data_11047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11047 _Entry.Title ; RecO-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 . . . 11047 2 Yutaka Ito . . . 11047 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ssDNA . 11047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 37 11047 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' 11047 2 . . 2010-01-25 2008-05-15 update BMRB 'complete entry citation' 11047 1 . . 2009-10-15 2008-05-15 original author 'original release' 11047 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' 11047 BMRB 11046 'Structure of d(TACG) bound to structurally distinct recombinase hsRad51' 11047 BMRB 11048 'Structure of d(TACG) bound to structurally distinct recombinase ecRecT' 11047 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11047 _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 . . . 11047 1 2 Yutaka Ito . . . 11047 1 3 Tohru Terada . . . 11047 1 4 Takehiko Shibata . . . 11047 1 5 Tsutomu Mikawa . . . 11047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11047 _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 . . . 11047 1 2 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 2' 1 $entity_1 B . yes native no no . . . 11047 1 3 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 3' 1 $entity_1 C . yes native no no . . . 11047 1 4 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 4' 1 $entity_1 D . yes native no no . . . 11047 1 5 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 5' 1 $entity_1 E . yes native no no . . . 11047 1 6 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 6' 1 $entity_1 F . yes native no no . . . 11047 1 7 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 7' 1 $entity_1 G . yes native no no . . . 11047 1 8 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 8' 1 $entity_1 H . yes native no no . . . 11047 1 9 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 9' 1 $entity_1 I . yes native no no . . . 11047 1 10 'DNA (5'-D(*DTP*DAP*DCP*DG)-3') 10' 1 $entity_1 J . yes native no no . . . 11047 1 11 ttRecO 2 $entity_2 K . no native no no . . ; ttRecO protein associate/dissociate with nucleic acids quickly enough to measure TRNOE. ; 11047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11047 _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 . 11047 1 2 . DA . 11047 1 3 . DC . 11047 1 4 . DG . 11047 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 11047 1 . DA 2 2 11047 1 . DC 3 3 11047 1 . DG 4 4 11047 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11047 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ttRecO _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 ; MAPAYTGKVERYRLEEGIVV GRKPLPQGDLLLRLVTPRGS LEAVVRKGQRPTGRTGRLSL FHHVRFQLYAKGEGLPTLTQ AELLGRLHGLEAPRRFLLAA FLAELAYRLASPEAAPRIYP LLVSGLRGIAKHEDPLLPLV WAGWRVAKAGGIGPNLEGEG LRLKRGRLGEEGVYLGREGV EALKATLRLPGAQALPHLEG APLNRLFLALKAHAEEALGP LRSAEAIGV ; _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 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 11177 . RecO . . . . . 100.00 229 100.00 100.00 2.58e-151 . . . . 