data_5671 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Overall structure and sugar dynamics of a DNA dodecamer from homo and heteronuclear dipolar couplings and 31P chemical shift anisotropy ; _BMRB_accession_number 5671 _BMRB_flat_file_name bmr5671.str _Entry_type original _Submission_date 2003-01-23 _Accession_date 2003-01-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhengrong W. . . 2 Delaglio F. . . 3 Tjandra N. . . 4 Zhurkin V. . . 5 Bax A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 coupling_constants 2 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "31P chemical shifts" 22 "coupling constants" 22 "residual dipolar couplings" 636 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-16 update BMRB 'update DNA residue label to two-letter code' 2003-11-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Overall Structure and Sugar Dynamics of a DNA Dodecamer from Homo- and Heteronuclear Dipolar Couplings and 31P Chemical Shift Anisotropy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22699281 _PubMed_ID 12815257 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Z. . . 2 Delaglio F. . . 3 Tjandra N. . . 4 Zhurkin V. B. . 5 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 26 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 297 _Page_last 315 _Year 2003 _Details . loop_ _Keyword 'Dickerson Dodecamer' stop_ save_ ################################## # Molecular system description # ################################## save_system_Dodecamer _Saveframe_category molecular_system _Mol_system_name 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' _Abbreviation_common Dodecamer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Dodecamer, chain A' $Dodecamer 'Dodecamer, chain B' $Dodecamer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Dodecamer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common Dodecamer _Abbreviation_common Dodecamer _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 12 _Mol_residue_sequence CGCGAATTCGCG loop_ _Residue_seq_code _Residue_label 1 DC 2 DG 3 DC 4 DG 5 DA 6 DA 7 DT 8 DT 9 DC 10 DG 11 DC 12 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Dodecamer . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Dodecamer 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dodecamer 0.5 mM . 'sodium phosphate' 40 mM . NaN3 0.04 % . 'DMPC/DHPC/CTAB (30/10/1)' 5 % . D2O 100 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dodecamer 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 40 mM . NaN3 0.04 % . 'pf1 phage' 20 mg/mL . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '1.7 REV 1999.039.11.31' loop_ _Task 'data analysis' stop_ _Details 'Delaglio, Frank' save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version '2.4 and 2.6' loop_ _Task collection stop_ _Details Bruker save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.841 loop_ _Task refinement stop_ _Details BRUNGER save_ save_CosyView _Saveframe_category software _Name CosyView _Version . loop_ _Task 'data analysis' stop_ _Details 'Delaglio, Frank' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_H-31P-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name H-31P-HSQC _Sample_label . save_ save_HP-ctNOESY-DIF_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'HP-ctNOESY-DIF COSY' _Sample_label . save_ save_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label . save_ save_2D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_13C-HSQC-J-MODULATED_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-J-MODULATED _Sample_label . save_ save_3C-HSQC-F1-COUPLED_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3C-HSQC-F1-COUPLED _Sample_label . save_ save_15N-HSQC-F1-COUPLED_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-F1-COUPLED _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name H-31P-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'HP-ctNOESY-DIF COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-J-MODULATED _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3C-HSQC-F1-COUPLED _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-F1-COUPLED _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 40 . mM pH 7.0 . n/a pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label . P 31 . ppm . