data_15572 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE ; _BMRB_accession_number 15572 _BMRB_flat_file_name bmr15572.str _Entry_type new _Submission_date 2007-11-29 _Accession_date 2007-11-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Popenda Lukasz . . 2 Adamiak Ryszard W. . 3 Gdaniec Zofia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 173 "13C chemical shifts" 112 "31P chemical shifts" 19 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-05-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15571 'RNA DUPLEX' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_title 'Bulged adenosine influence on the RNA duplex conformation in solution' _Citation_status published _Citation_type journal _PubMed_ID 18399645 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Popenda Lukasz . . 2 Adamiak Ryszard W. . 3 Gdaniec Zofia . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 18 _Page_first 5059 _Page_last 5067 _Year 2008 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE' loop_ _Mol_system_component_name _Mol_label 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE' $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE' $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') stop_ _System_physical_state native _System_oligomer_state ? _System_paramagnetic no save_ ######################## # Monomeric polymers # ######################## save_RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') _Molecular_mass 3608.283 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence GCAGAAGAGCG loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 A 4 G 5 A 6 A 7 G 8 A 9 G 10 C 11 G stop_ save_ save_RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') _Molecular_mass 3089.881 _Mol_thiol_state 'not present' _Residue_count 10 _Mol_residue_sequence CGCUCUCUGC loop_ _Residue_seq_code _Residue_label 1 C 2 G 3 C 4 U 5 C 6 U 7 C 8 U 9 G 10 C stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') . . . . . . $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') . . . . . . 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 _Details $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') 'chemical synthesis' . . . . ? 'synthesized using phosphoramidite chemistry' $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') 'chemical synthesis' . . . . ? 