data_25479 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25479 _Entry.Title ; Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-09 _Entry.Accession_date 2015-02-09 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Pankaj Kumar . . . . 25479 2 Pearl Magala . . . . 25479 3 Kathryn Gieger . . . . 25479 4 Ananya Majumdar . . . . 25479 5 Joel Tolman . R. . . 25479 6 Cynthia Wolberger . . . . 25479 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25479 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 76 25479 '1H chemical shifts' 76 25479 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 . . 2016-06-30 . original BMRB . 25479 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4R62 . 25479 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25479 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26286193 _Citation.Full_citation . _Citation.Title ; Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 18 _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 9039 _Citation.Page_last 9050 _Citation.Year 2015 _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 Pankaj Kumar . . . . 25479 1 2 Pearl Magala . . . . 25479 1 3 Kathryn Gieger . . . . 25479 1 4 Ananya Majumdar . . . . 25479 1 5 Joel Tolman . R. . . 25479 1 6 Cynthia Wolberger . . . . 25479 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25479 _Assembly.ID 1 _Assembly.Name Rad6 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 Rad6 1 $Rad6 A . yes native no no . . . 25479 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rad6 _Entity.Sf_category entity _Entity.Sf_framecode Rad6 _Entity.Entry_ID 25479 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rad6 _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 ; GSMSTPARRRLMRDFKRMKE DAPPGVSASPLPDNVMVWNA MIIGPADTPYEDGTFRLLLE FDEEYPNKPPHVKFLSEMFH PNVYANGEICLDILQNRWTP TYDVASILTSIQSLFNDPNP ASPANVEAATLFKDHKSQYV KRVKETVEKSWEDDMDDMDD DDDDDDDDD ; _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 169 _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_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 . 25479 1 2 0 SER . 25479 1 3 1 MET . 25479 1 4 2 SER . 25479 1 5 3 THR . 25479 1 6 4 PRO . 25479 1 7 5 ALA . 25479 1 8 6 ARG . 25479 1 9 7 ARG . 25479 1 10 8 ARG . 25479 1 11 9 LEU . 25479 1 12 10 MET . 25479 1 13 11 ARG . 25479 1 14 12 ASP . 25479 1 15 13 PHE . 25479 1 16 14 LYS . 25479 1 17 15 ARG . 25479 1 18 16 MET . 25479 1 19 17 LYS . 25479 1 20 18 GLU . 25479 1 21 19 ASP . 25479 1 22 20 ALA . 25479 1 23 21 PRO . 25479 1 24 22 PRO . 25479 1 25 23 GLY . 25479 1 26 24 VAL . 25479 1 27 25 SER . 25479 1 28 26 ALA . 25479 1 29 27 SER . 25479 1 30 28 PRO . 25479 1 31 29 LEU . 25479 1 32 30 PRO . 25479 1 33 31 ASP . 25479 1 34 32 ASN . 