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Dodecamer, chain A' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 DG P P -8.447 2.0 . 2 . 3 DC P P -9.414 2.0 . 3 . 4 DG P P -20.919 2.0 . 4 . 5 DA P P -45.291 2.0 . 5 . 6 DA P P -18.054 2.0 . 6 . 7 DT P P 34.758 2.0 . 7 . 8 DT P P 47.785 2.0 . 8 . 9 DC P P 52.721 2.0 . 9 . 10 DG P P 39.862 2.0 . 10 . 11 DC P P 51.021 2.0 . 11 . 12 DG P P 47.102 2.0 . stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Dodecamer, chain B' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 DG P P -8.447 2.0 . 2 . 3 DC P P -9.414 2.0 . 3 . 4 DG P P -20.919 2.0 . 4 . 5 DA P P -45.291 2.0 . 5 . 6 DA P P -18.054 2.0 . 6 . 7 DT P P 34.758 2.0 . 7 . 8 DT P P 47.785 2.0 . 8 . 9 DC P P 52.721 2.0 . 9 . 10 DG P P 39.862 2.0 . 10 . 11 DC P P 51.021 2.0 . 11 . 12 DG P P 47.102 2.0 . stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'Dodecamer, chain A' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JH3'P(i+1) 1 DC H3' 2 DG P 2.140 . . 0.150 2 3JH3'P(i+1) 2 DG H3' 3 DC P 2.460 . . 0.110 3 3JH3'P(i+1) 3 DC H3' 4 DG P 1.660 . . 0.180 4 3JH3'P(i+1) 4 DG H3' 5 DA P 1.500 . . 0.120 5 3JH3'P(i+1) 5 DA H3' 6 DA P 2.260 . . 0.140 6 3JH3'P(i+1) 6 DA H3' 7 DT P 2.200 . . 0.190 7 3JH3'P(i+1) 7 DT H3' 8 DT P 1.640 . . 0.190 8 3JH3'P(i+1) 8 DT H3' 9 DC P 0.270 . . 0.190 9 3JH3'P(i+1) 9 DC H3' 10 DG P -0.570 . . 0.190 10 3JH3'P(i+1) 10 DG H3' 11 DC P -0.780 . . 0.150 11 3JH3'P(i+1) 11 DC H3' 12 DG P 0.770 . . 0.140 stop_ save_ save_coupling_constants_set_2 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'Dodecamer, chain B' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JH3'P(i+1) 1 DC H3' 2 DG P 2.140 . . 0.150 2 3JH3'P(i+1) 2 DG H3' 3 DC P 2.460 . . 0.110 3 3JH3'P(i+1) 3 DC H3' 4 DG P 1.660 . . 0.180 4 3JH3'P(i+1) 4 DG H3' 5 DA P 1.500 . . 0.120 5 3JH3'P(i+1) 5 DA H3' 6 DA P 2.260 . . 0.140 6 3JH3'P(i+1) 6 DA H3' 7 DT P 2.200 . . 0.190 7 3JH3'P(i+1) 7 DT H3' 8 DT P 1.640 . . 0.190 8 3JH3'P(i+1) 8 DT H3' 9 DC P 0.270 . . 0.190 9 3JH3'P(i+1) 9 DC H3' 10 DG P -0.570 . . 0.190 10 3JH3'P(i+1) 10 DG H3' 11 DC P -0.780 . . 0.150 11 3JH3'P(i+1) 11 DC H3' 12 DG P 0.770 . . 0.140 stop_ save_ save_residual_dipolar_couplings_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 $sample_2 stop_ _Details . _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 800 _Text_data_format . _Text_data . loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error . 1 DC H6 1 DC C6 5.24 ? ? . . 0.200 . 1 DC H5 1 DC C5 14.53 ? ? . . 0.200 . 2 DG H8 2 DG C8 6.95 ? ? . . 0.200 . 3 DC H6 3 DC C6 17.95 ? ? . . 0.200 . 3 DC H5 3 DC C5 4.26 ? ? . . 0.200 . 4 DG H8 4 DG C8 24.20 ? ? . . 0.200 . 5 DA H2 5 DA C2 21.36 ? ? . . 0.200 . 5 DA H8 5 DA C8 22.31 ? ? . . 0.200 . 6 DA H2 6 DA C2 22.99 ? ? . . 0.200 . 6 DA H8 6 DA C8 17.73 ? ? . . 0.200 . 7 DT H6 7 DT C6 10.68 ? ? . . 0.200 . 8 DT H6 8 DT C6 23.52 ? ? . . 0.200 . 9 DC H6 9 DC C6 23.52 ? ? . . 0.200 . 9 DC H5 9 DC C5 8.73 ? ? . . 0.200 . 10 DG H8 10 DG C8 19.93 ? ? . . 0.200 . 11 DC H6 11 DC C6 10.86 ? ? . . 0.200 . 11 DC H5 11 DC C5 24.20 ? ? . . 0.200 . 12 DG H8 12 DG C8 2.42 ? ? . . 0.200 . 1 DC H2'' 1 DC C2' 1.03 ? ? . . 0.200 . 2 DG H2'' 2 DG C2' -17.53 ? ? . . 0.200 . 3 DC H2'' 3 DC C2' -8.42 ? ? . . 0.200 . 4 DG H2'' 4 DG C2' -24.41 ? ? . . 0.200 . 5 DA H2'' 5 DA C2' -14.19 ? ? . . 0.200 . 6 DA H2'' 6 DA C2' -16.15 ? ? . . 0.200 . 9 DC H2'' 9 DC C2' -18.20 ? ? . . 0.200 . 10 DG H2'' 10 DG C2' -23.86 ? ? . . 0.200 . 11 DC H2'' 11 DC C2' -1.17 ? ? . . 0.200 . 12 DG H2'' 12 DG C2' -4.84 ? ? . . 0.200 . 1 DC H5' 1 DC C5' -5.57 ? ? . . 0.200 . 2 DG H5' 2 DG C5' -20.71 ? ? . . 0.200 . 4 DG H5' 4 DG C5' -22.05 ? ? . . 0.200 . 5 DA H5' 5 DA C5' -18.57 ? ? . . 0.200 . 6 DA H5' 6 DA C5' -21.86 ? ? . . 0.200 . 7 DT H5' 7 DT C5' -20.23 ? ? . . 0.200 . 9 DC H5' 9 DC C5' -32.09 ? ? . . 0.200 . 10 DG H5' 10 DG C5' -25.94 ? ? . . 0.200 . 12 DG H5' 12 DG C5' -28.56 ? ? . . 