data_11046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11046 _Entry.Title ; hsRad51-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 . . . 11046 2 Yutaka Ito . . . 11046 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ssDNA . 11046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 37 11046 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' 11046 2 . . 2010-01-25 2008-05-15 update BMRB 'complete entry citation' 11046 1 . . 2009-10-15 2008-05-15 original author 'original release' 11046 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' 11046 BMRB 11047 'Structure of d(TACG) bound to structurally distinct recombinase ttRecO' 11046 BMRB 11048 'Structure of d(TACG) bound to structurally distinct recombinase ecRecT' 11046 PDB 2RPE 'BMRB Entry Tracking System' 11046 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11046 _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 . . . 11046 1 2 Yutaka Ito . . . 11046 1 3 Tohru Terada . . . 11046 1 4 Takehiko Shibata . . . 11046 1 5 Tsutomu Mikawa . . . 11046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11046 _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 . . . 11046 1 2 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 2' 1 $entity_1 B . yes native no no . . . 11046 1 3 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 3' 1 $entity_1 C . yes native no no . . . 11046 1 4 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 4' 1 $entity_1 D . yes native no no . . . 11046 1 5 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 5' 1 $entity_1 E . yes native no no . . . 11046 1 6 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 6' 1 $entity_1 F . yes native no no . . . 11046 1 7 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 7' 1 $entity_1 G . yes native no no . . . 11046 1 8 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 8' 1 $entity_1 H . yes native no no . . . 11046 1 9 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 9' 1 $entity_1 I . yes native no no . . . 11046 1 10 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 10' 1 $entity_1 J . yes native no no . . . 11046 1 11 hsRad51 2 $entity_2 K . no native no no . . ; hsRad51 protein associate/dissociate with nucleic acids quickly enough to measure TRNOE. ; 11046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11046 _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 . 11046 1 2 . DA . 11046 1 3 . DC . 11046 1 4 . DG . 11046 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 11046 1 . DA 2 2 11046 1 . DC 3 3 11046 1 . DG 4 4 11046 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11046 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name hsRad51 _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 ; MAMQMQLEANADTSVEEESF GPQPISRLEQCGINANDVKK LEEAGFHTVEAVAYAPKKEL INIKGISEAKADKILAEAAK LVPMGFTTATEFHQRRSEII QITTGSKELDKLLQGGIETG SITEMFGEFRTGKTQICHTL AVTCQLPIDRGGGEGKAMYI DTEGTFRPERLLAVAERYGL SGSDVLDNVAYARAFNTDHQ TQLLYQASAMMVESRYALLI VDSATALYRTDYSGRGELSA RQMHLARFLRMLLRLADEFG VAVVITNQVVAQVDGAAMFA ADPKKPIGGNIIAHASTTRL YLRKGRGETRICKIYDSPCL PEAEAMFAINADGVGDAKD ; _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 339 _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 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 BAA02718 . "Rad51 protein [Mus musculus]" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 2 no DBJ BAA02961 . "MmRad51 [Mus musculus]" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 3 no DBJ BAA02962 . "HsRad51 [Homo sapiens]" . . . . . 