data_19698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of a preQ1 Class II riboswitch from Streptococcus pneumoniae ; _BMRB_accession_number 19698 _BMRB_flat_file_name bmr19698.str _Entry_type original _Submission_date 2013-12-20 _Accession_date 2013-12-20 _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 Kang Mijeong . . 2 Eichhorn Catherine D. . 3 Feigon Juli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 620 "13C chemical shifts" 399 "15N chemical shifts" 20 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-01 update BMRB 'update entry citation' 2014-02-03 update author 'update entry' 2014-01-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural determinants for ligand capture by a class II preQ1 riboswitch.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24469808 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Mijeong . . 2 Eichhorn Catherine D. . 3 Feigon Juli . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 111 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E663 _Page_last E671 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'preQ1 Class II riboswitch from Streptococcus pneumoniae' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (59-MER)' $RNA_(59-MER) 7-DEAZA-7-AMINOMETHYL-GUANINE $entity_PRF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_(59-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(59-MER) _Molecular_mass 18903.389 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; GCUUGGUGCUUAGCUUCUUU CACCAAGCAUAUUACACGCG GAUAACCGCCAAAGGAGAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 G 2 1 C 3 2 U 4 3 U 5 4 G 6 5 G 7 6 U 8 7 G 9 8 C 10 9 U 11 10 U 12 11 A 13 12 G 14 13 C 15 14 U 16 15 U 17 16 C 18 17 U 19 18 U 20 19 U 21 20 C 22 21 A 23 22 C 24 23 C 25 24 A 26 25 A 27 26 G 28 27 C 29 28 A 30 29 U 31 30 A 32 31 U 33 32 U 34 33 A 35 34 C 36 35 A 37 36 C 38 37 G 39 38 C 40 39 G 41 40 G 42 41 A 43 42 U 44 43 A 45 44 A 46 45 C 47 46 C 48 47 G 49 48 C 50 49 C 51 50 A 52 51 A 53 52 A 54 53 G 55 54 G 56 55 A 57 56 G 58 57 A 59 58 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_PRF _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 7-DEAZA-7-AMINOMETHYL-GUANINE _BMRB_code PRF _PDB_code PRF _Molecular_mass 179.179 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? C7 C7 C . 0 . ? C10 C10 C . 0 . ? N11 N11 N . 0 . ? C8 C8 C . 0 . ? N9 N9 N . 0 . ? N2 N2 N . 0 . ? H91 H91 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H81 H81 H . 0 . ? HN91 HN91 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? SING N1 C6 ? ? SING N1 H91 ? ? DOUB C2 N3 ? ? SING C2 N2 ? ? SING N3 C4 ? ? DOUB C4 C5 ? ? SING C4 N9 ? ? SING C5 C6 ? ? SING C5 C7 ? ? DOUB C6 O6 ? ? SING C7 C10 ? ? DOUB C7 C8 ? ? SING C10 N11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING N11 H111 ? ? SING N11 H112 ? ? SING C8 N9 ? ? SING C8 H81 ? ? SING N9 HN91 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $RNA_(59-MER) . . . . . . 'In vitro synthesis' 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 $RNA_(59-MER) 'enzymatic semisynthesis' . . . . . $entity_PRF 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details classII_H2O loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(59-MER) . mM 1.0 1.2 'natural abundance' $entity_PRF 2 mM . . 