data_4172 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Response Element of the Orphan Nuclear Receptor Rev-erb Beta ; _BMRB_accession_number 4172 _BMRB_flat_file_name bmr4172.str _Entry_type original _Submission_date 1998-08-03 _Accession_date 1998-08-03 _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 Castagne C. . . 2 Terenzi H. . . 3 Zakin M. M. . 4 Delepierre M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 268 "31P chemical shifts" 28 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-07-15 update BMRB 'update DNA residue label to two-letter code' 2000-12-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Orphan Nuclear Receptor Rev-erb Beta Response Element by 1H, 31P NMR and Molecular Simulation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Castagne C. . . 2 Terenzi H. . . 3 Zakin M. M. . 4 Delepierre M. . . stop_ _Journal_abbreviation Biochimie _Journal_name_full Biochimie _Journal_volume 82 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 739 _Page_last 748 _Year 2000 _Details . loop_ _Keyword NMR 'nuclear magnetic resonance' DNA 'response element' 'orphan nuclear receptor' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; R. Lavery in structure and expression,vol 3, DNA bending and curvature (Olson et al., Eds) pp 191-211, Adenine Press, NY (1988) ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_Rev_RE _Saveframe_category molecular_system _Mol_system_name 'Rev-erb beta response element' _Abbreviation_common Rev_RE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rev-RE subunit 1' $Rev-RE-A 'Rev-RE subunit 2' $Rev-RE-B stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state duplex _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rev-RE-A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'Rev-RE subunit 1' _Abbreviation_common Rev-RE-A _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence TAGAATGTAGGTCAG loop_ _Residue_seq_code _Residue_label 1 DT 2 DA 3 DG 4 DA 5 DA 6 DT 7 DG 8 DT 9 DA 10 DG 11 DG 12 DT 13 DC 14 DA 15 DG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_Rev-RE-B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 'Rev-RE subunit 2' _Abbreviation_common Rev-RE-B _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 15 _Mol_residue_sequence CTGACCTACATTCTA loop_ _Residue_seq_code _Residue_label 1 DC 2 DT 3 DG 4 DA 5 DC 6 DC 7 DT 8 DA 9 DC 10 DA 11 DT 12 DT 13 DC 14 DT 15 DA 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 $Rev-RE-A mouse 10090 Eukaryota Metazoa Mus