data_7403 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CR7 terminal hairpin loop from human telomerase RNA ; _BMRB_accession_number 7403 _BMRB_flat_file_name bmr7403.str _Entry_type new _Submission_date 2007-08-30 _Accession_date 2007-10-01 _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 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" 178 "13C chemical shifts" 191 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7404 'U64 H/ACA snoRNA 3'' 7405 'U85 C/D-H/ACA' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_title 'Structural and functional characterization of human telomerase RNA processing and cajal body localization signals' _Citation_status published _Citation_type journal _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 _Page_first 869 _Page_last 881 _Year 2007 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name telomerase_RNA_CR7 loop_ _Mol_system_component_name _Mol_label 'Human telomerase RNA CR7 terminal hairpin loop' $Human_telomerase_RNA_CR7_terminal_hairpin_loop stop_ _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _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 U 9 ? ? ? ? 1_555 A G 15 ? ? ? A U 9 A G 15 1_555 ? ? ? ? ? ? ? hydrog1 hydrog ? ? ? A G 1 N1 ? ? ? 1_555 A C 24 N3 ? ? A G 1 A C 24 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog2 hydrog ? ? ? A G 1 N2 ? ? ? 1_555 A C 24 O2 ? ? A G 1 A C 24 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog3 hydrog ? ? ? A G 1 O6 ? ? ? 1_555 A C 24 N4 ? ? A G 1 A C 24 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog4 hydrog ? ? ? A G 2 N1 ? ? ? 1_555 A C 23 N3 ? ? A G 2 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog5 hydrog ? ? ? A G 2 N2 ? ? ? 1_555 A C 23 O2 ? ? A G 2 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog6 hydrog ? ? ? A G 2 O6 ? ? ? 1_555 A C 23 N4 ? ? A G 2 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog7 hydrog ? ? ? A A 3 N1 ? ? ? 1_555 A U 22 N3 ? ? A A 3 A U 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog8 hydrog ? ? ? A A 3 N6 ? ? ? 1_555 A U 22 O4 ? ? A A 3 A U 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog9 hydrog ? ? ? A G 4 N1 ? ? ? 1_555 A C 21 N3 ? ? A G 4 A C 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog10 hydrog ? ? ? A G 4 N2 ? ? ? 1_555 A C 21 O2 ? ? A G 4 A C 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog11 hydrog ? ? ? A G 4 O6 ? ? ? 1_555 A C 21 N4 ? ? A G 4 A C 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog12 hydrog ? ? ? A U 5 N3 ? ? ? 1_555 A A 20 N1 ? ? A U 5 A A 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog13 hydrog ? ? ? A U 5 O4 ? ? ? 1_555 A A 20 N6 ? ? A U 5 A A 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog14 hydrog ? ? ? A G 6 N1 ? ? ? 1_555 A C 19 N3 ? ? A G 6 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog15 hydrog ? ? ? A G 6 N2 ? ? ? 1_555 A C 19 O2 ? ? A G 6 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog16 hydrog ? ? ? A G 6 O6 ? ? ? 