data_11048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11048 _Entry.Title ; RecT-bound ssDNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-15 _Entry.Accession_date 2008-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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.Entry_ID 1 Takehiko Shibata . . . 11048 2 Yutaka Ito . . . 11048 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ssDNA . 11048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 37 11048 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 3 . . 2012-09-20 2008-05-15 update BMRB 'update sequence to DNA' 11048 2 . . 2010-01-25 2008-05-15 update BMRB 'complete entry citation' 11048 1 . . 2009-10-15 2008-05-15 original author 'original release' 11048 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11045 'Structure of d(TACG) bound to structurally distinct recombinase Mhr1p' 11048 BMRB 11046 'Structure of d(TACG) bound to structurally distinct recombinase hsRad51' 11048 BMRB 11047 'Structure of d(TACG) bound to structurally distinct recombinase ttRecO' 11048 PDB 2RPH 'BMRB Entry Tracking System' 11048 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11048 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19729448 _Citation.Full_citation . _Citation.Title 'A non-canonical DNA structure enables homologous recombination in various genetic systems.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 284 _Citation.Journal_issue 44 _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 30230 _Citation.Page_last 30239 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Tokiha Masuda . . . 11048 1 2 Yutaka Ito . . . 11048 1 3 Tohru Terada . . . 11048 1 4 Takehiko Shibata . . . 11048 1 5 Tsutomu Mikawa . . . 11048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11048 _Assembly.ID 1 _Assembly.Name "5'-D(*DTP*DAP*DCP*DG)-3' 10 structures" _Assembly.BMRB_code . _Assembly.Number_of_components 11 _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 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 1' 1 $entity_1 A . yes native no no . . . 11048 1 2 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 2' 1 $entity_1 B . yes native no no . . . 11048 1 3 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 3' 1 $entity_1 C . yes native no no . . . 11048 1 4 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 4' 1 $entity_1 D . yes native no no . . . 11048 1 5 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 5' 1 $entity_1 E . yes native no no . . . 11048 1 6 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 6' 1 $entity_1 F . yes native no no . . . 11048 1 7 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 7' 1 $entity_1 G . yes native no no . . . 11048 1 8 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 8' 1 $entity_1 H . yes native no no . . . 11048 1 9 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 9' 1 $entity_1 I . yes native no no . . . 11048 1 10 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 10' 1 $entity_1 J . yes native no no . . . 