data_27664 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27664 _Entry.Title ; UbcH7-Ub isopeptide conjugate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-28 _Entry.Accession_date 2018-10-28 _Entry.Last_release_date 2018-10-29 _Entry.Original_release_date 2018-10-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _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 'HN backbone shifts for UbcH7 (C17S, C86K,C137S) covalently attached via K86 side chain to the C-terminal Gly CO in Ubiquitin.' _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 Tara Condos . EC . . 27664 2 Gary Shaw . S. . . 27664 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27664 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 208 27664 '1H chemical shifts' 196 27664 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 . . 2018-11-02 . original BMRB . 27664 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15498 UbcH7 27664 BMRB 4769 'Yeast ubiquitin' 27664 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27664 _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 ; Synergistic Recruitment of UbcH7~Ub and Phosphorylated Ubl Domain Triggers Parkin Activation ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _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 Tara Condos . EC . . 27664 1 2 Gary Shaw . S. . . 27664 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID covalent 27664 1 'ubiquitin conjugating enzyme' 27664 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27664 _Assembly.ID 1 _Assembly.Name UbcH7-Ub _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25000 _Assembly.Enzyme_commission_number . _Assembly.Details 'E2 conjugating enzyme UbcH7 linked via isopeptide to ubiquitin' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UbcH7 1 $UbcH7 A . yes native no no . . . 27664 1 2 Ub 2 $Ub B . yes native no no . . . 27664 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 single . 1 . 1 LYS 86 86 NZ . 2 . 2 GLY 76 76 C . UbcH7 . 86 LYS NZ . Ub . 76 GLY C 27664 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 1UBQ . . X-ray . 'Th ubiquitin from this study' . 27664 1 yes PDB 4Q5E . . X-ray . 'The E2 enzyme UbcH7 from this study' . 27664 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 covalent 27664 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Accepts and transfers ubiquitin' 27664 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UbcH7 _Entity.Sf_category entity _Entity.Sf_framecode UbcH7 _Entity.Entry_ID 27664 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UbcH7 _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 ; MAASRRLMKELEEIRKSGMK NFRNIQVDEANLLTWQGLIV PDNPPYDKGAFRIEINFPAE YPFKPPKITFKTKIYHPNID EKGQVKLPVISAENWKPATK TDQVIQSLIALVNDPQPEHP LRADLAEEYSKDRKKFSKNA EEFTKKYGEKRPVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-154 are UbcH7' _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 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'C17S, C86K, C137S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes BMRB 15498 . . . . . . . . . . . . . . . . 27664 1 . yes BMRB 4769 . . . . . . . . . . . . . . . . 27664 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin conjugating enzyme' 27664 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 . MET . 27664 1 2 . ALA . 27664 1 3 . ALA . 27664 1 4 . SER . 27664 1 5 . ARG . 27664 1 6 . ARG . 27664 1 7 . LEU . 27664 1 8 . MET . 27664 1 9 . LYS . 27664 1 10 . GLU . 27664 1 11 . LEU . 27664 1 12 . GLU . 27664 1 13 . GLU . 27664 1 14 . ILE . 27664 1 15 . ARG . 27664 1 16 . LYS . 27664 1 17 . SER . 27664 1 18 . GLY . 27664 1 19 . MET . 27664 1 20 . LYS . 27664 1 21 . ASN . 27664 1 22 . PHE . 27664 1 23 . ARG . 27664 1 24 . ASN . 27664 1 25 . ILE . 27664 1 26 . GLN . 27664 1 27 . VAL . 27664 1 28 . ASP . 27664 1 29 . GLU . 27664 1 30 . ALA . 27664 1 31 . ASN . 27664 1 32 . LEU . 27664 1 33 . LEU . 27664 1 34 . THR . 27664 1 35 . TRP . 27664 1 36 . GLN . 27664 1 37 . GLY . 27664 1 38 . LEU . 27664 1 39 . ILE . 27664 1 40 . VAL . 27664 1 41 . PRO . 27664 1 42 . ASP . 27664 1 43 . ASN . 27664 1 44 . PRO . 27664 1 45 . PRO . 27664 1 46 . TYR . 27664 1 47 . ASP . 27664 1 48 . LYS . 27664 1 49 . GLY . 27664 1 50 . ALA . 27664 1 51 . PHE . 27664 1 52 . ARG . 27664 1 53 . ILE . 27664 1 54 . GLU . 27664 1 55 . ILE . 27664 1 56 . ASN . 27664 1 57 . PHE . 27664 1 58 . PRO . 27664 1 59 . ALA . 27664 1 60 . GLU . 27664 1 61 . TYR . 27664 1 62 . PRO . 27664 1 63 . PHE . 27664 1 64 . LYS . 27664 1 65 . PRO . 27664 1 66 . PRO . 27664 1 67 . LYS . 27664 1 68 . ILE . 27664 1 69 . THR . 27664 1 70 . PHE . 27664 1 71 . LYS . 27664 1 72 . THR . 27664 1 73 . LYS . 27664 1 74 . ILE . 27664 1 75 . TYR . 27664 1 76 . HIS . 27664 1 77 . PRO . 27664 1 78 . ASN . 27664 1 79 . ILE . 27664 1 80 . ASP . 27664 1 81 . GLU . 27664 1 82 . LYS . 27664 1 83 . GLY . 27664 1 84 . GLN . 27664 1 85 . VAL . 27664 1 86 . LYS . 27664 1 87 . LEU . 27664 1 88 . PRO . 27664 1 89 . VAL . 27664 1 90 . ILE . 27664 1 91 . SER . 27664 1 92 . ALA . 27664 1 93 . GLU . 27664 1 94 . ASN . 27664 1 95 . TRP . 27664 1 96 . LYS . 27664 1 97 . PRO . 27664 1 98 . ALA . 27664 1 99 . THR . 27664 1 100 . LYS . 27664 1 101 . THR . 27664 1 102 . ASP . 27664 1 103 . GLN . 27664 1 104 . VAL . 27664 1 105 . ILE . 27664 1 106 . GLN . 27664 1 107 . SER . 27664 1 108 . LEU . 27664 1 109 . ILE . 27664 1 110 . ALA . 27664 1 111 . LEU . 27664 1 112 . VAL . 27664 1 113 . ASN . 27664 1 114 . ASP . 27664 1 115 . PRO . 27664 1 116 . GLN . 27664 1 117 . PRO . 27664 1 118 . GLU . 27664 1 119 . HIS . 27664 1 120 . PRO . 27664 1 121 . LEU . 27664 1 122 . ARG . 27664 1 123 . ALA . 