1_555 A C 19 N4 ? ? A G 6 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog17 hydrog ? ? ? A C 7 N3 ? ? ? 1_555 A G 18 N1 ? ? A C 7 A G 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog18 hydrog ? ? ? A C 7 N4 ? ? ? 1_555 A G 18 O6 ? ? A C 7 A G 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog19 hydrog ? ? ? A C 7 O2 ? ? ? 1_555 A G 18 N2 ? ? A C 7 A G 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog20 hydrog ? ? ? A C 8 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 8 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog21 hydrog ? ? ? A C 8 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 8 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog22 hydrog ? ? ? A C 8 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 8 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog23 hydrog ? ? ? A U 9 N3 ? ? ? 1_555 A G 15 O6 ? ? A U 9 A G 15 1_555 ? ? ? ? ? ? TYPE_28_PAIR hydrog24 hydrog ? ? ? A U 9 O2 ? ? ? 1_555 A G 15 N1 ? ? A U 9 A G 15 1_555 ? ? ? ? ? ? TYPE_28_PAIR ; save_ ######################## # Monomeric polymers # ######################## save_Human_telomerase_RNA_CR7_terminal_hairpin_loop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Human_telomerase_RNA_CR7_terminal_hairpin_loop _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; GGAGUGCCUGAGCUGUGGCA CUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 U 6 G 7 C 8 C 9 U 10 G 11 A 12 G 13 C 14 U 15 G 16 U 17 G 18 G 19 C 20 A 21 C 22 U 23 C 24 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 $Human_telomerase_RNA_CR7_terminal_hairpin_loop 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_telomerase_RNA_CR7_terminal_hairpin_loop '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, 200 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_telomerase_RNA_CR7_terminal_hairpin_loop 1 mM 'natural abundance' 'sodium phosphate' 10 mM . KCl 200 mM . EDTA 50 uM . 'sodium azide' 0.2 % . H2O 95 % . D2O 5 % . 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, 200 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_telomerase_RNA_CR7_terminal_hairpin_loop 1 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM . KCl 200 mM . EDTA 50 uM . 'sodium azide' 0.2 % . H2O 95 % . D2O 5 % . 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_ save_ save_XWINNMR2 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 3.108 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'data analysis' stop_ 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_ save_ save_X-PLOR2 _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task refinement stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DPX _Field_strength 500 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 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 loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . 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 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 H2O H 1 protons ppm . internal direct ? ? ? DSS C 13 'methyl protons' ppm 0.0 . indirect ? ? ? 