25479 1 35 33 VAL . 25479 1 36 34 MET . 25479 1 37 35 VAL . 25479 1 38 36 TRP . 25479 1 39 37 ASN . 25479 1 40 38 ALA . 25479 1 41 39 MET . 25479 1 42 40 ILE . 25479 1 43 41 ILE . 25479 1 44 42 GLY . 25479 1 45 43 PRO . 25479 1 46 44 ALA . 25479 1 47 45 ASP . 25479 1 48 46 THR . 25479 1 49 47 PRO . 25479 1 50 48 TYR . 25479 1 51 49 GLU . 25479 1 52 50 ASP . 25479 1 53 51 GLY . 25479 1 54 52 THR . 25479 1 55 53 PHE . 25479 1 56 54 ARG . 25479 1 57 55 LEU . 25479 1 58 56 LEU . 25479 1 59 57 LEU . 25479 1 60 58 GLU . 25479 1 61 59 PHE . 25479 1 62 60 ASP . 25479 1 63 61 GLU . 25479 1 64 62 GLU . 25479 1 65 63 TYR . 25479 1 66 64 PRO . 25479 1 67 65 ASN . 25479 1 68 66 LYS . 25479 1 69 67 PRO . 25479 1 70 68 PRO . 25479 1 71 69 HIS . 25479 1 72 70 VAL . 25479 1 73 71 LYS . 25479 1 74 72 PHE . 25479 1 75 73 LEU . 25479 1 76 74 SER . 25479 1 77 75 GLU . 25479 1 78 76 MET . 25479 1 79 77 PHE . 25479 1 80 78 HIS . 25479 1 81 79 PRO . 25479 1 82 80 ASN . 25479 1 83 81 VAL . 25479 1 84 82 TYR . 25479 1 85 83 ALA . 25479 1 86 84 ASN . 25479 1 87 85 GLY . 25479 1 88 86 GLU . 25479 1 89 87 ILE . 25479 1 90 88 CYS . 25479 1 91 89 LEU . 25479 1 92 90 ASP . 25479 1 93 91 ILE . 25479 1 94 92 LEU . 25479 1 95 93 GLN . 25479 1 96 94 ASN . 25479 1 97 95 ARG . 25479 1 98 96 TRP . 25479 1 99 97 THR . 25479 1 100 98 PRO . 25479 1 101 99 THR . 25479 1 102 100 TYR . 25479 1 103 101 ASP . 25479 1 104 102 VAL . 25479 1 105 103 ALA . 25479 1 106 104 SER . 25479 1 107 105 ILE . 25479 1 108 106 LEU . 25479 1 109 107 THR . 25479 1 110 108 SER . 25479 1 111 109 ILE . 25479 1 112 110 GLN . 25479 1 113 111 SER . 25479 1 114 112 LEU . 25479 1 115 113 PHE . 25479 1 116 114 ASN . 25479 1 117 115 ASP . 25479 1 118 116 PRO . 25479 1 119 117 ASN . 25479 1 120 118 PRO . 25479 1 121 119 ALA . 25479 1 122 120 SER . 25479 1 123 121 PRO . 25479 1 124 122 ALA . 25479 1 125 123 ASN . 25479 1 126 124 VAL . 25479 1 127 125 GLU . 25479 1 128 126 ALA . 25479 1 129 127 ALA . 25479 1 130 128 THR . 25479 1 131 129 LEU . 25479 1 132 130 PHE . 25479 1 133 131 LYS . 25479 1 134 132 ASP . 25479 1 135 133 HIS . 25479 1 136 134 LYS . 25479 1 137 135 SER . 25479 1 138 136 GLN . 25479 1 139 137 TYR . 25479 1 140 138 VAL . 25479 1 141 139 LYS . 25479 1 142 140 ARG . 25479 1 143 141 VAL . 25479 1 144 142 LYS . 25479 1 145 143 GLU . 25479 1 146 144 THR . 25479 1 147 145 VAL . 25479 1 148 146 GLU . 25479 1 149 147 LYS . 25479 1 150 148 SER . 25479 1 151 149 TRP . 25479 1 152 150 GLU . 25479 1 153 151 ASP . 25479 1 154 152 ASP . 25479 1 155 153 MET . 25479 1 156 154 ASP . 25479 1 157 155 ASP . 25479 1 158 156 MET . 25479 1 159 157 ASP . 25479 1 160 158 ASP . 25479 1 161 159 ASP . 25479 1 162 160 ASP . 25479 1 163 161 ASP . 