27664 1 124 . ASP . 27664 1 125 . LEU . 27664 1 126 . ALA . 27664 1 127 . GLU . 27664 1 128 . GLU . 27664 1 129 . TYR . 27664 1 130 . SER . 27664 1 131 . LYS . 27664 1 132 . ASP . 27664 1 133 . ARG . 27664 1 134 . LYS . 27664 1 135 . LYS . 27664 1 136 . PHE . 27664 1 137 . SER . 27664 1 138 . LYS . 27664 1 139 . ASN . 27664 1 140 . ALA . 27664 1 141 . GLU . 27664 1 142 . GLU . 27664 1 143 . PHE . 27664 1 144 . THR . 27664 1 145 . LYS . 27664 1 146 . LYS . 27664 1 147 . TYR . 27664 1 148 . GLY . 27664 1 149 . GLU . 27664 1 150 . LYS . 27664 1 151 . ARG . 27664 1 152 . PRO . 27664 1 153 . VAL . 27664 1 154 . ASP . 27664 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27664 1 . ALA 2 2 27664 1 . ALA 3 3 27664 1 . SER 4 4 27664 1 . ARG 5 5 27664 1 . ARG 6 6 27664 1 . LEU 7 7 27664 1 . MET 8 8 27664 1 . LYS 9 9 27664 1 . GLU 10 10 27664 1 . LEU 11 11 27664 1 . GLU 12 12 27664 1 . GLU 13 13 27664 1 . ILE 14 14 27664 1 . ARG 15 15 27664 1 . LYS 16 16 27664 1 . SER 17 17 27664 1 . GLY 18 18 27664 1 . MET 19 19 27664 1 . LYS 20 20 27664 1 . ASN 21 21 27664 1 . PHE 22 22 27664 1 . ARG 23 23 27664 1 . ASN 24 24 27664 1 . ILE 25 25 27664 1 . GLN 26 26 27664 1 . VAL 27 27 27664 1 . ASP 28 28 27664 1 . GLU 29 29 27664 1 . ALA 30 30 27664 1 . ASN 31 31 27664 1 . LEU 32 32 27664 1 . LEU 33 33 27664 1 . THR 34 34 27664 1 . TRP 35 35 27664 1 . GLN 36 36 27664 1 . GLY 37 37 27664 1 . LEU 38 38 27664 1 . ILE 39 39 27664 1 . VAL 40 40 27664 1 . PRO 41 41 27664 1 . ASP 42 42 27664 1 . ASN 43 43 27664 1 . PRO 44 44 27664 1 . PRO 45 45 27664 1 . TYR 46 46 27664 1 . ASP 47 47 27664 1 . LYS 48 48 27664 1 . GLY 49 49 27664 1 . ALA 50 50 27664 1 . PHE 51 51 27664 1 . ARG 52 52 27664 1 . ILE 53 53 27664 1 . GLU 54 54 27664 1 . ILE 55 55 27664 1 . ASN 56 56 27664 1 . PHE 57 57 27664 1 . PRO 58 58 27664 1 . ALA 59 59 27664 1 . GLU 60 60 27664 1 . TYR 61 61 27664 1 . PRO 62 62 27664 1 . PHE 63 63 27664 1 . LYS 64 64 27664 1 . PRO 65 65 27664 1 . PRO 66 66 27664 1 . LYS 67 67 27664 1 . ILE 68 68 27664 1 . THR 69 69 27664 1 . PHE 70 70 27664 1 . LYS 71 71 27664 1 . THR 72 72 27664 1 . LYS 73 73 27664 1 . ILE 74 74 27664 1 . TYR 75 75 27664 1 . HIS 76 76 27664 1 . PRO 77 77 27664 1 . ASN 78 78 27664 1 . ILE 79 79 27664 1 . ASP 80 80 27664 1 . GLU 81 81 27664 1 . LYS 82 82 27664 1 . GLY 83 83 27664 1 . GLN 84 84 27664 1 . VAL 85 85 27664 1 . LYS 86 86 27664 1 . LEU 87 87 27664 1 . PRO 88 88 27664 1 . VAL 89 89 27664 1 . ILE 90 90 27664 1 . SER 91 91 27664 1 . ALA 92 92 27664 1 . GLU 93 93 27664 1 . ASN 94 94 27664 1 . TRP 95 95 27664 1 . LYS 96 96 27664 1 . PRO 97 97 27664 1 . ALA 98 98 27664 1 . THR 99 99 27664 1 . LYS 100 100 27664 1 . THR 101 101 27664 1 . ASP 102 102 27664 1 . GLN 103 103 27664 1 . VAL 104 104 27664 1 . ILE 105 105 27664 1 . GLN 106 106 27664 1 . SER 107 107 27664 1 . LEU 108 108 27664 1 . ILE 109 109 27664 1 . ALA 110 110 27664 1 . LEU 111 111 27664 1 . VAL 112 112 27664 1 . ASN 113 113 27664 1 . ASP 114 114 27664 1 . PRO 115 115 27664 1 . GLN 116 116 27664 1 . PRO 117 117 27664 1 . GLU 118 118 27664 1 . HIS 119 119 27664 1 . PRO 120 120 27664 1 . LEU 121 121 27664 1 . ARG 122 122 27664 1 . ALA 123 123 27664 1 . ASP 124 124 27664 1 . LEU 125 125 27664 1 . ALA 126 126 27664 1 . GLU 127 127 27664 1 . GLU 128 128 27664 1 . TYR 129 129 27664 1 . SER 130 130 27664 1 . LYS 131 131 27664 1 . ASP 132 132 27664 1 . ARG 133 133 27664 1 . LYS 134 134 27664 1 . LYS 135 135 27664 1 . PHE 136 136 27664 1 . SER 137 137 27664 1 . LYS 138 138 27664 1 . ASN 139 139 27664 1 . ALA 140 140 27664 1 . GLU 141 141 27664 1 . GLU 142 142 27664 1 . PHE 143 143 27664 1 . THR 144 144 27664 1 . LYS 145 145 27664 1 . LYS 146 146 27664 1 . TYR 147 147 27664 1 . GLY 148 148 27664 1 . GLU 149 149 27664 1 . LYS 150 150 27664 1 . ARG 151 151 27664 1 . PRO 152 152 27664 1 . VAL 153 153 27664 1 . ASP 154 154 27664 1 stop_ save_ save_Ub _Entity.Sf_category entity _Entity.Sf_framecode Ub _Entity.Entry_ID 27664 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ub _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 ; MQIFVKTLTGKTITLEVESS DTIDNVKSKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Residues 201-276 are ubiquitin. The construct used included an SNA tag at the beginning of the ubiquitin sequence that was left over from TEV cleavage but is not present in the chemical shift file. ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes BMRB 15498 . . . . . . . . . . . . . . . . 27664 2 . yes BMRB 4769 . . . . . . . . . . . . . . . . 27664 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ubiquitin conjugating enzyme' 27664 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 1 201 MET . 27664 2 2 202 GLN . 27664 2 3 203 ILE . 27664 2 4 204 PHE . 27664 2 5 205 VAL . 27664 2 6 206 LYS . 27664 2 7 207 THR . 27664 2 8 208 LEU . 27664 2 9 209 THR . 27664 2 10 210 GLY . 27664 2 11 211 LYS . 27664 2 12 212 THR . 27664 2 13 213 ILE . 27664 2 14 214 THR . 27664 2 15 215 LEU . 27664 2 16 216 GLU . 27664 2 17 217 VAL . 27664 2 18 218 GLU . 27664 2 19 219 SER . 27664 2 20 220 SER . 27664 2 21 221 ASP . 27664 2 22 222 THR . 27664 2 23 223 ILE . 27664 2 24 224 ASP . 27664 2 25 225 ASN . 27664 2 26 226 VAL . 27664 2 27 227 LYS . 27664 2 28 228 SER . 27664 2 29 229 LYS . 27664 2 30 230 ILE . 27664 2 31 231 GLN . 27664 2 32 232 ASP . 27664 2 33 233 LYS . 27664 2 34 234 GLU . 27664 2 35 235 GLY . 27664 2 36 236 ILE . 27664 2 37 237 PRO . 27664 2 38 238 PRO . 27664 2 39 239 ASP . 27664 2 40 240 GLN . 27664 2 41 241 GLN . 27664 2 42 242 ARG . 27664 2 43 243 LEU . 27664 2 44 244 ILE . 27664 2 45 245 PHE . 27664 2 46 246 ALA . 27664 2 47 247 GLY . 27664 2 48 248 LYS . 