.300 . 1 . . . . . 45 GLN C . 12026 1 175 . 1 1 45 45 GLN CA C 13 51.953 0.300 . 1 . . . . . 45 GLN CA . 12026 1 176 . 1 1 45 45 GLN CB C 13 29.285 0.300 . 1 . . . . . 45 GLN CB . 12026 1 177 . 1 1 45 45 GLN N N 15 127.990 0.300 . 1 . . . . . 45 GLN N . 12026 1 178 . 1 1 46 46 PRO C C 13 176.388 0.300 . 1 . . . . . 46 PRO C . 12026 1 179 . 1 1 46 46 PRO CA C 13 62.522 0.300 . 1 . . . . . 46 PRO CA . 12026 1 180 . 1 1 46 46 PRO CB C 13 32.127 0.300 . 1 . . . . . 46 PRO CB . 12026 1 181 . 1 1 47 47 ASP H H 1 7.968 0.030 . 1 . . . . . 47 ASP H . 12026 1 182 . 1 1 47 47 ASP C C 13 175.520 0.300 . 1 . . . . . 47 ASP C . 12026 1 183 . 1 1 47 47 ASP CA C 13 53.193 0.300 . 1 . . . . . 47 ASP CA . 12026 1 184 . 1 1 47 47 ASP CB C 13 41.001 0.300 . 1 . . . . . 47 ASP CB . 12026 1 185 . 1 1 47 47 ASP N N 15 120.744 0.300 . 1 . . . . . 47 ASP N . 12026 1 186 . 1 1 48 48 GLU H H 1 8.719 0.030 . 1 . . . . . 48 GLU H . 12026 1 187 . 1 1 48 48 GLU C C 13 178.963 0.300 . 1 . . . . . 48 GLU C . 12026 1 188 . 1 1 48 48 GLU CA C 13 60.277 0.300 . 1 . . . . . 48 GLU CA . 12026 1 189 . 1 1 48 48 GLU CB C 13 29.572 0.300 . 1 . . . . . 48 GLU CB . 12026 1 190 . 1 1 48 48 GLU N N 15 118.489 0.300 . 1 . . . . . 48 GLU N . 12026 1 191 . 1 1 49 49 GLU H H 1 8.365 0.030 . 1 . . . . . 49 GLU H . 12026 1 192 . 1 1 49 49 GLU C C 13 179.488 0.300 . 1 . . . . . 49 GLU C . 12026 1 193 . 1 1 49 49 GLU CA C 13 59.752 0.300 . 1 . . . . . 49 GLU CA . 12026 1 194 . 1 1 49 49 GLU CB C 13 29.668 0.300 . 1 . . . . . 49 GLU CB . 12026 1 195 . 1 1 49 49 GLU N N 15 120.369 0.300 . 1 . . . . . 49 GLU N . 12026 1 196 . 1 1 50 50 GLU H H 1 8.451 0.030 . 1 . . . . . 50 GLU H . 12026 1 197 . 1 1 50 50 GLU C C 13 178.628 0.300 . 1 . . . . . 50 GLU C . 12026 1 198 . 1 1 50 50 GLU CA C 13 58.456 0.300 . 1 . . . . . 50 GLU CA . 12026 1 199 . 1 1 50 50 GLU N N 15 123.199 0.300 . 1 . . . . . 50 GLU N . 12026 1 200 . 1 1 51 51 ARG H H 1 9.054 0.030 . 1 . . . . . 51 ARG H . 12026 1 201 . 1 1 51 51 ARG C C 13 179.434 0.300 . 1 . . . . . 51 ARG C . 12026 1 202 . 1 1 51 51 ARG CA C 13 60.076 0.300 . 1 . . . . . 51 ARG CA . 12026 1 203 . 1 1 51 51 ARG N N 15 119.812 0.300 . 1 . . . . . 51 ARG N . 12026 1 204 . 1 1 52 52 ALA H H 1 7.948 0.030 . 1 . . . . . 52 ALA H . 12026 1 205 . 1 1 52 52 ALA C C 13 180.497 0.300 . 1 . . . . . 52 ALA C . 12026 1 206 . 1 1 52 52 ALA CA C 13 55.003 0.300 . 1 . . . . . 52 ALA CA . 12026 1 207 . 1 1 52 52 ALA CB C 13 17.881 0.300 . 1 . . . . . 52 ALA CB . 12026 1 208 . 1 1 52 52 ALA N N 15 121.957 0.300 . 1 . . . . . 