data_7404 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the U64 H/ACA snoRNA 3' terminal hairpin loop ; _BMRB_accession_number 7404 _BMRB_flat_file_name bmr7404.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" 188 "13C chemical shifts" 127 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7403 CR7 7405 'U85 C/D-H/ACA' 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 U64 H/ACA snoRNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human U64 H/ACA snoRNA' $Human_U64_H-ACA_snoRNA 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 U 9 ? ? ? ? 1_555 A G 14 ? ? ? A U 9 A G 14 1_555 ? ? ? ? ? ? ? mismat2 mismat ? ? ? A A 11 ? ? ? ? 1_555 A G 14 ? ? ? A A 11 A G 14 1_555 ? ? ? ? ? ? ? hydrog1 hydrog ? ? ? A G 1 N1 ? ? ? 1_555 A C 23 N3 ? ? A G 1 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog2 hydrog ? ? ? A G 1 N2 ? ? ? 1_555 A C 23 O2 ? ? A G 1 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog3 hydrog ? ? ? A G 1 O6 ? ? ? 1_555 A C 23 N4 ? ? A G 1 A C 23 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog4 hydrog ? ? ? A G 2 N1 ? ? ? 1_555 A C 22 N3 ? ? A G 2 A C 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog5 hydrog ? ? ? A G 2 N2 ? ? ? 1_555 A C 22 O2 ? ? A G 2 A C 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog6 hydrog ? ? ? A G 2 O6 ? ? ? 1_555 A C 22 N4 ? ? A G 2 A C 22 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog7 hydrog ? ? ? A A 3 N1 ? ? ? 1_555 A U 21 N3 ? ? A A 3 A U 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog8 hydrog ? ? ? A A 3 N6 ? ? ? 1_555 A U 21 O4 ? ? A A 3 A U 21 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog9 hydrog ? ? ? A G 4 N1 ? ? ? 1_555 A C 20 N3 ? ? A G 4 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog10 hydrog ? ? ? A G 4 N2 ? ? ? 1_555 A C 20 O2 ? ? A G 4 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog11 hydrog ? ? ? A G 4 O6 ? ? ? 1_555 A C 20 N4 ? ? A G 4 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog12 hydrog ? ? ? A U 5 N3 ? ? ? 1_555 A A 19 N1 ? ? A U 5 A A 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog13 hydrog ? ? ? A U 5 O4 ? ? ? 1_555 A A 19 N6 ? ? A U 5 A A 19 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog14 hydrog ? ? ? A G 6 N1 ? ? ? 1_555 A C 18 N3 ? ? A G 6 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog15 hydrog ? ? ? A G 6 N2 ? ? ? 1_555 A C 18 O2 ? ? A G 6 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog16 hydrog ? ? ? A G 6 O6 ? ? ? 1_555 A C 18 N4 ? ? A G 6 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog17 hydrog ? ? ? A C 7 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 7 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog18 hydrog ? ? ? A C 7 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 7 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog19 hydrog ? ? ? A C 7 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 7 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog20 hydrog ? ? ? A C 8 N3 ? ? ? 