27664 2 49 249 GLN . 27664 2 50 250 LEU . 27664 2 51 251 GLU . 27664 2 52 252 ASP . 27664 2 53 253 GLY . 27664 2 54 254 ARG . 27664 2 55 255 THR . 27664 2 56 256 LEU . 27664 2 57 257 SER . 27664 2 58 258 ASP . 27664 2 59 259 TYR . 27664 2 60 260 ASN . 27664 2 61 261 ILE . 27664 2 62 262 GLN . 27664 2 63 263 LYS . 27664 2 64 264 GLU . 27664 2 65 265 SER . 27664 2 66 266 THR . 27664 2 67 267 LEU . 27664 2 68 268 HIS . 27664 2 69 269 LEU . 27664 2 70 270 VAL . 27664 2 71 271 LEU . 27664 2 72 272 ARG . 27664 2 73 273 LEU . 27664 2 74 274 ARG . 27664 2 75 275 GLY . 27664 2 76 276 GLY . 27664 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 27664 2 . GLN 2 2 27664 2 . ILE 3 3 27664 2 . PHE 4 4 27664 2 . VAL 5 5 27664 2 . LYS 6 6 27664 2 . THR 7 7 27664 2 . LEU 8 8 27664 2 . THR 9 9 27664 2 . GLY 10 10 27664 2 . LYS 11 11 27664 2 . THR 12 12 27664 2 . ILE 13 13 27664 2 . THR 14 14 27664 2 . LEU 15 15 27664 2 . GLU 16 16 27664 2 . VAL 17 17 27664 2 . GLU 18 18 27664 2 . SER 19 19 27664 2 . SER 20 20 27664 2 . ASP 21 21 27664 2 . THR 22 22 27664 2 . ILE 23 23 27664 2 . ASP 24 24 27664 2 . ASN 25 25 27664 2 . VAL 26 26 27664 2 . LYS 27 27 27664 2 . SER 28 28 27664 2 . LYS 29 29 27664 2 . ILE 30 30 27664 2 . GLN 31 31 27664 2 . ASP 32 32 27664 2 . LYS 33 33 27664 2 . GLU 34 34 27664 2 . GLY 35 35 27664 2 . ILE 36 36 27664 2 . PRO 37 37 27664 2 . PRO 38 38 27664 2 . ASP 39 39 27664 2 . GLN 40 40 27664 2 . GLN 41 41 27664 2 . ARG 42 42 27664 2 . LEU 43 43 27664 2 . ILE 44 44 27664 2 . PHE 45 45 27664 2 . ALA 46 46 27664 2 . GLY 47 47 27664 2 . LYS 48 48 27664 2 . GLN 49 49 27664 2 . LEU 50 50 27664 2 . GLU 51 51 27664 2 . ASP 52 52 27664 2 . GLY 53 53 27664 2 . ARG 54 54 27664 2 . THR 55 55 27664 2 . LEU 56 56 27664 2 . SER 57 57 27664 2 . ASP 58 58 27664 2 . TYR 59 59 27664 2 . ASN 60 60 27664 2 . ILE 61 61 27664 2 . GLN 62 62 27664 2 . LYS 63 63 27664 2 . GLU 64 64 27664 2 . SER 65 65 27664 2 . THR 66 66 27664 2 . LEU 67 67 27664 2 . HIS 68 68 27664 2 . LEU 69 69 27664 2 . VAL 70 70 27664 2 . LEU 71 71 27664 2 . ARG 72 72 27664 2 . LEU 73 73 27664 2 . ARG 74 74 27664 2 . GLY 75 75 27664 2 . GLY 76 76 27664 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27664 _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 $UbcH7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27664 1 2 2 $Ub . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27664 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 27664 _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 $UbcH7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) CodonPlus-RIL . . . . pET28a . . . 27664 1 2 2 $Ub . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) CodonPlus-RIL . . . . pET28a . . . 27664 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27664 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 UbcH7 '[U-99% 2H]' . . 1 $UbcH7 . . 0.11 . . mM 0.1 . . . 27664 1 2 Ub '[U-99% 2H]' . . 2 $Ub . . 0.11 . . mM 0.1 . . . 27664 1 3 DSS 'natural abundance' . . . . . . 0.01 . . mM . . . . 27664 1 4 HEPES 'natural abundance' . . . . . . 25 . . mM 0.1 . . . 27664 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27664 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 27664 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 27664 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27664 1 pH 7 0.05 pH 27664 1 pressure 1 . atm 27664 1 temperature 298 0.1 K 27664 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27664 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 9.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27664 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27664 1 stop_ save_ save_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRViewJ _Software.Entry_ID 27664 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27664 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27664 2 'peak picking' 27664 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27664 _Software.ID 3 _Software.Type . _Software.Name VNMRJ _Software.Version 4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27664 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27664 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27664 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version 9.2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27664 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27664 4 'peak picking' 27664 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27664 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27664 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27664 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 27664 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 27664 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 27664 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27664 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27664 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 27664 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Assignments were made by comparing to BMRB 15498, 4769 and published literature.' _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' . . . 27664 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $NMRView . . 27664 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 6 6 ARG H H 1 7.792 0.01 . . . . . . . 6 R H . 27664 1 2 . 1 1 6 6 ARG N N 15 120.084 0.2 . . . . . . . 6 R N . 27664 1 3 . 1 1 7 7 LEU H H 1 8.188 0.01 . . . . . . . 7 L H . 27664 1 4 . 1 1 7 7 LEU N N 15 117.758 0.2 . . . . . . . 7 L N . 27664 1 5 . 1 1 8 8 MET H H 1 8.361 0.01 . . . . . . . 8 M H . 27664 1 6 . 1 1 8 8 MET N N 15 117.861 0.2 . . . . . . . 