musculus $Rev-RE-B mouse 10090 Eukaryota Metazoa Mus musculus 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 $Rev-RE-A 'chemical synthesis' . . . . . $Rev-RE-B 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rev-RE-A 3.6 mM . $Rev-RE-B 3.6 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version 95.0 loop_ _Task 'cross-peaks volume calculation' stop_ _Details . save_ save_software_two _Saveframe_category software _Name JUMNA _Version 8.0 loop_ _Task ; molecular simulation nucleic acid minimization ; stop_ _Details ; The algorithm for this program uses the helicoidal variables (helical parameters and backbones dihedrals) to describe nucleic acid structure during minimization. ; _Citation_label $citation_one save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY TOCSY' _Sample_label $sample_one save_ save_31P-1H_hcosyinv_and_hsqc-tocsy_2 _Saveframe_category NMR_applied_experiment _Experiment_name '31P-1H hcosyinv and hsqc-tocsy' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '31P-1H hcosyinv and hsqc-tocsy' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 303 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 TSP H 1 'methyl protons' ppm 0.0 internal direct . . . H3PO4 P 31 phosphorus ppm 0.0 external direct . . . 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'Rev-RE subunit 1' _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 . 1 DT H6 H 7.26 0.03 1 2 . 1 DT H71 H 1.59 0.03 1 3 . 1 DT H72 H 1.59 0.03 1 4 . 1 DT H73 H 1.59 0.03 1 5 . 1 DT H1' H 5.7 0.03 1 6 . 1 DT H2' H 1.53 0.03 1 7 . 1 DT H2'' H 2.02 0.03 1 8 . 1 DT H3' H 4.56 0.03 1 9 . 1 DT H4' H 3.94 0.03 1 10 . 1 DT H5' H 3.59 0.03 2 11 . 1 DT P P -0.39 0.03 1 12 . 2 DA H8 H 8.22 0.03 1 13 . 2 DA H1' H 5.83 0.03 1 14 . 2 DA H2' H 2.77 0.03 1 15 . 2 DA H2'' H 2.82 0.03 1 16 . 2 DA H3' H 4.98 0.03 1 17 . 2 DA H4' H 4.35 0.03 1 18 . 2 DA H5' H 3.92 0.03 2 19 . 2 DA H5'' H 4.02 0.03 2 20 . 2 DA P P -0.41 0.03 1 21 . 3 DG H1 H 12.43 0.03 1 22 . 3 DG H8 H 7.74 0.03 1 23 . 3 DG H1' H 5.38 0.03 1 24 . 3 DG H2' H 2.56 0.03 1 25 . 3 DG H2'' H 2.67 0.03 1 26 . 3 DG H3' H 4.98 0.03 1 27 . 3 DG H4' H 4.35 0.03 1 28 . 3 DG H5' H 4.12 0.03 2 29 . 3 DG H5'' H 4.18 0.03 2 30 . 3 DG P P -0.2 0.03 1 31 . 4 DA H2 H 7.28 0.03 1 32 . 4 DA H8 H 8.11 0.03 1 33 . 4 DA H1' H 6.02 0.03 1 34 . 4 DA H2' H 2.68 0.03 1 35 . 4 DA H2'' H 2.94 0.03 1 36 . 4 DA H3' H 5.08 0.03 1 37 . 4 DA H4' H 4.46 0.03 1 38 . 4 DA P P -0.49 0.03 1 39 . 5 DA H2 H 7.63 0.03 1 40 . 5 DA H8 H 8.11 0.03 1 41 . 