11048 1 11 ecRecT 2 $entity_2 K . no native no no . . ; ecRecT protein associate/dissociate with nucleic acids quickly enough to measure TRNOE. ; 11048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11048 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA (5'-D(*DTP*DAP*DCP*DG)-3')' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A-J _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TACG _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 4 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1231.30 _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 . DT . 11048 1 2 . DA . 11048 1 3 . DC . 11048 1 4 . DG . 11048 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 . DT 1 1 11048 1 . DA 2 2 11048 1 . DC 3 3 11048 1 . DG 4 4 11048 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11048 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ecRecT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID K _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTKQPPIAKADLQKTQGNRA PAAVKNSDVISFINQPSMKE QLAAALPRHMTAERMIRIAT TEIRKVPALGNCDTMSFVSA IVQCSQLGLEPGSALGHAYL LPFGNKNEKSGKKNVQLIIG YRGMIDLARRSGQIASLSAR VVREGDEFSFEFGLDEKLIH RPGENEDAPVTHVYAVARLK DGGTQFEVMTRKQIELVRSL SKAGNNGPWVTHWEEMAKKT AIRRLFKYLPVSIEIQRAVS MDEKEPLTIDPADSSVLTGE YSVIDNSEE ; _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 269 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 2015-11-26 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 1 no DBJ BAA14949 . "recombination and repair protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 2 no DBJ BAB35356 . "recombinase recT protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 269 98.51 99.63 0.00e+00 . . . . 11048 2 3 no DBJ BAG76926 . "putative phage recombinase [Escherichia coli SE11]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 4 no DBJ BAI25198 . "recombination and repair protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 269 98.51 99.63 0.00e+00 . . . . 11048 2 5 no DBJ BAI25911 . "putative recombinase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 269 99.26 99.63 0.00e+00 . . . . 11048 2 6 no EMBL CAQ31853 . "recombinase, DNA renaturation [Escherichia coli BL21(DE3)]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 7 no EMBL CCP96881 . "Recombinational DNA repair protein RecT (prophage associated) [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 8 no EMBL CCP99639 . "Recombinational DNA repair protein RecT (prophage associated) [Escherichia coli O5:K4(L):H4 str. ATCC 23502]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 9 no EMBL CDJ71764 . "recombination and repair protein RecT [Escherichia coli str. K-12 substr. MC4100]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 10 no EMBL CDK47162 . "Recombinational DNA repair protein RecT (prophage associated) [Escherichia coli IS1]" . . . . . 100.00 269 97.77 99.26 0.00e+00 . . . . 11048 2 11 no GB AAA16179 . "unknown [Escherichia coli]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 12 no GB AAC74431 . "Rac prophage; recombination and repair protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 13 no GB AAG56448 . "recombinase, DNA renaturation protein encoded by prophage CP-933R [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 269 98.51 99.63 0.00e+00 . . . . 11048 2 14 no GB ABJ00798 . "recombinational DNA repair protein [Escherichia coli APEC O1]" . . . . . 100.00 288 100.00 100.00 0.00e+00 . . . . 