0.200 . 2 DG H1 2 DG N1 7.26 ? ? . . 0.200 . 4 DG H1 4 DG N1 12.94 ? ? . . 0.200 . 7 DT H3 7 DT N3 4.72 ? ? . . 0.200 . 8 DT H3 8 DT N3 9.82 ? ? . . 0.200 . 10 DG H1 10 DG N1 7.11 ? ? . . 0.200 . 7 DT C5 7 DT C7 14.82 ? ? . . 0.200 . 8 DT C5 8 DT C7 11.03 ? ? . . 0.200 . 1 DC H1' 1 DC C1' 2.01 ? ? . . 0.200 . 2 DG H1' 2 DG C1' 8.50 ? ? . . 0.200 . 3 DC H1' 3 DC C1' 0.48 ? ? . . 0.200 . 4 DG H1' 4 DG C1' 13.61 ? ? . . 0.200 . 5 DA H1' 5 DA C1' 18.58 ? ? . . 0.200 . 6 DA H1' 6 DA C1' 16.15 ? ? . . 0.200 . 7 DT H1' 7 DT C1' 9.97 ? ? . . 0.200 . 8 DT H1' 8 DT C1' 10.31 ? ? . . 0.200 . 9 DC H1' 9 DC C1' 8.16 ? ? . . 0.200 . 10 DG H1' 10 DG C1' 15.25 ? ? . . 0.200 . 11 DC H1' 11 DC C1' 14.19 ? ? . . 0.200 . 12 DG H1' 12 DG C1' 11.02 ? ? . . 0.200 . 1 DC H2' 1 DC C2' 5.25 ? ? . . 0.200 . 2 DG H2' 2 DG C2' 10.83 ? ? . . 0.200 . 3 DC H2' 3 DC C2' -8.43 ? ? . . 0.200 . 4 DG H2' 4 DG C2' 9.98 ? ? . . 0.200 . 5 DA H2' 5 DA C2' 12.07 ? ? . . 0.200 . 6 DA H2' 6 DA C2' 16.24 ? ? . . 0.200 . 7 DT H2' 7 DT C2' 5.24 ? ? . . 0.200 . 8 DT H2' 8 DT C2' 8.65 ? ? . . 0.200 . 9 DC H2' 9 DC C2' 3.38 ? ? . . 0.200 . 10 DG H2' 10 DG C2' 15.15 ? ? . . 0.200 . 11 DC H2' 11 DC C2' 12.74 ? ? . . 0.200 . 12 DG H2' 12 DG C2' 11.72 ? ? . . 0.200 . 1 DC H3' 1 DC C3' -5.99 ? ? . . 0.200 . 2 DG H3' 2 DG C3' 6.05 ? ? . . 0.200 . 3 DC H3' 3 DC C3' -0.01 ? ? . . 0.200 . 4 DG H3' 4 DG C3' 18.65 ? ? . . 0.200 . 5 DA H3' 5 DA C3' 15.87 ? ? . . 0.200 . 6 DA H3' 6 DA C3' 12.84 ? ? . . 0.200 . 7 DT H3' 7 DT C3' 7.63 ? ? . . 0.200 . 8 DT H3' 8 DT C3' 15.48 ? ? . . 0.200 . 9 DC H3' 9 DC C3' 17.76 ? ? . . 0.200 . 10 DG H3' 10 DG C3' 22.00 ? ? . . 0.200 . 11 DC H3' 11 DC C3' 7.73 ? ? . . 0.200 . 12 DG H3' 12 DG C3' 3.39 ? ? . . 0.200 . 1 DC H4' 1 DC C4' 3.41 ? ? . . 0.200 . 2 DG H4' 2 DG C4' 6.40 ? ? . . 0.200 . 3 DC H4' 3 DC C4' -1.00 ? ? . . 0.200 . 4 DG H4' 4 DG C4' -4.77 ? ? . . 0.200 . 5 DA H4' 5 DA C4' -4.40 ? ? . . 0.200 . 6 DA H4' 6 DA C4' 5.09 ? ? . . 0.200 . 7 DT H4' 7 DT C4' 7.02 ? ? . . 0.200 . 8 DT H4' 8 DT C4' 7.05 ? ? . . 0.200 . 9 DC H4' 9 DC C4' 7.63 ? ? . . 0.200 . 10 DG H4' 10 DG C4' 9.86 ? ? . . 0.200 . 11 DC H4' 11 DC C4' 16.00 ? ? . . 0.200 . 12 DG H4' 12 DG C4' 13.79 ? ? . . 0.200 . 1 DC H5'' 1 DC C5' 1.71 ? ? . . 0.200 . 2 DG H5'' 2 DG C5' 15.03 ? ? . . 0.200 . 3 DC H5'' 3 DC C5' 18.80 ? ? . . 0.200 . 4 DG H5'' 4 DG C5' 16.08 ? ? . . 0.200 . 5 DA H5'' 5 DA C5' 9.09 ? ? . . 0.200 . 6 DA H5'' 6 DA C5' 10.31 ? ? . . 0.200 . 7 DT H5'' 7 DT C5' 17.22 ? ? . . 0.200 . 8 DT H5'' 8 DT C5' 14.09 ? ? . . 0.200 . 9 DC H5'' 9 DC C5' 15.59 ? ? . . 0.200 . 10 DG H5'' 10 DG C5' 9.92 ? ? . . 0.200 . 11 DC H5'' 11 DC C5' 13.95 ? ? . . 0.200 . 12 DG H5'' 12 DG C5' 7.71 ? ? . . 0.200 . 1 DC H1' 1 DC H2' -4.700 ? ? . . 1.000 . 2 DG H1' 2 DG H2' -2.200 ? ? . . 1.000 . 3 DC H1' 3 DC H2' -3.900 ? ? . . 1.000 . 4 DG H1' 4 DG H2' 0.500 ? ? . . 1.000 . 5 DA H1' 5 DA H2' 1.000 ? ? . . 1.000 . 6 DA H1' 6 DA H2' 0.600 ? ? . . 1.000 . 7 DT H1' 7 DT H2' -1.100 ? ? . . 1.000 . 8 DT H1' 8 DT H2' 0.600 ? ? . . 1.000 . 9 DC H1' 9 DC H2' -0.500 ? ? . . 1.000 . 10 DG H1' 10 DG H2' 2.400 ? ? . . 1.000 . 11 DC H1' 11 DC H2' -3.300 ? ? . . 1.000 . 12 DG H1' 12 DG H2' -4.000 ? ? . . 1.000 . 1 DC H1' 1 DC H2'' -9.900 ? ? . . 1.000 . 2 DG H1' 2 DG H2'' -9.600 ? ? . . 1.000 . 3 DC H1' 3 DC H2'' -8.900 ? ? . . 1.000 . 4 DG H1' 4 DG H2'' -4.700 ? ? . . 2.000 . 5 DA H1' 5 DA H2'' -4.900 ? ? . . 2.000 . 6 DA H1' 6 DA H2'' -5.300 ? ? . . 2.000 . 7 DT H1' 7 DT H2'' -5.700 ? ? . . 2.000 . 8 DT H1' 8 DT H2'' -6.400 ? ? . . 2.000 . 9 DC H1' 9 DC H2'' -5.800 ? ? . . 2.000 . 10 DG H1' 10 DG H2'' -5.800 ? ? . . 1.000 . 11 DC H1' 11 DC H2'' -12.300 ? ? . . 1.000 . 12 DG H1' 12 DG H2'' -11.400 ? ? . . 1.000 . 1 DC H2' 1 DC H3' 3.100 ? ? . . 2.000 . 3 DC H2' 3 DC H3' 4.300 ? ? . . 1.000 . 5 DA H2' 5 DA H3' 4.100 ? ? . . 1.000 . 6 DA H2' 6 DA H3' 4.000 ? ? . . 1.000 . 7 DT H2' 7 DT H3' 3.800 ? ? . . 1.000 . 8 DT H2' 8 DT H3' 6.900 ? ? . . 1.000 . 9 DC H2' 9 DC H3' 6.900 ? ? . . 1.000 . 11 DC H2' 11 DC H3' 5.200 ? ? . . 1.000 . 12 DG H2' 12 DG H3' 5.400 ? ? . . 2.000 . 