100.00 339 99.71 100.00 0.00e+00 . . . . 11046 2 4 no DBJ BAA03189 . "RAD51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 0.00e+00 . . . . 11046 2 5 no DBJ BAB27489 . "unnamed protein product [Mus musculus]" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 6 no EMBL CAA69384 . "rad51 [Cricetulus griseus]" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 7 no EMBL CAG38796 . "RAD51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 0.00e+00 . . . . 11046 2 8 no GB AAC28561 . "Rad51 [Oryctolagus cuniculus]" . . . . . 100.00 339 98.53 98.82 0.00e+00 . . . . 11046 2 9 no GB AAD49705 . "Rad51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 0.00e+00 . . . . 11046 2 10 no GB AAF69145 . "RAD51 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 0.00e+00 . . . . 11046 2 11 no GB AAH27384 . "RAD51 homolog (S. cerevisiae) [Mus musculus]" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 12 no GB AAI05459 . "RAD51 homolog (RecA homolog, E. coli) (S. cerevisiae) [Bos taurus]" . . . . . 100.00 339 99.41 99.41 0.00e+00 . . . . 11046 2 13 no PRF 2102359A . "RAD51-like protein" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 14 no REF NP_001003043 . "DNA repair protein RAD51 homolog 1 [Canis lupus familiaris]" . . . . . 100.00 339 99.12 99.41 0.00e+00 . . . . 11046 2 15 no REF NP_001039644 . "DNA repair protein RAD51 homolog 1 [Bos taurus]" . . . . . 100.00 339 99.41 99.41 0.00e+00 . . . . 11046 2 16 no REF NP_001075493 . "DNA repair protein RAD51 homolog 1 [Oryctolagus cuniculus]" . . . . . 100.00 339 98.53 98.82 0.00e+00 . . . . 11046 2 17 no REF NP_001102674 . "DNA repair protein RAD51 homolog 1 [Rattus norvegicus]" . . . . . 100.00 339 99.41 99.71 0.00e+00 . . . . 11046 2 18 no REF NP_001116653 . "DNA repair protein RAD51 homolog 1 [Sus scrofa]" . . . . . 100.00 339 98.82 99.71 0.00e+00 . . . . 11046 2 19 no SP O77507 . "RecName: Full=DNA repair protein RAD51 homolog 1" . . . . . 100.00 339 98.53 98.82 0.00e+00 . . . . 11046 2 20 no SP P70099 . "RecName: Full=DNA repair protein RAD51 homolog 1" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 21 no SP Q06609 . "RecName: Full=DNA repair protein RAD51 homolog 1; Short=HsRAD51; Short=hRAD51; AltName: Full=RAD51 homolog A" . . . . . 100.00 339 100.00 100.00 0.00e+00 . . . . 11046 2 22 no SP Q08297 . "RecName: Full=DNA repair protein RAD51 homolog 1; AltName: Full=RAD51 homolog A" . . . . . 100.00 339 98.82 99.41 0.00e+00 . . . . 11046 2 23 no SP Q2KJ94 . "RecName: Full=DNA repair protein RAD51 homolog 1" . . . . . 100.00 339 99.41 99.41 0.00e+00 . . . . 11046 2 24 no TPG DAA25435 . "TPA: DNA repair protein RAD51 homolog 1 [Bos taurus]" . . . . . 100.00 339 99.41 99.41 0.00e+00 . . . . 