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 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 telomerase RNA CR7 terminal hairpin loop' 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 12.533 . 1 2 1 1 G H1' H 5.789 . 1 3 1 1 G H2' H 4.896 . 1 4 1 1 G H3' H 4.657 . 1 5 1 1 G H4' H 4.521 . 1 6 1 1 G H5' H 4.413 . 1 7 1 1 G H5'' H 4.240 . 1 8 1 1 G H8 H 8.089 . 1 9 1 1 G C1' C 90.120 . 1 10 1 1 G C2' C 72.544 . 1 11 1 1 G C3' C 71.844 . 1 12 1 1 G C4' C 80.681 . 1 13 1 1 G C5 C 116.298 . 1 14 1 1 G C5' C 64.544 . 1 15 1 1 G C6 C 160.980 . 1 16 1 1 G C8 C 136.647 . 1 17 1 1 G N1 N 146.712 . 1 18 1 1 G N7 N 230.826 . 1 19 1 1 G N9 N 168.198 . 1 20 2 2 G H1 H 12.201 . 1 21 2 2 G H1' H 5.871 . 1 22 2 2 G H2' H 4.652 . 1 23 2 2 G H3' H 4.582 . 1 24 2 2 G H4' H 4.521 . 1 25 2 2 G H8 H 7.486 . 1 26 2 2 G C1' C 90.444 . 1 27 2 2 G C2' C 72.941 . 1 28 2 2 G C4' C 79.868 . 1 29 2 2 G C5 C 116.181 . 1 30 2 2 G C6 C 159.950 . 1 31 2 2 G C8 C 134.466 . 1 32 2 2 G N1 N 146.405 . 1 33 2 2 G N2 N 73.838 . 1 34 2 2 G N7 N 232.945 . 1 35 2 2 G N9 N 168.872 . 1 36 3 3 A H1' H 5.960 . 1 37 3 3 A H2 H 7.457 . 1 38 3 3 A H2' H 4.712 . 1 39 3 3 A H3' H 4.623 . 1 40 3 3 A H4' H 4.491 . 1 41 3 3 A H8 H 7.716 . 1 42 3 3 A C1' C 90.446 . 1 43 3 3 A C2 C 150.856 . 1 44 3 3 A C2' C 73.199 . 1 45 3 3 A C3' C 70.155 . 1 46 3 3 A C4 C 146.193 . 1 47 3 3 A C4' C 79.401 . 1 48 3 3 A C5 C 118.549 . 1 49 3 3 A C6 C 155.340 . 1 50 3 3 A C8 C 136.787 . 1 51 3 3 A N1 N 220.315 . 1 52 3 3 A N3 N 211.671 . 1 53 3 3 A N6 N 82.687 . 1 54 3 3 A N7 N 229.477 . 1 55 3 3 A N9 N 170.029 . 1 56 4 4 G H1 H 13.210 . 1 57 4 4 G H1' H 5.544 . 1 58 4 4 G H2' H 4.362 . 1 59 4 4 G H3' H 4.434 . 1 60 4 4 G H4' H 4.411 . 1 61 4 4 G H8 H 7.048 . 1 62 4 4 G C1' C 90.498 . 1 63 4 4 G C2' C 72.943 . 1 64 4 4 G C3' C 69.406 . 1 65 4 4 G C4' C 79.423 . 1 66 4 4 G C5 C 116.487 . 1 67 4 4 G C6 C 160.441 . 1 68 4 4 G C8 C 133.411 . 1 69 4 4 G N1 N 147.631 . 1 70 4 4 G N2 N 74.190 . 1 71 4 4 G N7 N 233.909 . 1 72 4 4 G N9 N 168.294 . 1 73 5 5 U H1' H 5.522 . 1 74 5 5 U H2' H 4.555 . 1 75 5 5 U H3 H 13.532 . 1 76 5 5 U H3' H 4.507 . 1 77 5 5 U H4' H 4.290 . 1 78 5 5 U H5 H 5.014 . 1 79 5 5 U H5' H 4.515 . 2 80 5 5 U H5'' H 4.035 . 2 81 5 5 U H6 H 7.656 . 1 82 5 5 U C1' C 90.929 . 1 83 5 5 U C2 C 150.041 . 1 84 5 5 U C2' C 72.820 . 1 85 5 5 U C3' C 69.447 . 1 86 5 5 U C4 C 166.372 . 1 87 5 5 U C4' C 80.114 . 1 88 5 5 U C5 C 100.632 . 1 89 5 5 U C5' C 61.810 . 1 90 5 5 U C6 C 138.476 . 1 91 5 5 U N3 N 161.646 . 1 92 6 6 G H1 H 12.382 . 1 93 6 6 G H1' H 5.785 . 1 94 6 6 G H2' H 4.428 . 1 95 6 6 G H8 H 7.686 . 1 96 6 6 G C1' C 89.257 . 1 97 6 6 G C2' C 73.340 . 1 98 6 6 G C5 C 116.487 . 1 99 6 6 G C6 C 159.901 . 1 100 6 6 G C8 C 133.622 . 1 101 6 6 G N1 N 147.281 . 1 102 6 6 G N2 N 74.659 . 1 103 6 6 G N7 N 234.005 . 1 104 6 6 G N9 N 168.969 . 1 105 7 7 C H1' H 5.432 . 1 106 7 7 C H2' H 4.335 . 1 107 7 7 C H3' H 4.309 . 