data_17671 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the HIV-1 Exon Splicing Silencer 3 ; _BMRB_accession_number 17671 _BMRB_flat_file_name bmr17671.str _Entry_type original _Submission_date 2011-05-27 _Accession_date 2011-05-27 _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 Mishler Clay . . 2 Levengood Jeffrey D. . 3 Johnson Charles A. . 4 Rajan Prashant . . 5 Znosko Brent M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 184 "13C chemical shifts" 141 "15N chemical shifts" 16 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-07 original author . stop_ _Original_release_date 2012-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the HIV-1 Exon Splicing Silencer 3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22154809 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Levengood Jeffrey D. . 2 Rollins Carrie . . 3 Mishler Clay H.J. . 4 Johnson Charles A. . 5 Miner Grace . . 6 Rajan Prashant . . 7 Znosko Brent M. . 8 Tolbert Blanton S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 415 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 680 _Page_last 698 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA (27-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (27-MER)' $RNA_(27-MER) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_(27-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(27-MER) _Molecular_mass 8650.235 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; XGAUCCAUUCGAUUAGUGAA CGGAUCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 5GP 2 2 G 3 3 A 4 4 U 5 5 C 6 6 C 7 7 A 8 8 U 9 9 U 10 10 C 11 11 G 12 12 A 13 13 U 14 14 U 15 15 A 16 16 G 17 17 U 18 18 G 19 19 A 20 20 A 21 21 C 22 22 G 23 23 G 24 24 A 25 25 U 26 26 C 27 27 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_5GP _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common GUANOSINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code 5GP _Standard_residue_derivative . _Molecular_mass 363.221 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:51:35 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING P O5' ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $RNA_(27-MER) HIV-1 11676 Viruses . Lentivirus . HIV-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RNA_(27-MER) 'cell free synthesis' . in "vitro transcription" . 'in vitro transcription' 'in vitro transcription' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_hiv_exon_splicing_silencer_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(27-MER) . mM 1 2 'natural abundance' $RNA_(27-MER) . mM 0.5 1 '[U-100% 15N]' $RNA_(27-MER) . mM 0.5 1 '[U-100% 13C]' $RNA_(27-MER) . mM 0.5 1 [U-2H] 'potassium chloride' 120 mM . . 'natural abundance' 'potassium phosphate' 20 mM . . 