11048 2 15 no GB ACB02570 . "Rac prophage; recombination and repair protein [Escherichia coli str. K-12 substr. DH10B]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 16 no REF NP_309960 . "recombination and repair protein RecT [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 269 98.51 99.63 0.00e+00 . . . . 11048 2 17 no REF NP_415865 . "Rac prophage; recombination and repair protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 2 18 no REF WP_000166310 . "DNA recombination protein RecT [Escherichia coli]" . . . . . 100.00 269 97.77 99.63 0.00e+00 . . . . 11048 2 19 no REF WP_000166311 . "DNA recombination protein RecT [Escherichia coli]" . . . . . 100.00 269 98.14 99.63 0.00e+00 . . . . 11048 2 20 no REF WP_000166312 . "DNA recombination protein RecT [Escherichia coli]" . . . . . 100.00 269 98.14 99.63 0.00e+00 . . . . 11048 2 21 no SP P33228 . "RecName: Full=Protein RecT; AltName: Full=P33" . . . . . 100.00 269 100.00 100.00 0.00e+00 . . . . 11048 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 . MET . 11048 2 2 . THR . 11048 2 3 . LYS . 11048 2 4 . GLN . 11048 2 5 . PRO . 11048 2 6 . PRO . 11048 2 7 . ILE . 11048 2 8 . ALA . 11048 2 9 . LYS . 11048 2 10 . ALA . 11048 2 11 . ASP . 11048 2 12 . LEU . 11048 2 13 . GLN . 11048 2 14 . LYS . 11048 2 15 . THR . 11048 2 16 . GLN . 11048 2 17 . GLY . 11048 2 18 . ASN . 11048 2 19 . ARG . 11048 2 20 . ALA . 11048 2 21 . PRO . 11048 2 22 . ALA . 11048 2 23 . ALA . 11048 2 24 . VAL . 11048 2 25 . LYS . 11048 2 26 . ASN . 11048 2 27 . SER . 11048 2 28 . ASP . 11048 2 29 . VAL . 11048 2 30 . ILE . 11048 2 31 . SER . 11048 2 32 . PHE . 11048 2 33 . ILE . 11048 2 34 . ASN . 11048 2 35 . GLN . 11048 2 36 . PRO . 11048 2 37 . SER . 11048 2 38 . MET . 11048 2 39 . LYS . 11048 2 40 . GLU . 11048 2 41 . GLN . 11048 2 42 . LEU . 11048 2 43 . ALA . 11048 2 44 . ALA . 11048 2 45 . ALA . 11048 2 46 . LEU . 11048 2 47 . PRO . 11048 2 48 . ARG . 11048 2 49 . HIS . 11048 2 50 . MET . 11048 2 51 . THR . 11048 2 52 . ALA . 11048 2 53 . GLU . 11048 2 54 . ARG . 11048 2 55 . MET . 11048 2 56 . ILE . 11048 2 57 . ARG . 11048 2 58 . ILE . 11048 2 59 . ALA . 11048 2 60 . THR . 11048 2 61 . THR . 11048 2 62 . GLU . 11048 2 63 . ILE . 11048 2 64 . ARG . 11048 2 65 . LYS . 11048 2 66 . VAL . 11048 2 67 . PRO . 11048 2 68 . ALA . 11048 2 69 . LEU . 11048 2 70 . GLY . 11048 2 71 . ASN . 11048 2 72 . CYS . 11048 2 73 . ASP . 11048 2 74 . THR . 11048 2 75 . MET . 11048 2 76 . SER . 11048 2 77 . PHE . 11048 2 78 . VAL . 11048 2 79 . SER . 11048 2 80 . ALA . 11048 2 81 . ILE . 11048 2 82 . VAL . 11048 2 83 . GLN . 11048 2 84 . CYS . 11048 2 85 . SER . 11048 2 86 . GLN . 11048 2 87 . LEU . 11048 2 88 . GLY . 11048 2 89 . LEU . 11048 2 90 . GLU . 11048 2 91 . PRO . 11048 2 92 . GLY . 11048 2 93 . SER . 11048 2 94 . ALA . 11048 2 95 . LEU . 11048 2 96 . GLY . 11048 2 97 . HIS . 11048 2 98 . ALA . 11048 2 99 . TYR . 11048 2 100 . LEU . 11048 2 101 . LEU . 11048 2 102 . PRO . 11048 2 103 . PHE . 11048 2 104 . GLY . 11048 2 105 . ASN . 11048 2 106 . LYS . 11048 2 107 . ASN . 11048 2 108 . GLU . 11048 2 109 . LYS . 11048 2 110 . SER . 11048 2 111 . GLY . 11048 2 112 . LYS . 11048 2 113 . LYS . 11048 2 114 . ASN . 11048 2 115 . VAL . 11048 2 116 . GLN . 11048 2 117 . LEU . 11048 2 118 . ILE . 11048 2 119 . ILE . 11048 2 120 . GLY . 11048 2 121 . TYR . 11048 2 122 . ARG . 11048 2 123 . GLY . 11048 2 124 . MET . 11048 2 125 . ILE . 11048 2 126 . ASP . 11048 2 127 . LEU . 