8 M N . 27664 1 7 . 1 1 9 9 LYS H H 1 7.732 0.01 . . . . . . . 9 K H . 27664 1 8 . 1 1 9 9 LYS N N 15 120.017 0.2 . . . . . . . 9 K N . 27664 1 9 . 1 1 10 10 GLU H H 1 8.606 0.01 . . . . . . . 10 E H . 27664 1 10 . 1 1 10 10 GLU N N 15 119.762 0.2 . . . . . . . 10 E N . 27664 1 11 . 1 1 11 11 LEU H H 1 8.808 0.01 . . . . . . . 11 L H . 27664 1 12 . 1 1 11 11 LEU N N 15 120.762 0.2 . . . . . . . 11 L N . 27664 1 13 . 1 1 12 12 GLU H H 1 7.763 0.01 . . . . . . . 12 E H . 27664 1 14 . 1 1 12 12 GLU N N 15 118.602 0.2 . . . . . . . 12 E N . 27664 1 15 . 1 1 13 13 GLU H H 1 8.299 0.01 . . . . . . . 13 E H . 27664 1 16 . 1 1 13 13 GLU N N 15 118.481 0.2 . . . . . . . 13 E N . 27664 1 17 . 1 1 14 14 ILE H H 1 8.559 0.01 . . . . . . . 14 I H . 27664 1 18 . 1 1 14 14 ILE N N 15 121.779 0.2 . . . . . . . 14 I N . 27664 1 19 . 1 1 15 15 ARG H H 1 8.556 0.01 . . . . . . . 15 R H . 27664 1 20 . 1 1 15 15 ARG N N 15 121.201 0.2 . . . . . . . 15 R N . 27664 1 21 . 1 1 16 16 LYS H H 1 7.748 0.01 . . . . . . . 16 K H . 27664 1 22 . 1 1 16 16 LYS N N 15 117.443 0.2 . . . . . . . 16 K N . 27664 1 23 . 1 1 17 17 SER H H 1 7.786 0.01 . . . . . . . 17 S H . 27664 1 24 . 1 1 17 17 SER N N 15 114.220 0.2 . . . . . . . 17 S N . 27664 1 25 . 1 1 18 18 GLY H H 1 8.112 0.01 . . . . . . . 18 G H . 27664 1 26 . 1 1 18 18 GLY N N 15 110.559 0.2 . . . . . . . 18 G N . 27664 1 27 . 1 1 19 19 MET H H 1 8.392 0.01 . . . . . . . 19 M H . 27664 1 28 . 1 1 19 19 MET N N 15 119.321 0.2 . . . . . . . 19 M N . 27664 1 29 . 1 1 20 20 LYS H H 1 8.726 0.01 . . . . . . . 20 K H . 27664 1 30 . 1 1 20 20 LYS N N 15 122.538 0.2 . . . . . . . 20 K N . 27664 1 31 . 1 1 21 21 ASN H H 1 8.202 0.01 . . . . . . . 21 N H . 27664 1 32 . 1 1 21 21 ASN N N 15 111.901 0.2 . . . . . . . 21 N N . 27664 1 33 . 1 1 22 22 PHE H H 1 7.093 0.01 . . . . . . . 22 F H . 27664 1 34 . 1 1 22 22 PHE N N 15 120.390 0.2 . . . . . . . 22 F N . 27664 1 35 . 1 1 23 23 ARG H H 1 8.924 0.01 . . . . . . . 23 R H . 27664 1 36 . 1 1 23 23 ARG N N 15 122.321 0.2 . . . . . . . 23 R N . 27664 1 37 . 1 1 24 24 ASN H H 1 8.708 0.01 . . . . . . . 24 N H . 27664 1 38 . 1 1 24 24 ASN N N 15 116.926 0.2 . . . . . . . 24 N N . 27664 1 39 . 1 1 25 25 ILE H H 1 7.953 0.01 . . . . . . . 25 I H . 27664 1 40 . 1 1 25 25 ILE N N 15 118.159 0.2 . . . . . . . 25 I N . 27664 1 41 . 1 1 26 26 GLN H H 1 9.212 0.01 . . . . . . . 26 Q H . 27664 1 42 . 1 1 26 26 GLN N N 15 130.049 0.2 . . . . . . . 26 Q N . 27664 1 43 . 1 1 27 27 VAL H H 1 8.318 0.01 . . . . . . . 27 V H . 27664 1 44 . 1 1 27 27 VAL N N 15 123.003 0.2 . . . . . . . 27 V N . 27664 1 45 . 1 1 28 28 ASP H H 1 8.893 0.01 . . . . . . . 28 D H . 27664 1 46 . 1 1 28 28 ASP N N 15 127.249 0.2 . . . . . . . 28 D N . 27664 1 47 . 1 1 29 29 GLU H H 1 8.809 0.01 . . . . . . . 29 E H . 27664 1 48 . 1 1 29 29 GLU N N 15 125.575 0.2 . . . . . . . 29 E N . 27664 1 49 . 1 1 30 30 ALA H H 1 8.473 0.01 . . . . . . . 30 A H . 27664 1 50 . 1 1 30 30 ALA N N 15 119.973 0.2 . . . . . . . 30 A N . 27664 1 51 . 1 1 31 31 ASN H H 1 8.019 0.01 . . . . . . . 31 N H . 27664 1 52 . 1 1 31 31 ASN N N 15 115.248 0.2 . . . . . . . 31 N N . 27664 1 53 . 1 1 32 32 LEU H H 1 8.662 0.01 . . . . . . . 32 L H . 27664 1 54 . 1 1 32 32 LEU N N 15 121.738 0.2 . . . . . . . 32 L N . 27664 1 55 . 1 1 33 33 LEU H H 1 7.558 0.01 . . . . . . . 33 L H . 27664 1 56 . 1 1 33 33 LEU N N 15 112.507 0.2 . . . . . . . 33 L N . 27664 1 57 . 1 1 34 34 THR H H 1 7.405 0.01 . . . . . . . 34 T H . 27664 1 58 . 1 1 34 34 THR N N 15 114.037 0.2 . . . . . . . 34 T N . 27664 1 59 . 1 1 35 35 TRP H H 1 9.637 0.01 . . . . . . . 35 W H . 27664 1 60 . 1 1 35 35 TRP N N 15 127.297 0.2 . . . . . . . 35 W N . 27664 1 61 . 1 1 36 36 GLN H H 1 8.798 0.01 . . . . . . . 36 Q H . 27664 1 62 . 1 1 36 36 GLN N N 15 118.621 0.2 . . . . . . . 36 Q N . 27664 1 63 . 1 1 37 37 GLY H H 1 8.167 0.01 . . . . . . . 37 G H . 27664 1 64 . 1 1 37 37 GLY N N 15 103.744 0.2 . . . . . . . 37 G N . 27664 1 65 . 1 1 38 38 LEU H H 1 8.629 0.01 . . . . . . . 38 L H . 27664 1 66 . 1 1 38 38 LEU N N 15 120.695 0.2 . . . . . . . 38 L N . 27664 1 67 . 1 1 39 39 ILE H H 1 9.686 0.01 . . . . . . . 39 I H . 27664 1 68 . 1 1 39 39 ILE N N 15 124.519 0.2 . . . . . . . 39 I N . 27664 1 69 . 1 1 40 40 VAL H H 1 8.653 0.01 . . . . . . . 40 V H . 27664 1 70 . 1 1 40 40 VAL N N 15 129.175 0.2 . . . . . . . 40 V N . 27664 1 71 . 1 1 42 42 ASP N N 15 119.047 0.2 . . . . . . . 42 D N . 27664 1 72 . 1 1 43 43 ASN H H 1 7.853 0.01 . . . . . . . 43 N H . 27664 1 73 . 1 1 43 43 ASN N N 15 116.135 0.2 . . . . . . . 43 N N . 27664 1 74 . 1 1 46 46 TYR N N 15 121.252 0.2 . . . . . . . 46 Y N . 27664 1 75 . 1 1 47 47 ASP H H 1 8.123 0.01 . . . . . . . 47 D H . 27664 1 76 . 1 1 47 47 ASP N N 15 115.994 0.2 . . . . . . . 47 D N . 27664 1 77 . 1 1 48 48 LYS H H 1 8.099 0.01 . . . . . . . 48 K H . 27664 1 78 . 1 1 48 48 LYS N N 15 115.496 0.2 . . . . . . . 48 K N . 27664 1 79 . 1 1 49 49 GLY H H 1 7.742 0.01 . . . . . . . 49 G H . 27664 1 80 . 1 1 49 49 GLY N N 15 107.145 0.2 . . . . . . . 49 G N . 27664 1 81 . 1 1 50 50 ALA H H 1 7.638 0.01 . . . . . . . 50 A H . 27664 1 82 . 1 1 50 50 ALA N N 15 118.434 0.2 . . . . . . . 50 A N . 27664 1 83 . 1 1 51 51 PHE H H 1 8.853 0.01 . . . . . . . 51 F H . 27664 1 84 . 1 1 51 51 PHE N N 15 115.226 0.2 . . . . . . . 51 F N . 27664 1 85 . 1 1 52 52 ARG H H 1 10.045 0.01 . . . . . . . 52 R H . 27664 1 86 . 1 1 52 52 ARG N N 15 126.443 0.2 . . . . . . . 52 R N . 27664 1 87 . 1 1 53 53 ILE H H 1 8.931 0.01 . . . . . . . 53 I H . 27664 1 88 . 1 1 53 53 ILE N N 15 117.657 0.2 . . . . . . . 53 I N . 27664 1 89 . 