5 DA H1' H 6.15 0.03 1 42 . 5 DA H2' H 2.55 0.03 1 43 . 5 DA H2'' H 2.9 0.03 1 44 . 5 DA H3' H 5.01 0.03 1 45 . 5 DA H4' H 4.44 0.03 1 46 . 5 DA P P -0.51 0.03 1 47 . 6 DT H3 H 13.28 0.03 1 48 . 6 DT H6 H 7.00 0.03 1 49 . 6 DT H71 H 1.33 0.03 1 50 . 6 DT H72 H 1.33 0.03 1 51 . 6 DT H73 H 1.33 0.03 1 52 . 6 DT H1' H 5.74 0.03 1 53 . 6 DT H2' H 2.04 0.03 1 54 . 6 DT H2'' H 2.42 0.03 1 55 . 6 DT H3' H 4.85 0.03 1 56 . 6 DT H4' H 4.19 0.03 1 57 . 6 DT H5' H 4.26 0.03 2 58 . 6 DT H5'' H 4.43 0.03 2 59 . 6 DT P P -0.32 0.03 1 60 . 7 DG H1 H 12.21 0.03 1 61 . 7 DG H8 H 7.72 0.03 1 62 . 7 DG H1' H 5.89 0.03 1 63 . 7 DG H2' H 2.54 0.03 1 64 . 7 DG H2'' H 2.72 0.03 1 65 . 7 DG H3' H 4.92 0.03 1 66 . 7 DG H4' H 4.37 0.03 1 67 . 7 DG P P -0.63 0.03 1 68 . 8 DT H3 H 13.47 0.03 1 69 . 8 DT H6 H 7.17 0.03 1 70 . 8 DT H71 H 1.33 0.03 1 71 . 8 DT H72 H 1.33 0.03 1 72 . 8 DT H73 H 1.33 0.03 1 73 . 8 DT H1' H 5.62 0.03 1 74 . 8 DT H2' H 2.04 0.03 1 75 . 8 DT H2'' H 2.39 0.03 1 76 . 8 DT H3' H 4.86 0.03 1 77 . 8 DT H4' H 4.18 0.03 1 78 . 8 DT P P -0.48 0.03 1 79 . 9 DA H2 H 7.31 0.03 1 80 . 9 DA H8 H 8.12 0.03 1 81 . 9 DA H1' H 6.02 0.03 1 82 . 9 DA H2' H 2.66 0.03 1 83 . 9 DA H2'' H 2.88 0.03 1 84 . 9 DA H3' H 5.03 0.03 1 85 . 9 DA H4' H 4.38 0.03 1 86 . 9 DA H5' H 4.04 0.03 2 87 . 9 DA H5'' H 4.13 0.03 2 88 . 9 DA P P -0.43 0.03 1 89 . 10 DG H1 H 12.77 0.03 1 90 . 10 DG H8 H 7.58 0.03 1 91 . 10 DG H1' H 5.64 0.03 1 92 . 10 DG H2' H 2.56 0.03 1 93 . 10 DG H2'' H 2.64 0.03 1 94 . 10 DG H3' H 4.94 0.03 1 95 . 10 DG H4' H 4.36 0.03 1 96 . 10 DG H5' H 4.14 0.03 2 97 . 10 DG H5'' H 4.22 0.03 2 98 . 10 DG P P -0.23 0.03 1 99 . 11 DG H1 H 12.75 0.03 1 100 . 11 DG H8 H 7.44 0.03 1 101 . 11 DG H1' H 5.89 0.03 1 102 . 11 DG H2' H 2.10 0.03 1 103 . 11 DG H2'' H 2.44 0.03 1 104 . 11 DG H3' H 4.78 0.03 1 105 . 11 DG H4' H 4.36 0.03 1 106 . 11 DG H5' H 4.20 0.03 2 107 . 11 DG P P -0.72 0.03 1 108 . 12 DT H3 H 13.77 0.03 1 109 . 12 DT H6 H 7.28 0.03 1 110 . 12 DT H71 H 1.22 0.03 1 111 . 12 DT H72 H 1.22 0.03 1 112 . 12 DT H73 H 1.22 0.03 1 113 . 12 DT H1' H 6.02 0.03 1 114 . 12 DT H2' H 2.07 0.03 1 115 . 12 DT H2'' H 2.46 0.03 1 116 . 12 DT H3' H 4.86 0.03 1 117 . 12 DT H4' H 4.22 0.03 1 118 . 12 DT P P -0.58 0.03 1 119 . 13 DC H41 H 6.93 0.03 2 120 . 13 DC H42 H 8.54 0.03 2 121 . 13 DC H5 H 5.69 0.03 1 122 . 13 DC H6 H 7.52 0.03 1 123 . 13 DC H1' H 5.43 0.03 1 124 . 13 DC H2' H 2.01 0.03 1 125 . 13 DC H2'' H 2.30 0.03 1 126 . 13 DC H3' H 4.83 0.03 1 127 . 13 DC H4' H 4.08 0.03 1 128 . 13 DC P P -0.13 0.03 1 129 . 