11048 2 128 . ALA . 11048 2 129 . ARG . 11048 2 130 . ARG . 11048 2 131 . SER . 11048 2 132 . GLY . 11048 2 133 . GLN . 11048 2 134 . ILE . 11048 2 135 . ALA . 11048 2 136 . SER . 11048 2 137 . LEU . 11048 2 138 . SER . 11048 2 139 . ALA . 11048 2 140 . ARG . 11048 2 141 . VAL . 11048 2 142 . VAL . 11048 2 143 . ARG . 11048 2 144 . GLU . 11048 2 145 . GLY . 11048 2 146 . ASP . 11048 2 147 . GLU . 11048 2 148 . PHE . 11048 2 149 . SER . 11048 2 150 . PHE . 11048 2 151 . GLU . 11048 2 152 . PHE . 11048 2 153 . GLY . 11048 2 154 . LEU . 11048 2 155 . ASP . 11048 2 156 . GLU . 11048 2 157 . LYS . 11048 2 158 . LEU . 11048 2 159 . ILE . 11048 2 160 . HIS . 11048 2 161 . ARG . 11048 2 162 . PRO . 11048 2 163 . GLY . 11048 2 164 . GLU . 11048 2 165 . ASN . 11048 2 166 . GLU . 11048 2 167 . ASP . 11048 2 168 . ALA . 11048 2 169 . PRO . 11048 2 170 . VAL . 11048 2 171 . THR . 11048 2 172 . HIS . 11048 2 173 . VAL . 11048 2 174 . TYR . 11048 2 175 . ALA . 11048 2 176 . VAL . 11048 2 177 . ALA . 11048 2 178 . ARG . 11048 2 179 . LEU . 11048 2 180 . LYS . 11048 2 181 . ASP . 11048 2 182 . GLY . 11048 2 183 . GLY . 11048 2 184 . THR . 11048 2 185 . GLN . 11048 2 186 . PHE . 11048 2 187 . GLU . 11048 2 188 . VAL . 11048 2 189 . MET . 11048 2 190 . THR . 11048 2 191 . ARG . 11048 2 192 . LYS . 11048 2 193 . GLN . 11048 2 194 . ILE . 11048 2 195 . GLU . 11048 2 196 . LEU . 11048 2 197 . VAL . 11048 2 198 . ARG . 11048 2 199 . SER . 11048 2 200 . LEU . 11048 2 201 . SER . 11048 2 202 . LYS . 11048 2 203 . ALA . 11048 2 204 . GLY . 11048 2 205 . ASN . 11048 2 206 . ASN . 11048 2 207 . GLY . 11048 2 208 . PRO . 11048 2 209 . TRP . 11048 2 210 . VAL . 11048 2 211 . THR . 11048 2 212 . HIS . 11048 2 213 . TRP . 11048 2 214 . GLU . 11048 2 215 . GLU . 11048 2 216 . MET . 11048 2 217 . ALA . 11048 2 218 . LYS . 11048 2 219 . LYS . 11048 2 220 . THR . 11048 2 221 . ALA . 11048 2 222 . ILE . 11048 2 223 . ARG . 11048 2 224 . ARG . 11048 2 225 . LEU . 11048 2 226 . PHE . 11048 2 227 . LYS . 11048 2 228 . TYR . 11048 2 229 . LEU . 11048 2 230 . PRO . 11048 2 231 . VAL . 11048 2 232 . SER . 11048 2 233 . ILE . 11048 2 234 . GLU . 11048 2 235 . ILE . 11048 2 236 . GLN . 11048 2 237 . ARG . 11048 2 238 . ALA . 11048 2 239 . VAL . 11048 2 240 . SER . 11048 2 241 . MET . 11048 2 242 . ASP . 11048 2 243 . GLU . 11048 2 244 . LYS . 11048 2 245 . GLU . 11048 2 246 . PRO . 11048 2 247 . LEU . 11048 2 248 . THR . 11048 2 249 . ILE . 11048 2 250 . ASP . 11048 2 251 . PRO . 11048 2 252 . ALA . 11048 2 253 . ASP . 11048 2 254 . SER . 11048 2 255 . SER . 11048 2 256 . VAL . 11048 2 257 . LEU . 11048 2 258 . THR . 11048 2 259 . GLY . 11048 2 260 . GLU . 11048 2 261 . TYR . 11048 2 262 . SER . 11048 2 263 . VAL . 11048 2 264 . ILE . 11048 2 265 . ASP . 11048 2 266 . ASN . 11048 2 267 . SER . 11048 2 268 . GLU . 11048 2 269 . GLU . 