data_7405 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the U85 C/D-H/ACA scaRNA 5' terminal hairpin loop ; _BMRB_accession_number 7405 _BMRB_flat_file_name bmr7405.str _Entry_type original _Submission_date 2007-08-30 _Accession_date 2007-10-01 _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 Feigon J. . . 2 Theimer C. A. . 3 Chim N. . . 4 Breece K. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 "13C chemical shifts" 117 "15N chemical shifts" 16 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-26 original author . stop_ _Original_release_date 2008-06-26 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional characterization of human telomerase RNA processing and cajal body localization signals' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17889661 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Theimer C. A. . 2 Jady B. E. . 3 Chim N. . . 4 Richard P. . . 5 Breece K. E. . 6 Kiss T. . . 7 Feigon J. . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 27 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 869 _Page_last 881 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human U85 C/D-H/ACA scaRNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human U85 C/D-H/ACA scaRNA' $Human_U85_C-D-H_ACA_scaRNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; _struct_conn.id _struct_conn.conn_type_id _struct_conn.ndb_PDB_id _struct_conn.ndb_ptnr1_mod_name _struct_conn.ndb_ptnr1_replaced_atom _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.ndb_ptnr1_label_alt_loc _struct_conn.ndb_ptnr1_label_ins_code _struct_conn.ndb_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.ndb_ptnr2_label_alt_loc _struct_conn.ndb_ptnr2_label_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.ndb_ptnr3_label_atom_id _struct_conn.ndb_ptnr3_label_seq_id _struct_conn.ndb_ptnr3_label_comp_id _struct_conn.ndb_ptnr3_label_asym_id _struct_conn.ndb_ptnr3_label_alt_loc _struct_conn.ndb_ptnr3_label_ins_code _struct_conn.details mismat1 mismat ? ? ? A G 7 ? ? ? ? 1_555 A A 12 ? ? ? A G 7 A A 12 1_555 ? ? ? ? ? ? ? mismat2 mismat ? ? ? A G 9 ? ? ? ? 1_555 A U 10 ? ? ? A G 9 A U 10 1_555 ? ? ? ? ? ? ? hydrog1 hydrog ? ? ? A G 1 N1 ? ? ? 1_555 A C 18 N3 ? ? A G 1 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog2 hydrog ? ? ? A G 1 N2 ? ? ? 1_555 A C 18 O2 ? ? A G 1 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog3 hydrog ? ? ? A G 1 O6 ? ? ? 1_555 A C 18 N4 ? ? A G 1 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog4 hydrog ? ? ? A G 2 N1 ? ? ? 1_555 A C 17 N3 ? ? A G 2 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog5 hydrog ? ? ? A G 2 N2 ? ? ? 1_555 A C 17 O2 ? ? A G 2 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog6 hydrog ? ? ? A G 2 O6 ? ? ? 1_555 A C 17 N4 ? ? A G 2 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog7 hydrog ? ? ? A C 3 N3 ? ? ? 1_555 A G 16 N1 ? ? A C 3 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog8 hydrog ? ? ? A C 3 N4 ? ? ? 1_555 A G 16 O6 ? ? A C 3 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog9 hydrog ? ? ? A C 3 O2 ? ? ? 1_555 A G 16 N2 ? ? A C 3 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog10 hydrog ? ? ? A A 4 N1 ? ? ? 