'synthesized using phosphoramidite chemistry' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') 0.5 mM 'natural abundance' $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') 0.5 mM 'natural abundance' D2O 100 % '[U-100% 2H]' NaCl 50 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*CP*AP*GP*AP*AP*GP*AP*GP*CP*G)-3') 0.5 mM 'natural abundance' $RNA_(5'-R(*CP*GP*CP*UP*CP*UP*CP*UP*GP*C)-3') 0.5 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % . NaCl 50 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.18 loop_ _Vendor _Address _Electronic_address 'C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ save_ save_Felix _Saveframe_category software _Name Felix _Version 2000 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ save_ save_CURVES _Saveframe_category software _Name CURVES _Version 5.3 loop_ _Vendor _Address _Electronic_address 'Lavery and Sklenar' . . stop_ loop_ _Task 'data analysis' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-31P_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_1D_NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1D NOE' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM NaCl, 10 mM sodium phosphate, 0.1 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 60 . mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '50 mM NaCl, 10 mM sodium phosphate, 0.1 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 60 . mM stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details '50 mM NaCl, 10 mM sodium phosphate, 0.1 mM EDTA' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 283 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 60 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 H 1 'methyl protons' ppm 0.0 internal direct ? ? ? 1.0 DSS C 13 'methyl carbons' ppm 0.0 internal indirect ? ? ? 0.251449530 TMP P 31 phosphorus ppm 0.0 internal indirect ? ? ? 0.404808636 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_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-31P HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE' 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 1 G H1' H 5.69 0.01 1 2 1 1 G H2' H 4.75 0.01 1 3 1 1 G H3' H 4.57 0.01 1 4 1 1 G H4' H 4.34 0.01 1 5 1 1 G H5' H 4.03 0.01 2 6 1 1 G H5'' H 3.90 0.01 2 7 1 1 G H8 H 8.04 0.01 1 8 1 1 G C1' C 92.50 0.10 1 9 1 1 G C2' C 74.90 0.10 1 10 1 1 G C3' C 74.00 0.10 1 11 1 1 G C4' C 84.80 0.10 1 12 1 1 G C5' C 62.20 0.10 1 13 1 1 G C8 C 138.80 0.10 1 14 2 2 C H1' H 5.62 0.01 1 15 2 2 C H2' H 4.65 0.01 1 16 2 2 C H3' H 4.61 0.01 1 17 2 2 C H4' H 4.49 0.01 1 18 2 2 C H5 H 5.31 0.01 1 19 2 2 C H5'' H 4.20 0.01 2 20 2 2 C H6 H 7.87 0.01 1 21 2 2 C H41 H 8.49 0.01 2 22 2 2 C H42 H 6.82 0.01 2 23 2 2 C C1' C 93.80 0.20 1 24 2 2 C C2' C 75.60 0.10 1 25 2 2 C C3' C 72.40 0.10 1 26 2 2 C C5 C 97.20 0.10 1 27 2 2 C C6 C 141.60 0.10 1 28 2 2 C P P -4.32 0.01 1 29 3 3 A H1' H 5.94 0.01 1 30 3 3 A H2 H 6.93 0.01 1 31 3 3 