1 1 54 54 GLU H H 1 8.997 0.01 . . . . . . . 54 E H . 27664 1 90 . 1 1 54 54 GLU N N 15 121.543 0.2 . . . . . . . 54 E N . 27664 1 91 . 1 1 55 55 ILE H H 1 9.410 0.01 . . . . . . . 55 I H . 27664 1 92 . 1 1 55 55 ILE N N 15 125.694 0.2 . . . . . . . 55 I N . 27664 1 93 . 1 1 56 56 ASN H H 1 8.691 0.01 . . . . . . . 56 N H . 27664 1 94 . 1 1 56 56 ASN N N 15 123.469 0.2 . . . . . . . 56 N N . 27664 1 95 . 1 1 57 57 PHE H H 1 9.664 0.01 . . . . . . . 57 F H . 27664 1 96 . 1 1 57 57 PHE N N 15 127.011 0.2 . . . . . . . 57 F N . 27664 1 97 . 1 1 59 59 ALA N N 15 122.401 0.2 . . . . . . . 59 A N . 27664 1 98 . 1 1 60 60 GLU H H 1 8.391 0.01 . . . . . . . 60 E H . 27664 1 99 . 1 1 60 60 GLU N N 15 110.663 0.2 . . . . . . . 60 E N . 27664 1 100 . 1 1 61 61 TYR H H 1 8.112 0.01 . . . . . . . 61 Y H . 27664 1 101 . 1 1 61 61 TYR N N 15 123.915 0.2 . . . . . . . 61 Y N . 27664 1 102 . 1 1 63 63 PHE N N 15 125.519 0.2 . . . . . . . 63 F N . 27664 1 103 . 1 1 64 64 LYS H H 1 7.011 0.01 . . . . . . . 64 K H . 27664 1 104 . 1 1 64 64 LYS N N 15 117.163 0.2 . . . . . . . 64 K N . 27664 1 105 . 1 1 67 67 LYS N N 15 116.935 0.2 . . . . . . . 67 K N . 27664 1 106 . 1 1 68 68 ILE H H 1 8.504 0.01 . . . . . . . 68 I H . 27664 1 107 . 1 1 68 68 ILE N N 15 124.545 0.2 . . . . . . . 68 I N . 27664 1 108 . 1 1 69 69 THR H H 1 8.713 0.01 . . . . . . . 69 T H . 27664 1 109 . 1 1 69 69 THR N N 15 120.523 0.2 . . . . . . . 69 T N . 27664 1 110 . 1 1 70 70 PHE H H 1 10.451 0.01 . . . . . . . 70 F H . 27664 1 111 . 1 1 70 70 PHE N N 15 126.908 0.2 . . . . . . . 70 F N . 27664 1 112 . 1 1 71 71 LYS H H 1 9.040 0.01 . . . . . . . 71 K H . 27664 1 113 . 1 1 71 71 LYS N N 15 123.834 0.2 . . . . . . . 71 K N . 27664 1 114 . 1 1 72 72 THR H H 1 7.477 0.01 . . . . . . . 72 T H . 27664 1 115 . 1 1 72 72 THR N N 15 118.849 0.2 . . . . . . . 72 T N . 27664 1 116 . 1 1 73 73 LYS H H 1 9.022 0.01 . . . . . . . 73 K H . 27664 1 117 . 1 1 73 73 LYS N N 15 126.708 0.2 . . . . . . . 73 K N . 27664 1 118 . 1 1 74 74 ILE H H 1 8.033 0.01 . . . . . . . 74 I H . 27664 1 119 . 1 1 74 74 ILE N N 15 118.898 0.2 . . . . . . . 74 I N . 27664 1 120 . 1 1 75 75 TYR H H 1 8.436 0.01 . . . . . . . 75 Y H . 27664 1 121 . 1 1 75 75 TYR N N 15 131.905 0.2 . . . . . . . 75 Y N . 27664 1 122 . 1 1 76 76 HIS H H 1 8.780 0.01 . . . . . . . 76 H H . 27664 1 123 . 1 1 76 76 HIS N N 15 128.809 0.2 . . . . . . . 76 H N . 27664 1 124 . 1 1 78 78 ASN N N 15 118.968 0.2 . . . . . . . 78 N N . 27664 1 125 . 1 1 79 79 ILE H H 1 7.268 0.01 . . . . . . . 79 I H . 27664 1 126 . 1 1 79 79 ILE N N 15 120.325 0.2 . . . . . . . 79 I N . 27664 1 127 . 1 1 80 80 ASP H H 1 8.671 0.01 . . . . . . . 80 D H . 27664 1 128 . 1 1 80 80 ASP N N 15 124.895 0.2 . . . . . . . 80 D N . 27664 1 129 . 1 1 81 81 GLU H H 1 9.149 0.01 . . . . . . . 81 E H . 27664 1 130 . 1 1 81 81 GLU N N 15 115.894 0.2 . . . . . . . 81 E N . 27664 1 131 . 1 1 82 82 LYS H H 1 8.112 0.01 . . . . . . . 82 K H . 27664 1 132 . 1 1 82 82 LYS N N 15 118.436 0.2 . . . . . . . 82 K N . 27664 1 133 . 1 1 83 83 GLY H H 1 8.140 0.01 . . . . . . . 83 G H . 27664 1 134 . 1 1 83 83 GLY N N 15 109.547 0.2 . . . . . . . 83 G N . 27664 1 135 . 1 1 84 84 GLN H H 1 8.673 0.01 . . . . . . . 84 Q H . 27664 1 136 . 1 1 84 84 GLN N N 15 120.657 0.2 . . . . . . . 84 Q N . 27664 1 137 . 1 1 85 85 VAL H H 1 8.186 0.01 . . . . . . . 85 V H . 27664 1 138 . 1 1 85 85 VAL N N 15 117.765 0.2 . . . . . . . 85 V N . 27664 1 139 . 1 1 86 86 LYS H H 1 8.108 0.01 . . . . . . . 86 K H . 27664 1 140 . 1 1 86 86 LYS N N 15 129.717 0.2 . . . . . . . 86 K N . 27664 1 141 . 1 1 87 87 LEU H H 1 7.651 0.01 . . . . . . . 87 L H . 27664 1 142 . 1 1 87 87 LEU N N 15 125.501 0.2 . . . . . . . 87 L N . 27664 1 143 . 1 1 89 89 VAL N N 15 113.872 0.2 . . . . . . . 89 V N . 27664 1 144 . 1 1 90 90 ILE H H 1 7.391 0.01 . . . . . . . 90 I H . 27664 1 145 . 1 1 90 90 ILE N N 15 107.145 0.2 . . . . . . . 90 I N . 27664 1 146 . 1 1 91 91 SER H H 1 7.772 0.01 . . . . . . . 91 S H . 27664 1 147 . 1 1 91 91 SER N N 15 118.428 0.2 . . . . . . . 91 S N . 27664 1 148 . 1 1 92 92 ALA H H 1 9.062 0.01 . . . . . . . 92 A H . 27664 1 149 . 1 1 92 92 ALA N N 15 126.532 0.2 . . . . . . . 92 A N . 27664 1 150 . 1 1 93 93 GLU H H 1 9.043 0.01 . . . . . . . 93 E H . 27664 1 151 . 1 1 93 93 GLU N N 15 114.369 0.2 . . . . . . . 93 E N . 27664 1 152 . 1 1 94 94 ASN H H 1 7.483 0.01 . . . . . . . 94 N H . 27664 1 153 . 1 1 94 94 ASN N N 15 114.690 0.2 . . . . . . . 94 N N . 27664 1 154 . 1 1 95 95 TRP H H 1 7.931 0.01 . . . . . . . 95 W H . 27664 1 155 . 1 1 95 95 TRP N N 15 121.710 0.2 . . . . . . . 95 W N . 27664 1 156 . 1 1 96 96 LYS H H 1 6.708 0.01 . . . . . . . 96 K H . 27664 1 157 . 1 1 96 96 LYS N N 15 126.486 0.2 . . . . . . . 96 K N . 27664 1 158 . 1 1 98 98 ALA N N 15 115.706 0.2 . . . . . . . 98 A N . 27664 1 159 . 1 1 99 99 THR H H 1 7.504 0.01 . . . . . . . 99 T H . 27664 1 160 . 1 1 99 99 THR N N 15 117.992 0.2 . . . . . . . 99 T N . 27664 1 161 . 1 1 100 100 LYS H H 1 8.169 0.01 . . . . . . . 100 K H . 27664 1 162 . 1 1 100 100 LYS N N 15 124.696 0.2 . . . . . . . 100 K N . 27664 1 163 . 1 1 101 101 THR H H 1 9.512 0.01 . . . . . . . 101 T H . 27664 1 164 . 1 1 101 101 THR N N 15 119.993 0.2 . . . . . . . 101 T N . 27664 1 165 . 1 1 102 102 ASP H H 1 9.427 0.01 . . . . . . . 102 D H . 27664 1 166 . 1 1 102 102 ASP N N 15 120.882 0.2 . . . . . . . 102 D N . 27664 1 167 . 1 1 103 103 GLN H H 1 7.436 0.01 . . . . . . . 103 Q H . 27664 1 168 . 1 1 103 103 GLN N N 15 120.640 0.2 . . . . . . . 103 Q N . 27664 1 169 . 1 1 104 104 VAL H H 1 7.740 0.01 . . . . . . . 104 V H . 27664 1 170 . 1 1 104 104 VAL N N 15 122.025 0.2 . . . . . . . 