'natural abundance' 'potassium chloride' 60 mM . . 'natural abundance' 'calcium chloride' 3 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details classII_D2O loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(59-MER) . mM 1.0 1.2 'natural abundance' 'potassium chloride' 60 mM . . 'natural abundance' 'calcium chloride' 3 mM . . 'natural abundance' $entity_PRF 2 mM . . 'natural abundance' D2O 100 % . . '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'classII_partially Deuterated' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(59-MER) . mM 0.8 1.0 '[U-50% 2H' 'potassium chloride' 60 mM . . 'natural abundance' 'calcium Chloride' 3 mM . . 'natural abundance' $entity_PRF 2 mM . . 'natural abundance' D2O 100 % . . '[U-100% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details classII_D2O_A loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(59-MER) . mM 1.0 1.2 '[U-13C; U-15N]-Ade' 'potassium chloride' 60 mM . . 'natural abundance' 'calcium chloride' 3 mM . . 'natural abundance' $entity_PRF 2 mM . . 'natural abundance' D2O 100 % . . '[U-100% 2H]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details classII_D2O_G loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(59-MER) 1~1.2 mM '[U-13C; U-15N]-Gua' 'potassium chloride' 60 mM 'natural abundance' 'calcium chloride' 3 mM 'natural abundance' $entity_PRF 2 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details classII_D2O_C loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(59-MER) 1~1.2 mM '[U-13C; U-15N]-Cyt' 'potassium chloride' 60 mM 'natural abundance' 'calcium chloride' 3 mM 'natural abundance' $entity_PRF 2 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details classII_D2O_U loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(59-MER) 1~1.2 mM '[U-13C; U-15N]-Ura' 'potassium chloride' 60 mM 'natural abundance' 'calcium chloride' 3 mM 'natural abundance' $entity_PRF 2 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details classII_H2O_full loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(59-MER) 1~1.2 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 60 mM 'natural abundance' 'calcium chloride' 3 mM 'natural abundance' $entity_PRF 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . 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_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_6 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_7 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_8 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' 66 . mM pH 6.15 0.15 pH pressure 1 . atm temperature 300 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 66 . mM pH 6.15 0.15 pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_8 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (59-MER)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -1 1 G H1 H 12.645 0.005 1 2 -1 1 G H1' H 5.675 0.005 1 3 -1 1 G H8 H 8.085 0.005 1 4 -1 1 G C8 C 139.858 0.005 1 5 -1 1 G N1 N 148.144 0.005 1 6 1 2 C H1' H 5.519 0.005 1 7 1 2 C H2' H 4.381 0.005 1 8 1 2 C H5 H 5.258 0.005 1 9 1 2 C H6 H 7.917 0.005 1 10 1 2 C C5 C 94.493 0.005 