14 DA H2 H 7.77 0.03 1 130 . 14 DA H8 H 8.20 0.03 1 131 . 14 DA H1' H 6.03 0.03 1 132 . 14 DA H2' H 2.73 0.03 1 133 . 14 DA H2'' H 2.87 0.03 1 134 . 14 DA H3' H 5.04 0.03 1 135 . 14 DA H4' H 4.40 0.03 1 136 . 14 DA P P -0.31 0.03 1 137 . 15 DG H1 H 13.12 0.03 1 138 . 15 DG H8 H 7.71 0.03 1 139 . 15 DG H1' H 6.03 0.03 1 140 . 15 DG H2' H 2.29 0.03 1 141 . 15 DG H2'' H 2.48 0.03 1 142 . 15 DG H3' H 4.64 0.03 1 143 . 15 DG H4' H 4.21 0.03 1 stop_ save_ save_assigned_chemical_shifts_two _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name 'Rev-RE subunit 2' _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 . 1 DC H41 H 7.09 0.03 2 2 . 1 DC H42 H 7.92 0.03 2 3 . 1 DC H5 H 5.91 0.03 1 4 . 1 DC H6 H 7.78 0.03 1 5 . 1 DC H1' H 5.90 0.03 1 6 . 1 DC H2' H 2.09 0.03 1 7 . 1 DC H2'' H 2.53 0.03 1 8 . 1 DC H3' H 4.66 0.03 1 9 . 1 DC H4' H 4.09 0.03 1 10 . 1 DC H5' H 3.72 0.03 2 11 . 1 DC H5'' H 3.78 0.03 2 12 . 1 DC P P -0.43 0.03 1 13 . 2 DT H3 H 14.04 0.03 1 14 . 2 DT H6 H 7.44 0.03 1 15 . 2 DT H71 H 1.69 0.03 1 16 . 2 DT H72 H 1.69 0.03 1 17 . 2 DT H73 H 1.69 0.03 1 18 . 2 DT H1' H 5.71 0.03 1 19 . 2 DT H2' H 2.09 0.03 1 20 . 2 DT H2'' H 2.41 0.03 1 21 . 2 DT H3' H 4.87 0.03 1 22 . 2 DT H4' H 4.14 0.03 1 23 . 2 DT P P -0.32 0.03 1 24 . 3 DG H1 H 12.68 0.03 1 25 . 3 DG H8 H 7.92 0.03 1 26 . 3 DG H1' H 5.54 0.03 1 27 . 3 DG H2' H 2.71 0.03 1 28 . 3 DG H2'' H 2.78 0.03 1 29 . 3 DG H3' H 5.03 0.03 1 30 . 3 DG H4' H 4.36 0.03 1 31 . 3 DG H5' H 4.05 0.03 2 32 . 3 DG H5'' H 4.15 0.03 2 33 . 3 DG P P -0.24 0.03 1 34 . 4 DA H2 H 7.82 0.03 1 35 . 4 DA H8 H 8.18 0.03 1 36 . 4 DA H1' H 6.23 0.03 1 37 . 4 DA H2' H 2.70 0.03 1 38 . 4 DA H2'' H 2.90 0.03 1 39 . 4 DA H3' H 5.03 0.03 1 40 . 4 DA H4' H 4.48 0.03 1 41 . 4 DA H5' H 4.24 0.03 2 42 . 4 DA H5'' H 4.35 0.03 2 43 . 4 DA P P -0.51 0.03 1 44 . 5 DC H41 H 6.58 0.03 2 45 . 5 DC H42 H 7.95 0.03 2 46 . 5 DC H5 H 5.21 0.03 1 47 . 5 DC H6 H 7.22 0.03 1 48 . 5 DC H1' H 5.77 0.03 1 49 . 5 DC H2' H 2.04 0.03 1 50 . 5 DC H2'' H 2.42 0.03 1 51 . 5 DC H3' H 4.74 0.03 1 52 . 5 DC H4' H 4.18 0.03 1 53 . 5 DC P P -0.41 0.03 1 54 . 6 DC H41 H 6.80 0.03 2 55 . 6 DC H42 H 8.21 0.03 2 56 . 6 DC H5 H 5.40 0.03 1 57 . 6 DC H6 H 7.42 0.03 1 58 . 6 DC H1' H 5.82 0.03 1 59 . 6 DC H2' H 2.02 0.03 1 60 . 6 DC H2'' H 2.44 0.03 1 61 . 6 DC H3' H 4.72 0.03 1 62 . 6 DC H4' H 4.12 0.03 1 63 . 6 DC P P -0.67 0.03 1 64 . 7 DT H3 H 13.58 0.03 1 65 . 7 DT H6 H 7.36 0.03 1 66 . 7 DT H71 H 1.61 0.03 1 67 . 7 DT H72 H 1.61 0.03 1 68 . 