A H2' H 4.61 0.01 1 32 3 3 A H3' H 4.71 0.01 1 33 3 3 A H4' H 4.52 0.01 1 34 3 3 A H5'' H 4.18 0.01 2 35 3 3 A H8 H 7.98 0.01 1 36 3 3 A C1' C 92.90 0.10 1 37 3 3 A C2 C 152.30 0.10 1 38 3 3 A C2' C 75.60 0.10 1 39 3 3 A C3' C 73.00 0.10 1 40 3 3 A C4' C 82.00 0.20 1 41 3 3 A C8 C 139.40 0.10 1 42 3 3 A P P -3.80 0.01 1 43 4 4 G H1 H 12.64 0.01 1 44 4 4 G H1' H 5.56 0.01 1 45 4 4 G H2' H 4.27 0.01 1 46 4 4 G H3' H 4.54 0.01 1 47 4 4 G H4' H 4.45 0.01 1 48 4 4 G H5' H 4.49 0.01 2 49 4 4 G H5'' H 4.08 0.01 2 50 4 4 G H8 H 7.21 0.01 1 51 4 4 G C1' C 91.80 0.10 1 52 4 4 G C2' C 76.10 0.10 1 53 4 4 G C8 C 136.20 0.10 1 54 4 4 G P P -3.90 0.01 1 55 5 5 A H1' H 5.93 0.01 1 56 5 5 A H2 H 7.42 0.01 1 57 5 5 A H2' H 4.42 0.01 1 58 5 5 A H3' H 4.71 0.01 1 59 5 5 A H4' H 4.47 0.01 1 60 5 5 A H5'' H 4.15 0.01 2 61 5 5 A H8 H 7.88 0.01 1 62 5 5 A C1' C 91.40 0.10 1 63 5 5 A C2 C 154.20 0.10 1 64 5 5 A C2' C 76.30 0.10 1 65 5 5 A C3' C 74.60 0.10 1 66 5 5 A C4' C 83.50 0.10 1 67 5 5 A C8 C 140.50 0.10 1 68 5 5 A P P -4.08 0.01 1 69 6 6 A H1' H 5.85 0.01 1 70 6 6 A H2 H 7.61 0.01 1 71 6 6 A H2' H 4.62 0.01 1 72 6 6 A H3' H 4.62 0.01 1 73 6 6 A H4' H 4.49 0.01 1 74 6 6 A H5' H 4.38 0.01 2 75 6 6 A H5'' H 4.16 0.01 2 76 6 6 A H8 H 7.95 0.01 1 77 6 6 A C1' C 91.30 0.20 1 78 6 6 A C2 C 153.80 0.10 1 79 6 6 A C5' C 66.60 0.10 1 80 6 6 A C8 C 140.50 0.10 1 81 6 6 A P P -4.16 0.01 1 82 7 7 G H1 H 12.37 0.01 1 83 7 7 G H1' H 5.62 0.01 1 84 7 7 G H2' H 4.61 0.01 1 85 7 7 G H3' H 4.46 0.01 1 86 7 7 G H4' H 4.48 0.01 1 87 7 7 G H5' H 4.37 0.01 2 88 7 7 G H5'' H 4.14 0.01 2 89 7 7 G H8 H 7.31 0.01 1 90 7 7 G C1' C 92.30 0.10 1 91 7 7 G C2' C 75.30 0.10 1 92 7 7 G C5' C 66.80 0.10 1 93 7 7 G C8 C 136.70 0.10 1 94 7 7 G P P -3.94 0.01 1 95 8 8 A H1' H 5.95 0.01 1 96 8 8 A H2 H 7.49 0.01 1 97 8 8 A H2' H 4.67 0.01 1 98 8 8 A H3' H 4.65 0.01 1 99 8 8 A H4' H 4.52 0.01 1 100 8 8 A H5'' H 4.16 0.01 2 101 8 8 A H8 H 7.76 0.01 1 102 8 8 A C1' C 92.90 0.10 1 103 8 8 A C2 C 153.30 0.10 1 104 8 8 A C2' C 75.60 0.10 1 105 8 8 A C4' C 82.00 0.20 1 106 8 8 A C8 C 139.40 0.10 1 107 8 8 A P P -4.10 0.01 1 108 9 9 G H1 H 13.47 0.01 1 109 9 9 G H1' H 5.64 0.01 1 110 9 9 G H2' H 4.44 0.01 1 111 9 9 G H3' H 4.43 0.01 1 112 9 9 G H4' H 4.43 0.01 1 113 9 9 G H5' H 4.49 0.01 2 114 9 9 G H5'' H 4.06 0.01 2 115 9 9 G H8 H 7.25 0.01 1 116 9 9 G C1' C 92.60 0.10 1 117 9 9 G C2' C 75.30 0.10 1 118 9 9 G C3' C 72.70 0.10 1 119 9 9 G C4' C 81.90 0.20 1 120 9 9 G C8 C 135.50 0.10 1 121 9 9 G P P -4.16 0.01 1 122 10 10 C H1' H 5.49 0.01 1 123 10 10 C H2' H 4.33 0.01 1 124 10 10 C H3' H 4.42 0.01 1 125 10 10 C H4' H 4.39 0.01 1 126 10 