25479 1 164 162 ASP . 25479 1 165 163 ASP . 25479 1 166 164 ASP . 25479 1 167 165 ASP . 25479 1 168 166 ASP . 25479 1 169 167 ASP . 25479 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 25479 1 . SER 2 2 25479 1 . MET 3 3 25479 1 . SER 4 4 25479 1 . THR 5 5 25479 1 . PRO 6 6 25479 1 . ALA 7 7 25479 1 . ARG 8 8 25479 1 . ARG 9 9 25479 1 . ARG 10 10 25479 1 . LEU 11 11 25479 1 . MET 12 12 25479 1 . ARG 13 13 25479 1 . ASP 14 14 25479 1 . PHE 15 15 25479 1 . LYS 16 16 25479 1 . ARG 17 17 25479 1 . MET 18 18 25479 1 . LYS 19 19 25479 1 . GLU 20 20 25479 1 . ASP 21 21 25479 1 . ALA 22 22 25479 1 . PRO 23 23 25479 1 . PRO 24 24 25479 1 . GLY 25 25 25479 1 . VAL 26 26 25479 1 . SER 27 27 25479 1 . ALA 28 28 25479 1 . SER 29 29 25479 1 . PRO 30 30 25479 1 . LEU 31 31 25479 1 . PRO 32 32 25479 1 . ASP 33 33 25479 1 . ASN 34 34 25479 1 . VAL 35 35 25479 1 . MET 36 36 25479 1 . VAL 37 37 25479 1 . TRP 38 38 25479 1 . ASN 39 39 25479 1 . ALA 40 40 25479 1 . MET 41 41 25479 1 . ILE 42 42 25479 1 . ILE 43 43 25479 1 . GLY 44 44 25479 1 . PRO 45 45 25479 1 . ALA 46 46 25479 1 . ASP 47 47 25479 1 . THR 48 48 25479 1 . PRO 49 49 25479 1 . TYR 50 50 25479 1 . GLU 51 51 25479 1 . ASP 52 52 25479 1 . GLY 53 53 25479 1 . THR 54 54 25479 1 . PHE 55 55 25479 1 . ARG 56 56 25479 1 . LEU 57 57 25479 1 . LEU 58 58 25479 1 . LEU 59 59 25479 1 . GLU 60 60 25479 1 . PHE 61 61 25479 1 . ASP 62 62 25479 1 . GLU 63 63 25479 1 . GLU 64 64 25479 1 . TYR 65 65 25479 1 . PRO 66 66 25479 1 . ASN 67 67 25479 1 . LYS 68 68 25479 1 . PRO 69 69 25479 1 . PRO 70 70 25479 1 . HIS 71 71 25479 1 . VAL 72 72 25479 1 . LYS 73 73 25479 1 . PHE 74 74 25479 1 . LEU 75 75 25479 1 . SER 76 76 25479 1 . GLU 77 77 25479 1 . MET 78 78 25479 1 . PHE 79 79 25479 1 . HIS 80 80 25479 1 . PRO 81 81 25479 1 . ASN 82 82 25479 1 . VAL 83 83 25479 1 . TYR 84 84 25479 1 . ALA 85 85 25479 1 . ASN 86 86 25479 1 . GLY 87 87 25479 1 . GLU 88 88 25479 1 . ILE 89 89 25479 1 . CYS 90 90 25479 1 . LEU 91 91 25479 1 . ASP 92 92 25479 1 . ILE 93 93 25479 1 . LEU 94 94 25479 1 . GLN 95 95 25479 1 . ASN 96 96 25479 1 . ARG 97 97 25479 1 . TRP 98 98 25479 1 . THR 99 99 25479 1 . PRO 100 100 25479 1 . THR 101 101 25479 1 . TYR 102 102 25479 1 . ASP 103 103 25479 1 . VAL 104 104 25479 1 . ALA 105 105 25479 1 . SER 106 106 25479 1 . ILE 107 107 25479 1 . LEU 108 108 25479 1 . THR 109 109 25479 1 . SER 110 110 25479 1 . ILE 111 111 25479 1 . GLN 112 112 25479 1 . SER 113 113 25479 1 . LEU 114 114 25479 1 . PHE 115 115 25479 1 . ASN 116 116 25479 1 . ASP 117 117 25479 1 . PRO 118 118 25479 1 . ASN 119 119 25479 1 . PRO 120 120 25479 1 . ALA 121 121 25479 1 . SER 122 122 25479 1 . PRO 123 123 25479 1 . ALA 124 124 25479 1 . ASN 125 125 25479 1 . VAL 