11046 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 . 11046 2 2 . ALA . 11046 2 3 . MET . 11046 2 4 . GLN . 11046 2 5 . MET . 11046 2 6 . GLN . 11046 2 7 . LEU . 11046 2 8 . GLU . 11046 2 9 . ALA . 11046 2 10 . ASN . 11046 2 11 . ALA . 11046 2 12 . ASP . 11046 2 13 . THR . 11046 2 14 . SER . 11046 2 15 . VAL . 11046 2 16 . GLU . 11046 2 17 . GLU . 11046 2 18 . GLU . 11046 2 19 . SER . 11046 2 20 . PHE . 11046 2 21 . GLY . 11046 2 22 . PRO . 11046 2 23 . GLN . 11046 2 24 . PRO . 11046 2 25 . ILE . 11046 2 26 . SER . 11046 2 27 . ARG . 11046 2 28 . LEU . 11046 2 29 . GLU . 11046 2 30 . GLN . 11046 2 31 . CYS . 11046 2 32 . GLY . 11046 2 33 . ILE . 11046 2 34 . ASN . 11046 2 35 . ALA . 11046 2 36 . ASN . 11046 2 37 . ASP . 11046 2 38 . VAL . 11046 2 39 . LYS . 11046 2 40 . LYS . 11046 2 41 . LEU . 11046 2 42 . GLU . 11046 2 43 . GLU . 11046 2 44 . ALA . 11046 2 45 . GLY . 11046 2 46 . PHE . 11046 2 47 . HIS . 11046 2 48 . THR . 11046 2 49 . VAL . 11046 2 50 . GLU . 11046 2 51 . ALA . 11046 2 52 . VAL . 11046 2 53 . ALA . 11046 2 54 . TYR . 11046 2 55 . ALA . 11046 2 56 . PRO . 11046 2 57 . LYS . 11046 2 58 . LYS . 11046 2 59 . GLU . 11046 2 60 . LEU . 11046 2 61 . ILE . 11046 2 62 . ASN . 11046 2 63 . ILE . 11046 2 64 . LYS . 11046 2 65 . GLY . 11046 2 66 . ILE . 11046 2 67 . SER . 11046 2 68 . GLU . 11046 2 69 . ALA . 11046 2 70 . LYS . 11046 2 71 . ALA . 11046 2 72 . ASP . 11046 2 73 . LYS . 11046 2 74 . ILE . 11046 2 75 . LEU . 11046 2 76 . ALA . 11046 2 77 . GLU . 11046 2 78 . ALA . 11046 2 79 . ALA . 11046 2 80 . LYS . 11046 2 81 . LEU . 11046 2 82 . VAL . 11046 2 83 . PRO . 11046 2 84 . MET . 11046 2 85 . GLY . 11046 2 86 . PHE . 11046 2 87 . THR . 11046 2 88 . THR . 11046 2 89 . ALA . 11046 2 90 . THR . 11046 2 91 . GLU . 11046 2 92 . PHE . 11046 2 93 . HIS . 11046 2 94 . GLN . 11046 2 95 . ARG . 11046 2 96 . ARG . 11046 2 97 . SER . 11046 2 98 . GLU . 11046 2 99 . ILE . 11046 2 100 . ILE . 11046 2 101 . GLN . 11046 2 102 . ILE . 11046 2 103 . THR . 11046 2 104 . THR . 11046 2 105 . GLY . 11046 2 106 . SER . 11046 2 107 . LYS . 11046 2 108 . GLU . 11046 2 109 . LEU . 11046 2 110 . ASP . 11046 2 111 . LYS . 11046 2 112 . LEU . 11046 2 113 . LEU . 11046 2 114 . GLN . 11046 2 115 . GLY . 11046 2 116 . GLY . 11046 2 117 . ILE . 11046 2 118 . GLU . 11046 2 119 . THR . 11046 2 120 . GLY . 11046 2 121 . SER . 11046 2 122 . ILE . 11046 2 123 . THR . 11046 2 124 . GLU . 11046 2 125 . MET . 11046 2 126 . PHE . 11046 2 127 . GLY . 11046 2 128 . GLU . 11046 2 129 . PHE . 11046 2 130 . ARG . 11046 2 131 . THR . 11046 2 132 . GLY . 11046 2 133 . LYS . 11046 2 134 . THR . 11046 2 135 . GLN . 11046 2 136 . ILE . 11046 2 137 . CYS . 11046 2 138 . HIS . 11046 2 139 . THR . 11046 2 140 . LEU . 11046 2 141 . ALA . 11046 2 142 . VAL . 11046 2 143 . THR . 11046 2 144 . CYS . 11046 2 145 . GLN . 11046 2 146 . LEU . 11046 2 147 . PRO . 11046 2 148 . ILE . 11046 2 149 . ASP . 11046 2 150 . ARG . 11046 2 151 . GLY . 11046 2 152 . GLY . 11046 2 153 . GLY . 11046 2 154 . GLU . 11046 2 155 . GLY . 11046 2 156 . LYS . 11046 2 157 . ALA . 11046 2 158 . MET . 11046 2 159 . TYR . 11046 2 160 . ILE . 