'natural abundance' cacodylate 10 mM . . 'natural abundance' EDTA 0.5 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $hiv_exon_splicing_silencer_3 save_ save_2D_HNN-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNN-COSY' _Sample_label $hiv_exon_splicing_silencer_3 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $hiv_exon_splicing_silencer_3 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $hiv_exon_splicing_silencer_3 save_ save_2D_1H-13C_HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $hiv_exon_splicing_silencer_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 5.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D HNN-COSY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-13C HMQC' stop_ loop_ _Sample_label $hiv_exon_splicing_silencer_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (27-MER)' _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 2 G H1 H 12.53 0.02 1 2 2 2 G H1' H 5.89 0.02 . 3 2 2 G H2' H 4.68 0.02 . 4 2 2 G H3' H 4.54 0.02 . 5 2 2 G H4' H 4.57 0.02 . 6 2 2 G H5' H 4.23 0.02 . 7 2 2 G H8 H 7.63 0.02 1 8 2 2 G C1' C 93.02 0.02 . 9 2 2 G C2' C 75.56 0.02 . 10 2 2 G C4' C 82.61 0.02 . 11 2 2 G C8 C 137.2 0.02 1 12 2 2 G N1 N 147.82 0.02 1 13 3 3 A H1' H 6.01 0.02 . 14 3 3 A H2 H 7.82 0.02 1 15 3 3 A H2' H 4.55 0.02 . 16 3 3 A H3' H 4.63 0.02 . 17 3 3 A H4' H 4.51 0.02 . 18 3 3 A H5' H 4.17 0.02 . 19 3 3 A H8 H 7.88 0.02 1 20 3 3 A C1' C 93.33 0.02 . 21 3 3 A C2 C 154.17 0.02 1 22 3 3 A C2' C 72.84 0.02 . 23 3 3 A C3' C 75.85 0.02 . 24 3 3 A C4' C 82.35 0.02 . 25 3 3 A C8 C 139.74 0.02 1 26 3 3 A N1 N 222.72 0.02 1 27 4 4 U H1' H 5.52 0.02 . 28 4 4 U H2' H 4.39 0.02 . 29 4 4 U H3 H 14.2 0.02 1 30 4 4 U H3' H 4.43 0.02 . 31 4 4 U H4' H 4.42 0.02 . 32 4 4 U H5 H 5.05 0.02 1 33 4 4 U H5' H 4.09 0.02 . 34 4 4 U H6 H 7.67 0.02 1 35 4 4 U C1' C 93.58 0.02 . 36 4 4 U C2' C 75.62 0.02 . 37 4 4 U C3' C 72.49 0.02 . 38 4 4 U C4' C 82.2 0.02 . 39 4 4 U C5 C 102.88 0.02 1 40 4 4 U C6 C 141.62 0.02 1 41 4 4 U N3 N 163.49 0.02 1 42 5 5 C H1' H 5.57 0.02 . 43 5 5 C H2' H 4.38 0.02 . 44 5 5 C H3' H 4.46 0.02 . 45 5 5 C H4' H 4.46 0.02 . 46 5 5 C H5 H 5.61 0.02 1 47 5 5 C H5' H 4.55 0.02 . 48 5 5 C H5'' H 4.11 0.02 2 49 5 5 C H6 H 7.84 0.02 1 50 5 5 C C1' C 94.26 0.02 . 51 5 5 C C2' C 75.68 0.02 . 52 5 5 C C3' C 72.67 0.02 . 53 5 5 C C4' C 82.1 0.02 . 54 5 5 C C5 C 97.8 0.02 1 55 5 5 C C6 C 141.81 0.02 1 56 5 5 C N3 N 197.97 0.02 1 57 6 6 C H1' H 5.47 0.02 . 58 6 6 C H2' H 4.45 0.02 . 59 6 6 C H3' H 4.55 0.02 . 60 6 6 C H4' H 4.42 0.02 . 61 6 6 C H5 H 5.57 0.02 1 62 6 6 C H5' H 4.11 0.02 . 63 6 6 C H6 H 7.76 0.02 1 64 6 6 C C1' C 93.78 0.02 . 65 6 6 C C2' C 75.84 0.02 . 66 6 6 C C3' C 73.1 0.02 . 67 6 6 C C4' C 82.13 0.02 . 