126 126 25479 1 . GLU 127 127 25479 1 . ALA 128 128 25479 1 . ALA 129 129 25479 1 . THR 130 130 25479 1 . LEU 131 131 25479 1 . PHE 132 132 25479 1 . LYS 133 133 25479 1 . ASP 134 134 25479 1 . HIS 135 135 25479 1 . LYS 136 136 25479 1 . SER 137 137 25479 1 . GLN 138 138 25479 1 . TYR 139 139 25479 1 . VAL 140 140 25479 1 . LYS 141 141 25479 1 . ARG 142 142 25479 1 . VAL 143 143 25479 1 . LYS 144 144 25479 1 . GLU 145 145 25479 1 . THR 146 146 25479 1 . VAL 147 147 25479 1 . GLU 148 148 25479 1 . LYS 149 149 25479 1 . SER 150 150 25479 1 . TRP 151 151 25479 1 . GLU 152 152 25479 1 . ASP 153 153 25479 1 . ASP 154 154 25479 1 . MET 155 155 25479 1 . ASP 156 156 25479 1 . ASP 157 157 25479 1 . MET 158 158 25479 1 . ASP 159 159 25479 1 . ASP 160 160 25479 1 . ASP 161 161 25479 1 . ASP 162 162 25479 1 . ASP 163 163 25479 1 . ASP 164 164 25479 1 . ASP 165 165 25479 1 . ASP 166 166 25479 1 . ASP 167 167 25479 1 . ASP 168 168 25479 1 . ASP 169 169 25479 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25479 _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 $Rad6 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25479 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 25479 _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 $Rad6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMALc2 . . . 25479 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25479 _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 Rad6 '[U-100% 15N]' . . 1 $Rad6 . . 0.15 . . mM . . . . 25479 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25479 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25479 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 25479 _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 25479 1 temperature 293.15 . K 25479 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25479 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Thomas Goddard' . . 25479 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25479 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25479 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25479 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25479 2 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 25479 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25479 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25479 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 25479 1 2 spectrometer_2 Varian INOVA . 800 . . . 25479 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 25479 _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 . . . . . . . . . . . . . . . . . . . . . 