11046 2 161 . ASP . 11046 2 162 . THR . 11046 2 163 . GLU . 11046 2 164 . GLY . 11046 2 165 . THR . 11046 2 166 . PHE . 11046 2 167 . ARG . 11046 2 168 . PRO . 11046 2 169 . GLU . 11046 2 170 . ARG . 11046 2 171 . LEU . 11046 2 172 . LEU . 11046 2 173 . ALA . 11046 2 174 . VAL . 11046 2 175 . ALA . 11046 2 176 . GLU . 11046 2 177 . ARG . 11046 2 178 . TYR . 11046 2 179 . GLY . 11046 2 180 . LEU . 11046 2 181 . SER . 11046 2 182 . GLY . 11046 2 183 . SER . 11046 2 184 . ASP . 11046 2 185 . VAL . 11046 2 186 . LEU . 11046 2 187 . ASP . 11046 2 188 . ASN . 11046 2 189 . VAL . 11046 2 190 . ALA . 11046 2 191 . TYR . 11046 2 192 . ALA . 11046 2 193 . ARG . 11046 2 194 . ALA . 11046 2 195 . PHE . 11046 2 196 . ASN . 11046 2 197 . THR . 11046 2 198 . ASP . 11046 2 199 . HIS . 11046 2 200 . GLN . 11046 2 201 . THR . 11046 2 202 . GLN . 11046 2 203 . LEU . 11046 2 204 . LEU . 11046 2 205 . TYR . 11046 2 206 . GLN . 11046 2 207 . ALA . 11046 2 208 . SER . 11046 2 209 . ALA . 11046 2 210 . MET . 11046 2 211 . MET . 11046 2 212 . VAL . 11046 2 213 . GLU . 11046 2 214 . SER . 11046 2 215 . ARG . 11046 2 216 . TYR . 11046 2 217 . ALA . 11046 2 218 . LEU . 11046 2 219 . LEU . 11046 2 220 . ILE . 11046 2 221 . VAL . 11046 2 222 . ASP . 11046 2 223 . SER . 11046 2 224 . ALA . 11046 2 225 . THR . 11046 2 226 . ALA . 11046 2 227 . LEU . 11046 2 228 . TYR . 11046 2 229 . ARG . 11046 2 230 . THR . 11046 2 231 . ASP . 11046 2 232 . TYR . 11046 2 233 . SER . 11046 2 234 . GLY . 11046 2 235 . ARG . 11046 2 236 . GLY . 11046 2 237 . GLU . 11046 2 238 . LEU . 11046 2 239 . SER . 11046 2 240 . ALA . 11046 2 241 . ARG . 11046 2 242 . GLN . 11046 2 243 . MET . 11046 2 244 . HIS . 11046 2 245 . LEU . 11046 2 246 . ALA . 11046 2 247 . ARG . 11046 2 248 . PHE . 11046 2 249 . LEU . 11046 2 250 . ARG . 11046 2 251 . MET . 11046 2 252 . LEU . 11046 2 253 . LEU . 11046 2 254 . ARG . 11046 2 255 . LEU . 11046 2 256 . ALA . 11046 2 257 . ASP . 11046 2 258 . GLU . 11046 2 259 . PHE . 11046 2 260 . GLY . 11046 2 261 . VAL . 11046 2 262 . ALA . 11046 2 263 . VAL . 11046 2 264 . VAL . 11046 2 265 . ILE . 11046 2 266 . THR . 11046 2 267 . ASN . 11046 2 268 . GLN . 11046 2 269 . VAL . 11046 2 270 . VAL . 11046 2 271 . ALA . 11046 2 272 . GLN . 11046 2 273 . VAL . 11046 2 274 . ASP . 11046 2 275 . GLY . 11046 2 276 . ALA . 11046 2 277 . ALA . 11046 2 278 . MET . 11046 2 279 . PHE . 11046 2 280 . ALA . 11046 2 281 . ALA . 11046 2 282 . ASP . 11046 2 283 . PRO . 11046 2 284 . LYS . 11046 2 285 . LYS . 11046 2 286 . PRO . 11046 2 287 . ILE . 11046 2 288 . GLY . 11046 2 289 . GLY . 11046 2 290 . ASN . 11046 2 291 . ILE . 11046 2 292 . ILE . 11046 2 293 . ALA . 11046 2 294 . HIS . 11046 2 295 . ALA . 11046 2 296 . SER . 11046 2 297 . THR . 11046 2 298 . THR . 11046 2 299 . ARG . 11046 2 300 . LEU . 11046 2 301 . TYR . 11046 2 302 . LEU . 11046 2 303 . ARG . 11046 2 304 . LYS . 11046 2 305 . GLY . 11046 2 306 . ARG . 11046 2 307 . GLY . 11046 2 308 . GLU . 11046 2 309 . THR . 11046 2 310 . ARG . 11046 2 311 . ILE . 11046 2 312 . CYS . 11046 2 313 . LYS . 11046 2 314 . ILE . 11046 2 315 . TYR . 11046 2 316 . ASP . 