1_555 A G 16 N1 ? ? A C 8 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog21 hydrog ? ? ? A C 8 N4 ? ? ? 1_555 A G 16 O6 ? ? A C 8 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog22 hydrog ? ? ? A C 8 O2 ? ? ? 1_555 A G 16 N2 ? ? A C 8 A G 16 1_555 ? ? ? ? ? ? WATSON-CRICK hydrog23 hydrog ? ? ? A U 9 O2 ? ? ? 1_555 A G 14 N1 ? ? A U 9 A G 14 1_555 ? ? ? ? ? ? 'U-G MISPAIR' hydrog24 hydrog ? ? ? A A 11 N6 ? ? ? 1_555 A G 14 O6 ? ? A A 11 A G 14 1_555 ? ? ? ? ? ? 'A-G MISPAIR' ; save_ ######################## # Monomeric polymers # ######################## save_Human_U64_H-ACA_snoRNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common Human_U64_H-ACA_snoRNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GGAGUGCCUUACUGUGGCAC UCC ; 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 U 11 A 12 C 13 U 14 G 15 U 16 G 17 G 18 C 19 A 20 C 21 U 22 C 23 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 _Strain $Human_U64_H-ACA_snoRNA human 9606 Eukaryota Metazoa Homo sapiens 7404 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_U64_H-ACA_snoRNA '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_U64_H-ACA_snoRNA 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_U64_H-ACA_snoRNA 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_ _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' 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 _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 U64 H/ACA snoRNA' _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 13.331 . 1 2 1 1 G H1' H 5.737 . 1 3 1 1 G H2' H 4.841 . 1 4 1 1 G H3' H 4.595 . 1 5 1 1 G H5' H 4.325 . 2 6 1 1 G H5'' H 4.166 . 2 7 1 1 G H8 H 8.041 . 1 8 1 1 G C1' C 89.102 . 1 9 1 1 G C2' C 72.396 . 1 10 1 1 G C3' C 72.070 . 1 11 1 1 G C5' C 64.507 . 1 12 1 1 G C8 C 136.539 . 1 13 1 1 G N1 N 147.809 . 1 14 2 2 G H1 H 12.202 . 1 15 2 2 G H1' H 5.815 . 1 16 2 2 G H2' H 4.591 . 1 17 2 2 G H3' H 4.523 . 1 18 2 2 G H4' H 4.481 . 1 19 2 2 G H5' H 4.417 . 2 20 2 2 G H5'' H 4.187 . 2 21 2 2 G H8 H 7.431 . 1 22 2 2 G C1' C 90.353 . 1 23 2 2 G C2' C 72.863 . 1 24 2 2 G C3' C 70.362 . 1 25 2 2 G C4' C 79.821 . 1 26 2 2 G C5' C 63.730 . 1 27 2 2 G C8 C 134.387 . 1 28 2 2 G N1 N 146.435 . 1 29 2 2 G N2 N 73.776 . 1 30 3 3 A H1' H 5.908 . 1 31 3 3 A H2 H 7.417 . 1 32 3 3 A H2' H 4.653 . 1 33 3 3 A H3' H 4.541 . 1 34 3 3 A H4' H 4.442 . 1 35 3 3 A H5' H 4.504 . 2 36 3 3 A H5'' H 4.069 . 2 37 3 3 A H8 H 7.672 . 1 38 3 3 A C1' C 90.435 . 1 39 3 3 A C2 C 150.856 . 1 40 3 3 A C2' C 73.189 . 1 41 3 3 A C3' C 70.036 . 1 42 3 3 A C4' C 79.441 . 1 43 3 3 A C5' C 62.425 . 