1 DC H2'' 1 DC H3' 2.200 ? ? . . 2.000 . 2 DG H2'' 2 DG H3' 3.700 ? ? . . 1.000 . 3 DC H2'' 3 DC H3' 2.800 ? ? . . 1.000 . 5 DA H2'' 5 DA H3' 0.000 ? ? . . 4.000 . 6 DA H2'' 6 DA H3' 0.000 ? ? . . 4.000 . 7 DT H2'' 7 DT H3' -1.400 ? ? . . 1.000 . 8 DT H2'' 8 DT H3' 0.000 ? ? . . 4.000 . 9 DC H2'' 9 DC H3' 2.400 ? ? . . 1.000 . 11 DC H2'' 11 DC H3' 4.000 ? ? . . 1.000 . 12 DG H2'' 12 DG H3' 2.100 ? ? . . 2.000 . 1 DC H2' 1 DC H2'' 9.000 ? ? . . 1.000 . 3 DC H2' 3 DC H2'' 7.200 ? ? . . 1.000 . 5 DA H2' 5 DA H2'' 13.200 ? ? . . 2.000 . 6 DA H2' 6 DA H2'' 14.500 ? ? . . 2.000 . 7 DT H2' 7 DT H2'' 14.400 ? ? . . 2.000 . 8 DT H2' 8 DT H2'' 5.900 ? ? . . 1.000 . 9 DC H2' 9 DC H2'' -1.800 ? ? . . 1.000 . 11 DC H2' 11 DC H2'' 9.100 ? ? . . 1.000 . 12 DG H2' 12 DG H2'' 8.500 ? ? . . 1.000 . 1 DC H5 1 DC H6 7.000 ? ? . . 1.000 . 3 DC H5 3 DC H6 6.400 ? ? . . 1.000 . 9 DC H5 9 DC H6 7.200 ? ? . . 2.000 . 11 DC H5 11 DC H6 4.600 ? ? . . 1.000 . 1 DC H1' 2 DG H5' 1.900 ? ? . . 1.000 . 3 DC H1' 4 DG H5' 2.200 ? ? . . 1.000 . 4 DG H1' 5 DA H5' 3.200 ? ? . . 1.000 . 5 DA H1' 6 DA H5' 3.500 ? ? . . 1.000 . 6 DA H1' 7 DT H5' 4.600 ? ? . . 1.000 . 8 DT H1' 9 DC H5' 1.500 ? ? . . 1.000 . 9 DC H1' 10 DG H5' 0.000 ? ? . . 2.000 . 10 DG H1' 11 DC H5' 0.000 ? ? . . 2.000 . 11 DC H1' 12 DG H5' 0.000 ? ? . . 2.000 . 1 DC H1' 1 DC H4' 1.800 ? ? . . 1.000 . 2 DG H1' 2 DG H4' 0.000 ? ? . . 2.000 . 3 DC H1' 3 DC H4' 2.600 ? ? . . 1.000 . 4 DG H1' 4 DG H4' 0.000 ? ? . . 2.000 . 5 DA H1' 5 DA H4' 0.000 ? ? . . 2.000 . 6 DA H1' 6 DA H4' 0.000 ? ? . . 2.000 . 7 DT H1' 7 DT H4' 0.000 ? ? . . 2.000 . 8 DT H1' 8 DT H4' 0.000 ? ? . . 2.000 . 9 DC H1' 9 DC H4' 2.100 ? ? . . 1.000 . 10 DG H1' 10 DG H4' 1.700 ? ? . . 1.000 . 11 DC H1' 11 DC H4' 3.400 ? ? . . 1.000 . 12 DG H1' 12 DG H4' 2.500 ? ? . . 1.000 . 1 DC H1' 1 DC H6 2.200 ? ? . . 1.000 . 2 DG H1' 2 DG H8 1.500 ? ? . . 1.000 . 3 DC H1' 3 DC H6 0.000 ? ? . . 2.000 . 4 DG H1' 4 DG H8 0.000 ? ? . . 2.000 . 6 DA H1' 6 DA H8 2.000 ? ? . . 1.000 . 7 DT H1' 7 DT H6 2.400 ? ? . . 1.000 . 8 DT H1' 8 DT H6 2.200 ? ? . . 1.000 . 10 DG H1' 10 DG H8 1.900 ? ? . . 1.000 . 11 DC H1' 11 DC H6 2.000 ? ? . . 1.000 . 12 DG H1' 12 DG H8 1.500 ? ? . . 1.000 . 2 DG H4' 2 DG H3' -7.900 ? ? . . 1.000 . 3 DC H4' 3 DC H3' -4.400 ? ? . . 2.000 . 4 DG H4' 4 DG H3' -6.100 ? ? . . 1.000 . 5 DA H4' 5 DA H3' -6.500 ? ? . . 1.000 . 6 DA H4' 6 DA H3' -3.000 ? ? . . 2.000 . 7 DT H4' 7 DT H3' -4.500 ? ? . . 2.000 . 8 DT H4' 8 DT H3' -3.200 ? ? . . 2.000 . 9 DC H4' 9 DC H3' -3.800 ? ? . . 2.000 . 10 DG H4' 10 DG H3' -2.000 ? ? . . 2.000 . 11 DC H4' 11 DC H3' -4.400 ? ? . . 2.000 . 5 DA H2 6 DA H2 -2.900 ? ? . . 1.000 . 2 DG H1' 3 DC H5 -2.500 ? ? . . 1.000 . 2 DG H8 3 DC H5 -1.800 ? ? . . 1.000 . 8 DT H1' 9 DC H5 0.000 ? ? . . 2.000 . 8 DT H6 9 DC H5 -4.500 ? ? . . 1.000 . 10 DG H1' 11 DC H5 0.000 ? ? . . 2.000 . 10 DG H8 11 DC H5 -2.800 ? ? . . 1.000 . 6 DA H2' 7 DT H7 -5.680 ? ? . . 20.000 . 7 DT H2' 8 DT H7 -5.430 ? ? . . 20.000 . 7 DT H6 7 DT H7 3.590 ? ? . . 20.000 . 8 DT H6 8 DT H7 4.280 ? ? . . 20.000 . 6 DA H8 7 DT H7 -6.180 ? ? . . 20.000 . 7 DT H6 8 DT H7 -6.870 ? ? . . 20.000 . 1 DC H1' 2 DG H8 -2.500 ? ? . . 1.000 . 2 DG H1' 3 DC H6 -5.200 ? ? . . 1.000 . 3 DC H1' 4 DG H8 -2.500 ? ? . . 1.000 . 4 DG H1' 5 DA H8 -5.000 ? ? . . 1.000 . 5 DA H1' 6 DA H8 -5.700 ? ? . . 1.000 . 6 DA H1' 7 DT H6 -4.900 ? ? . . 1.000 . 7 DT H1' 8 DT H6 -3.200 ? ? . . 1.000 . 8 DT H1' 9 DC H6 -3.900 ? ? . . 1.000 . 9 DC H1' 10 DG H8 -3.500 ? ? . . 1.000 . 10 DG H1' 11 DC H6 -4.800 ? ? . . 1.000 . 11 DC H1' 12 DG H8 -2.100 ? ? . . 1.000 . 2 DG H5'' 2 DG H3' -7.600 ? ? . . 1.000 . 4 DG H5'' 4 DG H3' -9.300 ? ? . . 1.000 . 5 DA H5'' 5 DA H3' -8.700 ? ? . . 1.000 . 6 DA H5'' 6 DA H3' -8.400 ? ? . . 1.000 . 8 DT H5'' 8 DT H3' -10.200 ? ? . . 1.000 . 10 DG H5'' 10 DG H3' -9.500 ? ? . . 1.000 . 2 DG H5' 2 DG H3' -3.400 ? ? . . 1.000 . 4 DG H5' 4 DG H3' -3.100 ? ? . . 1.000 . 5 DA H5' 5 DA H3' -1.900 ? ? . . 1.000 . 6 DA H5' 6 DA H3' -4.400 ? ? . . 1.000 . 8 DT H5' 8 DT H3' -3.600 ? ? . . 1.000 . 10 DG H5' 10 DG H3' -2.200 ? ? . . 1.000 . 