104 V N . 27664 1 171 . 1 1 105 105 ILE H H 1 8.468 0.01 . . . . . . . 105 I H . 27664 1 172 . 1 1 105 105 ILE N N 15 118.424 0.2 . . . . . . . 105 I N . 27664 1 173 . 1 1 106 106 GLN H H 1 8.310 0.01 . . . . . . . 106 Q H . 27664 1 174 . 1 1 106 106 GLN N N 15 118.438 0.2 . . . . . . . 106 Q N . 27664 1 175 . 1 1 107 107 SER H H 1 8.153 0.01 . . . . . . . 107 S H . 27664 1 176 . 1 1 107 107 SER N N 15 116.259 0.2 . . . . . . . 107 S N . 27664 1 177 . 1 1 108 108 LEU H H 1 8.274 0.01 . . . . . . . 108 L H . 27664 1 178 . 1 1 108 108 LEU N N 15 124.581 0.2 . . . . . . . 108 L N . 27664 1 179 . 1 1 109 109 ILE H H 1 8.582 0.01 . . . . . . . 109 I H . 27664 1 180 . 1 1 109 109 ILE N N 15 119.880 0.2 . . . . . . . 109 I N . 27664 1 181 . 1 1 110 110 ALA H H 1 7.890 0.01 . . . . . . . 110 A H . 27664 1 182 . 1 1 110 110 ALA N N 15 120.611 0.2 . . . . . . . 110 A N . 27664 1 183 . 1 1 111 111 LEU H H 1 7.564 0.01 . . . . . . . 111 L H . 27664 1 184 . 1 1 111 111 LEU N N 15 120.311 0.2 . . . . . . . 111 L N . 27664 1 185 . 1 1 112 112 VAL H H 1 7.985 0.01 . . . . . . . 112 V H . 27664 1 186 . 1 1 112 112 VAL N N 15 119.478 0.2 . . . . . . . 112 V N . 27664 1 187 . 1 1 113 113 ASN H H 1 7.930 0.01 . . . . . . . 113 N H . 27664 1 188 . 1 1 113 113 ASN N N 15 111.487 0.2 . . . . . . . 113 N N . 27664 1 189 . 1 1 114 114 ASP H H 1 8.032 0.01 . . . . . . . 114 D H . 27664 1 190 . 1 1 114 114 ASP N N 15 118.403 0.2 . . . . . . . 114 D N . 27664 1 191 . 1 1 116 116 GLN N N 15 118.597 0.2 . . . . . . . 116 Q N . 27664 1 192 . 1 1 118 118 GLU N N 15 117.875 0.2 . . . . . . . 118 E N . 27664 1 193 . 1 1 119 119 HIS H H 1 7.014 0.01 . . . . . . . 119 H H . 27664 1 194 . 1 1 119 119 HIS N N 15 115.054 0.2 . . . . . . . 119 H N . 27664 1 195 . 1 1 121 121 LEU N N 15 115.662 0.2 . . . . . . . 121 L N . 27664 1 196 . 1 1 122 122 ARG H H 1 7.636 0.01 . . . . . . . 122 R H . 27664 1 197 . 1 1 122 122 ARG N N 15 118.475 0.2 . . . . . . . 122 R N . 27664 1 198 . 1 1 124 124 ASP H H 1 9.253 0.01 . . . . . . . 124 D H . 27664 1 199 . 1 1 124 124 ASP N N 15 117.256 0.2 . . . . . . . 124 D N . 27664 1 200 . 1 1 125 125 LEU H H 1 7.547 0.01 . . . . . . . 125 L H . 27664 1 201 . 1 1 125 125 LEU N N 15 123.287 0.2 . . . . . . . 125 L N . 27664 1 202 . 1 1 126 126 ALA H H 1 8.021 0.01 . . . . . . . 126 A H . 27664 1 203 . 1 1 126 126 ALA N N 15 121.292 0.2 . . . . . . . 126 A N . 27664 1 204 . 1 1 127 127 GLU H H 1 7.868 0.01 . . . . . . . 127 E H . 27664 1 205 . 1 1 127 127 GLU N N 15 119.094 0.2 . . . . . . . 127 E N . 27664 1 206 . 1 1 128 128 GLU H H 1 7.778 0.01 . . . . . . . 128 E H . 27664 1 207 . 1 1 128 128 GLU N N 15 121.092 0.2 . . . . . . . 128 E N . 27664 1 208 . 1 1 129 129 TYR H H 1 8.512 0.01 . . . . . . . 129 Y H . 27664 1 209 . 1 1 129 129 TYR N N 15 116.867 0.2 . . . . . . . 129 Y N . 27664 1 210 . 1 1 130 130 SER H H 1 7.831 0.01 . . . . . . . 130 S H . 27664 1 211 . 1 1 130 130 SER N N 15 110.481 0.2 . . . . . . . 130 S N . 27664 1 212 . 1 1 131 131 LYS H H 1 8.506 0.01 . . . . . . . 131 K H . 27664 1 213 . 1 1 131 131 LYS N N 15 119.285 0.2 . . . . . . . 131 K N . 27664 1 214 . 1 1 132 132 ASP H H 1 8.521 0.01 . . . . . . . 132 D H . 27664 1 215 . 1 1 132 132 ASP N N 15 122.360 0.2 . . . . . . . 132 D N . 27664 1 216 . 1 1 133 133 ARG H H 1 8.505 0.01 . . . . . . . 133 R H . 27664 1 217 . 1 1 133 133 ARG N N 15 124.381 0.2 . . . . . . . 133 R N . 27664 1 218 . 1 1 134 134 LYS H H 1 8.442 0.01 . . . . . . . 134 K H . 27664 1 219 . 1 1 134 134 LYS N N 15 118.386 0.2 . . . . . . . 134 K N . 27664 1 220 . 1 1 135 135 LYS H H 1 7.541 0.01 . . . . . . . 135 K H . 27664 1 221 . 1 1 135 135 LYS N N 15 123.587 0.2 . . . . . . . 135 K N . 27664 1 222 . 1 1 136 136 PHE H H 1 8.511 0.01 . . . . . . . 136 F H . 27664 1 223 . 1 1 136 136 PHE N N 15 118.688 0.2 . . . . . . . 136 F N . 27664 1 224 . 1 1 137 137 SER H H 1 8.890 0.01 . . . . . . . 137 S H . 27664 1 225 . 1 1 137 137 SER N N 15 114.187 0.2 . . . . . . . 137 S N . 27664 1 226 . 1 1 138 138 LYS H H 1 7.679 0.01 . . . . . . . 138 K H . 27664 1 227 . 1 1 138 138 LYS N N 15 122.425 0.2 . . . . . . . 138 K N . 27664 1 228 . 1 1 139 139 ASN H H 1 8.113 0.01 . . . . . . . 139 N H . 27664 1 229 . 1 1 139 139 ASN N N 15 118.523 0.2 . . . . . . . 139 N N . 27664 1 230 . 1 1 140 140 ALA H H 1 8.960 0.01 . . . . . . . 140 A H . 27664 1 231 . 1 1 140 140 ALA N N 15 124.001 0.2 . . . . . . . 140 A N . 27664 1 232 . 1 1 141 141 GLU H H 1 8.781 0.01 . . . . . . . 141 E H . 27664 1 233 . 1 1 141 141 GLU N N 15 123.179 0.2 . . . . . . . 141 E N . 27664 1 234 . 1 1 142 142 GLU H H 1 8.104 0.01 . . . . . . . 142 E H . 27664 1 235 . 1 1 142 142 GLU N N 15 120.030 0.2 . . . . . . . 142 E N . 27664 1 236 . 1 1 143 143 PHE H H 1 8.363 0.01 . . . . . . . 143 F H . 27664 1 237 . 1 1 143 143 PHE N N 15 122.012 0.2 . . . . . . . 143 F N . 27664 1 238 . 1 1 144 144 THR H H 1 8.800 0.01 . . . . . . . 144 T H . 27664 1 239 . 1 1 144 144 THR N N 15 120.319 0.2 . . . . . . . 144 T N . 27664 1 240 . 1 1 145 145 LYS H H 1 8.090 0.01 . . . . . . . 145 K H . 27664 1 241 . 1 1 145 145 LYS N N 15 121.488 0.2 . . . . . . . 145 K N . 27664 1 242 . 1 1 146 146 LYS H H 1 7.789 0.01 . . . . . . . 146 K H . 27664 1 243 . 1 1 146 146 LYS N N 15 117.227 0.2 . . . . . . . 146 K N . 27664 1 244 . 1 1 147 147 TYR H H 1 7.898 0.01 . . . . . . . 147 Y H . 27664 1 245 . 1 1 147 147 TYR N N 15 112.571 0.2 . . . . . . . 147 Y N . 27664 1 246 . 1 1 148 148 GLY H H 1 8.193 0.01 . . . . . . . 148 G H . 27664 1 247 . 1 1 148 148 GLY N N 15 108.335 0.2 . . . . . . . 148 G N . 27664 1 248 . 