1_555 A U 15 N3 ? ? A A 4 A U 15 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog11 hydrog ? ? ? A A 4 N6 ? ? ? 1_555 A U 15 O4 ? ? A A 4 A U 15 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog12 hydrog ? ? ? A C 5 N3 ? ? ? 1_555 A G 14 N1 ? ? A C 5 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog13 hydrog ? ? ? A C 5 N4 ? ? ? 1_555 A G 14 O6 ? ? A C 5 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog14 hydrog ? ? ? A C 5 O2 ? ? ? 1_555 A G 14 N2 ? ? A C 5 A G 14 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog15 hydrog ? ? ? A A 6 N1 ? ? ? 1_555 A U 13 N3 ? ? A A 6 A U 13 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog16 hydrog ? ? ? A A 6 N6 ? ? ? 1_555 A U 13 O4 ? ? A A 6 A U 13 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog17 hydrog ? ? ? A G 7 N2 ? ? ? 1_555 A A 12 N7 ? ? A G 7 A A 12 1_555 ? ? ? ? ? ? TYPE_11_PAIR hydrog18 hydrog ? ? ? A G 7 N3 ? ? ? 1_555 A A 12 N6 ? ? A G 7 A A 12 1_555 ? ? ? ? ? ? TYPE_11_PAIR hydrog19 hydrog ? ? ? A G 9 N1 ? ? ? 1_555 A U 10 O4 ? ? A G 9 A U 10 1_555 ? ? ? ? ? ? 'G-U MISPAIR' ; save_ ######################## # Monomeric polymers # ######################## save_Human_U85_C-D-H_ACA_scaRNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Human_U85_C-D-H_ACA_scaRNA _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 18 _Mol_residue_sequence GGCACAGAGUUAUGUGCC loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 A 5 C 6 A 7 G 8 A 9 G 10 U 11 U 12 A 13 U 14 G 15 U 16 G 17 C 18 C 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 $Human_U85_C-D-H_ACA_scaRNA human 9606 Eukaryota Metazoa Homo sapiens 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 $Human_U85_C-D-H_ACA_scaRNA 'chemical synthesis' . . . . . 'RNA is synthesized using in vitro transcription with T7 RNA polymerase and a partially double-stranded DNA template' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM unlabeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 100 mM KCl, 50 uM EDTA, 0.2% sodium azide; 95% H2O, 5% D2O or 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Human_U85_C-D-H_ACA_scaRNA 1 mM 'natural abundance' 'sodium phosphate' 10 mM . KCl 100 mM . EDTA 50 uM . 'sodium azide' 0.2 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM 13C, 15N labeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 100 mM KCl, 50 uM EDTA, 0.2% sodium azide; 95% H2O, 5% D2O or 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Human_U85_C-D-H_ACA_scaRNA 1 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM . KCl 100 mM . EDTA 50 uM . 'sodium azide' 0.2 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM 13C, 15N G-only labeled RNA, 10 mM sodium phosphate buffer, pH 6.3, 100 mM KCl, 50 uM EDTA, 0.2% sodium azide; 95% H2O, 5% D2O or 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Human_U85_C-D-H_ACA_scaRNA 1 mM '[U-13C; U-15N G-only]' 'sodium phosphate' 10 mM . KCl 100 mM . EDTA 50 uM . 