10 C H5 H 5.18 0.01 1 127 10 10 C H5' H 4.50 0.01 2 128 10 10 C H5'' H 4.04 0.01 2 129 10 10 C H6 H 7.47 0.01 1 130 10 10 C H41 H 8.37 0.01 2 131 10 10 C H42 H 6.77 0.01 2 132 10 10 C C1' C 93.80 0.10 1 133 10 10 C C2' C 75.50 0.10 1 134 10 10 C C3' C 72.10 0.10 1 135 10 10 C C4' C 81.90 0.20 1 136 10 10 C C5 C 97.50 0.10 1 137 10 10 C C5' C 64.60 0.20 1 138 10 10 C C6 C 140.10 0.10 1 139 10 10 C P P -4.41 0.01 1 140 11 11 G H1' H 5.86 0.01 1 141 11 11 G H2' H 4.09 0.01 1 142 11 11 G H3' H 4.28 0.01 1 143 11 11 G H4' H 4.22 0.01 1 144 11 11 G H5' H 4.44 0.01 2 145 11 11 G H5'' H 4.03 0.01 2 146 11 11 G H8 H 7.60 0.01 1 147 11 11 G C1' C 91.30 0.20 1 148 11 11 G C2' C 77.80 0.10 1 149 11 11 G C3' C 70.40 0.10 1 150 11 11 G C4' C 83.90 0.10 1 151 11 11 G C5' C 65.60 0.20 1 152 11 11 G C8 C 137.30 0.10 1 153 11 11 G P P -3.99 0.01 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-31P HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA DUPLEX CONTAINING SINGLE ADENOSINE BULGE' 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 1 C H1' H 5.59 0.01 1 2 1 1 C H2' H 4.58 0.01 1 3 1 1 C H3' H 4.58 0.01 1 4 1 1 C H4' H 4.34 0.01 1 5 1 1 C H5 H 5.99 0.01 1 6 1 1 C H5' H 4.05 0.01 2 7 1 1 C H5'' H 3.93 0.01 2 8 1 1 C H6 H 8.07 0.01 1 9 1 1 C H41 H 8.16 0.01 2 10 1 1 C H42 H 7.01 0.01 2 11 1 1 C C1' C 93.80 0.20 1 12 1 1 C C2' C 75.50 0.10 1 13 1 1 C C3' C 73.70 0.10 1 14 1 1 C C4' C 84.40 0.10 1 15 1 1 C C5 C 98.90 0.10 1 16 1 1 C C5' C 62.00 0.10 1 17 1 1 C C6 C 142.80 0.10 1 18 2 2 G H1 H 13.18 0.01 1 19 2 2 G H1' H 5.80 0.01 1 20 2 2 G H2' H 4.63 0.01 1 21 2 2 G H3' H 4.71 0.01 1 22 2 2 G H4' H 4.52 0.01 1 23 2 2 G H5'' H 4.19 0.01 2 24 2 2 G H8 H 7.83 0.01 1 25 2 2 G C1' C 92.50 0.10 1 26 2 2 G C2' C 75.30 0.10 1 27 2 2 G C3' C 73.00 0.10 1 28 2 2 G C8 C 136.50 0.10 1 29 2 2 G P P -3.91 0.01 1 30 3 3 C H1' H 5.56 0.01 1 31 3 3 C H2' H 4.42 0.01 1 32 3 3 C H3' H 4.48 0.01 1 33 3 3 C H4' H 4.48 0.01 1 34 3 3 C H5 H 5.31 0.01 1 35 3 3 C H5' H 4.59 0.01 2 36 3 3 C H5'' H 4.14 0.01 2 37 3 3 C H6 H 7.77 0.01 1 38 3 3 C H41 H 8.63 0.01 2 39 3 3 C H42 H 6.89 0.01 2 40 3 3 C C1' C 94.00 0.20 1 41 3 3 C C2' C 75.40 0.10 1 42 3 3 C C3' C 72.30 0.10 1 43 3 3 C C4' C 82.00 0.20 1 44 3 3 C C5 C 97.20 0.10 1 45 3 3 C C6 C 141.30 0.10 1 46 3 3 C P P -4.42 0.01 1 47 4 4 U H1' H 5.58 0.01 1 48 4 4 U H2' H 4.54 0.01 1 49 4 4 U H3 H 14.14 0.01 1 50 4 4 U H3' H 4.55 0.01 1 51 4 4 U H4' H 4.46 0.01 1 52 4 4 U H5 H 5.45 0.01 1 53 4 4 U H5'' H 4.13 0.01 2 54 4 4 U H6 H 7.96 0.01 1 55 4 4 U C1' C 93.80 0.20 1 56 4 4 U C2' C 75.20 0.10 1 57 4 4 U C3' C 72.10 0.10 1 58 4 4 U C4' C 82.00 0.20 1 59 4 4 