11046 2 317 . SER . 11046 2 318 . PRO . 11046 2 319 . CYS . 11046 2 320 . LEU . 11046 2 321 . PRO . 11046 2 322 . GLU . 11046 2 323 . ALA . 11046 2 324 . GLU . 11046 2 325 . ALA . 11046 2 326 . MET . 11046 2 327 . PHE . 11046 2 328 . ALA . 11046 2 329 . ILE . 11046 2 330 . ASN . 11046 2 331 . ALA . 11046 2 332 . ASP . 11046 2 333 . GLY . 11046 2 334 . VAL . 11046 2 335 . GLY . 11046 2 336 . ASP . 11046 2 337 . ALA . 11046 2 338 . LYS . 11046 2 339 . ASP . 11046 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 11046 2 . ALA 2 2 11046 2 . MET 3 3 11046 2 . GLN 4 4 11046 2 . MET 5 5 11046 2 . GLN 6 6 11046 2 . LEU 7 7 11046 2 . GLU 8 8 11046 2 . ALA 9 9 11046 2 . ASN 10 10 11046 2 . ALA 11 11 11046 2 . ASP 12 12 11046 2 . THR 13 13 11046 2 . SER 14 14 11046 2 . VAL 15 15 11046 2 . GLU 16 16 11046 2 . GLU 17 17 11046 2 . GLU 18 18 11046 2 . SER 19 19 11046 2 . PHE 20 20 11046 2 . GLY 21 21 11046 2 . PRO 22 22 11046 2 . GLN 23 23 11046 2 . PRO 24 24 11046 2 . ILE 25 25 11046 2 . SER 26 26 11046 2 . ARG 27 27 11046 2 . LEU 28 28 11046 2 . GLU 29 29 11046 2 . GLN 30 30 11046 2 . CYS 31 31 11046 2 . GLY 32 32 11046 2 . ILE 33 33 11046 2 . ASN 34 34 11046 2 . ALA 35 35 11046 2 . ASN 36 36 11046 2 . ASP 37 37 11046 2 . VAL 38 38 11046 2 . LYS 39 39 11046 2 . LYS 40 40 11046 2 . LEU 41 41 11046 2 . GLU 42 42 11046 2 . GLU 43 43 11046 2 . ALA 44 44 11046 2 . GLY 45 45 11046 2 . PHE 46 46 11046 2 . HIS 47 47 11046 2 . THR 48 48 11046 2 . VAL 49 49 11046 2 . GLU 50 50 11046 2 . ALA 51 51 11046 2 . VAL 52 52 11046 2 . ALA 53 53 11046 2 . TYR 54 54 11046 2 . ALA 55 55 11046 2 . PRO 56 56 11046 2 . LYS 57 57 11046 2 . LYS 58 58 11046 2 . GLU 59 59 11046 2 . LEU 60 60 11046 2 . ILE 61 61 11046 2 . ASN 62 62 11046 2 . ILE 63 63 11046 2 . LYS 64 64 11046 2 . GLY 65 65 11046 2 . ILE 66 66 11046 2 . SER 67 67 11046 2 . GLU 68 68 11046 2 . ALA 69 69 11046 2 . LYS 70 70 11046 2 . ALA 71 71 11046 2 . ASP 72 72 11046 2 . LYS 73 73 11046 2 . ILE 74 74 11046 2 . LEU 75 75 11046 2 . ALA 76 76 11046 2 . GLU 77 77 11046 2 . ALA 78 78 11046 2 . ALA 79 79 11046 2 . LYS 80 80 11046 2 . LEU 81 81 11046 2 . VAL 82 82 11046 2 . PRO 83 83 11046 2 . MET 84 84 11046 2 . GLY 85 85 11046 2 . PHE 86 86 11046 2 . THR 87 87 11046 2 . THR 88 88 11046 2 . ALA 89 89 11046 2 . THR 90 90 11046 2 . GLU 91 91 11046 2 . PHE 92 92 11046 2 . HIS 93 93 11046 2 . GLN 94 94 11046 2 . ARG 95 95 11046 2 . ARG 96 96 11046 2 . SER 97 97 11046 2 . GLU 98 98 11046 2 . ILE 99 99 11046 2 . ILE 100 100 11046 2 . GLN 101 101 11046 2 . ILE 102 102 11046 2 . THR 103 103 11046 2 . THR 104 104 11046 2 . GLY 105 105 11046 2 . SER 106 106 11046 2 . LYS 107 107 11046 2 . GLU 108 108 11046 2 . LEU 109 109 11046 2 . ASP 110 110 11046 2 . LYS 111 111 11046 2 . LEU 112 112 11046 2 . LEU 113 113 11046 2 . GLN 114 114 11046 2 . GLY 115 115 11046 2 . GLY 116 116 11046 2 . ILE 117 117 11046 2 . GLU 118 118 11046 2 . THR 119 119 11046 2 . GLY 120 120 11046 2 . SER 121 121 11046 2 . ILE 122 122 11046 2 . THR 123 123 11046 2 . GLU 124 124 11046 2 . MET 125 125 11046 2 . PHE 126 126 11046 2 . GLY 127 127 11046 2 . GLU 128 128 11046 2 . PHE 129 