11047 2 2 no DBJ BAD70446 . "DNA repair protein RecO [Thermus thermophilus HB8]" . . . . . 100.00 229 100.00 100.00 2.58e-151 . . . . 11047 2 3 no GB AAS80606 . "hypothetical conserved protein [Thermus thermophilus HB27]" . . . . . 100.00 291 98.69 99.56 1.02e-149 . . . . 11047 2 4 no GB AEG33049 . "DNA repair protein RecO [Thermus thermophilus SG0.5JP17-16]" . . . . . 96.51 221 98.64 99.55 2.23e-142 . . . . 11047 2 5 no GB AFH39328 . "recombinational DNA repair protein (RecF pathway) [Thermus thermophilus JL-18]" . . . . . 96.51 221 98.64 99.55 5.94e-143 . . . . 11047 2 6 no GB EIA39541 . "hypothetical protein RLTM_04716 [Thermus sp. RL]" . . . . . 95.63 221 98.17 99.54 4.70e-141 . . . . 11047 2 7 no REF WP_008632002 . "DNA repair protein RecO [Thermus sp. RL]" . . . . . 95.63 221 98.17 99.54 4.70e-141 . . . . 11047 2 8 no REF WP_011228077 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 100.00 229 100.00 100.00 2.58e-151 . . . . 11047 2 9 no REF WP_014510042 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 96.51 221 98.64 99.55 2.23e-142 . . . . 11047 2 10 no REF WP_014629934 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 96.51 221 98.64 99.55 5.94e-143 . . . . 11047 2 11 no REF WP_024119227 . "DNA repair protein RecO [Thermus thermophilus]" . . . . . 96.51 221 98.64 99.55 5.74e-143 . . . . 11047 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 . 11047 2 2 . ALA . 11047 2 3 . PRO . 11047 2 4 . ALA . 11047 2 5 . TYR . 11047 2 6 . THR . 11047 2 7 . GLY . 11047 2 8 . LYS . 11047 2 9 . VAL . 11047 2 10 . GLU . 11047 2 11 . ARG . 11047 2 12 . TYR . 11047 2 13 . ARG . 11047 2 14 . LEU . 11047 2 15 . GLU . 11047 2 16 . GLU . 11047 2 17 . GLY . 11047 2 18 . ILE . 11047 2 19 . VAL . 11047 2 20 . VAL . 11047 2 21 . GLY . 11047 2 22 . ARG . 11047 2 23 . LYS . 11047 2 24 . PRO . 11047 2 25 . LEU . 11047 2 26 . PRO . 11047 2 27 . GLN . 11047 2 28 . GLY . 11047 2 29 . ASP . 11047 2 30 . LEU . 11047 2 31 . LEU . 11047 2 32 . LEU . 11047 2 33 . ARG . 11047 2 34 . LEU . 11047 2 35 . VAL . 11047 2 36 . THR . 11047 2 37 . PRO . 11047 2 38 . ARG . 11047 2 39 . GLY . 11047 2 40 . SER . 11047 2 41 . LEU . 11047 2 42 . GLU . 11047 2 43 . ALA . 11047 2 44 . VAL . 11047 2 45 . VAL . 11047 2 46 . ARG . 11047 2 47 . LYS . 11047 2 48 . GLY . 11047 2 49 . GLN . 11047 2 50 . ARG . 11047 2 51 . PRO . 11047 2 52 . THR . 11047 2 53 . GLY . 11047 2 54 . ARG . 11047 2 55 . THR . 11047 2 56 . GLY . 11047 2 57 . ARG . 11047 2 58 . LEU . 11047 2 59 . SER . 11047 2 60 . LEU . 11047 2 61 . PHE . 11047 2 62 . HIS . 11047 2 63 . HIS . 11047 2 64 . VAL . 11047 2 65 . ARG . 11047 2 66 . PHE . 11047 2 67 . GLN . 11047 2 68 . LEU . 11047 2 69 . TYR . 11047 2 70 . ALA . 11047 2 71 . LYS . 11047 2 72 . GLY . 11047 2 73 . GLU . 11047 2 74 . GLY . 11047 2 75 . LEU . 11047 2 76 . PRO . 11047 2 77 . THR . 11047 2 78 . LEU . 11047 2 79 . THR . 11047 2 80 . GLN . 11047 2 81 . ALA . 11047 2 82 . GLU . 11047 2 83 . LEU . 11047 2 84 . LEU . 11047 2 85 . GLY . 11047 2 86 . ARG . 11047 2 87 . LEU . 11047 2 88 . HIS . 11047 2 89 . GLY . 11047 2 90 . LEU . 