1 44 3 3 A C8 C 136.737 . 1 45 3 3 A N1 N 220.417 . 1 46 3 3 A N3 N 221.822 . 1 47 3 3 A N6 N 82.577 . 1 48 4 4 G H1 H 13.214 . 1 49 4 4 G H1' H 5.491 . 1 50 4 4 G H2' H 4.317 . 1 51 4 4 G H3' H 4.265 . 1 52 4 4 G H4' H 4.344 . 1 53 4 4 G H5' H 4.340 . 2 54 4 4 G H5'' H 3.947 . 2 55 4 4 G H8 H 6.999 . 1 56 4 4 G H21 H 8.275 . 2 57 4 4 G H22 H 6.044 . 2 58 4 4 G C1' C 90.374 . 1 59 4 4 G C2' C 72.734 . 1 60 4 4 G C3' C 70.441 . 1 61 4 4 G C4' C 79.550 . 1 62 4 4 G C5' C 63.513 . 1 63 4 4 G C8 C 133.355 . 1 64 4 4 G N1 N 147.694 . 1 65 4 4 G N2 N 74.099 . 1 66 5 5 U H1' H 5.469 . 1 67 5 5 U H2' H 4.515 . 1 68 5 5 U H3 H 13.546 . 1 69 5 5 U H3' H 4.407 . 1 70 5 5 U H5 H 4.960 . 1 71 5 5 U H5' H 4.344 . 2 72 5 5 U H5'' H 3.954 . 2 73 5 5 U H6 H 7.608 . 1 74 5 5 U C1' C 90.828 . 1 75 5 5 U C2' C 72.766 . 1 76 5 5 U C3' C 72.610 . 1 77 5 5 U C5 C 100.558 . 1 78 5 5 U C5' C 63.513 . 1 79 5 5 U C6 C 138.450 . 1 80 5 5 U N3 N 161.678 . 1 81 6 6 G H1 H 12.401 . 1 82 6 6 G H1' H 5.736 . 1 83 6 6 G H2' H 4.389 . 1 84 6 6 G H3' H 4.48 . 1 85 6 6 G H4' H 4.427 . 1 86 6 6 G H5' H 4.076 . 2 87 6 6 G H5'' H 4.416 . 2 88 6 6 G H8 H 7.641 . 1 89 6 6 G C1' C 90.025 . 1 90 6 6 G C2' C 72.797 . 1 91 6 6 G C3' C 70.144 . 1 92 6 6 G C4' C 79.361 . 1 93 6 6 G C5' C 62.949 . 1 94 6 6 G C8 C 133.608 . 1 95 6 6 G N1 N 147.312 . 1 96 6 6 G N2 N 74.633 . 1 97 7 7 C H1' H 5.383 . 1 98 7 7 C H2' H 4.264 . 1 99 7 7 C H3' H 4.313 . 1 100 7 7 C H4' H 4.304 . 1 101 7 7 C H5 H 5.137 . 1 102 7 7 C H5' H 4.436 . 2 103 7 7 C H5'' H 3.975 . 2 104 7 7 C H6 H 7.565 . 1 105 7 7 C H41 H 8.405 . 2 106 7 7 C H42 H 6.738 . 2 107 7 7 C C1' C 91.190 . 1 108 7 7 C C2' C 72.966 . 1 109 7 7 C C3' C 79.028 . 1 110 7 7 C C4' C 79.215 . 1 111 7 7 C C5' C 61.751 . 1 112 7 7 C N3 N 197.061 . 1 113 7 7 C N4 N 99.029 . 1 114 8 8 C H1' H 5.427 . 1 115 8 8 C H2' H 4.341 . 1 116 8 8 C H3' H 4.195 . 1 117 8 8 C H4' H 4.298 . 1 118 8 8 C H5 H 5.374 . 1 119 8 8 C H5' H 4.372 . 2 120 8 8 C H5'' H 3.957 . 2 121 8 8 C H6 H 7.513 . 1 122 8 8 C H41 H 8.180 . 2 123 8 8 C H42 H 6.720 . 2 124 8 8 C C1' C 91.280 . 1 125 8 8 C C2' C 73.019 . 1 126 8 8 C C3' C 69.552 . 1 127 8 8 C C4' C 79.336 . 1 128 8 8 C C5' C 62.214 . 1 129 8 8 C C6 C 138.485 . 1 130 8 8 C N3 N 195.465 . 1 131 8 8 C N4 N 98.151 . 1 132 9 9 U H1' H 5.568 . 1 133 9 9 U H2' H 4.092 . 1 134 9 9 U H3' H 4.382 . 1 135 9 9 U H4' H 4.244 . 1 136 9 9 U H5 H 5.538 . 1 137 9 9 U H5' H 3.956 . 2 138 9 9 U H5'' H 4.311 . 2 139 9 9 U H6 H 7.637 . 1 140 9 9 U C1' C 90.591 . 1 141 9 9 U C2' C 73.219 . 1 142 9 9 U C3' C 70.336 . 1 143 9 9 U C4' C 80.530 . 1 144 9 9 U C5' C 62.064 . 1 145 10 10 U H1' H 5.529 . 1 146 10 10 U H2' H 4.618 . 1 147 10 10 U H3' H 4.647 . 1 148 10 10 U H4' H 4.270 . 1 149 10 10 U H5 H 5.576 . 1 150 10 10 U H5' H 4.082 . 