U C5 C 103.30 0.20 1 60 4 4 U C6 C 142.00 0.10 1 61 4 4 U P P -4.44 0.01 1 62 5 5 C H1' H 5.66 0.01 1 63 5 5 C H2' H 4.32 0.01 1 64 5 5 C H3' H 4.52 0.01 1 65 5 5 C H4' H 4.46 0.01 1 66 5 5 C H5 H 5.74 0.01 1 67 5 5 C H5' H 4.58 0.01 2 68 5 5 C H5'' H 4.13 0.01 2 69 5 5 C H6 H 7.92 0.01 1 70 5 5 C H41 H 8.38 0.01 2 71 5 5 C H42 H 7.08 0.01 2 72 5 5 C C1' C 94.10 0.10 1 73 5 5 C C2' C 75.70 0.10 1 74 5 5 C C3' C 72.40 0.10 1 75 5 5 C C4' C 82.00 0.20 1 76 5 5 C C5 C 97.70 0.10 1 77 5 5 C C6 C 141.90 0.20 1 78 5 5 C P P -4.35 0.01 1 79 6 6 U H1' H 5.61 0.01 1 80 6 6 U H2' H 4.38 0.01 1 81 6 6 U H3 H 13.94 0.01 1 82 6 6 U H3' H 4.56 0.01 1 83 6 6 U H4' H 4.42 0.01 1 84 6 6 U H5 H 5.62 0.01 1 85 6 6 U H5'' H 4.11 0.01 2 86 6 6 U H6 H 7.91 0.01 1 87 6 6 U C1' C 93.80 0.20 1 88 6 6 U C2' C 75.40 0.10 1 89 6 6 U C4' C 82.30 0.20 1 90 6 6 U C5 C 103.50 0.10 1 91 6 6 U C6 C 142.00 0.20 1 92 6 6 U P P -4.49 0.01 1 93 7 7 C H1' H 5.35 0.01 1 94 7 7 C H2' H 4.31 0.01 1 95 7 7 C H3' H 4.50 0.01 1 96 7 7 C H4' H 4.41 0.01 1 97 7 7 C H5 H 5.79 0.01 1 98 7 7 C H5'' H 4.09 0.01 2 99 7 7 C H6 H 7.93 0.01 1 100 7 7 C H41 H 8.43 0.01 2 101 7 7 C H42 H 7.17 0.01 2 102 7 7 C C1' C 93.90 0.10 1 103 7 7 C C2' C 75.10 0.10 1 104 7 7 C C5 C 97.60 0.10 1 105 7 7 C C6 C 142.10 0.20 1 106 7 7 C P P -4.52 0.01 1 107 8 8 U H1' H 5.35 0.01 1 108 8 8 U H2' H 4.52 0.01 1 109 8 8 U H3 H 13.64 0.01 1 110 8 8 U H3' H 4.59 0.01 1 111 8 8 U H4' H 4.37 0.01 1 112 8 8 U H5 H 5.47 0.01 1 113 8 8 U H5'' H 4.08 0.01 2 114 8 8 U H6 H 7.88 0.01 1 115 8 8 U C1' C 93.50 0.10 1 116 8 8 U C2' C 75.20 0.10 1 117 8 8 U C3' C 72.30 0.10 1 118 8 8 U C4' C 81.80 0.20 1 119 8 8 U C5 C 103.50 0.20 1 120 8 8 U C6 C 141.60 0.10 1 121 8 8 U P P -4.41 0.01 1 122 9 9 G H1 H 12.61 0.01 1 123 9 9 G H1' H 5.77 0.01 1 124 9 9 G H2' H 4.35 0.01 1 125 9 9 G H3' H 4.61 0.01 1 126 9 9 G H4' H 4.42 0.01 1 127 9 9 G H5'' H 4.08 0.01 2 128 9 9 G H8 H 7.72 0.01 1 129 9 9 G C1' C 92.70 0.10 1 130 9 9 G C2' C 75.40 0.10 1 131 9 9 G C4' C 81.90 0.20 1 132 9 9 G C8 C 136.30 0.10 1 133 9 9 G P P -4.14 0.01 1 134 10 10 C H1' H 5.67 0.01 1 135 10 10 C H2' H 3.95 0.01 1 136 10 10 C H3' H 4.10 0.01 1 137 10 10 C H4' H 4.14 0.01 1 138 10 10 C H5 H 5.23 0.01 1 139 10 10 C H5' H 4.48 0.01 2 140 10 10 C H5'' H 4.00 0.01 2 141 10 10 C H6 H 7.48 0.01 1 142 10 10 C H41 H 8.26 0.01 2 143 10 10 C H42 H 6.91 0.01 2 144 10 10 C C1' C 92.80 0.10 1 145 10 10 C C2' C 77.40 0.10 1 146 10 10 C C3' C 69.50 0.10 1 147 10 10 C C4' C 83.30 0.10 1 148 10 10 C C5 C 97.50 0.10 1 149 10 10 C C5' C 65.00 0.10 1 150 10 10 C C6 C 141.30 0.10 1 151 10 10 C P P -4.32 0.01 1 stop_ save_