11047 2 91 . GLU . 11047 2 92 . ALA . 11047 2 93 . PRO . 11047 2 94 . ARG . 11047 2 95 . ARG . 11047 2 96 . PHE . 11047 2 97 . LEU . 11047 2 98 . LEU . 11047 2 99 . ALA . 11047 2 100 . ALA . 11047 2 101 . PHE . 11047 2 102 . LEU . 11047 2 103 . ALA . 11047 2 104 . GLU . 11047 2 105 . LEU . 11047 2 106 . ALA . 11047 2 107 . TYR . 11047 2 108 . ARG . 11047 2 109 . LEU . 11047 2 110 . ALA . 11047 2 111 . SER . 11047 2 112 . PRO . 11047 2 113 . GLU . 11047 2 114 . ALA . 11047 2 115 . ALA . 11047 2 116 . PRO . 11047 2 117 . ARG . 11047 2 118 . ILE . 11047 2 119 . TYR . 11047 2 120 . PRO . 11047 2 121 . LEU . 11047 2 122 . LEU . 11047 2 123 . VAL . 11047 2 124 . SER . 11047 2 125 . GLY . 11047 2 126 . LEU . 11047 2 127 . ARG . 11047 2 128 . GLY . 11047 2 129 . ILE . 11047 2 130 . ALA . 11047 2 131 . LYS . 11047 2 132 . HIS . 11047 2 133 . GLU . 11047 2 134 . ASP . 11047 2 135 . PRO . 11047 2 136 . LEU . 11047 2 137 . LEU . 11047 2 138 . PRO . 11047 2 139 . LEU . 11047 2 140 . VAL . 11047 2 141 . TRP . 11047 2 142 . ALA . 11047 2 143 . GLY . 11047 2 144 . TRP . 11047 2 145 . ARG . 11047 2 146 . VAL . 11047 2 147 . ALA . 11047 2 148 . LYS . 11047 2 149 . ALA . 11047 2 150 . GLY . 11047 2 151 . GLY . 11047 2 152 . ILE . 11047 2 153 . GLY . 11047 2 154 . PRO . 11047 2 155 . ASN . 11047 2 156 . LEU . 11047 2 157 . GLU . 11047 2 158 . GLY . 11047 2 159 . GLU . 11047 2 160 . GLY . 11047 2 161 . LEU . 11047 2 162 . ARG . 11047 2 163 . LEU . 11047 2 164 . LYS . 11047 2 165 . ARG . 11047 2 166 . GLY . 11047 2 167 . ARG . 11047 2 168 . LEU . 11047 2 169 . GLY . 11047 2 170 . GLU . 11047 2 171 . GLU . 11047 2 172 . GLY . 11047 2 173 . VAL . 11047 2 174 . TYR . 11047 2 175 . LEU . 11047 2 176 . GLY . 11047 2 177 . ARG . 11047 2 178 . GLU . 11047 2 179 . GLY . 11047 2 180 . VAL . 11047 2 181 . GLU . 11047 2 182 . ALA . 11047 2 183 . LEU . 11047 2 184 . LYS . 11047 2 185 . ALA . 11047 2 186 . THR . 11047 2 187 . LEU . 11047 2 188 . ARG . 11047 2 189 . LEU . 11047 2 190 . PRO . 11047 2 191 . GLY . 11047 2 192 . ALA . 11047 2 193 . GLN . 11047 2 194 . ALA . 11047 2 195 . LEU . 11047 2 196 . PRO . 11047 2 197 . HIS . 11047 2 198 . LEU . 11047 2 199 . GLU . 11047 2 200 . GLY . 11047 2 201 . ALA . 11047 2 202 . PRO . 11047 2 203 . LEU . 11047 2 204 . ASN . 11047 2 205 . ARG . 11047 2 206 . LEU . 11047 2 207 . PHE . 11047 2 208 . LEU . 11047 2 209 . ALA . 11047 2 210 . LEU . 11047 2 211 . LYS . 11047 2 212 . ALA . 11047 2 213 . HIS . 11047 2 214 . ALA . 11047 2 215 . GLU . 11047 2 216 . GLU . 11047 2 217 . ALA . 11047 2 218 . LEU . 11047 2 219 . GLY . 11047 2 220 . PRO . 11047 2 221 . LEU . 11047 2 222 . ARG . 11047 2 223 . SER . 11047 2 224 . ALA . 11047 2 225 . GLU . 11047 2 226 . ALA . 11047 2 227 . ILE . 11047 2 228 . GLY . 11047 2 229 . VAL . 