129 11046 2 . ARG 130 130 11046 2 . THR 131 131 11046 2 . GLY 132 132 11046 2 . LYS 133 133 11046 2 . THR 134 134 11046 2 . GLN 135 135 11046 2 . ILE 136 136 11046 2 . CYS 137 137 11046 2 . HIS 138 138 11046 2 . THR 139 139 11046 2 . LEU 140 140 11046 2 . ALA 141 141 11046 2 . VAL 142 142 11046 2 . THR 143 143 11046 2 . CYS 144 144 11046 2 . GLN 145 145 11046 2 . LEU 146 146 11046 2 . PRO 147 147 11046 2 . ILE 148 148 11046 2 . ASP 149 149 11046 2 . ARG 150 150 11046 2 . GLY 151 151 11046 2 . GLY 152 152 11046 2 . GLY 153 153 11046 2 . GLU 154 154 11046 2 . GLY 155 155 11046 2 . LYS 156 156 11046 2 . ALA 157 157 11046 2 . MET 158 158 11046 2 . TYR 159 159 11046 2 . ILE 160 160 11046 2 . ASP 161 161 11046 2 . THR 162 162 11046 2 . GLU 163 163 11046 2 . GLY 164 164 11046 2 . THR 165 165 11046 2 . PHE 166 166 11046 2 . ARG 167 167 11046 2 . PRO 168 168 11046 2 . GLU 169 169 11046 2 . ARG 170 170 11046 2 . LEU 171 171 11046 2 . LEU 172 172 11046 2 . ALA 173 173 11046 2 . VAL 174 174 11046 2 . ALA 175 175 11046 2 . GLU 176 176 11046 2 . ARG 177 177 11046 2 . TYR 178 178 11046 2 . GLY 179 179 11046 2 . LEU 180 180 11046 2 . SER 181 181 11046 2 . GLY 182 182 11046 2 . SER 183 183 11046 2 . ASP 184 184 11046 2 . VAL 185 185 11046 2 . LEU 186 186 11046 2 . ASP 187 187 11046 2 . ASN 188 188 11046 2 . VAL 189 189 11046 2 . ALA 190 190 11046 2 . TYR 191 191 11046 2 . ALA 192 192 11046 2 . ARG 193 193 11046 2 . ALA 194 194 11046 2 . PHE 195 195 11046 2 . ASN 196 196 11046 2 . THR 197 197 11046 2 . ASP 198 198 11046 2 . HIS 199 199 11046 2 . GLN 200 200 11046 2 . THR 201 201 11046 2 . GLN 202 202 11046 2 . LEU 203 203 11046 2 . LEU 204 204 11046 2 . TYR 205 205 11046 2 . GLN 206 206 11046 2 . ALA 207 207 11046 2 . SER 208 208 11046 2 . ALA 209 209 11046 2 . MET 210 210 11046 2 . MET 211 211 11046 2 . VAL 212 212 11046 2 . GLU 213 213 11046 2 . SER 214 214 11046 2 . ARG 215 215 11046 2 . TYR 216 216 11046 2 . ALA 217 217 11046 2 . LEU 218 218 11046 2 . LEU 219 219 11046 2 . ILE 220 220 11046 2 . VAL 221 221 11046 2 . ASP 222 222 11046 2 . SER 223 223 11046 2 . ALA 224 224 11046 2 . THR 225 225 11046 2 . ALA 226 226 11046 2 . LEU 227 227 11046 2 . TYR 228 228 11046 2 . ARG 229 229 11046 2 . THR 230 230 11046 2 . ASP 231 231 11046 2 . TYR 232 232 11046 2 . SER 233 233 11046 2 . GLY 234 234 11046 2 . ARG 235 235 11046 2 . GLY 236 236 11046 2 . GLU 237 237 11046 2 . LEU 238 238 11046 2 . SER 239 239 11046 2 . ALA 240 240 11046 2 . ARG 241 241 11046 2 . GLN 242 242 11046 2 . MET 243 243 11046 2 . HIS 244 244 11046 2 . LEU 245 245 11046 2 . ALA 246 246 11046 2 . ARG 247 247 11046 2 . PHE 248 248 11046 2 . LEU 249 249 11046 2 . ARG 250 250 11046 2 . MET 251 251 11046 2 . LEU 252 252 11046 2 . LEU 253 253 11046 2 . ARG 254 254 11046 2 . LEU 255 255 11046 2 . ALA 256 256 11046 2 . ASP 257 257 11046 2 . GLU 258 258 11046 2 . PHE 259 259 11046 2 . GLY 260 260 11046 2 . VAL 261 261 11046 2 . ALA 262 262 11046 2 . VAL 263 263 11046 2 . VAL 264 264 11046 2 . ILE 265 265 11046 2 . THR 266 266 11046 2 . ASN 267 267 11046 2 . GLN 268 268 11046 2 . VAL 269 269 11046 2 . VAL 270 270 11046 2 . ALA 