2 151 10 10 U H5'' H 3.892 . 2 152 10 10 U H6 H 7.566 . 1 153 10 10 U C1' C 87.867 . 1 154 10 10 U C2' C 73.116 . 1 155 10 10 U C3' C 74.146 . 1 156 10 10 U C4' C 81.971 . 1 157 10 10 U C5' C 64.913 . 1 158 11 11 A H1' H 5.396 . 1 159 11 11 A H2 H 7.944 . 1 160 11 11 A H2' H 4.009 . 1 161 11 11 A H3' H 4.417 . 1 162 11 11 A H4' H 4.105 . 1 163 11 11 A H5' H 4.010 . 2 164 11 11 A H5'' H 3.880 . 2 165 11 11 A H8 H 8.024 . 1 166 11 11 A C1' C 88.655 . 1 167 11 11 A C2 C 152.817 . 1 168 11 11 A C2' C 73.067 . 1 169 11 11 A C3' C 73.067 . 1 170 11 11 A C4' C 81.324 . 1 171 11 11 A C5' C 63.743 . 1 172 11 11 A C8 C 139.856 . 1 173 12 12 C H1' H 5.719 . 1 174 12 12 C H2' H 4.211 . 1 175 12 12 C H3' H 4.440 . 1 176 12 12 C H4' H 4.213 . 1 177 12 12 C H5 H 5.721 . 1 178 12 12 C H5' H 4.099 . 2 179 12 12 C H5'' H 3.966 . 2 180 12 12 C H6 H 7.573 . 1 181 12 12 C H41 H 6.906 . 2 182 12 12 C H42 H 6.381 . 2 183 12 12 C C1' C 89.465 . 1 184 12 12 C C2' C 73.227 . 1 185 12 12 C C3' C 73.747 . 1 186 12 12 C C4' C 81.777 . 1 187 12 12 C C5 C 96.220 . 1 188 12 12 C C5' C 64.742 . 1 189 12 12 C C6 C 141.058 . 1 190 13 13 U H1' H 5.665 . 1 191 13 13 U H2' H 4.115 . 1 192 13 13 U H3' H 4.458 . 1 193 13 13 U H4' H 4.283 . 1 194 13 13 U H5 H 5.566 . 1 195 13 13 U H5' H 3.889 . 2 196 13 13 U H6 H 7.469 . 1 197 13 13 U C1' C 87.611 . 1 198 13 13 U C2' C 73.244 . 1 199 13 13 U C3' C 74.603 . 1 200 13 13 U C4' C 82.431 . 1 201 13 13 U C5' C 65.198 . 1 202 14 14 G H1 H 10.491 . 1 203 14 14 G H1' H 5.762 . 1 204 14 14 G H2' H 4.739 . 1 205 14 14 G H3' H 4.726 . 1 206 14 14 G H4' H 4.327 . 1 207 14 14 G H5' H 4.145 . 2 208 14 14 G H5'' H 4.088 . 2 209 14 14 G H8 H 7.858 . 1 210 14 14 G C1' C 88.325 . 1 211 14 14 G C2' C 72.754 . 1 212 14 14 G C3' C 74.277 . 1 213 14 14 G C4' C 82 . 1 214 14 14 G C5' C 65.361 . 1 215 14 14 G N1 N 145.756 . 1 216 15 15 U H1' H 5.599 . 1 217 15 15 U H2' H 4.497 . 1 218 15 15 U H3' H 4.472 . 1 219 15 15 U H4' H 4.395 . 1 220 15 15 U H5 H 5.689 . 1 221 15 15 U H5' H 4.285 . 2 222 15 15 U H5'' H 4.1 . 2 223 15 15 U H6 H 7.824 . 1 224 15 15 U C1' C 90.023 . 1 225 15 15 U C2' C 72.448 . 1 226 15 15 U C4' C 81.072 . 1 227 15 15 U C5 C 102.006 . 1 228 15 15 U C5' C 63.904 . 1 229 16 16 G H1 H 12.548 . 1 230 16 16 G H1' H 5.61 . 1 231 16 16 G H2' H 4.634 . 1 232 16 16 G H3' H 4.474 . 1 233 16 16 G H4' H 4.397 . 1 234 16 16 G H5' H 4.29 . 2 235 16 16 G H5'' H 4.103 . 2 236 16 16 G H8 H 7.651 . 1 237 16 16 G C1' C 89.772 . 1 238 16 16 G C2' C 73.189 . 1 239 16 16 G C3' C 71.508 . 1 240 16 16 G C4' C 81.181 . 1 241 16 16 G C5' C 64.056 . 1 242 16 16 G C8 C 134.352 . 1 243 16 16 G N1 N 147.148 . 1 244 16 16 G N2 N 74.910 . 1 245 17 17 G H1 H 12.922 . 1 246 17 17 G H1' H 5.721 . 1 247 17 17 G H2' H 4.213 . 1 248 17 17 G H3' H 4.389 . 