25479 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25479 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25479 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25479 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25479 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 25479 _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 na protons . . . . ppm 4.8 internal direct 1 . . . . . 25479 1 N 15 na nitrogen . . . . ppm 4.8 internal direct 1 . . . . . 25479 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 25479 _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' . . . 25479 1 2 '3D HNCA' . . . 25479 1 3 '3D HNCACB' . . . 25479 1 4 '3D HNCO' . . . 25479 1 5 '3D HN(CO)CA' . . . 25479 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 22 22 ALA H H 1 8.223 . . . . . . . 20 ALA H . 25479 1 2 . 1 1 22 22 ALA N N 15 126.040 . . . . . . . 20 ALA N . 25479 1 3 . 1 1 25 25 GLY H H 1 8.607 . . . . . . . 23 GLY H . 25479 1 4 . 1 1 25 25 GLY N N 15 111.678 . . . . . . . 23 GLY N . 25479 1 5 . 1 1 26 26 VAL H H 1 7.504 . . . . . . . 24 VAL H . 25479 1 6 . 1 1 26 26 VAL N N 15 114.876 . . . . . . . 24 VAL N . 25479 1 7 . 1 1 27 27 SER H H 1 8.637 . . . . . . . 25 SER H . 25479 1 8 . 1 1 27 27 SER N N 15 116.341 . . . . . . . 25 SER N . 25479 1 9 . 1 1 34 34 ASN H H 1 7.649 . . . . . . . 32 ASN H . 25479 1 10 . 1 1 34 34 ASN N N 15 119.396 . . . . . . . 32 ASN N . 25479 1 11 . 1 1 35 35 VAL H H 1 8.269 . . . . . . . 33 VAL H . 25479 1 12 . 1 1 35 35 VAL N N 15 120.744 . . . . . . . 33 VAL N . 25479 1 13 . 1 1 36 36 MET H H 1 7.526 . . . . . . . 34 MET H . 25479 1 14 . 1 1 36 36 MET N N 15 113.042 . . . . . . . 34 MET N . 25479 1 15 . 1 1 37 37 VAL H H 1 7.711 . . . . . . . 35 VAL H . 25479 1 16 . 1 1 37 37 VAL N N 15 121.543 . . . . . . . 35 VAL N . 25479 1 17 . 1 1 38 38 TRP H H 1 9.708 . . . . . . . 36 TRP H . 25479 1 18 . 1 1 38 38 TRP N N 15 124.649 . . . . . . . 36 TRP N . 25479 1 19 . 1 1 39 39 ASN H H 1 8.185 . . . . . . . 37 ASN H . 25479 1 20 . 1 1 39 39 ASN N N 15 118.391 . . . . . . . 37 ASN N . 25479 1 21 . 1 1 41 41 MET H H 1 9.076 . . . . . . . 39 MET H . 25479 1 22 . 1 1 41 41 MET N N 15 123.332 . . . . . . . 39 MET N . 25479 1 23 . 1 1 42 42 ILE H H 1 8.999 . . . . . . . 40 ILE H . 25479 1 24 . 1 1 42 42 ILE N N 15 124.993 . . . . . . . 40 ILE N . 25479 1 25 . 1 1 43 43 ILE H H 1 8.621 . . . . . . . 41 ILE H . 25479 1 26 . 1 1 43 43 ILE N N 15 127.406 . . . . . . . 41 ILE N . 25479 1 27 . 1 1 44 44 GLY H H 1 9.426 . . . . . . . 42 GLY H . 25479 1 28 . 1 1 44 44 GLY N N 15 116.114 . . . . . . . 42 GLY N . 25479 1 29 . 1 1 46 46 ALA H H 1 8.522 . . . . . . . 44 ALA H . 25479 1 30 . 1 1 46 46 ALA N N 15 125.298 . . . . . . . 44 ALA N . 25479 1 31 . 1 1 47 47 ASP H H 1 8.938 . . . . . . . 45 ASP H . 25479 1 32 . 1 1 47 47 ASP N N 15 114.932 . . . . . . . 