7 DT H73 H 1.61 0.03 1 69 . 7 DT H1' H 5.66 0.03 1 70 . 7 DT H2' H 2.10 0.03 1 71 . 7 DT H2'' H 2.45 0.03 1 72 . 7 DT H3' H 4.87 0.03 1 73 . 7 DT H4' H 4.15 0.03 1 74 . 7 DT P P -0.48 0.03 1 75 . 8 DA H2 H 7.31 0.03 1 76 . 8 DA H8 H 8.25 0.03 1 77 . 8 DA H1' H 6.17 0.03 1 78 . 8 DA H2' H 2.69 0.03 1 79 . 8 DA H2'' H 2.86 0.03 1 80 . 8 DA H3' H 5.02 0.03 1 81 . 8 DA H4' H 4.40 0.03 1 82 . 8 DA H5' H 4.06 0.03 2 83 . 8 DA H5'' H 4.14 0.03 2 84 . 8 DA P P -0.43 0.03 1 85 . 9 DC H41 H 6.59 0.03 2 86 . 9 DC H42 H 8.05 0.03 2 87 . 9 DC H5 H 5.31 0.03 1 88 . 9 DC H6 H 7.28 0.03 1 89 . 9 DC H1' H 5.48 0.03 1 90 . 9 DC H2' H 2.02 0.03 1 91 . 9 DC H2'' H 2.37 0.03 1 92 . 9 DC H3' H 4.79 0.03 1 93 . 9 DC H4' H 4.19 0.03 1 94 . 9 DC P P -0.32 0.03 1 95 . 10 DA H2 H 7.44 0.03 1 96 . 10 DA H8 H 8.20 0.03 1 97 . 10 DA H1' H 6.21 0.03 1 98 . 10 DA H2' H 2.66 0.03 1 99 . 10 DA H2'' H 2.93 0.03 1 100 . 10 DA H3' H 4.99 0.03 1 101 . 10 DA H4' H 4.40 0.03 1 102 . 10 DA P P -0.67 0.03 1 103 . 11 DT H3 H 13.80 0.03 1 104 . 11 DT H6 H 7.19 0.03 1 105 . 11 DT H71 H 1.33 0.03 1 106 . 11 DT H72 H 1.33 0.03 1 107 . 11 DT H73 H 1.33 0.03 1 108 . 11 DT H1' H 5.96 0.03 1 109 . 11 DT H2' H 2.03 0.03 1 110 . 11 DT H2'' H 2.55 0.03 1 111 . 11 DT H3' H 4.84 0.03 1 112 . 11 DT H4' H 4.09 0.03 1 113 . 11 DT P P -0.64 0.03 1 114 . 12 DT H3 H 13.20 0.03 1 115 . 12 DT H6 H 7.42 0.03 1 116 . 12 DT H71 H 1.59 0.03 1 117 . 12 DT H72 H 1.59 0.03 1 118 . 12 DT H73 H 1.59 0.03 1 119 . 12 DT H1' H 6.10 0.03 1 120 . 12 DT H2' H 2.22 0.03 1 121 . 12 DT H2'' H 2.55 0.03 1 122 . 12 DT H3' H 4.91 0.03 1 123 . 12 DT H4' H 4.23 0.03 1 124 . 12 DT P P -0.38 0.03 1 125 . 13 DC H41 H 7.07 0.03 2 126 . 13 DC H42 H 8.34 0.03 2 127 . 13 DC H5 H 5.69 0.03 1 128 . 13 DC H6 H 7.58 0.03 1 129 . 13 DC H1' H 6.02 0.03 1 130 . 13 DC H2' H 2.08 0.03 1 131 . 13 DC H2'' H 2.43 0.03 1 132 . 13 DC H3' H 4.82 0.03 1 133 . 13 DC H4' H 4.18 0.03 1 134 . 13 DC P P -0.37 0.03 1 135 . 14 DT H3 H 13.82 0.03 1 136 . 14 DT H6 H 7.38 0.03 1 137 . 14 DT H71 H 1.75 0.03 1 138 . 14 DT H72 H 1.75 0.03 1 139 . 14 DT H73 H 1.75 0.03 1 140 . 14 DT H1' H 5.97 0.03 1 141 . 14 DT H2' H 2.05 0.03 1 142 . 14 DT H2'' H 2.33 0.03 1 143 . 14 DT H3' H 4.84 0.03 1 144 . 14 DT H4' H 4.21 0.03 1 145 . 14 DT P P -0.18 0.03 1 146 . 15 DA H8 H 8.29 0.03 1 147 . 15 DA H1' H 6.34 0.03 1 148 . 15 DA H2' H 2.50 0.03 1 149 . 15 DA H2'' H 2.73 0.03 1 150 . 15 DA H3' H 4.73 0.03 1 151 . 15 DA H4' H 4.21 0.03 1 152 . 15 DA H5' H 4.04 0.03 2 153 . 15 DA H5'' H 4.10 0.03 2 stop_ save_