1 108 7 7 C H4' H 4.355 . 1 109 7 7 C H5 H 5.175 . 1 110 7 7 C H6 H 7.612 . 1 111 7 7 C H41 H 8.359 . 2 112 7 7 C H42 H 6.676 . 2 113 7 7 C C1' C 91.199 . 1 114 7 7 C C2 C 156.257 . 1 115 7 7 C C2' C 69.674 . 1 116 7 7 C C3' C 72.968 . 1 117 7 7 C C4 C 165.582 . 1 118 7 7 C C4' C 79.154 . 1 119 7 7 C C5 C 94.652 . 1 120 7 7 C C6 C 139.320 . 1 121 7 7 C N4 N 99.211 . 1 122 8 8 C H1' H 5.450 . 1 123 8 8 C H2' H 4.430 . 1 124 8 8 C H3' H 4.210 . 1 125 8 8 C H4' H 4.344 . 1 126 8 8 C H5 H 5.419 . 1 127 8 8 C H6 H 7.528 . 1 128 8 8 C H41 H 8.055 . 2 129 8 8 C H42 H 6.655 . 2 130 8 8 C C1' C 91.522 . 1 131 8 8 C C2 C 156.257 . 1 132 8 8 C C2' C 73.182 . 1 133 8 8 C C3' C 69.817 . 1 134 8 8 C C4 C 165.965 . 1 135 8 8 C C4' C 79.343 . 1 136 8 8 C C5 C 95.567 . 1 137 8 8 C C6 C 138.335 . 1 138 8 8 C N4 N 98.039 . 1 139 9 9 U H1' H 5.505 . 1 140 9 9 U H2' H 4.182 . 1 141 9 9 U H3 H 10.894 . 1 142 9 9 U H3' H 4.543 . 1 143 9 9 U H4' H 4.302 . 1 144 9 9 U H5 H 5.570 . 1 145 9 9 U H6 H 7.690 . 1 146 9 9 U C1' C 91.307 . 1 147 9 9 U C2 C 151.569 . 1 148 9 9 U C2' C 73.158 . 1 149 9 9 U C3' C 72.764 . 1 150 9 9 U C4 C 164.665 . 1 151 9 9 U C4' C 80.154 . 1 152 9 9 U C5 C 102.460 . 1 153 9 9 U C6 C 141.008 . 1 154 9 9 U N3 N 157.004 . 1 155 10 10 G H1' H 5.355 . 1 156 10 10 G H2' H 4.400 . 1 157 10 10 G H3' H 4.558 . 1 158 10 10 G H4' H 4.298 . 1 159 10 10 G H8 H 7.621 . 1 160 10 10 G C1' C 89.303 . 1 161 10 10 G C2' C 72.818 . 1 162 10 10 G C3' C 71.921 . 1 163 10 10 G C4' C 80.761 . 1 164 10 10 G C5 C 115.959 . 1 165 10 10 G C6 C 159.313 . 1 166 10 10 G C8 C 135.451 . 1 167 10 10 G N7 N 235.161 . 1 168 10 10 G N9 N 168.680 . 1 169 11 11 A H1' H 5.788 . 1 170 11 11 A H2 H 7.852 . 1 171 11 11 A H2' H 4.451 . 1 172 11 11 A H3' H 4.545 . 1 173 11 11 A H4' H 4.438 . 1 174 11 11 A H5' H 4.092 . 2 175 11 11 A H5'' H 4.479 . 2 176 11 11 A H8 H 7.952 . 1 177 11 11 A H61 H 6.353 . 2 178 11 11 A C1' C 89.689 . 1 179 11 11 A C2 C 152.896 . 1 180 11 11 A C2' C 73.291 . 1 181 11 11 A C3' C 70.092 . 1 182 11 11 A C4 C 147.518 . 1 183 11 11 A C4' C 79.491 . 1 184 11 11 A C5 C 118.125 . 1 185 11 11 A C5' C 62.903 . 1 186 11 11 A C6 C 155.162 . 1 187 11 11 A C8 C 137.631 . 1 188 11 11 A N1 N 225.045 . 1 189 11 11 A N3 N 213.286 . 1 190 11 11 A N6 N 80.167 . 1 191 11 11 A N7 N 230.633 . 1 192 11 11 A N9 N 168.872 . 1 193 12 12 G H1' H 5.562 . 1 194 12 12 G H2' H 4.788 . 1 195 12 12 G H3' H 4.621 . 1 196 12 12 G H4' H 4.342 . 1 197 12 12 G H5' H 4.223 . 1 198 12 12 G H5'' H 4.017 . 1 199 12 12 G H8 H 7.630 . 1 200 12 12 G C1' C 87.532 . 1 201 12 12 G C2' C 71.631 . 1 202 12 12 G C3' C 74.964 . 1 203 12 12 G C4' C 83.106 . 1 204 12 12 G C5 C 115.890 . 1 205 12 12 G C5' C 65.052 . 1 206 12 12 G C6 C 159.460 . 1 207 12 12 G C8 C 138.265 . 1 208 12 12 G N7 N 234.391 . 1 209 12 12 G N9 N 164.151 . 1 210 13 13 C H1' H 5.915 . 1 211 13 13 C H2' H 4.541 . 1 212 13 13 C H3' H 4.268 . 1 213 13 13 C H4' H 4.353 . 1 214 13 13 C H5 H 5.870 . 1 215 13 13 C H5' H 4.144 . 