45 ASP N . 25479 1 33 . 1 1 48 48 THR H H 1 7.559 . . . . . . . 46 THR H . 25479 1 34 . 1 1 48 48 THR N N 15 107.314 . . . . . . . 46 THR N . 25479 1 35 . 1 1 50 50 TYR H H 1 9.037 . . . . . . . 48 TYR H . 25479 1 36 . 1 1 50 50 TYR N N 15 124.659 . . . . . . . 48 TYR N . 25479 1 37 . 1 1 51 51 GLU H H 1 7.139 . . . . . . . 49 GLU H . 25479 1 38 . 1 1 51 51 GLU N N 15 120.373 . . . . . . . 49 GLU N . 25479 1 39 . 1 1 52 52 ASP H H 1 8.275 . . . . . . . 50 ASP H . 25479 1 40 . 1 1 52 52 ASP N N 15 117.857 . . . . . . . 50 ASP N . 25479 1 41 . 1 1 53 53 GLY H H 1 8.803 . . . . . . . 51 GLY H . 25479 1 42 . 1 1 53 53 GLY N N 15 110.168 . . . . . . . 51 GLY N . 25479 1 43 . 1 1 54 54 THR H H 1 8.268 . . . . . . . 52 THR H . 25479 1 44 . 1 1 54 54 THR N N 15 116.642 . . . . . . . 52 THR N . 25479 1 45 . 1 1 55 55 PHE H H 1 7.996 . . . . . . . 53 PHE H . 25479 1 46 . 1 1 55 55 PHE N N 15 122.354 . . . . . . . 53 PHE N . 25479 1 47 . 1 1 56 56 ARG H H 1 9.426 . . . . . . . 54 ARG H . 25479 1 48 . 1 1 56 56 ARG N N 15 123.482 . . . . . . . 54 ARG N . 25479 1 49 . 1 1 57 57 LEU H H 1 9.136 . . . . . . . 55 LEU H . 25479 1 50 . 1 1 57 57 LEU N N 15 122.519 . . . . . . . 55 LEU N . 25479 1 51 . 1 1 58 58 LEU H H 1 9.097 . . . . . . . 56 LEU H . 25479 1 52 . 1 1 58 58 LEU N N 15 130.423 . . . . . . . 56 LEU N . 25479 1 53 . 1 1 59 59 LEU H H 1 8.041 . . . . . . . 57 LEU H . 25479 1 54 . 1 1 59 59 LEU N N 15 118.286 . . . . . . . 57 LEU N . 25479 1 55 . 1 1 60 60 GLU H H 1 7.223 . . . . . . . 58 GLU H . 25479 1 56 . 1 1 60 60 GLU N N 15 122.519 . . . . . . . 58 GLU N . 25479 1 57 . 1 1 67 67 ASN H H 1 8.073 . . . . . . . 65 ASN H . 25479 1 58 . 1 1 67 67 ASN N N 15 113.147 . . . . . . . 65 ASN N . 25479 1 59 . 1 1 68 68 LYS H H 1 7.200 . . . . . . . 66 LYS H . 25479 1 60 . 1 1 68 68 LYS N N 15 116.698 . . . . . . . 66 LYS N . 25479 1 61 . 1 1 78 78 MET H H 1 6.769 . . . . . . . 76 MET H . 25479 1 62 . 1 1 78 78 MET N N 15 122.751 . . . . . . . 76 MET N . 25479 1 63 . 1 1 82 82 ASN H H 1 11.176 . . . . . . . 80 ASN H . 25479 1 64 . 1 1 82 82 ASN N N 15 115.962 . . . . . . . 80 ASN N . 25479 1 65 . 1 1 83 83 VAL H H 1 7.426 . . . . . . . 81 VAL H . 25479 1 66 . 1 1 83 83 VAL N N 15 121.465 . . . . . . . 81 VAL N . 25479 1 67 . 1 1 84 84 TYR H H 1 8.831 . . . . . . . 82 TYR H . 25479 1 68 . 1 1 84 84 TYR N N 15 125.153 . . . . . . . 82 TYR N . 25479 1 69 . 1 1 85 85 ALA H H 1 8.972 . . . . . . . 83 ALA H . 25479 1 70 . 1 1 85 85 ALA N N 15 125.718 . . . . . . . 83 ALA N . 25479 1 71 . 1 1 86 86 ASN H H 1 7.642 . . . . . . . 84 ASN H . 25479 1 72 . 1 1 86 86 ASN N N 15 113.257 . . . . . . . 84 ASN N . 25479 1 73 . 1 1 87 87 GLY H H 1 8.305 . . . . . . . 85 GLY H . 25479 1 74 . 