11048 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 11048 2 . THR 2 2 11048 2 . LYS 3 3 11048 2 . GLN 4 4 11048 2 . PRO 5 5 11048 2 . PRO 6 6 11048 2 . ILE 7 7 11048 2 . ALA 8 8 11048 2 . LYS 9 9 11048 2 . ALA 10 10 11048 2 . ASP 11 11 11048 2 . LEU 12 12 11048 2 . GLN 13 13 11048 2 . LYS 14 14 11048 2 . THR 15 15 11048 2 . GLN 16 16 11048 2 . GLY 17 17 11048 2 . ASN 18 18 11048 2 . ARG 19 19 11048 2 . ALA 20 20 11048 2 . PRO 21 21 11048 2 . ALA 22 22 11048 2 . ALA 23 23 11048 2 . VAL 24 24 11048 2 . LYS 25 25 11048 2 . ASN 26 26 11048 2 . SER 27 27 11048 2 . ASP 28 28 11048 2 . VAL 29 29 11048 2 . ILE 30 30 11048 2 . SER 31 31 11048 2 . PHE 32 32 11048 2 . ILE 33 33 11048 2 . ASN 34 34 11048 2 . GLN 35 35 11048 2 . PRO 36 36 11048 2 . SER 37 37 11048 2 . MET 38 38 11048 2 . LYS 39 39 11048 2 . GLU 40 40 11048 2 . GLN 41 41 11048 2 . LEU 42 42 11048 2 . ALA 43 43 11048 2 . ALA 44 44 11048 2 . ALA 45 45 11048 2 . LEU 46 46 11048 2 . PRO 47 47 11048 2 . ARG 48 48 11048 2 . HIS 49 49 11048 2 . MET 50 50 11048 2 . THR 51 51 11048 2 . ALA 52 52 11048 2 . GLU 53 53 11048 2 . ARG 54 54 11048 2 . MET 55 55 11048 2 . ILE 56 56 11048 2 . ARG 57 57 11048 2 . ILE 58 58 11048 2 . ALA 59 59 11048 2 . THR 60 60 11048 2 . THR 61 61 11048 2 . GLU 62 62 11048 2 . ILE 63 63 11048 2 . ARG 64 64 11048 2 . LYS 65 65 11048 2 . VAL 66 66 11048 2 . PRO 67 67 11048 2 . ALA 68 68 11048 2 . LEU 69 69 11048 2 . GLY 70 70 11048 2 . ASN 71 71 11048 2 . CYS 72 72 11048 2 . ASP 73 73 11048 2 . THR 74 74 11048 2 . MET 75 75 11048 2 . SER 76 76 11048 2 . PHE 77 77 11048 2 . VAL 78 78 11048 2 . SER 79 79 11048 2 . ALA 80 80 11048 2 . ILE 81 81 11048 2 . VAL 82 82 11048 2 . GLN 83 83 11048 2 . CYS 84 84 11048 2 . SER 85 85 11048 2 . GLN 86 86 11048 2 . LEU 87 87 11048 2 . GLY 88 88 11048 2 . LEU 89 89 11048 2 . GLU 90 90 11048 2 . PRO 91 91 11048 2 . GLY 92 92 11048 2 . SER 93 93 11048 2 . ALA 94 94 11048 2 . LEU 95 95 11048 2 . GLY 96 96 11048 2 . HIS 97 97 11048 2 . ALA 98 98 11048 2 . TYR 99 99 11048 2 . LEU 100 100 11048 2 . LEU 101 101 11048 2 . PRO 102 102 11048 2 . PHE 103 103 11048 2 . GLY 104 104 11048 2 . ASN 105 105 11048 2 . LYS 106 106 11048 2 . ASN 107 107 11048 2 . GLU 108 108 11048 2 . LYS 109 109 11048 2 . SER 110 110 11048 2 . GLY 111 111 11048 2 . LYS 112 112 11048 2 . LYS 113 113 11048 2 . ASN 114 114 11048 2 . VAL 115 115 11048 2 . GLN 116 116 11048 2 . LEU 117 117 11048 2 . ILE 118 118 11048 2 . ILE 119 119 11048 2 . GLY 120 120 11048 2 . TYR 121 121 11048 2 . ARG 122 122 11048 2 . GLY 123 123 11048 2 . MET 124 124 11048 2 . ILE 125 125 11048 2 . ASP 126 126 11048 2 . LEU 127 127 11048 2 . ALA 128 128 11048 2 . ARG 129 129 11048 2 . ARG 130 130 11048 2 . SER 131 131 11048 2 . GLY 132 132 11048 2 . GLN 133 133 11048 2 . ILE 134 134 11048 2 . ALA 135 135 11048 2 . SER 136 136 11048 2 . LEU 137 137 11048 2 . SER 138 138 11048 2 . ALA 139 139 11048 2 . ARG 140 140 11048 2 . VAL 141 141 11048 2 . VAL 142 142 11048 2 . ARG 143 143 11048 2 . GLU 144 144 11048 2 . GLY 145 145 11048 2 . ASP 146 146 11048 2 . GLU 147 147 11048 2 . PHE 148 148 11048 2 . SER 149 149 11048 2 . PHE 150 150 11048 2 . GLU 151 151 11048 2 . PHE 152 152 11048 2 . GLY 153 153 11048 2 . LEU 154 154 11048 2 . ASP 155 155 11048 2 . GLU 156 156 11048 2 . LYS 157 157 11048 2 . LEU 158 158 11048 2 . ILE 159 159 11048 2 . HIS 160 160 11048 2 . ARG 161 161 11048 2 . PRO 162 162 11048 2 . GLY 163 163 11048 2 . GLU 164 164 11048 2 . ASN 165 165 11048 2 . GLU 166 166 11048 2 . ASP 167 167 11048 2 . ALA 168 168 11048 2 . PRO 169 169 11048 2 . VAL 170 170 11048 2 . THR 171 171 11048 2 . HIS 172 172 11048 2 . VAL 173 173 11048 2 . TYR 174 174 11048 2 . ALA 175 175 11048 2 . VAL 176 176 11048 2 . ALA 177 177 11048 2 . ARG 178 178 11048 2 . LEU 