271 271 11046 2 . GLN 272 272 11046 2 . VAL 273 273 11046 2 . ASP 274 274 11046 2 . GLY 275 275 11046 2 . ALA 276 276 11046 2 . ALA 277 277 11046 2 . MET 278 278 11046 2 . PHE 279 279 11046 2 . ALA 280 280 11046 2 . ALA 281 281 11046 2 . ASP 282 282 11046 2 . PRO 283 283 11046 2 . LYS 284 284 11046 2 . LYS 285 285 11046 2 . PRO 286 286 11046 2 . ILE 287 287 11046 2 . GLY 288 288 11046 2 . GLY 289 289 11046 2 . ASN 290 290 11046 2 . ILE 291 291 11046 2 . ILE 292 292 11046 2 . ALA 293 293 11046 2 . HIS 294 294 11046 2 . ALA 295 295 11046 2 . SER 296 296 11046 2 . THR 297 297 11046 2 . THR 298 298 11046 2 . ARG 299 299 11046 2 . LEU 300 300 11046 2 . TYR 301 301 11046 2 . LEU 302 302 11046 2 . ARG 303 303 11046 2 . LYS 304 304 11046 2 . GLY 305 305 11046 2 . ARG 306 306 11046 2 . GLY 307 307 11046 2 . GLU 308 308 11046 2 . THR 309 309 11046 2 . ARG 310 310 11046 2 . ILE 311 311 11046 2 . CYS 312 312 11046 2 . LYS 313 313 11046 2 . ILE 314 314 11046 2 . TYR 315 315 11046 2 . ASP 316 316 11046 2 . SER 317 317 11046 2 . PRO 318 318 11046 2 . CYS 319 319 11046 2 . LEU 320 320 11046 2 . PRO 321 321 11046 2 . GLU 322 322 11046 2 . ALA 323 323 11046 2 . GLU 324 324 11046 2 . ALA 325 325 11046 2 . MET 326 326 11046 2 . PHE 327 327 11046 2 . ALA 328 328 11046 2 . ILE 329 329 11046 2 . ASN 330 330 11046 2 . ALA 331 331 11046 2 . ASP 332 332 11046 2 . GLY 333 333 11046 2 . VAL 334 334 11046 2 . GLY 335 335 11046 2 . ASP 336 336 11046 2 . ALA 337 337 11046 2 . LYS 338 338 11046 2 . ASP 339 339 11046 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 11046 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11046 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11046 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 11046 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11046 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli K12' . . 83333 Escherichia coli K12 . . . . . . . . . . . . plasmid . . pET15b . . . . . . 11046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11046 _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 0.5 . . mM . . . . 11046 1 2 hsRad51 'natural abundance' . . 2 $entity_2 . protein 0.05 . . mM . . . . 11046 1 3 AMP-PNP 'natural abundance' . . . . . additive 10 . . mM . . . . 11046 1 4 MgCl2 'natural abundance' . . . . . salt 5 . . mM . . . . 11046 1 5 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11046 1 6 D2O . . . . . . protein 100 . . % . . . . 11046 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 11046 _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 11046 1 pH 7.1 . pH 11046 1 pressure 1 . atm 11046 1 temperature 298 . K 11046 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11046 _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' . . 11046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11046 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 11046 _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 11046 _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 . . . 11046 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 11046 _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 . . . . . . . . . . . . . . . . 