1 1 87 87 GLY N N 15 108.862 . . . . . . . 85 GLY N . 25479 1 75 . 1 1 88 88 GLU H H 1 7.821 . . . . . . . 86 GLU H . 25479 1 76 . 1 1 88 88 GLU N N 15 119.473 . . . . . . . 86 GLU N . 25479 1 77 . 1 1 89 89 ILE H H 1 9.238 . . . . . . . 87 ILE H . 25479 1 78 . 1 1 89 89 ILE N N 15 120.621 . . . . . . . 87 ILE N . 25479 1 79 . 1 1 90 90 CYS H H 1 8.574 . . . . . . . 88 CYS H . 25479 1 80 . 1 1 90 90 CYS N N 15 128.011 . . . . . . . 88 CYS N . 25479 1 81 . 1 1 101 101 THR H H 1 6.724 . . . . . . . 99 THR H . 25479 1 82 . 1 1 101 101 THR N N 15 108.774 . . . . . . . 99 THR N . 25479 1 83 . 1 1 102 102 TYR H H 1 6.900 . . . . . . . 100 TYR H . 25479 1 84 . 1 1 102 102 TYR N N 15 123.372 . . . . . . . 100 TYR N . 25479 1 85 . 1 1 104 104 VAL H H 1 7.420 . . . . . . . 102 VAL H . 25479 1 86 . 1 1 104 104 VAL N N 15 119.454 . . . . . . . 102 VAL N . 25479 1 87 . 1 1 105 105 ALA H H 1 7.929 . . . . . . . 103 ALA H . 25479 1 88 . 1 1 105 105 ALA N N 15 120.163 . . . . . . . 103 ALA N . 25479 1 89 . 1 1 106 106 SER H H 1 8.403 . . . . . . . 104 SER H . 25479 1 90 . 1 1 106 106 SER N N 15 114.599 . . . . . . . 104 SER N . 25479 1 91 . 1 1 107 107 ILE H H 1 8.600 . . . . . . . 105 ILE H . 25479 1 92 . 1 1 107 107 ILE N N 15 125.944 . . . . . . . 105 ILE N . 25479 1 93 . 1 1 108 108 LEU H H 1 8.219 . . . . . . . 106 LEU H . 25479 1 94 . 1 1 108 108 LEU N N 15 117.850 . . . . . . . 106 LEU N . 25479 1 95 . 1 1 109 109 THR H H 1 8.715 . . . . . . . 107 THR H . 25479 1 96 . 1 1 109 109 THR N N 15 113.533 . . . . . . . 107 THR N . 25479 1 97 . 1 1 110 110 SER H H 1 7.848 . . . . . . . 108 SER H . 25479 1 98 . 1 1 110 110 SER N N 15 121.244 . . . . . . . 108 SER N . 25479 1 99 . 1 1 111 111 ILE H H 1 7.846 . . . . . . . 109 ILE H . 25479 1 100 . 1 1 111 111 ILE N N 15 123.126 . . . . . . . 109 ILE N . 25479 1 101 . 1 1 112 112 GLN H H 1 8.382 . . . . . . . 110 GLN H . 25479 1 102 . 1 1 112 112 GLN N N 15 120.432 . . . . . . . 110 GLN N . 25479 1 103 . 1 1 113 113 SER H H 1 7.928 . . . . . . . 111 SER H . 25479 1 104 . 1 1 113 113 SER N N 15 114.195 . . . . . . . 111 SER N . 25479 1 105 . 1 1 114 114 LEU H H 1 7.524 . . . . . . . 112 LEU H . 25479 1 106 . 1 1 114 114 LEU N N 15 121.210 . . . . . . . 112 LEU N . 25479 1 107 . 1 1 121 121 ALA H H 1 7.723 . . . . . . . 119 ALA H . 25479 1 108 . 1 1 121 121 ALA N N 15 121.149 . . . . . . . 119 ALA N . 25479 1 109 . 1 1 122 122 SER H H 1 7.101 . . . . . . . 120 SER H . 25479 1 110 . 1 1 122 122 SER N N 15 113.134 . . . . . . . 120 SER N . 25479 1 111 . 1 1 124 124 ALA H H 1 8.209 . . . . . . . 122 ALA H . 25479 1 112 . 1 1 124 124 ALA N N 15 128.841 . . . . . . . 122 ALA N . 25479 1 113 . 1 1 125 125 ASN H H 1 7.227 . . . . . . . 123 ASN H . 25479 1 114 . 