1 1 149 149 GLU H H 1 8.128 0.01 . . . . . . . 149 E H . 27664 1 249 . 1 1 149 149 GLU N N 15 117.418 0.2 . . . . . . . 149 E N . 27664 1 250 . 1 1 150 150 LYS H H 1 8.319 0.01 . . . . . . . 150 K H . 27664 1 251 . 1 1 150 150 LYS N N 15 120.262 0.2 . . . . . . . 150 K N . 27664 1 252 . 1 1 151 151 ARG H H 1 8.498 0.01 . . . . . . . 151 R H . 27664 1 253 . 1 1 151 151 ARG N N 15 123.874 0.2 . . . . . . . 151 R N . 27664 1 254 . 1 1 153 153 VAL N N 15 119.039 0.2 . . . . . . . 153 V N . 27664 1 255 . 1 1 154 154 ASP H H 1 7.986 0.01 . . . . . . . 154 D H . 27664 1 256 . 1 1 154 154 ASP N N 15 128.448 0.2 . . . . . . . 154 D N . 27664 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27664 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Assignments were made by comparing to BMRB 15498, 4769 and published literature.' _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' . . . 27664 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $NMRView . . 27664 2 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 . 2 2 1 1 MET H H 1 9.138 0.01 . . . . . . . 201 M H . 27664 2 2 . 2 2 1 1 MET N N 15 118.706 0.2 . . . . . . . 201 M N . 27664 2 3 . 2 2 2 2 GLN H H 1 8.288 0.01 . . . . . . . 202 Q H . 27664 2 4 . 2 2 2 2 GLN N N 15 120.090 0.2 . . . . . . . 202 Q N . 27664 2 5 . 2 2 3 3 ILE H H 1 8.354 0.01 . . . . . . . 203 I H . 27664 2 6 . 2 2 3 3 ILE N N 15 114.965 0.2 . . . . . . . 203 I N . 27664 2 7 . 2 2 4 4 PHE H H 1 8.619 0.01 . . . . . . . 204 F H . 27664 2 8 . 2 2 4 4 PHE N N 15 118.572 0.2 . . . . . . . 204 F N . 27664 2 9 . 2 2 5 5 VAL H H 1 9.297 0.01 . . . . . . . 205 V H . 27664 2 10 . 2 2 5 5 VAL N N 15 121.189 0.2 . . . . . . . 205 V N . 27664 2 11 . 2 2 6 6 LYS H H 1 8.996 0.01 . . . . . . . 206 K H . 27664 2 12 . 2 2 6 6 LYS N N 15 127.945 0.2 . . . . . . . 206 K N . 27664 2 13 . 2 2 7 7 THR H H 1 8.770 0.01 . . . . . . . 207 T H . 27664 2 14 . 2 2 7 7 THR N N 15 115.582 0.2 . . . . . . . 207 T N . 27664 2 15 . 2 2 8 8 LEU H H 1 9.142 0.01 . . . . . . . 208 L H . 27664 2 16 . 2 2 8 8 LEU N N 15 121.127 0.2 . . . . . . . 208 L N . 27664 2 17 . 2 2 9 9 THR H H 1 7.600 0.01 . . . . . . . 209 T H . 27664 2 18 . 2 2 9 9 THR N N 15 105.265 0.2 . . . . . . . 209 T N . 27664 2 19 . 2 2 10 10 GLY H H 1 7.831 0.01 . . . . . . . 210 G H . 27664 2 20 . 2 2 10 10 GLY N N 15 109.317 0.2 . . . . . . . 210 G N . 27664 2 21 . 2 2 11 11 LYS H H 1 7.281 0.01 . . . . . . . 211 K H . 27664 2 22 . 2 2 11 11 LYS N N 15 121.926 0.2 . . . . . . . 211 K N . 27664 2 23 . 2 2 12 12 THR H H 1 8.653 0.01 . . . . . . . 212 T H . 27664 2 24 . 2 2 12 12 THR N N 15 120.506 0.2 . . . . . . . 212 T N . 27664 2 25 . 2 2 13 13 ILE H H 1 9.579 0.01 . . . . . . . 213 I H . 27664 2 26 . 2 2 13 13 ILE N N 15 127.780 0.2 . . . . . . . 213 I N . 27664 2 27 . 2 2 14 14 THR H H 1 8.753 0.01 . . . . . . . 214 T H . 27664 2 28 . 2 2 14 14 THR N N 15 121.818 0.2 . . . . . . . 214 T N . 27664 2 29 . 2 2 15 15 LEU H H 1 8.852 0.01 . . . . . . . 215 L H . 27664 2 30 . 2 2 15 15 LEU N N 15 125.422 0.2 . . . . . . . 215 L N . 27664 2 31 . 2 2 16 16 GLU H H 1 8.173 0.01 . . . . . . . 216 E H . 27664 2 32 . 2 2 16 16 GLU N N 15 121.820 0.2 . . . . . . . 216 E N . 27664 2 33 . 2 2 17 17 VAL H H 1 8.775 0.01 . . . . . . . 217 V H . 27664 2 34 . 2 2 17 17 VAL N N 15 116.913 0.2 . . . . . . . 217 V N . 27664 2 35 . 2 2 18 18 GLU H H 1 8.554 0.01 . . . . . . . 218 E H . 27664 2 36 . 2 2 18 18 GLU N N 15 118.302 0.2 . . . . . . . 218 E N . 27664 2 37 . 2 2 19 19 SER H H 1 8.962 0.01 . . . . . . . 219 S H . 27664 2 38 . 2 2 19 19 SER N N 15 117.343 0.2 . . . . . . . 219 S N . 27664 2 39 . 2 2 20 20 SER H H 1 7.313 0.01 . . . . . . . 220 S H . 27664 2 40 . 2 2 20 20 SER N N 15 108.858 0.2 . . . . . . . 220 S N . 27664 2 41 . 2 2 21 21 ASP H H 1 7.914 0.01 . . . . . . . 221 D H . 27664 2 42 . 2 2 21 21 ASP N N 15 123.364 0.2 . . . . . . . 221 D N . 27664 2 43 . 2 2 22 22 THR H H 1 7.997 0.01 . . . . . . . 222 T H . 27664 2 44 . 2 2 22 22 THR N N 15 108.427 0.2 . . . . . . . 222 T N . 27664 2 45 . 2 2 23 23 ILE H H 1 8.705 0.01 . . . . . . . 223 I H . 27664 2 46 . 2 2 23 23 ILE N N 15 121.188 0.2 . . . . . . . 223 I N . 27664 2 47 . 2 2 24 24 ASP H H 1 9.446 0.01 . . . . . . . 224 D H . 27664 2 48 . 2 2 24 24 ASP N N 15 118.121 0.2 . . . . . . . 224 D N . 27664 2 49 . 2 2 25 25 ASN H H 1 8.025 0.01 . . . . . . . 225 N H . 27664 2 50 . 2 2 25 25 ASN N N 15 119.432 0.2 . . . . . . . 225 N N . 27664 2 51 . 2 2 26 26 VAL H H 1 8.106 0.01 . . . . . . . 226 V H . 27664 2 52 . 2 2 26 26 VAL N N 15 121.987 0.2 . . . . . . . 226 V N . 27664 2 53 . 2 2 27 27 LYS H H 1 8.569 0.01 . . . . . . . 227 K H . 27664 2 54 . 2 2 27 27 LYS N N 15 118.784 0.2 . . . . . . . 227 K N . 27664 2 55 . 2 2 28 28 SER H H 1 8.131 0.01 . . . . . . . 228 S H . 27664 2 56 . 2 2 28 28 SER N N 15 117.318 0.2 . . . . . . . 228 S N . 27664 2 57 . 2 2 29 29 LYS H H 1 7.953 0.01 . . . . . . . 229 K H . 27664 2 58 . 2 2 29 29 LYS N N 15 123.110 0.2 . . . . . . . 229 K N . 27664 2 59 . 2 2 30 30 ILE H H 1 8.339 0.01 . . . . . . . 230 I H . 27664 2 60 . 2 2 30 30 ILE N N 15 121.133 0.2 . . . . . . . 230 I N . 27664 2 61 . 2 2 31 31 GLN H H 1 8.515 0.01 . . . . . . . 231 Q H . 27664 2 62 . 2 2 31 31 GLN N N 15 123.491 0.2 . . . . . . . 231 Q N . 27664 2 63 . 2 2 32 32 ASP H H 1 8.054 0.01 . . . . . . . 232 D H . 27664 2 64 . 2 2 32 32 ASP N N 15 119.826 0.2 . . . . . . . 232 D N . 27664 2 65 . 2 2 33 33 LYS H H 1 7.471 0.01 . . . . . . . 233 K H . 27664 2 66 . 2 2 33 33 LYS N N 15 115.624 0.2 . . . . . . . 233 K N . 27664 2 67 . 2 2 34 34 GLU H H 1 8.747 0.01 . . . . . . . 234 E H . 27664 2 68 . 2 2 34 34 GLU N N 15 114.311 0.2 . . . . . . . 