'sodium azide' 0.2 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_XWINNMR2 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ _Details . save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 3.108 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR2 _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_(11echo_and_watergate)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY (11echo and watergate)' _Sample_label $sample_1 save_ save_2D_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_Natural_abundance_2D_13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'Natural abundance 2D 13C HSQC' _Sample_label $sample_1 save_ save_2D_15N-HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HMQC' _Sample_label $sample_2 save_ save_2D_15N-CPMG-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-CPMG-NOESY' _Sample_label $sample_2 save_ save_2D_JNN-HNN-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D JNN-HNN-COSY' _Sample_label $sample_2 save_ save_2D_13C-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-HSQC' _Sample_label $sample_2 save_ save_2D_HCCH-COCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-COCSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_31P_spin_echo_difference_HCCH/HSQC/HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 31P spin echo difference HCCH/HSQC/HMQC' _Sample_label $sample_2 save_ save_2D_CT-CE-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CT-CE-HSQC' _Sample_label $sample_2 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' 100 . mM pH 6.3 . pH pressure 1 . atm temperature 283 . 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . H2O H 1 protons ppm . internal direct . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 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 NOESY (11echo and watergate)' '2D NOESY' '2D TOCSY' 'Natural abundance 2D 13C HSQC' '2D 15N-HMQC' '2D 15N-CPMG-NOESY' '2D JNN-HNN-COSY' '2D 13C-HSQC' '2D HCCH-COCSY' '3D HCCH-TOCSY' '2D 31P spin echo difference HCCH/HSQC/HMQC' '2D CT-CE-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 'Human U85 C/D-H/ACA scaRNA' _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 1 G H1 H 12.925 . 1 2 1 1 G H1' H 5.741 . 1 3 1 1 G H2' H 4.870 . 1 4 1 1 G H3' H 4.661 . 1 5 1 1 G H4' H 4.492 . 1 6 1 1 G H5' H 4.211 . 2 7 1 1 G H5'' H 4.349 . 2 8 1 1 G H8 H 8.063 . 1 9 1 1 G C1' C 89.02 . 1 10 1 1 G C2' C 72.32 . 1 11 1 1 G C3' C 72.17 . 1 12 1 1 G C4' C 81.00 . 1 13 1 1 G C5' C 64.87 . 1 14 1 1 G C8 C 136.73 . 1 15 1 1 G N1 N 146.82 . 1 16 2 2 G H1 H 13.350 . 1 17 2 2 G H1' H 5.831 . 1 18 2 2 G H2' H 4.461 . 1 19 2 2 G H3' H 4.589 . 1 20 2 2 G H4' H 4.377 . 1 21 2 2 G H5' H 4.037 . 2 22 2 2 G H5'' H 4.402 . 2 23 2 2 G H8 H 7.587 . 1 24 2 2 G C1' C 90.43 . 1 25 2 2 G C2' C 70.51 . 1 26 2 2 G C3' C 73.32 . 1 27 2 2 G C4' C 79.44 . 1 28 2 2 G C5' C 63.09 . 1 29 2 2 G C8 C 134.51 . 1 30 2 2 G N1 N 147.94 . 1 31 3 3 C H1' H 5.434 . 1 32 3 3 C H2' H 4.488 . 1 33 3 3 C H3' H 4.422 . 1 34 3 3 C H4' H 4.369 . 1 35 3 3 C H5 H 5.210 . 1 36 3 3 C H5' H 4.040 . 2 37 3 3 C H5'' H 4.505 . 2 38 3 3 C H6 H 7.649 . 1 39 3 3 C H41 H 6.915 . 2 40 3 3 C H42 H 8.550 . 2 41 3 3 C C1' C 90.82 . 1 42 3 3 C C2' C 69.51 . 1 43 3 3 C C3' C 72.83 . 1 44 3 3 C C4' C 79.57 . 1 45 3 3 C C5 C 94.99 . 1 46 3 3 C C5' C 61.09 . 1 47 3 3 C C6 C 138.28 . 1 48 3 3 C N4 N 97.96 . 1 49 4 4 A H1' H 5.848 . 1 50 4 4 A H2 H 7.226 . 1 51 4 4 A H2' H 4.392 . 1 52 4 4 A H3' H 4.608 . 1 53 4 4 A H4' H 4.410 . 