1 1 125 125 ASN N N 15 115.920 . . . . . . . 123 ASN N . 25479 1 115 . 1 1 127 127 GLU H H 1 8.235 . . . . . . . 125 GLU H . 25479 1 116 . 1 1 127 127 GLU N N 15 124.985 . . . . . . . 125 GLU N . 25479 1 117 . 1 1 128 128 ALA H H 1 7.121 . . . . . . . 126 ALA H . 25479 1 118 . 1 1 128 128 ALA N N 15 120.065 . . . . . . . 126 ALA N . 25479 1 119 . 1 1 129 129 ALA H H 1 8.160 . . . . . . . 127 ALA H . 25479 1 120 . 1 1 129 129 ALA N N 15 119.983 . . . . . . . 127 ALA N . 25479 1 121 . 1 1 130 130 THR H H 1 8.412 . . . . . . . 128 THR H . 25479 1 122 . 1 1 130 130 THR N N 15 116.124 . . . . . . . 128 THR N . 25479 1 123 . 1 1 131 131 LEU H H 1 8.374 . . . . . . . 129 LEU H . 25479 1 124 . 1 1 131 131 LEU N N 15 121.832 . . . . . . . 129 LEU N . 25479 1 125 . 1 1 132 132 PHE H H 1 9.029 . . . . . . . 130 PHE H . 25479 1 126 . 1 1 132 132 PHE N N 15 128.219 . . . . . . . 130 PHE N . 25479 1 127 . 1 1 133 133 LYS H H 1 8.780 . . . . . . . 131 LYS H . 25479 1 128 . 1 1 133 133 LYS N N 15 124.102 . . . . . . . 131 LYS N . 25479 1 129 . 1 1 134 134 ASP H H 1 8.923 . . . . . . . 132 ASP H . 25479 1 130 . 1 1 134 134 ASP N N 15 126.028 . . . . . . . 132 ASP N . 25479 1 131 . 1 1 135 135 HIS H H 1 8.567 . . . . . . . 133 HIS H . 25479 1 132 . 1 1 135 135 HIS N N 15 120.520 . . . . . . . 133 HIS N . 25479 1 133 . 1 1 140 140 VAL H H 1 9.303 . . . . . . . 138 VAL H . 25479 1 134 . 1 1 140 140 VAL N N 15 125.585 . . . . . . . 138 VAL N . 25479 1 135 . 1 1 141 141 LYS H H 1 7.583 . . . . . . . 139 LYS H . 25479 1 136 . 1 1 141 141 LYS N N 15 118.983 . . . . . . . 139 LYS N . 25479 1 137 . 1 1 142 142 ARG H H 1 7.989 . . . . . . . 140 ARG H . 25479 1 138 . 1 1 142 142 ARG N N 15 113.610 . . . . . . . 140 ARG N . 25479 1 139 . 1 1 143 143 VAL H H 1 8.464 . . . . . . . 141 VAL H . 25479 1 140 . 1 1 143 143 VAL N N 15 117.789 . . . . . . . 141 VAL N . 25479 1 141 . 1 1 144 144 LYS H H 1 7.949 . . . . . . . 142 LYS H . 25479 1 142 . 1 1 144 144 LYS N N 15 126.467 . . . . . . . 142 LYS N . 25479 1 143 . 1 1 148 148 GLU H H 1 8.673 . . . . . . . 146 GLU H . 25479 1 144 . 1 1 148 148 GLU N N 15 123.408 . . . . . . . 146 GLU N . 25479 1 145 . 1 1 149 149 LYS H H 1 7.312 . . . . . . . 147 LYS H . 25479 1 146 . 1 1 149 149 LYS N N 15 118.461 . . . . . . . 147 LYS N . 25479 1 147 . 1 1 150 150 SER H H 1 7.344 . . . . . . . 148 SER H . 25479 1 148 . 1 1 150 150 SER N N 15 111.304 . . . . . . . 148 SER N . 25479 1 149 . 1 1 151 151 TRP H H 1 7.870 . . . . . . . 149 TRP H . 25479 1 150 . 1 1 151 151 TRP N N 15 128.144 . . . . . . . 149 TRP N . 25479 1 151 . 1 1 152 152 GLU H H 1 7.492 . . . . . . . 150 GLU H . 25479 1 152 . 1 1 152 152 GLU N N 15 119.270 . . . . . . . 150 GLU N . 25479 1 stop_ save_