11047 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 11047 2 . ALA 2 2 11047 2 . PRO 3 3 11047 2 . ALA 4 4 11047 2 . TYR 5 5 11047 2 . THR 6 6 11047 2 . GLY 7 7 11047 2 . LYS 8 8 11047 2 . VAL 9 9 11047 2 . GLU 10 10 11047 2 . ARG 11 11 11047 2 . TYR 12 12 11047 2 . ARG 13 13 11047 2 . LEU 14 14 11047 2 . GLU 15 15 11047 2 . GLU 16 16 11047 2 . GLY 17 17 11047 2 . ILE 18 18 11047 2 . VAL 19 19 11047 2 . VAL 20 20 11047 2 . GLY 21 21 11047 2 . ARG 22 22 11047 2 . LYS 23 23 11047 2 . PRO 24 24 11047 2 . LEU 25 25 11047 2 . PRO 26 26 11047 2 . GLN 27 27 11047 2 . GLY 28 28 11047 2 . ASP 29 29 11047 2 . LEU 30 30 11047 2 . LEU 31 31 11047 2 . LEU 32 32 11047 2 . ARG 33 33 11047 2 . LEU 34 34 11047 2 . VAL 35 35 11047 2 . THR 36 36 11047 2 . PRO 37 37 11047 2 . ARG 38 38 11047 2 . GLY 39 39 11047 2 . SER 40 40 11047 2 . LEU 41 41 11047 2 . GLU 42 42 11047 2 . ALA 43 43 11047 2 . VAL 44 44 11047 2 . VAL 45 45 11047 2 . ARG 46 46 11047 2 . LYS 47 47 11047 2 . GLY 48 48 11047 2 . GLN 49 49 11047 2 . ARG 50 50 11047 2 . PRO 51 51 11047 2 . THR 52 52 11047 2 . GLY 53 53 11047 2 . ARG 54 54 11047 2 . THR 55 55 11047 2 . GLY 56 56 11047 2 . ARG 57 57 11047 2 . LEU 58 58 11047 2 . SER 59 59 11047 2 . LEU 60 60 11047 2 . PHE 61 61 11047 2 . HIS 62 62 11047 2 . HIS 63 63 11047 2 . VAL 64 64 11047 2 . ARG 65 65 11047 2 . PHE 66 66 11047 2 . GLN 67 67 11047 2 . LEU 68 68 11047 2 . TYR 69 69 11047 2 . ALA 70 70 11047 2 . LYS 71 71 11047 2 . GLY 72 72 11047 2 . GLU 73 73 11047 2 . GLY 74 74 11047 2 . LEU 75 75 11047 2 . PRO 76 76 11047 2 . THR 77 77 11047 2 . LEU 78 78 11047 2 . THR 79 79 11047 2 . GLN 80 80 11047 2 . ALA 81 81 11047 2 . GLU 82 82 11047 2 . LEU 83 83 11047 2 . LEU 84 84 11047 2 . GLY 85 85 11047 2 . ARG 86 86 11047 2 . LEU 87 87 11047 2 . HIS 88 88 11047 2 . GLY 89 89 11047 2 . LEU 90 90 11047 2 . GLU 91 91 11047 2 . ALA 92 92 11047 2 . PRO 93 93 11047 2 . ARG 94 94 11047 2 . ARG 95 95 11047 2 . PHE 96 96 11047 2 . LEU 97 97 11047 2 . LEU 98 98 11047 2 . ALA 99 99 11047 2 . ALA 100 100 11047 2 . PHE 101 101 11047 2 . LEU 102 102 11047 2 . ALA 103 103 11047 2 . GLU 104 104 11047 2 . LEU 105 105 11047 2 . ALA 106 106 11047 2 . TYR 107 107 11047 2 . ARG 108 108 11047 2 . LEU 109 109 11047 2 . ALA 110 110 11047 2 . SER 111 111 11047 2 . PRO 112 112 11047 2 . GLU 113 113 11047 2 . ALA 114 114 11047 2 . ALA 115 115 11047 2 . PRO 116 116 11047 2 . ARG 117 117 11047 2 . ILE 118 118 11047 2 . TYR 119 119 11047 2 . PRO 120 120 11047 2 . LEU 121 121 11047 2 . LEU 122 122 11047 2 . VAL 123 123 11047 2 . SER 124 124 11047 2 . GLY 125 125 11047 2 . LEU 126 126 11047 2 . ARG 127 127 11047 2 . GLY 128 128 11047 2 . ILE 129 129 11047 2 . ALA 130 130 11047 2 . LYS 131 131 11047 2 . HIS 132 132 11047 2 . GLU 133 133 11047 2 . ASP 134 134 11047 2 . PRO 135 135 11047 2 . LEU 136 136 11047 2 . LEU 137 137 11047 2 . PRO 138 138 11047 2 . LEU 139 139 11047 2 . VAL 140 140 11047 2 . TRP 141 141 11047 2 . ALA 142 142 11047 2 . GLY 143 143 11047 2 . TRP 144 144 11047 2 . ARG 145 145 11047 2 . VAL 146 146 11047 2 . ALA 147 147 11047 2 . LYS 148 148 11047 2 . ALA 149 149 11047 2 . GLY 150 150 11047 2 . GLY 151 151 11047 2 . ILE 152 152 11047 2 . GLY 153 153 11047 2 . PRO 154 154 11047 2 . ASN 155 155 11047 2 . LEU 156 156 11047 2 . GLU 157 157 11047 2 . GLY 158 158 11047 2 . GLU 159 159 11047 2 . GLY 160 160 11047 2 . LEU 161 161 11047 2 . ARG 