1 54 4 4 A H5' H 4.074 . 2 55 4 4 A H5'' H 4.456 . 2 56 4 4 A H8 H 7.964 . 1 57 4 4 A C1' C 90.58 . 1 58 4 4 A C2 C 150.76 . 1 59 4 4 A C2' C 73.17 . 1 60 4 4 A C3' C 69.94 . 1 61 4 4 A C4' C 79.33 . 1 62 4 4 A C5' C 62.41 . 1 63 4 4 A C8 C 136.91 . 1 64 4 4 A N6 N 83.92 . 1 65 5 5 C H1' H 5.295 . 1 66 5 5 C H2' H 4.296 . 1 67 5 5 C H3' H 4.382 . 1 68 5 5 C H4' H 4.296 . 1 69 5 5 C H5 H 5.107 . 1 70 5 5 C H5' H 3.989 . 2 71 5 5 C H5'' H 4.448 . 2 72 5 5 C H6 H 7.420 . 1 73 5 5 C H41 H 6.939 . 2 74 5 5 C H42 H 8.149 . 2 75 5 5 C C1' C 90.88 . 1 76 5 5 C C2' C 73.08 . 1 77 5 5 C C3' C 69.66 . 1 78 5 5 C C4' C 79.16 . 1 79 5 5 C C5 C 94.93 . 1 80 5 5 C C5' C 62.02 . 1 81 5 5 C C6 C 137.88 . 1 82 5 5 C N4 N 97.97 . 1 83 6 6 A H1' H 5.824 . 1 84 6 6 A H2 H 7.145 . 1 85 6 6 A H2' H 4.601 . 1 86 6 6 A H3' H 4.469 . 1 87 6 6 A H4' H 4.372 . 1 88 6 6 A H5' H 4.034 . 2 89 6 6 A H5'' H 4.404 . 2 90 6 6 A H8 H 7.760 . 1 91 6 6 A C1' C 90.20 . 1 92 6 6 A C2 C 150.45 . 1 93 6 6 A C2' C 73.33 . 1 94 6 6 A C3' C 70.50 . 1 95 6 6 A C4' C 79.44 . 1 96 6 6 A C5' C 63.09 . 1 97 6 6 A C8 C 137.77 . 1 98 6 6 A N6 N 81.81 . 1 99 7 7 G H1 H 10.202 . 1 100 7 7 G H1' H 4.980 . 1 101 7 7 G H2' H 4.308 . 1 102 7 7 G H3' H 4.281 . 1 103 7 7 G H4' H 4.310 . 1 104 7 7 G H5' H 3.939 . 2 105 7 7 G H5'' H 4.252 . 2 106 7 7 G H8 H 6.942 . 1 107 7 7 G H21 H 6.342 . 2 108 7 7 G C1' C 90.24 . 1 109 7 7 G C2' C 72.18 . 1 110 7 7 G C3' C 71.20 . 1 111 7 7 G C4' C 80.17 . 1 112 7 7 G C5' C 63.74 . 1 113 7 7 G C8 C 134.17 . 1 114 7 7 G N1 N 144.68 . 1 115 7 7 G N2 N 72.50 . 1 116 8 8 A H1' H 5.243 . 1 117 8 8 A H2 H 7.787 . 1 118 8 8 A H2' H 4.136 . 1 119 8 8 A H3' H 4.469 . 1 120 8 8 A H4' H 3.996 . 1 121 8 8 A H5' H 3.917 . 2 122 8 8 A H5'' H 4.266 . 2 123 8 8 A H8 H 7.646 . 1 124 8 8 A C1' C 90.19 . 1 125 8 8 A C2 C 153.84 . 1 126 8 8 A C2' C 73.19 . 1 127 8 8 A C3' C 70.69 . 1 128 8 8 A C4' C 80.52 . 1 129 8 8 A C5' C 62.65 . 1 130 8 8 A C8 C 137.24 . 1 131 8 8 A N6 N 79.80 . 1 132 9 9 G H1' H 5.410 . 1 133 9 9 G H2' H 4.698 . 1 134 9 9 G H3' H 4.544 . 1 135 9 9 G H4' H 4.245 . 1 136 9 9 G H5' H 4.150 . 2 137 9 9 G H5'' H 3.833 . 2 138 9 9 G H8 H 7.451 . 1 139 9 9 G C1' C 87.45 . 1 140 9 9 G C2' C 70.69 . 1 141 9 9 G C3' C 75.05 . 1 142 9 9 G C4' C 82.45 . 1 143 9 9 G C5' C 64.08 . 1 144 9 9 G C8 C 138.71 . 1 145 10 10 U H1' H 5.875 . 1 146 10 10 U H2' H 4.274 . 1 147 10 10 U H3' H 4.515 . 1 148 10 10 U H4' H 4.361 . 1 149 10 10 U H5 H 5.772 . 1 150 10 10 U H5' H 3.984 . 2 151 10 10 U H5'' H 4.037 . 2 152 10 10 U H6 H 7.701 . 1 153 10 10 U C1' C 87.89 . 1 154 10 10 U C2' C 73.09 . 1 155 10 10 U C3' C 74.62 . 1 156 10 10 U C4' C 82.49 . 1 157 10 10 U C5 C 102.30 . 1 158 10 10 U C5' C 65.22 . 1 159 11 11 U H1' H 5.782 . 1 160 11 11 U H2' H 4.308 . 1 161 11 11 U H3 H 10.569 . 1 162 11 11 U H3' H 4.574 . 1 163 11 11 U H4' H 4.353 . 1 164 11 11 U H5 H 5.408 . 1 165 11 11 U H5' H 4.072 . 2 166 11 11 U H5'' H 4.147 . 2 167 11 11 U H6 H 7.448 . 1 168 11 11 U C1' C 89.51 . 1 169 11 11 U C2' C 73.15 . 1 170 11 11 U C3' C 73.52 . 1 171 11 11 U C4' C 81.861 . 1 172 11 11 U C5 C 102.78 . 1 173 11 11 U C5' C 65.19 . 1 174 11 11 U C6 C 136.70 . 1 175 12 12 A H1' H 6.098 . 