234 E N . 27664 2 69 . 2 2 35 35 GLY H H 1 8.498 0.01 . . . . . . . 235 G H . 27664 2 70 . 2 2 35 35 GLY N N 15 108.910 0.2 . . . . . . . 235 G N . 27664 2 71 . 2 2 36 36 ILE H H 1 6.160 0.01 . . . . . . . 236 I H . 27664 2 72 . 2 2 36 36 ILE N N 15 120.255 0.2 . . . . . . . 236 I N . 27664 2 73 . 2 2 39 39 ASP H H 1 8.511 0.01 . . . . . . . 239 D H . 27664 2 74 . 2 2 39 39 ASP N N 15 113.438 0.2 . . . . . . . 239 D N . 27664 2 75 . 2 2 40 40 GLN H H 1 7.848 0.01 . . . . . . . 240 Q H . 27664 2 76 . 2 2 40 40 GLN N N 15 116.925 0.2 . . . . . . . 240 Q N . 27664 2 77 . 2 2 41 41 GLN H H 1 7.503 0.01 . . . . . . . 241 Q H . 27664 2 78 . 2 2 41 41 GLN N N 15 118.058 0.2 . . . . . . . 241 Q N . 27664 2 79 . 2 2 42 42 ARG H H 1 8.538 0.01 . . . . . . . 242 R H . 27664 2 80 . 2 2 42 42 ARG N N 15 123.225 0.2 . . . . . . . 242 R N . 27664 2 81 . 2 2 43 43 LEU H H 1 8.783 0.01 . . . . . . . 243 L H . 27664 2 82 . 2 2 43 43 LEU N N 15 124.206 0.2 . . . . . . . 243 L N . 27664 2 83 . 2 2 44 44 ILE H H 1 9.159 0.01 . . . . . . . 244 I H . 27664 2 84 . 2 2 44 44 ILE N N 15 122.265 0.2 . . . . . . . 244 I N . 27664 2 85 . 2 2 45 45 PHE H H 1 8.869 0.01 . . . . . . . 245 F H . 27664 2 86 . 2 2 45 45 PHE N N 15 124.841 0.2 . . . . . . . 245 F N . 27664 2 87 . 2 2 46 46 ALA H H 1 9.020 0.01 . . . . . . . 246 A H . 27664 2 88 . 2 2 46 46 ALA N N 15 100.082 0.2 . . . . . . . 246 A N . 27664 2 89 . 2 2 47 47 GLY H H 1 8.161 0.01 . . . . . . . 247 G H . 27664 2 90 . 2 2 47 47 GLY N N 15 102.556 0.2 . . . . . . . 247 G N . 27664 2 91 . 2 2 48 48 LYS H H 1 7.927 0.01 . . . . . . . 248 K H . 27664 2 92 . 2 2 48 48 LYS N N 15 121.402 0.2 . . . . . . . 248 K N . 27664 2 93 . 2 2 49 49 GLN H H 1 8.852 0.01 . . . . . . . 249 Q H . 27664 2 94 . 2 2 49 49 GLN N N 15 123.265 0.2 . . . . . . . 249 Q N . 27664 2 95 . 2 2 50 50 LEU H H 1 8.580 0.01 . . . . . . . 250 L H . 27664 2 96 . 2 2 50 50 LEU N N 15 125.818 0.2 . . . . . . . 250 L N . 27664 2 97 . 2 2 51 51 GLU H H 1 8.409 0.01 . . . . . . . 251 E H . 27664 2 98 . 2 2 51 51 GLU N N 15 123.007 0.2 . . . . . . . 251 E N . 27664 2 99 . 2 2 52 52 ASP H H 1 8.104 0.01 . . . . . . . 252 D H . 27664 2 100 . 2 2 52 52 ASP N N 15 120.030 0.2 . . . . . . . 252 D N . 27664 2 101 . 2 2 53 53 GLY H H 1 9.528 0.01 . . . . . . . 253 G H . 27664 2 102 . 2 2 53 53 GLY N N 15 107.334 0.2 . . . . . . . 253 G N . 27664 2 103 . 2 2 54 54 ARG H H 1 7.413 0.01 . . . . . . . 254 R H . 27664 2 104 . 2 2 54 54 ARG N N 15 119.164 0.2 . . . . . . . 254 R N . 27664 2 105 . 2 2 55 55 THR H H 1 8.870 0.01 . . . . . . . 255 T H . 27664 2 106 . 2 2 55 55 THR N N 15 109.051 0.2 . . . . . . . 255 T N . 27664 2 107 . 2 2 56 56 LEU H H 1 8.213 0.01 . . . . . . . 256 L H . 27664 2 108 . 2 2 56 56 LEU N N 15 117.846 0.2 . . . . . . . 256 L N . 27664 2 109 . 2 2 57 57 SER H H 1 8.219 0.01 . . . . . . . 257 S H . 27664 2 110 . 2 2 57 57 SER N N 15 112.920 0.2 . . . . . . . 257 S N . 27664 2 111 . 2 2 58 58 ASP H H 1 7.937 0.01 . . . . . . . 258 D H . 27664 2 112 . 2 2 58 58 ASP N N 15 124.243 0.2 . . . . . . . 258 D N . 27664 2 113 . 2 2 59 59 TYR H H 1 7.234 0.01 . . . . . . . 259 Y H . 27664 2 114 . 2 2 59 59 TYR N N 15 115.535 0.2 . . . . . . . 259 Y N . 27664 2 115 . 2 2 60 60 ASN H H 1 8.152 0.01 . . . . . . . 260 N H . 27664 2 116 . 2 2 60 60 ASN N N 15 116.206 0.2 . . . . . . . 260 N N . 27664 2 117 . 2 2 61 61 ILE H H 1 7.258 0.01 . . . . . . . 261 I H . 27664 2 118 . 2 2 61 61 ILE N N 15 118.868 0.2 . . . . . . . 261 I N . 27664 2 119 . 2 2 62 62 GLN H H 1 7.665 0.01 . . . . . . . 262 Q H . 27664 2 120 . 2 2 62 62 GLN N N 15 124.908 0.2 . . . . . . . 262 Q N . 27664 2 121 . 2 2 63 63 LYS H H 1 8.454 0.01 . . . . . . . 263 K H . 27664 2 122 . 2 2 63 63 LYS N N 15 120.182 0.2 . . . . . . . 263 K N . 27664 2 123 . 2 2 64 64 GLU H H 1 9.246 0.01 . . . . . . . 264 E H . 27664 2 124 . 2 2 64 64 GLU N N 15 114.647 0.2 . . . . . . . 264 E N . 27664 2 125 . 2 2 65 65 SER H H 1 7.706 0.01 . . . . . . . 265 S H . 27664 2 126 . 2 2 65 65 SER N N 15 114.993 0.2 . . . . . . . 265 S N . 27664 2 127 . 2 2 66 66 THR H H 1 8.713 0.01 . . . . . . . 266 T H . 27664 2 128 . 2 2 66 66 THR N N 15 117.366 0.2 . . . . . . . 266 T N . 27664 2 129 . 2 2 67 67 LEU H H 1 9.421 0.01 . . . . . . . 267 L H . 27664 2 130 . 2 2 67 67 LEU N N 15 127.582 0.2 . . . . . . . 267 L N . 27664 2 131 . 2 2 68 68 HIS H H 1 9.261 0.01 . . . . . . . 268 H H . 27664 2 132 . 2 2 68 68 HIS N N 15 119.791 0.2 . . . . . . . 268 H N . 27664 2 133 . 2 2 69 69 LEU H H 1 8.292 0.01 . . . . . . . 269 L H . 27664 2 134 . 2 2 69 69 LEU N N 15 123.771 0.2 . . . . . . . 269 L N . 27664 2 135 . 2 2 70 70 VAL H H 1 9.175 0.01 . . . . . . . 270 V H . 27664 2 136 . 2 2 70 70 VAL N N 15 126.591 0.2 . . . . . . . 270 V N . 27664 2 137 . 2 2 71 71 LEU H H 1 8.127 0.01 . . . . . . . 271 L H . 27664 2 138 . 2 2 71 71 LEU N N 15 122.968 0.2 . . . . . . . 271 L N . 27664 2 139 . 2 2 72 72 ARG H H 1 8.515 0.01 . . . . . . . 272 R H . 27664 2 140 . 2 2 72 72 ARG N N 15 123.439 0.2 . . . . . . . 272 R N . 27664 2 141 . 2 2 73 73 LEU H H 1 8.341 0.01 . . . . . . . 273 L H . 27664 2 142 . 2 2 73 73 LEU N N 15 124.677 0.2 . . . . . . . 273 L N . 27664 2 143 . 2 2 74 74 ARG H H 1 8.570 0.01 . . . . . . . 274 R H . 27664 2 144 . 2 2 74 74 ARG N N 15 122.351 0.2 . . . . . . . 274 R N . 27664 2 145 . 2 2 75 75 GLY H H 1 8.487 0.01 . . . . . . . 275 G H . 27664 2 146 . 2 2 75 75 GLY N N 15 110.456 0.2 . . . . . . . 275 G N . 27664 2 147 . 2 2 76 76 GLY H H 1 7.977 0.01 . . . . . . . 276 G H . 27664 2 148 . 2 2 76 76 GLY N N 15 115.825 0.2 . . . . . . . 276 G N . 27664 2 stop_ save_