162 162 11047 2 . LEU 163 163 11047 2 . LYS 164 164 11047 2 . ARG 165 165 11047 2 . GLY 166 166 11047 2 . ARG 167 167 11047 2 . LEU 168 168 11047 2 . GLY 169 169 11047 2 . GLU 170 170 11047 2 . GLU 171 171 11047 2 . GLY 172 172 11047 2 . VAL 173 173 11047 2 . TYR 174 174 11047 2 . LEU 175 175 11047 2 . GLY 176 176 11047 2 . ARG 177 177 11047 2 . GLU 178 178 11047 2 . GLY 179 179 11047 2 . VAL 180 180 11047 2 . GLU 181 181 11047 2 . ALA 182 182 11047 2 . LEU 183 183 11047 2 . LYS 184 184 11047 2 . ALA 185 185 11047 2 . THR 186 186 11047 2 . LEU 187 187 11047 2 . ARG 188 188 11047 2 . LEU 189 189 11047 2 . PRO 190 190 11047 2 . GLY 191 191 11047 2 . ALA 192 192 11047 2 . GLN 193 193 11047 2 . ALA 194 194 11047 2 . LEU 195 195 11047 2 . PRO 196 196 11047 2 . HIS 197 197 11047 2 . LEU 198 198 11047 2 . GLU 199 199 11047 2 . GLY 200 200 11047 2 . ALA 201 201 11047 2 . PRO 202 202 11047 2 . LEU 203 203 11047 2 . ASN 204 204 11047 2 . ARG 205 205 11047 2 . LEU 206 206 11047 2 . PHE 207 207 11047 2 . LEU 208 208 11047 2 . ALA 209 209 11047 2 . LEU 210 210 11047 2 . LYS 211 211 11047 2 . ALA 212 212 11047 2 . HIS 213 213 11047 2 . ALA 214 214 11047 2 . GLU 215 215 11047 2 . GLU 216 216 11047 2 . ALA 217 217 11047 2 . LEU 218 218 11047 2 . GLY 219 219 11047 2 . PRO 220 220 11047 2 . LEU 221 221 11047 2 . ARG 222 222 11047 2 . SER 223 223 11047 2 . ALA 224 224 11047 2 . GLU 225 225 11047 2 . ALA 226 226 11047 2 . ILE 227 227 11047 2 . GLY 228 228 11047 2 . VAL 229 229 11047 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 11047 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11047 1 2 2 $entity_2 . 300852 organism . 'Thermus thermophilus HB8' . . . Bacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . . . . . . 11047 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 11047 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11047 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET11a . . . . . . 11047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11047 _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 . . . . 11047 1 2 ttRecO 'natural abundance' . . 2 $entity_2 . protein 0.05 . . mM . . . . 11047 1 3 MgCl2 'natural abundance' . . . . . salt 5 . . mM . . . . 11047 1 4 NaCl 'natural abundance' . . . . . salt 150 . . mM . . . . 11047 1 5 D2O . . . . . . solvent 100 . . % . . . . 11047 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 11047 _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' 150 . mM 11047 1 pH 7.1 . pH 11047 1 pressure 1 . atm 11047 1 temperature 298 . K 11047 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11047 _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' . . 11047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11047 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 11047 _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 11047 _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 . . . 11047 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 11047 _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 . . . . . . . . . . . . . . . . 