1 176 12 12 A H2 H 8.254 . 1 177 12 12 A H2' H 4.779 . 1 178 12 12 A H3' H 4.748 . 1 179 12 12 A H4' H 4.518 . 1 180 12 12 A H5' H 4.177 . 2 181 12 12 A H5'' H 4.246 . 2 182 12 12 A H8 H 8.343 . 1 183 12 12 A H61 H 6.503 . 1 184 12 12 A C1' C 87.89 . 1 185 12 12 A C2 C 152.17 . 1 186 12 12 A C2' C 74.57 . 1 187 12 12 A C3' C 74.01 . 1 188 12 12 A C4' C 81.51 . 1 189 12 12 A C5' C 65.14 . 1 190 12 12 A C8 C 139.64 . 1 191 12 12 A N6 N 80.41 . 1 192 13 13 U H1' H 5.458 . 1 193 13 13 U H2' H 4.577 . 1 194 13 13 U H3 H 13.576 . 1 195 13 13 U H3' H 4.423 . 1 196 13 13 U H4' H 4.424 . 1 197 13 13 U H5 H 5.805 . 1 198 13 13 U H5' H 4.236 . 2 199 13 13 U H5'' H 4.268 . 2 200 13 13 U H6 H 7.866 . 1 201 13 13 U C1' C 90.32 . 1 202 13 13 U C2' C 72.44 . 1 203 13 13 U C3' C 71.71 . 1 204 13 13 U C4' C 80.66 . 1 205 13 13 U C5 C 102.87 . 1 206 13 13 U C5' C 65.23 . 1 207 13 13 U C6 C 140.61 . 1 208 13 13 U N3 N 162.47 . 1 209 14 14 G H1 H 12.341 . 1 210 14 14 G H1' H 5.757 . 1 211 14 14 G H2' H 4.391 . 1 212 14 14 G H3' H 4.516 . 1 213 14 14 G H4' H 4.424 . 1 214 14 14 G H5' H 4.107 . 2 215 14 14 G H5'' H 4.426 . 2 216 14 14 G H8 H 7.733 . 1 217 14 14 G C1' C 90.44 . 1 218 14 14 G C2' C 72.84 . 1 219 14 14 G C3' C 70.35 . 1 220 14 14 G C4' C 79.701 . 1 221 14 14 G C5' C 63.257 . 1 222 14 14 G N1 N 146.50 . 1 223 15 15 U H1' H 5.426 . 1 224 15 15 U H2' H 4.689 . 1 225 15 15 U H3 H 13.646 . 1 226 15 15 U H3' H 4.544 . 1 227 15 15 U H4' H 4.235 . 1 228 15 15 U H5 H 5.025 . 1 229 15 15 U H5' H 3.884 . 2 230 15 15 U H5'' H 4.136 . 2 231 15 15 U H6 H 7.702 . 1 232 15 15 U C1' C 87.48 . 1 233 15 15 U C2' C 71.319 . 1 234 15 15 U C3' C 75.60 . 1 235 15 15 U C4' C 82.05 . 1 236 15 15 U C5 C 100.70 . 1 237 15 15 U C5' C 64.83 . 1 238 15 15 U C6 C 138.78 . 1 239 15 15 U N3 N 161.61 . 1 240 16 16 G H1 H 12.630 . 1 241 16 16 G H1' H 5.695 . 1 242 16 16 G H2' H 4.382 . 1 243 16 16 G H3' H 4.491 . 1 244 16 16 G H4' H 4.392 . 1 245 16 16 G H5' H 4.049 . 2 246 16 16 G H5'' H 4.425 . 2 247 16 16 G H8 H 7.604 . 1 248 16 16 G C1' C 90.19 . 1 249 16 16 G C2' C 72.91 . 1 250 16 16 G C3' C 70.26 . 1 251 16 16 G C4' C 79.30 . 1 252 16 16 G C5' C 62.91 . 1 253 16 16 G C8 C 133.58 . 1 254 16 16 G N1 N 147.38 . 1 255 17 17 C H1' H 5.376 . 1 256 17 17 C H2' H 4.145 . 1 257 17 17 C H3' H 4.334 . 1 258 17 17 C H4' H 4.295 . 1 259 17 17 C H5 H 5.145 . 1 260 17 17 C H5' H 3.968 . 2 261 17 17 C H5'' H 4.454 . 2 262 17 17 C H6 H 7.577 . 1 263 17 17 C H41 H 6.942 . 2 264 17 17 C H42 H 8.566 . 2 265 17 17 C C1' C 91.56 . 1 266 17 17 C C2' C 73.11 . 1 267 17 17 C C3' C 69.43 . 1 268 17 17 C C4' C 79.36 . 1 269 17 17 C C5 C 94.58 . 1 270 17 17 C C5' C 62.02 . 1 271 17 17 C N4 N 98.99 . 1 272 18 18 C H1' H 5.660 . 1 273 18 18 C H2' H 3.903 . 1 274 18 18 C H3' H 4.084 . 1 275 18 18 C H4' H 4.069 . 1 276 18 18 C H5 H 5.429 . 1 277 18 18 C H5' H 3.933 . 2 278 18 18 C H5'' H 4.390 . 2 279 18 18 C H6 H 7.570 . 1 280 18 18 C H41 H 7.023 . 2 281 18 18 C H42 H 8.428 . 2 282 18 18 C C1' C 90.54 . 1 283 18 18 C C2' C 75.09 . 1 284 18 18 C C3' C 67.08 . 1 285 18 18 C C4' C 80.74 . 1 286 18 18 C C5 C 95.79 . 1 287 18 18 C C5' C 62.56 . 1 288 18 18 C C6 C 143.65 . 1 289 18 18 C N4 N 96.97 . 1 stop_ save_