52 ALA N . 12026 1 209 . 1 1 53 53 ARG H H 1 8.060 0.030 . 1 . . . . . 53 ARG H . 12026 1 210 . 1 1 53 53 ARG C C 13 180.083 0.300 . 1 . . . . . 53 ARG C . 12026 1 211 . 1 1 53 53 ARG CA C 13 59.644 0.300 . 1 . . . . . 53 ARG CA . 12026 1 212 . 1 1 53 53 ARG N N 15 122.064 0.300 . 1 . . . . . 53 ARG N . 12026 1 213 . 1 1 54 54 LEU H H 1 8.652 0.030 . 1 . . . . . 54 LEU H . 12026 1 214 . 1 1 54 54 LEU C C 13 179.622 0.300 . 1 . . . . . 54 LEU C . 12026 1 215 . 1 1 54 54 LEU CA C 13 57.807 0.300 . 1 . . . . . 54 LEU CA . 12026 1 216 . 1 1 54 54 LEU CB C 13 41.894 0.300 . 1 . . . . . 54 LEU CB . 12026 1 217 . 1 1 54 54 LEU N N 15 121.090 0.300 . 1 . . . . . 54 LEU N . 12026 1 218 . 1 1 55 55 ALA H H 1 8.178 0.030 . 1 . . . . . 55 ALA H . 12026 1 219 . 1 1 55 55 ALA C C 13 180.703 0.300 . 1 . . . . . 55 ALA C . 12026 1 220 . 1 1 55 55 ALA CA C 13 54.818 0.300 . 1 . . . . . 55 ALA CA . 12026 1 221 . 1 1 55 55 ALA CB C 13 17.949 0.300 . 1 . . . . . 55 ALA CB . 12026 1 222 . 1 1 55 55 ALA N N 15 122.325 0.300 . 1 . . . . . 55 ALA N . 12026 1 223 . 1 1 56 56 GLY H H 1 8.139 0.030 . 1 . . . . . 56 GLY H . 12026 1 224 . 1 1 56 56 GLY C C 13 176.462 0.300 . 1 . . . . . 56 GLY C . 12026 1 225 . 1 1 56 56 GLY CA C 13 46.624 0.300 . 1 . . . . . 56 GLY CA . 12026 1 226 . 1 1 56 56 GLY N N 15 106.471 0.300 . 1 . . . . . 56 GLY N . 12026 1 227 . 1 1 57 57 GLU H H 1 8.014 0.030 . 1 . . . . . 57 GLU H . 12026 1 228 . 1 1 57 57 GLU C C 13 177.958 0.300 . 1 . . . . . 57 GLU C . 12026 1 229 . 1 1 57 57 GLU CA C 13 58.884 0.300 . 1 . . . . . 57 GLU CA . 12026 1 230 . 1 1 57 57 GLU CB C 13 30.120 0.300 . 1 . . . . . 57 GLU CB . 12026 1 231 . 1 1 57 57 GLU N N 15 122.895 0.300 . 1 . . . . . 57 GLU N . 12026 1 232 . 1 1 58 58 GLU H H 1 8.031 0.030 . 1 . . . . . 58 GLU H . 12026 1 233 . 1 1 58 58 GLU C C 13 178.667 0.300 . 1 . . . . . 58 GLU C . 12026 1 234 . 1 1 58 58 GLU CA C 13 58.750 0.300 . 1 . . . . . 58 GLU CA . 12026 1 235 . 1 1 58 58 GLU CB C 13 29.610 0.300 . 1 . . . . . 58 GLU CB . 12026 1 236 . 1 1 58 58 GLU N N 15 119.445 0.300 . 1 . . . . . 58 GLU N . 12026 1 237 . 1 1 59 59 GLU H H 1 8.125 0.030 . 1 . . . . . 59 GLU H . 12026 1 238 . 1 1 59 59 GLU C C 13 178.056 0.300 . 1 . . . . . 59 GLU C . 12026 1 239 . 1 1 59 59 GLU CA C 13 58.363 0.300 . 1 . . . . . 59 GLU CA . 12026 1 240 . 1 1 59 59 GLU CB C 13 29.732 0.300 . 1 . . . . . 59 GLU CB . 12026 1 241 . 1 1 59 59 GLU N N 15 120.022 0.300 . 1 . . . . . 59 GLU N . 12026 1 242 . 1 1 60 60 ALA H H 1 7.948 0.030 . 1 . . . . . 60 ALA H . 