1 DC H6 1 DC H2' 2.700 ? ? . . 1.000 . 2 DG H8 2 DG H2' 7.500 ? ? . . 1.000 . 3 DC H6 3 DC H2' 7.300 ? ? . . 1.000 . 4 DG H8 4 DG H2' 8.900 ? ? . . 1.000 . 5 DA H8 5 DA H2' 7.900 ? ? . . 1.000 . 6 DA H8 6 DA H2' 7.600 ? ? . . 1.000 . 7 DT H6 7 DT H2' 3.900 ? ? . . 1.000 . 8 DT H6 8 DT H2' 2.600 ? ? . . 1.000 . 9 DC H6 9 DC H2' 0.000 ? ? . . 2.000 . 10 DG H8 10 DG H2' 0.000 ? ? . . 2.000 . 11 DC H6 11 DC H2' -3.200 ? ? . . 1.000 . 12 DG H8 12 DG H2' -3.300 ? ? . . 1.000 . 1 DC H6 1 DC H2'' 1.700 ? ? . . 1.000 . 2 DG H8 2 DG H2'' 2.300 ? ? . . 1.000 . 3 DC H6 3 DC H2'' 1.800 ? ? . . 1.000 . 4 DG H8 4 DG H2'' 2.700 ? ? . . 1.000 . 9 DC H6 9 DC H2'' 0.000 ? ? . . 2.000 . 10 DG H8 10 DG H2'' 0.000 ? ? . . 2.000 . 11 DC H6 11 DC H2'' 0.000 ? ? . . 2.000 . 12 DG H8 12 DG H2'' 0.000 ? ? . . 2.000 . 1 DC H2' 2 DG H8 -3.400 ? ? . . 1.000 . 2 DG H2' 3 DC H6 0.000 ? ? . . 2.000 . 3 DC H2' 4 DG H8 -3.800 ? ? . . 1.000 . 6 DA H2' 7 DT H6 -3.600 ? ? . . 1.000 . 7 DT H2' 8 DT H6 -5.100 ? ? . . 1.000 . 8 DT H2' 9 DC H6 -5.100 ? ? . . 1.000 . 9 DC H2' 10 DG H8 -5.700 ? ? . . 1.000 . 10 DG H2' 11 DC H6 0.000 ? ? . . 2.000 . 11 DC H2' 12 DG H8 -3.500 ? ? . . 1.000 . 1 DC H2'' 2 DG H8 -3.600 ? ? . . 1.000 . 2 DG H2'' 3 DC H6 0.000 ? ? . . 2.000 . 3 DC H2'' 4 DG H8 -4.900 ? ? . . 1.000 . 4 DG H2'' 5 DA H8 1.800 ? ? . . 1.000 . 5 DA H2'' 6 DA H8 -6.700 ? ? . . 1.000 . 6 DA H2'' 7 DT H6 -8.200 ? ? . . 1.000 . 7 DT H2'' 8 DT H6 -10.900 ? ? . . 1.000 . 8 DT H2'' 9 DC H6 -9.000 ? ? . . 1.000 . 9 DC H2'' 10 DG H8 -5.600 ? ? . . 1.000 . 10 DG H2'' 11 DC H6 0.000 ? ? . . 2.000 . 11 DC H2'' 12 DG H8 -2.700 ? ? . . 1.000 . 1 DC H3' 2 DG P 1.280 ? ? . . 0.080 . 2 DG H3' 3 DC P 1.490 ? ? . . 0.080 . 3 DC H3' 4 DG P 1.940 ? ? . . 0.110 . 4 DG H3' 5 DA P 1.590 ? ? . . 0.090 . 5 DA H3' 6 DA P 1.580 ? ? . . 0.110 . 6 DA H3' 7 DT P 1.140 ? ? . . 0.130 . 7 DT H3' 8 DT P 0.890 ? ? . . 0.140 . 8 DT H3' 9 DC P 0.310 ? ? . . 0.130 . 9 DC H3' 10 DG P -0.330 ? ? . . 0.120 . 10 DG H3' 11 DC P -0.280 ? ? . . 0.090 . 11 DC H3' 12 DG P 0.250 ? ? . . 0.090 . 1 DC H6 1 DC C6 9.99 ? ? . . 0.200 . 1 DC H5 1 DC C5 18.00 ? ? . . 0.200 . 2 DG H8 2 DG C8 18.13 ? ? . . 0.200 . 5 DA H2 5 DA C2 27.06 ? ? . . 0.200 . 5 DA H8 5 DA C8 27.07 ? ? . . 0.200 . 7 DT H6 7 DT C6 22.53 ? ? . . 0.200 . 9 DC H6 9 DC C6 26.83 ? ? . . 0.200 . 9 DC H5 9 DC C5 19.03 ? ? . . 0.200 . 10 DG H8 10 DG C8 24.06 ? ? . . 0.200 . 1 DC H1' 1 DC C1' 0.56 ? ? . . 0.200 . 2 DG H1' 2 DG C1' 20.25 ? ? . . 0.200 . 5 DA H1' 5 DA C1' 21.90 ? ? . . 0.200 . 7 DT H1' 7 DT C1' 19.17 ? ? . . 0.200 . 9 DC H1' 9 DC C1' 13.74 ? ? . . 0.200 . 10 DG H1' 10 DG C1' 16.16 ? ? . . 0.200 . 1 DC H3' 1 DC C3' -7.65 ? ? . . 0.200 . 2 DG H3' 2 DG C3' 4.13 ? ? . . 0.200 . 5 DA H3' 5 DA C3' 19.57 ? ? . . 0.200 . 7 DT H3' 7 DT C3' 17.65 ? ? . . 0.200 . 9 DC H3' 9 DC C3' 22.20 ? ? . . 0.200 . 10 DG H3' 10 DG C3' 23.65 ? ? . . 0.200 . 1 DC H4' 1 DC C4' 3.62 ? ? . . 0.200 . 2 DG H4' 2 DG C4' 2.34 ? ? . . 0.200 . 5 DA H4' 5 DA C4' -7.62 ? ? . . 0.200 . 7 DT H4' 7 DT C4' 11.46 ? ? . . 0.200 . 9 DC H4' 9 DC C4' 19.26 ? ? . . 0.200 . 10 DG H4' 10 DG C4' 22.83 ? ? . . 0.200 . 2 DG H1 2 DG N1 8.32 ? ? . . 0.200 . 7 DT H3 7 DT N3 9.90 ? ? . . 0.200 . 10 DG H1 10 DG N1 10.01 ? ? . . 0.200 stop_ save_ save_residual_dipolar_couplings_2 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 $sample_2 stop_ _Details . _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 800 _Text_data_format . _Text_data . loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error . 1 DC H6 1 DC C6 5.24 ? ? . . 0.200 . 1 DC H5 1 DC C5 14.53 ? ? . . 0.200 . 2 DG H8 2 DG C8 6.95 ? ? . . 0.200 . 3 DC H6 3 DC C6 17.95 ? ? . . 0.200 . 3 DC H5 3 DC C5 4.26 ? ? . . 0.200 . 4 DG H8 4 DG C8 24.20 ? ? . . 0.200 . 5 DA H2 5 DA C2 21.36 ? ? . . 0.200 . 5 DA H8 5 DA C8 22.31 ? ? . . 0.200 . 6 DA H2 6 DA C2 22.99 ? ? . . 0.200 . 6 DA H8 6 DA C8 17.73 ? ? . . 0.200 . 7 DT H6 7 DT C6 10.68 ? ? . . 0.200 . 8 DT H6 8 DT C6 23.52 ? ? . . 0.200 . 9 DC H6 9 DC C6 23.52 ? ? . . 0.200 . 9 DC H5 9 DC C5 8.73 ? ? . . 0.200 . 10 DG H8 10 DG C8 19.93 ? ? . . 0.200 . 11 DC H6 11 DC C6 10.86 ? ? . . 