179 179 11048 2 . LYS 180 180 11048 2 . ASP 181 181 11048 2 . GLY 182 182 11048 2 . GLY 183 183 11048 2 . THR 184 184 11048 2 . GLN 185 185 11048 2 . PHE 186 186 11048 2 . GLU 187 187 11048 2 . VAL 188 188 11048 2 . MET 189 189 11048 2 . THR 190 190 11048 2 . ARG 191 191 11048 2 . LYS 192 192 11048 2 . GLN 193 193 11048 2 . ILE 194 194 11048 2 . GLU 195 195 11048 2 . LEU 196 196 11048 2 . VAL 197 197 11048 2 . ARG 198 198 11048 2 . SER 199 199 11048 2 . LEU 200 200 11048 2 . SER 201 201 11048 2 . LYS 202 202 11048 2 . ALA 203 203 11048 2 . GLY 204 204 11048 2 . ASN 205 205 11048 2 . ASN 206 206 11048 2 . GLY 207 207 11048 2 . PRO 208 208 11048 2 . TRP 209 209 11048 2 . VAL 210 210 11048 2 . THR 211 211 11048 2 . HIS 212 212 11048 2 . TRP 213 213 11048 2 . GLU 214 214 11048 2 . GLU 215 215 11048 2 . MET 216 216 11048 2 . ALA 217 217 11048 2 . LYS 218 218 11048 2 . LYS 219 219 11048 2 . THR 220 220 11048 2 . ALA 221 221 11048 2 . ILE 222 222 11048 2 . ARG 223 223 11048 2 . ARG 224 224 11048 2 . LEU 225 225 11048 2 . PHE 226 226 11048 2 . LYS 227 227 11048 2 . TYR 228 228 11048 2 . LEU 229 229 11048 2 . PRO 230 230 11048 2 . VAL 231 231 11048 2 . SER 232 232 11048 2 . ILE 233 233 11048 2 . GLU 234 234 11048 2 . ILE 235 235 11048 2 . GLN 236 236 11048 2 . ARG 237 237 11048 2 . ALA 238 238 11048 2 . VAL 239 239 11048 2 . SER 240 240 11048 2 . MET 241 241 11048 2 . ASP 242 242 11048 2 . GLU 243 243 11048 2 . LYS 244 244 11048 2 . GLU 245 245 11048 2 . PRO 246 246 11048 2 . LEU 247 247 11048 2 . THR 248 248 11048 2 . ILE 249 249 11048 2 . ASP 250 250 11048 2 . PRO 251 251 11048 2 . ALA 252 252 11048 2 . ASP 253 253 11048 2 . SER 254 254 11048 2 . SER 255 255 11048 2 . VAL 256 256 11048 2 . LEU 257 257 11048 2 . THR 258 258 11048 2 . GLY 259 259 11048 2 . GLU 260 260 11048 2 . TYR 261 261 11048 2 . SER 262 262 11048 2 . VAL 263 263 11048 2 . ILE 264 264 11048 2 . ASP 265 265 11048 2 . ASN 266 266 11048 2 . SER 267 267 11048 2 . GLU 268 268 11048 2 . GLU 269 269 11048 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 11048 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11048 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' . . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 11048 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 11048 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11048 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET14b . . . . . . 11048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11048 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'DNA (5'-D(*DTP*DAP*DCP*DG)-3')' 'natural abundance' . . 1 $entity_1 . DNA 1 . . mM . . . . 11048 1 2 ecRecT 'natural abundance' . . 2 $entity_2 . protein 0.1 . . mM . . . . 11048 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11048 1 4 D2O . . . . . . solvent 100 . . % . . . . 11048 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 11048 _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' 100 . mM 11048 1 pH 7.1 . pH 11048 1 pressure 1 . atm 11048 1 temperature 298 . K 11048 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11048 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11048 1 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 11048 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 11048 _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 Avance . 