1 249 17 17 G H4' H 4.405 . 1 250 17 17 G H8 H 7.261 . 1 251 17 17 G C1' C 90.674 . 1 252 17 17 G C2' C 73.269 . 1 253 17 17 G C3' C 72.798 . 1 254 17 17 G C4' C 79.374 . 1 255 17 17 G C8 C 133.912 . 1 256 17 17 G N1 N 148.109 . 1 257 18 18 C H1' H 5.438 . 1 258 18 18 C H5 H 5.166 . 1 259 18 18 C H6 H 7.62 . 1 260 18 18 C H41 H 8.426 . 2 261 18 18 C H42 H 6.741 . 2 262 18 18 C C1' C 91.292 . 1 263 18 18 C C6 C 138.531 . 1 264 18 18 C N3 N 196.346 . 1 265 18 18 C N4 N 97.806 . 1 266 19 19 A H1' H 5.859 . 1 267 19 19 A H2 H 7.317 . 1 268 19 19 A H2' H 4.490 . 1 269 19 19 A H3' H 4.569 . 1 270 19 19 A H4' H 4.420 . 1 271 19 19 A H5' H 4.493 . 2 272 19 19 A H5'' H 4.060 . 2 273 19 19 A H8 H 7.974 . 1 274 19 19 A C1' C 90.464 . 1 275 19 19 A C2 C 150.737 . 1 276 19 19 A C2' C 73.189 . 1 277 19 19 A C3' C 70.145 . 1 278 19 19 A C4' C 79.332 . 1 279 19 19 A C5' C 62.643 . 1 280 19 19 A C8 C 136.884 . 1 281 19 19 A N1 N 221.701 . 1 282 19 19 A N3 N 212.274 . 1 283 19 19 A N6 N 83.874 . 1 284 20 20 C H1' H 5.309 . 1 285 20 20 C H2' H 4.130 . 1 286 20 20 C H3' H 4.279 . 1 287 20 20 C H4' H 4.328 . 1 288 20 20 C H5 H 5.163 . 1 289 20 20 C H5' H 4.414 . 2 290 20 20 C H5'' H 3.966 . 2 291 20 20 C H6 H 7.463 . 1 292 20 20 C H41 H 8.251 . 2 293 20 20 C H42 H 6.879 . 2 294 20 20 C C1' C 91.273 . 1 295 20 20 C C2' C 73.081 . 1 296 20 20 C C3' C 69.656 . 1 297 20 20 C C4' C 79.278 . 1 298 20 20 C C5' C 61.991 . 1 299 20 20 C C6 C 138.279 . 1 300 20 20 C N3 N 196.987 . 1 301 20 20 C N4 N 98.315 . 1 302 21 21 U H1' H 5.463 . 1 303 21 21 U H2' H 4.404 . 1 304 21 21 U H3 H 13.905 . 1 305 21 21 U H4' H 4.343 . 1 306 21 21 U H5 H 5.263 . 1 307 21 21 U H6 H 7.82 . 1 308 21 21 U C1' C 91.131 . 1 309 21 21 U C2' C 72.552 . 1 310 21 21 U C4' C 79.360 . 1 311 21 21 U C5 C 100.716 . 1 312 21 21 U N3 N 162.186 . 1 313 22 22 C H1' H 5.499 . 1 314 22 22 C H2' H 4.115 . 1 315 22 22 C H3' H 4.395 . 1 316 22 22 C H4' H 4.323 . 1 317 22 22 C H5 H 5.553 . 1 318 22 22 C H5' H 4.470 . 2 319 22 22 C H5'' H 4.000 . 2 320 22 22 C H6 H 7.814 . 1 321 22 22 C H41 H 8.197 . 2 322 22 22 C H42 H 6.794 . 2 323 22 22 C C1' C 91.728 . 1 324 22 22 C C2' C 72.965 . 1 325 22 22 C C3' C 69.283 . 1 326 22 22 C C4' C 79.34 . 1 327 22 22 C C5 C 94.743 . 1 328 22 22 C C5' C 61.767 . 1 329 22 22 C N3 N 197.715 . 1 330 22 22 C N4 N 97.573 . 1 331 23 23 C H1' H 5.631 . 1 332 23 23 C H2' H 3.893 . 1 333 23 23 C H4' H 4.069 . 1 334 23 23 C H5 H 5.38 . 1 335 23 23 C H5' H 4.393 . 2 336 23 23 C H5'' H 3.935 . 2 337 23 23 C H6 H 7.56 . 1 338 23 23 C H41 H 8.074 . 2 339 23 23 C H42 H 6.802 . 2 340 23 23 C C1' C 90.217 . 1 341 23 23 C C2' C 74.929 . 1 342 23 23 C C4' C 81.126 . 1 343 23 23 C C5' C 62.534 . 1 344 23 23 C C6 C 139.258 . 1 345 23 23 C N3 N 196.880 . 1 346 23 23 C N4 N 96.607 . 1 stop_ save_