0.200 . 11 DC H5 11 DC C5 24.20 ? ? . . 0.200 . 12 DG H8 12 DG C8 2.42 ? ? . . 0.200 . 1 DC H2'' 1 DC C2' 1.03 ? ? . . 0.200 . 2 DG H2'' 2 DG C2' -17.53 ? ? . . 0.200 . 3 DC H2'' 3 DC C2' -8.42 ? ? . . 0.200 . 4 DG H2'' 4 DG C2' -24.41 ? ? . . 0.200 . 5 DA H2'' 5 DA C2' -14.19 ? ? . . 0.200 . 6 DA H2'' 6 DA C2' -16.15 ? ? . . 0.200 . 9 DC H2'' 9 DC C2' -18.20 ? ? . . 0.200 . 10 DG H2'' 10 DG C2' -23.86 ? ? . . 0.200 . 11 DC H2'' 11 DC C2' -1.17 ? ? . . 0.200 . 12 DG H2'' 12 DG C2' -4.84 ? ? . . 0.200 . 1 DC H5' 1 DC C5' -5.57 ? ? . . 0.200 . 2 DG H5' 2 DG C5' -20.71 ? ? . . 0.200 . 4 DG H5' 4 DG C5' -22.05 ? ? . . 0.200 . 5 DA H5' 5 DA C5' -18.57 ? ? . . 0.200 . 6 DA H5' 6 DA C5' -21.86 ? ? . . 0.200 . 7 DT H5' 7 DT C5' -20.23 ? ? . . 0.200 . 9 DC H5' 9 DC C5' -32.09 ? ? . . 0.200 . 10 DG H5' 10 DG C5' -25.94 ? ? . . 0.200 . 12 DG H5' 12 DG C5' -28.56 ? ? . . 0.200 . 2 DG H1 2 DG N1 7.26 ? ? . . 0.200 . 4 DG H1 4 DG N1 12.94 ? ? . . 0.200 . 7 DT H3 7 DT N3 4.72 ? ? . . 0.200 . 8 DT H3 8 DT N3 9.82 ? ? . . 0.200 . 10 DG H1 10 DG N1 7.11 ? ? . . 0.200 . 7 DT C5 7 DT CM 14.82 ? ? . . 0.200 . 8 DT C5 8 DT CM 11.03 ? ? . . 0.200 . 1 DC H1' 1 DC C1' 2.01 ? ? . . 0.200 . 2 DG H1' 2 DG C1' 8.50 ? ? . . 0.200 . 3 DC H1' 3 DC C1' 0.48 ? ? . . 0.200 . 4 DG H1' 4 DG C1' 13.61 ? ? . . 0.200 . 5 DA H1' 5 DA C1' 18.58 ? ? . . 0.200 . 6 DA H1' 6 DA C1' 16.15 ? ? . . 0.200 . 7 DT H1' 7 DT C1' 9.97 ? ? . . 0.200 . 8 DT H1' 8 DT C1' 10.31 ? ? . . 0.200 . 9 DC H1' 9 DC C1' 8.16 ? ? . . 0.200 . 10 DG H1' 10 DG C1' 15.25 ? ? . . 0.200 . 11 DC H1' 11 DC C1' 14.19 ? ? . . 0.200 . 12 DG H1' 12 DG C1' 11.02 ? ? . . 0.200 . 1 DC H2' 1 DC C2' 5.25 ? ? . . 0.200 . 2 DG H2' 2 DG C2' 10.83 ? ? . . 0.200 . 3 DC H2' 3 DC C2' -8.43 ? ? . . 0.200 . 4 DG H2' 4 DG C2' 9.98 ? ? . . 0.200 . 5 DA H2' 5 DA C2' 12.07 ? ? . . 0.200 . 6 DA H2' 6 DA C2' 16.24 ? ? . . 0.200 . 7 DT H2' 7 DT C2' 5.24 ? ? . . 0.200 . 8 DT H2' 8 DT C2' 8.65 ? ? . . 0.200 . 9 DC H2' 9 DC C2' 3.38 ? ? . . 0.200 . 10 DG H2' 10 DG C2' 15.15 ? ? . . 0.200 . 11 DC H2' 11 DC C2' 12.74 ? ? . . 0.200 . 12 DG H2' 12 DG C2' 11.72 ? ? . . 0.200 . 1 DC H3' 1 DC C3' -5.99 ? ? . . 0.200 . 2 DG H3' 2 DG C3' 6.05 ? ? . . 0.200 . 3 DC H3' 3 DC C3' -0.01 ? ? . . 0.200 . 4 DG H3' 4 DG C3' 18.65 ? ? . . 0.200 . 5 DA H3' 5 DA C3' 15.87 ? ? . . 0.200 . 6 DA H3' 6 DA C3' 12.84 ? ? . . 0.200 . 7 DT H3' 7 DT C3' 7.63 ? ? . . 0.200 . 8 DT H3' 8 DT C3' 15.48 ? ? . . 0.200 . 9 DC H3' 9 DC C3' 17.76 ? ? . . 0.200 . 10 DG H3' 10 DG C3' 22.00 ? ? . . 0.200 . 11 DC H3' 11 DC C3' 7.73 ? ? . . 0.200 . 12 DG H3' 12 DG C3' 3.39 ? ? . . 0.200 . 1 DC H4' 1 DC C4' 3.41 ? ? . . 0.200 . 2 DG H4' 2 DG C4' 6.40 ? ? . . 0.200 . 3 DC H4' 3 DC C4' -1.00 ? ? . . 0.200 . 4 DG H4' 4 DG C4' -4.77 ? ? . . 0.200 . 5 DA H4' 5 DA C4' -4.40 ? ? . . 0.200 . 6 DA H4' 6 DA C4' 5.09 ? ? . . 0.200 . 7 DT H4' 7 DT C4' 7.02 ? ? . . 0.200 . 8 DT H4' 8 DT C4' 7.05 ? ? . . 0.200 . 9 DC H4' 9 DC C4' 7.63 ? ? . . 0.200 . 10 DG H4' 10 DG C4' 9.86 ? ? . . 0.200 . 11 DC H4' 11 DC C4' 16.00 ? ? . . 0.200 . 12 DG H4' 12 DG C4' 13.79 ? ? . . 0.200 . 1 DC H5'' 1 DC C5' 1.71 ? ? . . 0.200 . 2 DG H5'' 2 DG C5' 15.03 ? ? . . 0.200 . 3 DC H5'' 3 DC C5' 18.80 ? ? . . 0.200 . 4 DG H5'' 4 DG C5' 16.08 ? ? . . 0.200 . 5 DA H5'' 5 DA C5' 9.09 ? ? . . 0.200 . 6 DA H5'' 6 DA C5' 10.31 ? ? . . 0.200 . 7 DT H5'' 7 DT C5' 17.22 ? ? . . 0.200 . 8 DT H5'' 8 DT C5' 14.09 ? ? . . 0.200 . 9 DC H5'' 9 DC C5' 15.59 ? ? . . 0.200 . 10 DG H5'' 10 DG C5' 9.92 ? ? . . 0.200 . 11 DC H5'' 11 DC C5' 13.95 ? ? . . 0.200 . 12 DG H5'' 12 DG C5' 7.71 ? ? . . 0.200 . 1 DC H1' 1 DC H2' -4.700 ? ? . . 1.000 . 2 DG H1' 2 DG H2' -2.200 ? ? . . 1.000 . 3 DC H1' 3 DC H2' -3.900 ? ? . . 1.000 . 4 DG H1' 4 DG H2' 0.500 ? ? . . 1.000 . 5 DA H1' 5 DA H2' 1.000 ? ? . . 1.000 . 6 DA H1' 6 DA H2' 0.600 ? ? . . 1.000 . 7 DT H1' 7 DT H2' -1.100 ? ? . . 1.000 . 8 DT H1' 8 DT H2' 0.600 ? ? . . 1.000 . 9 DC H1' 9 DC H2' -0.500 ? ? . . 1.000 . 10 DG H1' 10 DG H2' 2.400 ? ? . . 1.000 . 11 DC H1' 11 DC H2' -3.300 ? ? . . 1.000 . 12 DG H1' 12 DG H2' -4.000 ? ? . . 1.000 . 1 DC H1' 1 DC H2'' -9.900 ? ? . . 