68 6 6 C C5 C 98.15 0.02 1 69 6 6 C C6 C 141.57 0.02 1 70 6 6 C N3 N 196.23 0.02 1 71 7 7 A H1' H 6.04 0.02 . 72 7 7 A H2 H 7.93 0.02 1 73 7 7 A H2' H 4.6 0.02 . 74 7 7 A H3' H 4.47 0.02 . 75 7 7 A H4' H 4.56 0.02 . 76 7 7 A H5' H 4.18 0.02 . 77 7 7 A H8 H 8.26 0.02 1 78 7 7 A C1' C 93.87 0.02 . 79 7 7 A C2 C 147.93 0.02 1 80 7 7 A C2' C 75.56 0.02 . 81 7 7 A C3' C 75.79 0.02 . 82 7 7 A C4' C 82.7 0.02 . 83 7 7 A C8 C 142.72 0.02 1 84 8 8 U H1' H 5.41 0.02 . 85 8 8 U H2' H 4.27 0.02 . 86 8 8 U H3 H 14.42 0.02 1 87 8 8 U H3' H 4.48 0.02 . 88 8 8 U H4' H 4.44 0.02 . 89 8 8 U H5 H 5.26 0.02 1 90 8 8 U H5' H 4.09 0.02 . 91 8 8 U H6 H 7.69 0.02 1 92 8 8 U C1' C 93.61 0.02 . 93 8 8 U C2' C 82.27 0.02 . 94 8 8 U C3' C 72.45 0.02 . 95 8 8 U C4' C 82.27 0.02 . 96 8 8 U C5 C 103.2 0.02 1 97 8 8 U C6 C 141.5 0.02 1 98 8 8 U N3 N 163.55 0.02 1 99 9 9 U H1' H 5.61 0.02 . 100 9 9 U H2' H 4.38 0.02 . 101 9 9 U H3 H 13.71 0.02 1 102 9 9 U H3' H 4.48 0.02 . 103 9 9 U H4' H 4.38 0.02 . 104 9 9 U H5 H 5.48 0.02 1 105 9 9 U H5' H 4.1 0.02 . 106 9 9 U H6 H 7.93 0.02 1 107 9 9 U C1' C 93.88 0.02 . 108 9 9 U C2' C 75.54 0.02 . 109 9 9 U C3' C 75.65 0.02 . 110 9 9 U C4' C 82.27 0.02 . 111 9 9 U C5 C 103.37 0.02 1 112 9 9 U C6 C 142.59 0.02 1 113 9 9 U N3 N 163.79 0.02 1 114 10 10 C H1' H 5.48 0.02 . 115 10 10 C H2' H 4.36 0.02 . 116 10 10 C H3' H 4.46 0.02 . 117 10 10 C H4' H 4.52 0.02 . 118 10 10 C H5 H 5.54 0.02 1 119 10 10 C H5' H 4.1 0.02 . 120 10 10 C H6 H 7.71 0.02 . 121 10 10 C C1' C 94.17 0.02 . 122 10 10 C C2' C 75.61 0.02 . 123 10 10 C C3' C 72.67 0.02 . 124 10 10 C C4' C 82.31 0.02 . 125 10 10 C C5 C 97.97 0.02 1 126 10 10 C C6 C 141.36 0.02 1 127 10 10 C N3 N 196.03 0.02 1 128 11 11 G H1' H 5.58 0.02 . 129 11 11 G H2' H 4.57 0.02 . 130 11 11 G H3' H 4.57 0.02 . 131 11 11 G H4' H 4.39 0.02 . 132 11 11 G H5' H 4.1 0.02 . 133 11 11 G H8 H 7.55 0.02 1 134 11 11 G C1' C 92.4 0.02 . 135 11 11 G C3' C 74.34 0.02 . 136 11 11 G C4' C 84.03 0.02 . 137 11 11 G C8 C 138.39 0.02 1 138 12 12 A H1' H 5.89 0.02 . 139 12 12 A H2 H 7.99 0.02 . 140 12 12 A H2' H 4.56 0.02 . 141 12 12 A H3' H 4.72 0.02 . 142 12 12 A H4' H 4.45 0.02 . 143 12 12 A H5' H 4.34 0.02 . 144 12 12 A H5'' H 4.13 0.02 2 145 12 12 A H8 H 8.13 0.02 1 146 12 12 A C1' C 90.97 0.02 . 147 12 12 A C2 C 155 0.02 1 148 12 12 A C2' C 73.03 0.02 . 149 12 12 A C3' C 76.45 0.02 . 150 12 12 A C4' C 84.54 0.02 . 151 12 12 A C8 C 141.28 0.02 1 152 13 13 U H1' H 5.69 0.02 . 153 13 13 U H2' H 4.23 0.02 . 154 13 13 U H3' H 4.52 0.02 . 155 13 13 U H4' H 4.22 0.02 . 156 13 13 U H5 H 5.56 0.02 1 157 13 13 U H5' H 3.95 0.02 . 158 13 13 U H6 H 7.58 0.02 1 159 13 13 U C1' C 90.4 0.02 . 160 13 13 U C2' C 75.8 0.02 . 161 13 13 U C3' C 77.28 0.02 . 