600 . . . 11048 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 11048 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11048 1 2 'transferred NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11048 1 3 DQF-COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11048 1 4 TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11048 1 5 ROESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11048 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 11048 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11048 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 11048 _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-1H NOESY' 1 $sample_1 isotropic 11048 1 2 'transferred NOESY' 1 $sample_1 isotropic 11048 1 3 DQF-COSY 1 $sample_1 isotropic 11048 1 4 TOCSY 1 $sample_1 isotropic 11048 1 5 ROESY 1 $sample_1 isotropic 11048 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 1 1 DT H1' H 1 5.91 0.01 . 1 . . . . 1 T H1' . 11048 1 2 . 1 1 1 1 DT H2' H 1 1.6 0.01 . 2 . . . . 1 T H2' . 11048 1 3 . 1 1 1 1 DT H2'' H 1 2.15 0.01 . 2 . . . . 1 T H2'' . 11048 1 4 . 1 1 1 1 DT H3' H 1 4.57 0.01 . 1 . . . . 1 T H3' . 11048 1 5 . 1 1 1 1 DT H4' H 1 3.97 0.01 . 1 . . . . 1 T H4' . 11048 1 6 . 1 1 1 1 DT H5' H 1 3.6 0.01 . 2 . . . . 1 T H5' . 11048 1 7 . 1 1 1 1 DT H5'' H 1 3.6 0.01 . 2 . . . . 1 T H5'' . 11048 1 8 . 1 1 1 1 DT H6 H 1 7.28 0.01 . 1 . . . . 1 T H6 . 11048 1 9 . 1 1 1 1 DT H71 H 1 1.78 0.01 . 1 . . . . 1 T H7 . 11048 1 10 . 1 1 1 1 DT H72 H 1 1.78 0.01 . 1 . . . . 1 T H7 . 11048 1 11 . 1 1 1 1 DT H73 H 1 1.78 0.01 . 1 . . . . 1 T H7 . 11048 1 12 . 1 1 2 2 DA H1' H 1 6.23 0.01 . 1 . . . . 2 A H1' . 11048 1 13 . 1 1 2 2 DA H2 H 1 8.03 0.01 . 1 . . . . 2 A H2 . 11048 1 14 . 1 1 2 2 DA H2' H 1 2.77 0.01 . 1 . . . . 2 A H2' . 11048 1 15 . 1 1 2 2 DA H2'' H 1 2.68 0.01 . 1 . . . . 2 A H2'' . 11048 1 16 . 1 1 2 2 DA H3' H 1 4.95 0.01 . 1 . . . . 2 A H3' . 11048 1 17 . 1 1 2 2 DA H4' H 1 4.34 0.01 . 1 . . . . 2 A H4' . 11048 1 18 . 1 1 2 2 DA H5' H 1 4.02 0.01 . 2 . . . . 2 A H5' . 11048 1 19 . 1 1 2 2 DA H5'' H 1 4.02 0.01 . 2 . . . . 2 A H5'' . 11048 1 20 . 1 1 2 2 DA H8 H 1 8.31 0.01 . 1 . . . . 2 A H8 . 11048 1 21 . 1 1 3 3 DC H1' H 1 5.99 0.01 . 1 . . . . 3 C H1' . 11048 1 22 . 1 1 3 3 DC H2' H 1 1.88 0.01 . 1 . . . . 3 C H2' . 11048 1 23 . 1 1 3 3 DC H2'' H 1 2.32 0.01 . 1 . . . . 3 C H2'' . 11048 1 24 . 1 1 3 3 DC H3' H 1 4.73 0.01 . 1 . . . . 3 C H3' . 11048 1 25 . 1 1 3 3 DC H4' H 1 4.15 0.01 . 1 . . . . 3 C H4' . 11048 1 26 . 1 1 3 3 DC H5 H 1 5.76 0.01 . 1 . . . . 3 C H5 . 11048 1 27 . 1 1 3 3 DC H5' H 1 4.02 0.01 . 2 . . . . 3 C H5' . 11048 1 28 . 1 1 3 3 DC H5'' H 1 4.02 0.01 . 2 . . . . 3 C H5'' . 11048 1 29 . 1 1 3 3 DC H6 H 1 7.5 0.01 . 1 . . . . 3 C H6 . 11048 1 30 . 1 1 4 4 DG H1' H 1 6.13 0.01 . 1 . . . . 4 G H1' . 11048 1 31 . 1 1 4 4 DG H2' H 1 2.7 0.01 . 1 . . . . 4 G H2' . 11048 1 32 . 1 1 4 4 DG H2'' H 1 2.43 0.01 . 1 . . . . 4 G H2'' . 11048 1 33 . 1 1 4 4 DG H3' H 1 4.67 0.01 . 1 . . . . 4 G H3' . 11048 1 34 . 1 1 4 4 DG H4' H 1 4.14 0.01 . 1 . . . . 4 G H4' . 11048 1 35 . 1 1 4 4 DG H5' H 1 4.05 0.01 . 2 . . . . 4 G H5' . 11048 1 36 . 1 1 4 4 DG H5'' H 1 4.05 0.01 . 2 . . . . 4 G H5'' . 11048 1 37 . 1 1 4 4 DG H8 H 1 7.93 0.01 . 1 . . . . 4 G H8 . 11048 1 stop_ save_