1.000 . 2 DG H1' 2 DG H2'' -9.600 ? ? . . 1.000 . 3 DC H1' 3 DC H2'' -8.900 ? ? . . 1.000 . 4 DG H1' 4 DG H2'' -4.700 ? ? . . 2.000 . 5 DA H1' 5 DA H2'' -4.900 ? ? . . 2.000 . 6 DA H1' 6 DA H2'' -5.300 ? ? . . 2.000 . 7 DT H1' 7 DT H2'' -5.700 ? ? . . 2.000 . 8 DT H1' 8 DT H2'' -6.400 ? ? . . 2.000 . 9 DC H1' 9 DC H2'' -5.800 ? ? . . 2.000 . 10 DG H1' 10 DG H2'' -5.800 ? ? . . 1.000 . 11 DC H1' 11 DC H2'' -12.300 ? ? . . 1.000 . 12 DG H1' 12 DG H2'' -11.400 ? ? . . 1.000 . 1 DC H2' 1 DC H3' 3.100 ? ? . . 2.000 . 3 DC H2' 3 DC H3' 4.300 ? ? . . 1.000 . 5 DA H2' 5 DA H3' 4.100 ? ? . . 1.000 . 6 DA H2' 6 DA H3' 4.000 ? ? . . 1.000 . 7 DT H2' 7 DT H3' 3.800 ? ? . . 1.000 . 8 DT H2' 8 DT H3' 6.900 ? ? . . 1.000 . 9 DC H2' 9 DC H3' 6.900 ? ? . . 1.000 . 11 DC H2' 11 DC H3' 5.200 ? ? . . 1.000 . 12 DG H2' 12 DG H3' 5.400 ? ? . . 2.000 . 1 DC H2'' 1 DC H3' 2.200 ? ? . . 2.000 . 2 DG H2'' 2 DG H3' 3.700 ? ? . . 1.000 . 3 DC H2'' 3 DC H3' 2.800 ? ? . . 1.000 . 5 DA H2'' 5 DA H3' 0.000 ? ? . . 4.000 . 6 DA H2'' 6 DA H3' 0.000 ? ? . . 4.000 . 7 DT H2'' 7 DT H3' -1.400 ? ? . . 1.000 . 8 DT H2'' 8 DT H3' 0.000 ? ? . . 4.000 . 9 DC H2'' 9 DC H3' 2.400 ? ? . . 1.000 . 11 DC H2'' 11 DC H3' 4.000 ? ? . . 1.000 . 12 DG H2'' 12 DG H3' 2.100 ? ? . . 2.000 . 1 DC H2' 1 DC H2'' 9.000 ? ? . . 1.000 . 3 DC H2' 3 DC H2'' 7.200 ? ? . . 1.000 . 5 DA H2' 5 DA H2'' 13.200 ? ? . . 2.000 . 6 DA H2' 6 DA H2'' 14.500 ? ? . . 2.000 . 7 DT H2' 7 DT H2'' 14.400 ? ? . . 2.000 . 8 DT H2' 8 DT H2'' 5.900 ? ? . . 1.000 . 9 DC H2' 9 DC H2'' -1.800 ? ? . . 1.000 . 11 DC H2' 11 DC H2'' 9.100 ? ? . . 1.000 . 12 DG H2' 12 DG H2'' 8.500 ? ? . . 1.000 . 1 DC H5 1 DC H6 7.000 ? ? . . 1.000 . 3 DC H5 3 DC H6 6.400 ? ? . . 1.000 . 9 DC H5 9 DC H6 7.200 ? ? . . 2.000 . 11 DC H5 11 DC H6 4.600 ? ? . . 1.000 . 1 DC H1' 2 DG H5' 1.900 ? ? . . 1.000 . 3 DC H1' 4 DG H5' 2.200 ? ? . . 1.000 . 4 DG H1' 5 DA H5' 3.200 ? ? . . 1.000 . 5 DA H1' 6 DA H5' 3.500 ? ? . . 1.000 . 6 DA H1' 7 DT H5' 4.600 ? ? . . 1.000 . 8 DT H1' 9 DC H5' 1.500 ? ? . . 1.000 . 9 DC H1' 10 DG H5' 0.000 ? ? . . 2.000 . 10 DG H1' 11 DC H5' 0.000 ? ? . . 2.000 . 11 DC H1' 12 DG H5' 0.000 ? ? . . 2.000 . 1 DC H1' 1 DC H4' 1.800 ? ? . . 1.000 . 2 DG H1' 2 DG H4' 0.000 ? ? . . 2.000 . 3 DC H1' 3 DC H4' 2.600 ? ? . . 1.000 . 4 DG H1' 4 DG H4' 0.000 ? ? . . 2.000 . 5 DA H1' 5 DA H4' 0.000 ? ? . . 2.000 . 6 DA H1' 6 DA H4' 0.000 ? ? . . 2.000 . 7 DT H1' 7 DT H4' 0.000 ? ? . . 2.000 . 8 DT H1' 8 DT H4' 0.000 ? ? . . 2.000 . 9 DC H1' 9 DC H4' 2.100 ? ? . . 1.000 . 10 DG H1' 10 DG H4' 1.700 ? ? . . 1.000 . 11 DC H1' 11 DC H4' 3.400 ? ? . . 1.000 . 12 DG H1' 12 DG H4' 2.500 ? ? . . 1.000 . 1 DC H1' 1 DC H6 2.200 ? ? . . 1.000 . 2 DG H1' 2 DG H8 1.500 ? ? . . 1.000 . 3 DC H1' 3 DC H6 0.000 ? ? . . 2.000 . 4 DG H1' 4 DG H8 0.000 ? ? . . 2.000 . 6 DA H1' 6 DA H8 2.000 ? ? . . 1.000 . 7 DT H1' 7 DT H6 2.400 ? ? . . 1.000 . 8 DT H1' 8 DT H6 2.200 ? ? . . 1.000 . 10 DG H1' 10 DG H8 1.900 ? ? . . 1.000 . 11 DC H1' 11 DC H6 2.000 ? ? . . 1.000 . 12 DG H1' 12 DG H8 1.500 ? ? . . 1.000 . 2 DG H4' 2 DG H3' -7.900 ? ? . . 1.000 . 3 DC H4' 3 DC H3' -4.400 ? ? . . 2.000 . 4 DG H4' 4 DG H3' -6.100 ? ? . . 1.000 . 5 DA H4' 5 DA H3' -6.500 ? ? . . 1.000 . 6 DA H4' 6 DA H3' -3.000 ? ? . . 2.000 . 7 DT H4' 7 DT H3' -4.500 ? ? . . 2.000 . 8 DT H4' 8 DT H3' -3.200 ? ? . . 2.000 . 9 DC H4' 9 DC H3' -3.800 ? ? . . 2.000 . 10 DG H4' 10 DG H3' -2.000 ? ? . . 2.000 . 11 DC H4' 11 DC H3' -4.400 ? ? . . 2.000 . 5 DA H2 6 DA H2 -2.900 ? ? . . 1.000 . 2 DG H1' 2 DG H5 -2.500 ? ? . . 1.000 . 2 DG H8 2 DG H5 -1.800 ? ? . . 1.000 . 8 DT H1' 8 DT H5 0.000 ? ? . . 2.000 . 8 DT H6 8 DT H5 -4.500 ? ? . . 1.000 . 10 DG H1' 10 DG H5 0.000 ? ? . . 2.000 . 10 DG H8 10 DG H5 -2.800 ? ? . . 1.000 . 6 DA H2' 7 DT H7 -5.680 ? ? . . 20.000 . 7 DT H2' 8 DT H7 -5.430 ? ? . . 20.000 . 7 DT H6 7 DT H7 3.590 ? ? . . 20.000 . 8 DT H6 8 DT H7 4.280 ? ? . . 20.000 . 6 DA H8 7 DT H7 -6.180 ? ? . . 20.000 . 7 DT H6 8 DT H7 -6.870 ? ? . . 20.000 . 1 DC H1' 2 DG H8 -2.500 ? ? . . 1.000 . 2 DG H1' 3 DC H6 -5.200 ? ? . . 1.000 . 3 DC H1' 4 DG H8 -2.500 ? ? . . 