2 216 13 13 C H5'' H 4.026 . 2 217 13 13 C H6 H 7.705 . 1 218 13 13 C H41 H 6.990 . 2 219 13 13 C H42 H 6.484 . 2 220 13 13 C C1' C 88.772 . 1 221 13 13 C C2 C 157.608 . 1 222 13 13 C C2' C 73.577 . 1 223 13 13 C C3' C 74.276 . 1 224 13 13 C C4 C 165.862 . 1 225 13 13 C C4' C 82.036 . 1 226 13 13 C C5 C 96.622 . 1 227 13 13 C C5' C 64.871 . 1 228 13 13 C C6 C 138.405 . 1 229 13 13 C N4 N 94.178 . 1 230 14 14 U H1' H 5.811 . 1 231 14 14 U H2' H 4.315 . 1 232 14 14 U H3' H 4.578 . 1 233 14 14 U H4' H 4.337 . 1 234 14 14 U H5 H 5.783 . 1 235 14 14 U H5' H 4.138 . 2 236 14 14 U H5'' H 4.050 . 2 237 14 14 U H6 H 7.772 . 1 238 14 14 U C1' C 89.419 . 1 239 14 14 U C2 C 151.442 . 1 240 14 14 U C2' C 73.177 . 1 241 14 14 U C3' C 73.457 . 1 242 14 14 U C4 C 165.837 . 1 243 14 14 U C4' C 81.821 . 1 244 14 14 U C5 C 102.531 . 1 245 14 14 U C5' C 64.841 . 1 246 14 14 U C6 C 141.078 . 1 247 15 15 G H1 H 10.151 . 1 248 15 15 G H1' H 5.821 . 1 249 15 15 G H2' H 4.810 . 1 250 15 15 G H3' H 4.801 . 1 251 15 15 G H4' H 4.367 . 1 252 15 15 G H5' H 4.267 . 2 253 15 15 G H5'' H 4.125 . 2 254 15 15 G H8 H 7.963 . 1 255 15 15 G C1' C 87.316 . 1 256 15 15 G C2' C 72.699 . 1 257 15 15 G C3' C 74.747 . 1 258 15 15 G C4' C 82.714 . 1 259 15 15 G C5 C 115.950 . 1 260 15 15 G C5' C 65.077 . 1 261 15 15 G C6 C 159.362 . 1 262 15 15 G C8 C 138.124 . 1 263 15 15 G N1 N 145.441 . 1 264 15 15 G N7 N 235.739 . 1 265 15 15 G N9 N 166.849 . 1 266 16 16 U H1' H 5.577 . 1 267 16 16 U H2' H 4.517 . 1 268 16 16 U H3' H 4.533 . 1 269 16 16 U H4' H 4.414 . 1 270 16 16 U H5 H 5.654 . 1 271 16 16 U H5' H 4.313 . 2 272 16 16 U H5'' H 4.156 . 2 273 16 16 U H6 H 7.825 . 1 274 16 16 U C1' C 90.552 . 1 275 16 16 U C2 C 150.295 . 1 276 16 16 U C2' C 72.869 . 1 277 16 16 U C3' C 71.498 . 1 278 16 16 U C4 C 165.761 . 1 279 16 16 U C4' C 80.870 . 1 280 16 16 U C5 C 101.757 . 1 281 16 16 U C5' C 63.874 . 1 282 16 16 U C6 C 140.727 . 1 283 17 17 G H1 H 12.499 . 1 284 17 17 G H1' H 5.686 . 1 285 17 17 G H2' H 4.659 . 1 286 17 17 G H3' H 4.518 . 1 287 17 17 G H4' H 4.452 . 1 288 17 17 G H8 H 7.661 . 1 289 17 17 G H21 H 8.413 . 2 290 17 17 G H22 H 6.051 . 2 291 17 17 G C1' C 89.689 . 1 292 17 17 G C2' C 73.086 . 1 293 17 17 G C3' C 71.169 . 1 294 17 17 G C4' C 80.135 . 1 295 17 17 G C5 C 116.059 . 1 296 17 17 G C6 C 159.999 . 1 297 17 17 G C8 C 134.255 . 1 298 17 17 G N1 N 147.106 . 1 299 17 17 G N2 N 75.010 . 1 300 17 17 G N7 N 234.872 . 1 301 17 17 G N9 N 168.872 . 1 302 18 18 G H1 H 12.859 . 1 303 18 18 G H1' H 5.746 . 1 304 18 18 G H2' H 4.473 . 1 305 18 18 G H3' H 4.410 . 1 306 18 18 G H4' H 4.470 . 1 307 18 18 G H8 H 7.274 . 1 308 18 18 G C1' C 90.767 . 1 309 18 18 G C2' C 72.813 . 1 310 18 18 G C3' C 70.621 . 1 311 18 18 G C4' C 79.745 . 1 312 18 18 G C5 C 116.355 . 1 313 18 18 G C6 C 160.391 . 1 314 18 18 G C8 C 133.974 . 1 315 18 18 G N1 N 148.069 . 1 316 18 18 G N7 N 232.753 . 1 317 18 18 G N9 N 168.198 . 1 318 19 19 C H1' H 5.480 . 1 319 19 19 C H2' H 4.519 . 