12026 1 243 . 1 1 60 60 ALA C C 13 179.457 0.300 . 1 . . . . . 60 ALA C . 12026 1 244 . 1 1 60 60 ALA CA C 13 54.184 0.300 . 1 . . . . . 60 ALA CA . 12026 1 245 . 1 1 60 60 ALA CB C 13 18.662 0.300 . 1 . . . . . 60 ALA CB . 12026 1 246 . 1 1 60 60 ALA N N 15 121.964 0.300 . 1 . . . . . 60 ALA N . 12026 1 247 . 1 1 61 61 LEU H H 1 7.828 0.030 . 1 . . . . . 61 LEU H . 12026 1 248 . 1 1 61 61 LEU C C 13 178.358 0.300 . 1 . . . . . 61 LEU C . 12026 1 249 . 1 1 61 61 LEU CA C 13 56.242 0.300 . 1 . . . . . 61 LEU CA . 12026 1 250 . 1 1 61 61 LEU CB C 13 41.642 0.300 . 1 . . . . . 61 LEU CB . 12026 1 251 . 1 1 61 61 LEU N N 15 118.147 0.300 . 1 . . . . . 61 LEU N . 12026 1 252 . 1 1 62 62 ARG H H 1 7.785 0.030 . 1 . . . . . 62 ARG H . 12026 1 253 . 1 1 62 62 ARG C C 13 177.473 0.300 . 1 . . . . . 62 ARG C . 12026 1 254 . 1 1 62 62 ARG CA C 13 57.896 0.300 . 1 . . . . . 62 ARG CA . 12026 1 255 . 1 1 62 62 ARG CB C 13 30.220 0.300 . 1 . . . . . 62 ARG CB . 12026 1 256 . 1 1 62 62 ARG N N 15 119.447 0.300 . 1 . . . . . 62 ARG N . 12026 1 257 . 1 1 63 63 GLN H H 1 7.918 0.030 . 1 . . . . . 63 GLN H . 12026 1 258 . 1 1 63 63 GLN C C 13 176.049 0.300 . 1 . . . . . 63 GLN C . 12026 1 259 . 1 1 63 63 GLN CA C 13 56.568 0.300 . 1 . . . . . 63 GLN CA . 12026 1 260 . 1 1 63 63 GLN CB C 13 29.112 0.300 . 1 . . . . . 63 GLN CB . 12026 1 261 . 1 1 63 63 GLN N N 15 117.578 0.300 . 1 . . . . . 63 GLN N . 12026 1 262 . 1 1 64 64 TYR H H 1 7.793 0.030 . 1 . . . . . 64 TYR H . 12026 1 263 . 1 1 64 64 TYR C C 13 175.241 0.300 . 1 . . . . . 64 TYR C . 12026 1 264 . 1 1 64 64 TYR CA C 13 58.108 0.300 . 1 . . . . . 64 TYR CA . 12026 1 265 . 1 1 64 64 TYR CB C 13 38.748 0.300 . 1 . . . . . 64 TYR CB . 12026 1 266 . 1 1 64 64 TYR N N 15 119.499 0.300 . 1 . . . . . 64 TYR N . 12026 1 267 . 1 1 65 65 GLN H H 1 7.969 0.030 . 1 . . . . . 65 GLN H . 12026 1 268 . 1 1 65 65 GLN C C 13 174.648 0.300 . 1 . . . . . 65 GLN C . 12026 1 269 . 1 1 65 65 GLN CA C 13 55.842 0.300 . 1 . . . . . 65 GLN CA . 12026 1 270 . 1 1 65 65 GLN CB C 13 29.684 0.300 . 1 . . . . . 65 GLN CB . 12026 1 271 . 1 1 65 65 GLN N N 15 121.647 0.300 . 1 . . . . . 65 GLN N . 12026 1 272 . 1 1 66 66 GLN H H 1 7.806 0.030 . 1 . . . . . 66 GLN H . 12026 1 273 . 1 1 66 66 GLN C C 13 180.573 0.300 . 1 . . . . . 66 GLN C . 12026 1 274 . 1 1 66 66 GLN CA C 13 57.478 0.300 . 1 . . . . . 66 GLN CA . 12026 1 275 . 1 1 66 66 GLN CB C 13 30.413 0.300 . 1 . . . . . 66 GLN CB . 12026 1 276 . 1 1 66 66 GLN N N 15 126.235 0.300 . 1 . . . . . 66 GLN N . 12026 1 stop_ save_