1.000 . 4 DG H1' 5 DA H8 -5.000 ? ? . . 1.000 . 5 DA H1' 6 DA H8 -5.700 ? ? . . 1.000 . 6 DA H1' 7 DT H6 -4.900 ? ? . . 1.000 . 7 DT H1' 8 DT H6 -3.200 ? ? . . 1.000 . 8 DT H1' 9 DC H6 -3.900 ? ? . . 1.000 . 9 DC H1' 10 DG H8 -3.500 ? ? . . 1.000 . 10 DG H1' 11 DC H6 -4.800 ? ? . . 1.000 . 11 DC H1' 12 DG H8 -2.100 ? ? . . 1.000 . 2 DG H5'' 2 DG H3' -7.600 ? ? . . 1.000 . 4 DG H5'' 4 DG H3' -9.300 ? ? . . 1.000 . 5 DA H5'' 5 DA H3' -8.700 ? ? . . 1.000 . 6 DA H5'' 6 DA H3' -8.400 ? ? . . 1.000 . 8 DT H5'' 8 DT H3' -10.200 ? ? . . 1.000 . 10 DG H5'' 10 DG H3' -9.500 ? ? . . 1.000 . 2 DG H5' 2 DG H3' -3.400 ? ? . . 1.000 . 4 DG H5' 4 DG H3' -3.100 ? ? . . 1.000 . 5 DA H5' 5 DA H3' -1.900 ? ? . . 1.000 . 6 DA H5' 6 DA H3' -4.400 ? ? . . 1.000 . 8 DT H5' 8 DT H3' -3.600 ? ? . . 1.000 . 10 DG H5' 10 DG H3' -2.200 ? ? . . 1.000 . 1 DC H6 1 DC H2' 2.700 ? ? . . 1.000 . 2 DG H8 2 DG H2' 7.500 ? ? . . 1.000 . 3 DC H6 3 DC H2' 7.300 ? ? . . 1.000 . 4 DG H8 4 DG H2' 8.900 ? ? . . 1.000 . 5 DA H8 5 DA H2' 7.900 ? ? . . 1.000 . 6 DA H8 6 DA H2' 7.600 ? ? . . 1.000 . 7 DT H6 7 DT H2' 3.900 ? ? . . 1.000 . 8 DT H6 8 DT H2' 2.600 ? ? . . 1.000 . 9 DC H6 9 DC H2' 0.000 ? ? . . 2.000 . 10 DG H8 10 DG H2' 0.000 ? ? . . 2.000 . 11 DC H6 11 DC H2' -3.200 ? ? . . 1.000 . 12 DG H8 12 DG H2' -3.300 ? ? . . 1.000 . 1 DC H6 1 DC H2'' 1.700 ? ? . . 1.000 . 2 DG H8 2 DG H2'' 2.300 ? ? . . 1.000 . 3 DC H6 3 DC H2'' 1.800 ? ? . . 1.000 . 4 DG H8 4 DG H2'' 2.700 ? ? . . 1.000 . 9 DC H6 9 DC H2'' 0.000 ? ? . . 2.000 . 10 DG H8 10 DG H2'' 0.000 ? ? . . 2.000 . 11 DC H6 11 DC H2'' 0.000 ? ? . . 2.000 . 12 DG H8 12 DG H2'' 0.000 ? ? . . 2.000 . 1 DC H2' 2 DG H8 -3.400 ? ? . . 1.000 . 2 DG H2' 3 DC H6 0.000 ? ? . . 2.000 . 3 DC H2' 4 DG H8 -3.800 ? ? . . 1.000 . 6 DA H2' 7 DT H6 -3.600 ? ? . . 1.000 . 7 DT H2' 8 DT H6 -5.100 ? ? . . 1.000 . 8 DT H2' 9 DC H6 -5.100 ? ? . . 1.000 . 9 DC H2' 10 DG H8 -5.700 ? ? . . 1.000 . 10 DG H2' 11 DC H6 0.000 ? ? . . 2.000 . 11 DC H2' 12 DG H8 -3.500 ? ? . . 1.000 . 1 DC H2'' 2 DG H8 -3.600 ? ? . . 1.000 . 2 DG H2'' 3 DC H6 0.000 ? ? . . 2.000 . 3 DC H2'' 4 DG H8 -4.900 ? ? . . 1.000 . 4 DG H2'' 5 DA H8 1.800 ? ? . . 1.000 . 5 DA H2'' 6 DA H8 -6.700 ? ? . . 1.000 . 6 DA H2'' 7 DT H6 -8.200 ? ? . . 1.000 . 7 DT H2'' 8 DT H6 -10.900 ? ? . . 1.000 . 8 DT H2'' 9 DC H6 -9.000 ? ? . . 1.000 . 9 DC H2'' 10 DG H8 -5.600 ? ? . . 1.000 . 10 DG H2'' 11 DC H6 0.000 ? ? . . 2.000 . 11 DC H2'' 12 DG H8 -2.700 ? ? . . 1.000 . 1 DC H3' 2 DG P 1.280 ? ? . . 0.080 . 2 DG H3' 3 DC P 1.490 ? ? . . 0.080 . 3 DC H3' 4 DG P 1.940 ? ? . . 0.110 . 4 DG H3' 5 DA P 1.590 ? ? . . 0.090 . 5 DA H3' 6 DA P 1.580 ? ? . . 0.110 . 6 DA H3' 7 DT P 1.140 ? ? . . 0.130 . 7 DT H3' 8 DT P 0.890 ? ? . . 0.140 . 8 DT H3' 9 DC P 0.310 ? ? . . 0.130 . 9 DC H3' 10 DG P -0.330 ? ? . . 0.120 . 10 DG H3' 11 DC P -0.280 ? ? . . 0.090 . 11 DC H3' 12 DG P 0.250 ? ? . . 0.090 . 1 DC H6 1 DC C6 9.99 ? ? . . 0.200 . 1 DC H5 1 DC C5 18.00 ? ? . . 0.200 . 2 DG H8 2 DG C8 18.13 ? ? . . 0.200 . 5 DA H2 5 DA C2 27.06 ? ? . . 0.200 . 5 DA H8 5 DA C8 27.07 ? ? . . 0.200 . 7 DT H6 7 DT C6 22.53 ? ? . . 0.200 . 9 DC H6 9 DC C6 26.83 ? ? . . 0.200 . 9 DC H5 9 DC C5 19.03 ? ? . . 0.200 . 10 DG H8 10 DG C8 24.06 ? ? . . 0.200 . 1 DC H1' 1 DC C1' 0.56 ? ? . . 0.200 . 2 DG H1' 2 DG C1' 20.25 ? ? . . 0.200 . 5 DA H1' 5 DA C1' 21.90 ? ? . . 0.200 . 7 DT H1' 7 DT C1' 19.17 ? ? . . 0.200 . 9 DC H1' 9 DC C1' 13.74 ? ? . . 0.200 . 10 DG H1' 10 DG C1' 16.16 ? ? . . 0.200 . 1 DC H3' 1 DC C3' -7.65 ? ? . . 0.200 . 2 DG H3' 2 DG C3' 4.13 ? ? . . 0.200 . 5 DA H3' 5 DA C3' 19.57 ? ? . . 0.200 . 7 DT H3' 7 DT C3' 17.65 ? ? . . 0.200 . 9 DC H3' 9 DC C3' 22.20 ? ? . . 0.200 . 10 DG H3' 10 DG C3' 23.65 ? ? . . 0.200 . 1 DC H4' 1 DC C4' 3.62 ? ? . . 0.200 . 2 DG H4' 2 DG C4' 2.34 ? ? . . 0.200 . 5 DA H4' 5 DA C4' -7.62 ? ? . . 0.200 . 7 DT H4' 7 DT C4' 11.46 ? ? . . 0.200 . 9 DC H4' 9 DC C4' 19.26 ? ? . . 0.200 . 10 DG H4' 10 DG C4' 22.83 ? ? . . 0.200 . 2 DG H1 2 DG N1 8.32 ? ? . . 0.200 . 7 DT H3 7 DT N3 9.90 ? ? . . 0.200 . 10 DG H1 10 DG N1 10.01 ? ? . . 0.200 stop_ save_