162 13 13 U C4' C 85.36 0.02 . 163 13 13 U C5 C 105.2 0.02 1 164 13 13 U C6 C 143.3 0.02 1 165 14 14 U H1' H 5.69 0.02 . 166 14 14 U H2' H 4.22 0.02 . 167 14 14 U H3' H 4.52 0.02 . 168 14 14 U H4' H 4.22 0.02 . 169 14 14 U H5 H 5.77 0.02 1 170 14 14 U H5' H 3.95 0.02 . 171 14 14 U H6 H 7.63 0.02 1 172 14 14 U C1' C 90.4 0.02 . 173 14 14 U C2' C 75.8 0.02 . 174 14 14 U C3' C 77.24 0.02 . 175 14 14 U C4' C 85.26 0.02 . 176 14 14 U C5 C 105.49 0.02 1 177 14 14 U C6 C 143.98 0.02 1 178 15 15 A H1' H 5.84 0.02 . 179 15 15 A H2 H 8 0.02 1 180 15 15 A H2' H 4.58 0.02 . 181 15 15 A H3' H 4.72 0.02 . 182 15 15 A H4' H 4.28 0.02 . 183 15 15 A H5' H 3.98 0.02 . 184 15 15 A H5'' H 3.89 0.02 2 185 15 15 A H8 H 8.14 0.02 1 186 15 15 A C1' C 90.17 0.02 . 187 15 15 A C2 C 154.97 0.02 1 188 15 15 A C2' C 76.76 0.02 . 189 15 15 A C3' C 77.45 0.02 . 190 15 15 A C4' C 85.39 0.02 . 191 15 15 A C8 C 142.09 0.02 1 192 16 16 G H1' H 5.79 0.02 . 193 16 16 G H2' H 4.88 0.02 . 194 16 16 G H3' H 4.86 0.02 . 195 16 16 G H4' H 4.49 0.02 . 196 16 16 G H5' H 4.28 0.02 . 197 16 16 G H5'' H 4.2 0.02 2 198 16 16 G H8 H 7.88 0.02 1 199 16 16 G C1' C 91.77 0.02 . 200 16 16 G C2' C 77.03 0.02 . 201 16 16 G C3' C 75.29 0.02 . 202 16 16 G C4' C 85.41 0.02 . 203 16 16 G C8 C 140.66 0.02 1 204 17 17 U H1' H 5.99 0.02 . 205 17 17 U H2' H 4.51 0.02 . 206 17 17 U H3' H 4.77 0.02 . 207 17 17 U H4' H 4.51 0.02 . 208 17 17 U H5 H 5.87 0.02 1 209 17 17 U H5' H 4.27 0.02 . 210 17 17 U H6 H 7.88 0.02 1 211 17 17 U C1' C 90.97 0.02 . 212 17 17 U C2' C 77.31 0.02 . 213 17 17 U C3' C 76.96 0.02 . 214 17 17 U C4' C 85.31 0.02 . 215 17 17 U C5 C 105.58 0.02 1 216 17 17 U C6 C 143.89 0.02 1 217 18 18 G H1 H 11.91 0.02 1 218 18 18 G H1' H 5.48 0.02 . 219 18 18 G H2' H 4.71 0.02 . 220 18 18 G H3' H 4.61 0.02 . 221 18 18 G H4' H 4.49 0.02 . 222 18 18 G H5' H 4.39 0.02 . 223 18 18 G H5'' H 4.24 0.02 2 224 18 18 G H8 H 7.93 0.02 1 225 18 18 G C1' C 92.66 0.02 . 226 18 18 G C2' C 77.03 0.02 . 227 18 18 G C3' C 75.29 0.02 . 228 18 18 G C4' C 83.14 0.02 . 229 18 18 G C8 C 138.15 0.02 1 230 18 18 G N1 N 146.99 0.02 1 231 19 19 A H1' H 5.92 0.02 . 232 19 19 A H2 H 7.18 0.02 1 233 19 19 A H2' H 4.71 0.02 . 234 19 19 A H3' H 4.57 0.02 . 235 19 19 A H4' H 4.53 0.02 . 236 19 19 A H5' H 4.21 0.02 . 237 19 19 A H8 H 7.88 0.02 1 238 19 19 A C1' C 93.12 0.02 . 239 19 19 A C2 C 153.06 0.02 1 240 19 19 A C2' C 75.63 0.02 . 241 19 19 A C3' C 76.48 0.02 . 242 19 19 A C4' C 82.49 0.02 . 243 19 19 A C8 C 139.77 0.02 1 244 19 19 A N1 N 220.26 0.02 1 245 20 20 A H1' H 5.76 0.02 . 246 20 20 A H2 H 7.75 0.02 1 247 20 20 A H2' H 4.6 0.02 . 248 20 20 A H3' H 4.39 0.02 . 249 20 20 A H4' H 4.51 0.02 . 250 20 20 A H5' H 4.1 0.02 . 251 20 20 A H8 H 7.54 0.02 1 252 20 20 A C1' C 93.34 0.02 . 