11046 1 2 'transferred NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11046 1 3 DQF-COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11046 1 4 TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11046 1 5 ROESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11046 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 11046 _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 . . . . . . . . . 11046 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 11046 _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 11046 1 2 'transferred NOESY' 1 $sample_1 isotropic 11046 1 3 DQF-COSY 1 $sample_1 isotropic 11046 1 4 TOCSY 1 $sample_1 isotropic 11046 1 5 ROESY 1 $sample_1 isotropic 11046 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' . 11046 1 2 . 1 1 1 1 DT H2' H 1 1.60 0.01 . 2 . . . . 1 T H2' . 11046 1 3 . 1 1 1 1 DT H2'' H 1 2.15 0.01 . 2 . . . . 1 T H2'' . 11046 1 4 . 1 1 1 1 DT H3' H 1 4.57 0.01 . 1 . . . . 1 T H3' . 11046 1 5 . 1 1 1 1 DT H4' H 1 3.99 0.01 . 1 . . . . 1 T H4' . 11046 1 6 . 1 1 1 1 DT H5' H 1 3.61 0.01 . 2 . . . . 1 T H5' . 11046 1 7 . 1 1 1 1 DT H5'' H 1 3.61 0.01 . 2 . . . . 1 T H5'' . 11046 1 8 . 1 1 1 1 DT H6 H 1 7.29 0.01 . 1 . . . . 1 T H6 . 11046 1 9 . 1 1 1 1 DT H71 H 1 1.79 0.01 . 1 . . . . 1 T H7 . 11046 1 10 . 1 1 1 1 DT H72 H 1 1.79 0.01 . 1 . . . . 1 T H7 . 11046 1 11 . 1 1 1 1 DT H73 H 1 1.79 0.01 . 1 . . . . 1 T H7 . 11046 1 12 . 1 1 2 2 DA H1' H 1 6.24 0.01 . 1 . . . . 2 A H1' . 11046 1 13 . 1 1 2 2 DA H2 H 1 8.04 0.01 . 1 . . . . 2 A H2 . 11046 1 14 . 1 1 2 2 DA H2' H 1 2.79 0.01 . 1 . . . . 2 A H2' . 11046 1 15 . 1 1 2 2 DA H2'' H 1 2.69 0.01 . 1 . . . . 2 A H2'' . 11046 1 16 . 1 1 2 2 DA H3' H 1 4.96 0.01 . 1 . . . . 2 A H3' . 11046 1 17 . 1 1 2 2 DA H4' H 1 4.36 0.01 . 1 . . . . 2 A H4' . 11046 1 18 . 1 1 2 2 DA H5' H 1 4.01 0.01 . 2 . . . . 2 A H5' . 11046 1 19 . 1 1 2 2 DA H5'' H 1 4.01 0.01 . 2 . . . . 2 A H5'' . 11046 1 20 . 1 1 2 2 DA H8 H 1 8.31 0.01 . 1 . . . . 2 A H8 . 11046 1 21 . 1 1 3 3 DC H1' H 1 6.03 0.01 . 1 . . . . 3 C H1' . 11046 1 22 . 1 1 3 3 DC H2' H 1 1.88 0.01 . 1 . . . . 3 C H2' . 11046 1 23 . 1 1 3 3 DC H2'' H 1 2.32 0.01 . 1 . . . . 3 C H2'' . 11046 1 24 . 1 1 3 3 DC H3' H 1 4.73 0.01 . 1 . . . . 3 C H3' . 11046 1 25 . 1 1 3 3 DC H4' H 1 4.16 0.01 . 1 . . . . 3 C H4' . 11046 1 26 . 1 1 3 3 DC H5 H 1 5.76 0.01 . 1 . . . . 3 C H5 . 11046 1 27 . 1 1 3 3 DC H5' H 1 4.03 0.01 . 2 . . . . 3 C H5' . 11046 1 28 . 1 1 3 3 DC H5'' H 1 4.03 0.01 . 2 . . . . 3 C H5'' . 11046 1 29 . 1 1 3 3 DC H6 H 1 7.50 0.01 . 1 . . . . 3 C H6 . 11046 1 30 . 1 1 4 4 DG H1' H 1 6.13 0.01 . 1 . . . . 4 G H1' . 11046 1 31 . 1 1 4 4 DG H2' H 1 2.69 0.01 . 1 . . . . 4 G H2' . 11046 1 32 . 1 1 4 4 DG H2'' H 1 2.43 0.01 . 1 . . . . 4 G H2'' . 11046 1 33 . 1 1 4 4 DG H3' H 1 4.66 0.01 . 1 . . . . 4 G H3' . 11046 1 34 . 1 1 4 4 DG H4' H 1 4.15 0.01 . 1 . . . . 4 G H4' . 11046 1 35 . 1 1 4 4 DG H5' H 1 4.05 0.01 . 2 . . . . 4 G H5' . 11046 1 36 . 1 1 4 4 DG H5'' H 1 4.05 0.01 . 2 . . . . 4 G H5'' . 11046 1 37 . 1 1 4 4 DG H8 H 1 7.93 0.01 . 1 . . . . 4 G H8 . 11046 1 stop_ save_