1 320 19 19 C H3' H 4.498 . 1 321 19 19 C H4' H 4.371 . 1 322 19 19 C H5 H 5.202 . 1 323 19 19 C H6 H 7.655 . 1 324 19 19 C H41 H 8.381 . 2 325 19 19 C H42 H 6.687 . 2 326 19 19 C C1' C 91.307 . 1 327 19 19 C C2 C 156.232 . 1 328 19 19 C C2' C 69.371 . 1 329 19 19 C C3' C 72.864 . 1 330 19 19 C C4 C 165.888 . 1 331 19 19 C C4' C 79.366 . 1 332 19 19 C C5 C 94.793 . 1 333 19 19 C C6 C 138.616 . 1 334 19 19 C N4 N 97.922 . 1 335 20 20 A H1' H 5.909 . 1 336 20 20 A H2 H 7.367 . 1 337 20 20 A H2' H 4.538 . 1 338 20 20 A H3' H 4.629 . 1 339 20 20 A H4' H 4.467 . 1 340 20 20 A H5' H 4.131 . 2 341 20 20 A H5'' H 4.025 . 2 342 20 20 A H8 H 8.022 . 1 343 20 20 A C1' C 90.444 . 1 344 20 20 A C2 C 150.785 . 1 345 20 20 A C2' C 74.313 . 1 346 20 20 A C3' C 70.230 . 1 347 20 20 A C4 C 146.856 . 1 348 20 20 A C4' C 79.419 . 1 349 20 20 A C5 C 118.224 . 1 350 20 20 A C5' C 65.056 . 1 351 20 20 A C6 C 155.620 . 1 352 20 20 A C8 C 136.928 . 1 353 20 20 A N1 N 221.554 . 1 354 20 20 A N3 N 212.153 . 1 355 20 20 A N6 N 83.976 . 1 356 20 20 A N7 N 229.573 . 1 357 20 20 A N9 N 170.125 . 1 358 21 21 C H1' H 5.362 . 1 359 21 21 C H2' H 4.181 . 1 360 21 21 C H3' H 4.204 . 1 361 21 21 C H4' H 4.370 . 1 362 21 21 C H5 H 5.216 . 1 363 21 21 C H6 H 7.514 . 1 364 21 21 C H41 H 8.219 . 2 365 21 21 C H42 H 6.849 . 2 366 21 21 C C1' C 91.268 . 1 367 21 21 C C2 C 156.155 . 1 368 21 21 C C2' C 73.122 . 1 369 21 21 C C3' C 69.691 . 1 370 21 21 C C4 C 165.430 . 1 371 21 21 C C4' C 79.278 . 1 372 21 21 C C5 C 94.723 . 1 373 21 21 C C6 C 138.405 . 1 374 21 21 C N4 N 98.391 . 1 375 22 22 U H1' H 5.510 . 1 376 22 22 U H2' H 4.464 . 1 377 22 22 U H3 H 13.896 . 1 378 22 22 U H5 H 5.316 . 1 379 22 22 U H6 H 7.870 . 1 380 22 22 U C1' C 91.307 . 1 381 22 22 U C2 C 150.321 . 1 382 22 22 U C2' C 72.710 . 1 383 22 22 U C4 C 166.729 . 1 384 22 22 U C5 C 100.772 . 1 385 22 22 U C6 C 139.742 . 1 386 22 22 U N3 N 162.128 . 1 387 23 23 C H1' H 5.549 . 1 388 23 23 C H2' H 4.123 . 1 389 23 23 C H3' H 4.348 . 1 390 23 23 C H4' H 4.375 . 1 391 23 23 C H5 H 5.608 . 1 392 23 23 C H5' H 4.417 . 2 393 23 23 C H5'' H 4.002 . 2 394 23 23 C H6 H 7.867 . 1 395 23 23 C H41 H 8.176 . 2 396 23 23 C H42 H 6.773 . 2 397 23 23 C C1' C 91.738 . 1 398 23 23 C C2 C 156.130 . 1 399 23 23 C C2' C 73.195 . 1 400 23 23 C C3' C 70.290 . 1 401 23 23 C C4 C 165.837 . 1 402 23 23 C C4' C 79.360 . 1 403 23 23 C C5 C 94.793 . 1 404 23 23 C C5' C 63.354 . 1 405 23 23 C C6 C 139.460 . 1 406 23 23 C N4 N 97.629 . 1 407 24 24 C H1' H 5.678 . 1 408 24 24 C H2' H 3.942 . 1 409 24 24 C H3' H 4.125 . 1 410 24 24 C H4' H 4.113 . 1 411 24 24 C H5 H 5.437 . 1 412 24 24 C H6 H 7.613 . 1 413 24 24 C H41 H 8.060 . 2 414 24 24 C H42 H 6.777 . 2 415 24 24 C C1' C 90.390 . 1 416 24 24 C C2 C 157.251 . 1 417 24 24 C C2' C 75.032 . 1 418 24 24 C C3' C 67.109 . 1 419 24 24 C C4 C 166.194 . 1 420 24 24 C C4' C 81.010 . 1 421 24 24 C C5 C 95.497 . 1 422 24 24 C C6 C 138.687 . 1 423 24 24 C N4 N 96.633 . 1 stop_ save_