11047 1 2 'transferred NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11047 1 3 DQF-COSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11047 1 4 TOCSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11047 1 5 ROESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11047 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 11047 _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 . . . . . . . . . 11047 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 11047 _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 11047 1 2 'transferred NOESY' 1 $sample_1 isotropic 11047 1 3 DQF-COSY 1 $sample_1 isotropic 11047 1 4 TOCSY 1 $sample_1 isotropic 11047 1 5 ROESY 1 $sample_1 isotropic 11047 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' . 11047 1 2 . 1 1 1 1 DT H2' H 1 1.60 0.01 . 2 . . . . 1 T H2' . 11047 1 3 . 1 1 1 1 DT H2'' H 1 2.15 0.01 . 2 . . . . 1 T H2'' . 11047 1 4 . 1 1 1 1 DT H3' H 1 4.58 0.01 . 1 . . . . 1 T H3' . 11047 1 5 . 1 1 1 1 DT H4' H 1 3.98 0.01 . 1 . . . . 1 T H4' . 11047 1 6 . 1 1 1 1 DT H5' H 1 3.61 0.01 . 2 . . . . 1 T H5' . 11047 1 7 . 1 1 1 1 DT H5'' H 1 3.61 0.01 . 2 . . . . 1 T H5'' . 11047 1 8 . 1 1 1 1 DT H6 H 1 7.29 0.01 . 1 . . . . 1 T H6 . 11047 1 9 . 1 1 1 1 DT H71 H 1 1.79 0.01 . 1 . . . . 1 T H7 . 11047 1 10 . 1 1 1 1 DT H72 H 1 1.79 0.01 . 1 . . . . 1 T H7 . 11047 1 11 . 1 1 1 1 DT H73 H 1 1.79 0.01 . 1 . . . . 1 T H7 . 11047 1 12 . 1 1 2 2 DA H1' H 1 6.23 0.01 . 1 . . . . 2 A H1' . 11047 1 13 . 1 1 2 2 DA H2 H 1 8.04 0.01 . 1 . . . . 2 A H2 . 11047 1 14 . 1 1 2 2 DA H2' H 1 2.78 0.01 . 1 . . . . 2 A H2' . 11047 1 15 . 1 1 2 2 DA H2'' H 1 2.68 0.01 . 1 . . . . 2 A H2'' . 11047 1 16 . 1 1 2 2 DA H3' H 1 4.96 0.01 . 1 . . . . 2 A H3' . 11047 1 17 . 1 1 2 2 DA H4' H 1 4.35 0.01 . 1 . . . . 2 A H4' . 11047 1 18 . 1 1 2 2 DA H5' H 1 4.01 0.01 . 2 . . . . 2 A H5' . 11047 1 19 . 1 1 2 2 DA H5'' H 1 4.01 0.01 . 2 . . . . 2 A H5'' . 11047 1 20 . 1 1 2 2 DA H8 H 1 8.31 0.01 . 1 . . . . 2 A H8 . 11047 1 21 . 1 1 3 3 DC H1' H 1 6.00 0.01 . 1 . . . . 3 C H1' . 11047 1 22 . 1 1 3 3 DC H2' H 1 1.88 0.01 . 1 . . . . 3 C H2' . 11047 1 23 . 1 1 3 3 DC H2'' H 1 2.32 0.01 . 1 . . . . 3 C H2'' . 11047 1 24 . 1 1 3 3 DC H3' H 1 4.74 0.01 . 1 . . . . 3 C H3' . 11047 1 25 . 1 1 3 3 DC H4' H 1 4.16 0.01 . 1 . . . . 3 C H4' . 11047 1 26 . 1 1 3 3 DC H5 H 1 5.77 0.01 . 1 . . . . 3 C H5 . 11047 1 27 . 1 1 3 3 DC H5' H 1 4.04 0.01 . 2 . . . . 3 C H5' . 11047 1 28 . 1 1 3 3 DC H5'' H 1 4.04 0.01 . 2 . . . . 3 C H5'' . 11047 1 29 . 1 1 3 3 DC H6 H 1 7.50 0.01 . 1 . . . . 3 C H6 . 11047 1 30 . 1 1 4 4 DG H1' H 1 6.14 0.01 . 1 . . . . 4 G H1' . 11047 1 31 . 1 1 4 4 DG H2' H 1 2.70 0.01 . 1 . . . . 4 G H2' . 11047 1 32 . 1 1 4 4 DG H2'' H 1 2.45 0.01 . 1 . . . . 4 G H2'' . 11047 1 33 . 1 1 4 4 DG H3' H 1 4.68 0.01 . 1 . . . . 4 G H3' . 11047 1 34 . 1 1 4 4 DG H4' H 1 4.16 0.01 . 1 . . . . 4 G H4' . 11047 1 35 . 1 1 4 4 DG H5' H 1 4.06 0.01 . 2 . . . . 4 G H5' . 11047 1 36 . 1 1 4 4 DG H5'' H 1 4.06 0.01 . 2 . . . . 4 G H5'' . 11047 1 37 . 1 1 4 4 DG H8 H 1 7.94 0.01 . 1 . . . . 4 G H8 . 11047 1 stop_ save_