253 20 20 A C2 C 153.83 0.02 1 254 20 20 A C2' C 75.84 0.02 . 255 20 20 A C3' C 72.93 0.02 . 256 20 20 A C4' C 82.33 0.02 . 257 20 20 A C8 C 139 0.02 1 258 20 20 A N1 N 222.02 0.02 1 259 21 21 C H1' H 5.3 0.02 . 260 21 21 C H2' H 4.36 0.02 . 261 21 21 C H3' H 4.48 0.02 . 262 21 21 C H4' H 4.38 0.02 . 263 21 21 C H5 H 5.41 0.02 1 264 21 21 C H5' H 4.11 0.02 . 265 21 21 C H6 H 7.56 0.02 1 266 21 21 C C1' C 93.62 0.02 . 267 21 21 C C2' C 75.98 0.02 . 268 21 21 C C3' C 72.79 0.02 . 269 21 21 C C4' C 82.27 0.02 . 270 21 21 C C5 C 98.01 0.02 1 271 21 21 C C6 C 140.84 0.02 1 272 22 22 G H1 H 12.33 0.02 1 273 22 22 G H1' H 5.73 0.02 . 274 22 22 G H2' H 4.65 0.02 . 275 22 22 G H3' H 4.63 0.02 . 276 22 22 G H4' H 4.49 0.02 . 277 22 22 G H5' H 4.42 0.02 . 278 22 22 G H8 H 7.79 0.02 1 279 22 22 G C1' C 90.67 0.02 . 280 22 22 G C2' C 75.33 0.02 . 281 22 22 G C3' C 73.38 0.02 . 282 22 22 G C4' C 83.17 0.02 . 283 22 22 G C8 C 137.83 0.02 1 284 22 22 G N1 N 147.69 0.02 1 285 23 23 G H1 H 12.38 0.02 1 286 23 23 G H1' H 5.67 0.02 . 287 23 23 G H2' H 4.58 0.02 . 288 23 23 G H3' H 4.5 0.02 . 289 23 23 G H4' H 4.58 0.02 . 290 23 23 G H5' H 4.42 0.02 . 291 23 23 G H5'' H 4.22 0.02 2 292 23 23 G H8 H 7.39 0.02 1 293 23 23 G C1' C 93.18 0.02 . 294 23 23 G C3' C 73.56 0.02 . 295 23 23 G C4' C 82.63 0.02 . 296 23 23 G C8 C 136.99 0.02 1 297 23 23 G N1 N 147.7 0.02 1 298 24 24 A H1' H 5.97 0.02 . 299 24 24 A H2 H 7.79 0.02 1 300 24 24 A H2' H 4.47 0.02 . 301 24 24 A H3' H 4.62 0.02 . 302 24 24 A H4' H 4.49 0.02 . 303 24 24 A H5' H 4.13 0.02 . 304 24 24 A H8 H 7.83 0.02 1 305 24 24 A C1' C 93.24 0.02 . 306 24 24 A C2 C 154.11 0.02 1 307 24 24 A C2' C 72.84 0.02 . 308 24 24 A C3' C 73.2 0.02 . 309 24 24 A C4' C 82.42 0.02 . 310 24 24 A C8 C 139.67 0.02 1 311 24 24 A N1 N 222.6 0.02 1 312 25 25 U H1' H 5.52 0.02 . 313 25 25 U H2' H 4.39 0.02 . 314 25 25 U H3 H 14.17 0.02 1 315 25 25 U H3' H 4.43 0.02 . 316 25 25 U H4' H 4.42 0.02 . 317 25 25 U H5 H 5.02 0.02 1 318 25 25 U H5' H 4.09 0.02 . 319 25 25 U H6 H 7.67 0.02 1 320 25 25 U C1' C 93.58 0.02 . 321 25 25 U C2' C 75.62 0.02 . 322 25 25 U C3' C 72.49 0.02 . 323 25 25 U C4' C 82.2 0.02 . 324 25 25 U C5 C 102.79 0.02 1 325 25 25 U C6 C 141.6 0.02 1 326 25 25 U N3 N 163.49 0.02 1 327 26 26 C H1' H 5.6 0.02 . 328 26 26 C H2' H 4.25 0.02 . 329 26 26 C H3' H 4.43 0.02 . 330 26 26 C H4' H 4.43 0.02 . 331 26 26 C H5 H 5.61 0.02 1 332 26 26 C H5' H 4.51 0.02 . 333 26 26 C H5'' H 4.07 0.02 2 334 26 26 C H6 H 7.84 0.02 1 335 26 26 C C1' C 94.4 0.02 . 336 26 26 C C2' C 75.85 0.02 . 337 26 26 C C3' C 72.55 0.02 . 338 26 26 C C4' C 82.15 0.02 . 339 26 26 C C5 C 97.8 0.02 1 340 26 26 C C6 C 141.81 0.02 1 341 26 26 C N3 N 198.2 0.02 1 stop_ save_