1 11 1 2 C C6 C 142.9 0.005 1 12 2 3 U H1' H 5.522 0.005 1 13 2 3 U H2' H 4.397 0.005 1 14 2 3 U H3 H 13.937 0.005 1 15 2 3 U H5 H 5.308 0.005 1 16 2 3 U H6 H 7.934 0.005 1 17 2 3 U C1' C 93.785 0.005 1 18 2 3 U C5 C 101.09 0.005 1 19 2 3 U C6 C 142.572 0.005 1 20 2 3 U N3 N 161.956 0.005 1 21 3 4 U H1' H 5.637 0.005 1 22 3 4 U H2' H 4.499 0.005 1 23 3 4 U H3 H 13.099 0.005 1 24 3 4 U H5 H 5.55 0.005 1 25 3 4 U H6 H 8 0.005 1 26 3 4 U C1' C 93.512 0.005 1 27 3 4 U C5 C 101.413 0.005 1 28 3 4 U C6 C 142.232 0.005 1 29 3 4 U N3 N 161.689 0.005 1 30 4 5 G H1 H 11.922 0.005 1 31 4 5 G H1' H 5.728 0.005 1 32 4 5 G H2' H 4.499 0.005 1 33 4 5 G H3' H 4.569 0.005 1 34 4 5 G H8 H 7.62 0.005 1 35 4 5 G C1' C 92.664 0.005 1 36 4 5 G C8 C 136.43 0.005 1 37 5 6 G H1 H 13.172 0.005 1 38 5 6 G H1' H 5.532 0.005 1 39 5 6 G H2' H 4.432 0.005 1 40 5 6 G H3' H 4.303 0.005 1 41 5 6 G H5'' H 4.019 0.005 1 42 5 6 G H8 H 7.097 0.005 1 43 5 6 G C1' C 93.288 0.005 1 44 5 6 G C8 C 136.25 0.005 1 45 5 6 G N1 N 146.435 0.005 1 46 6 7 U H1' H 5.342 0.005 1 47 6 7 U H2' H 4.3 0.005 1 48 6 7 U H3 H 14.117 0.005 1 49 6 7 U H5 H 5.032 0.005 1 50 6 7 U H5'' H 4.026 0.005 1 51 6 7 U H6 H 7.43 0.005 1 52 6 7 U C1' C 94.19 0.005 1 53 6 7 U C5 C 100.761 0.005 1 54 6 7 U C6 C 141.049 0.005 1 55 6 7 U N3 N 163.203 0.005 1 56 7 8 G H1 H 12.171 0.005 1 57 7 8 G H1' H 5.7 0.005 1 58 7 8 G H2' H 3.991 0.005 1 59 7 8 G H3' H 4.657 0.005 1 60 7 8 G H8 H 7.579 0.005 1 61 7 8 G C1' C 93.806 0.005 1 62 7 8 G C8 C 137.149 0.005 1 63 7 8 G N1 N 147.51 0.005 1 64 8 9 C H1' H 5.703 0.005 1 65 8 9 C H2' H 4.331 0.005 1 66 8 9 C H3' H 4.684 0.005 1 67 8 9 C H5 H 5.435 0.005 1 68 8 9 C H6 H 7.523 0.005 1 69 8 9 C C1' C 91.037 0.005 1 70 8 9 C C5 C 96.63 0.005 1 71 8 9 C C6 C 142.344 0.005 1 72 9 10 U H1' H 5.505 0.005 1 73 9 10 U H2' H 4.683 0.005 1 74 9 10 U H3 H 13.66 0.005 1 75 9 10 U H5 H 5.397 0.005 1 76 9 10 U H6 H 7.95 0.005 1 77 9 10 U C5 C 101.655 0.005 1 78 9 10 U C6 C 142.6 0.005 1 79 9 10 U N3 N 161.949 0.005 1 80 10 11 U H1' H 5.577 0.005 1 81 10 11 U H2' H 4.169 0.005 1 82 10 11 U H3 H 13.555 0.005 1 83 10 11 U H3' H 4.351 0.005 1 84 10 11 U H4' H 4.437 0.005 1 85 10 11 U H5 H 4.973 0.005 1 86 10 11 U H6 H 7.213 0.005 1 87 10 11 U C1' C 95.186 0.005 1 88 10 11 U C5 C 100.352 0.005 1 89 10 11 U C6 C 140.166 0.005 1 90 10 11 U N3 N 162.535 0.005 1 91 11 12 A H1' H 5.987 0.005 1 92 11 12 A H2 H 8.272 0.005 1 93 11 12 A H2' H 4.498 0.005 1 94 11 12 A H3' H 4.886 0.005 1 95 11 12 A H4' H 4.624 0.005 1 96 11 12 A H8 H 8.549 0.005 1 97 11 12 A C1' C 89.093 0.005 1 98 11 12 A C8 C 142.91 0.005 1 99 12 13 G H1' H 5.917 0.005 1 100 12 13 G H2' H 4.99 0.005 1 101 12 13 G H3' H 4.884 0.005 1 102 12 13 G H5' H 4.49 0.005 1 103 12 13 G H5'' H 4.301 0.005 1 104 12 13 G H8 H 8.03 0.005 1 105 12 13 G C1' C 93.041 0.005 1 106 12 13 G C8 C 140.683 0.005 1 107 13 14 C H1' H 5.599 0.005 1 108 13 14 C H2' H 4.387 0.005 1 109 13 14 C H3' H 4.588 0.005 1 110 13 14 C H5 H 5.301 0.005 1 111 13 14 C H6 H 7.794 0.005 1 112 13 14 C H41 H 8.239 0.005 1 113 13 14 C H42 H 6.788 0.005 1 114 13 14 C C1' C 95.186 0.005 1 115 13 14 C C5 C 95.648 0.005 1 116 14 15 U H1' H 5.494 0.005 1 117 14 15 U H2' H 4.644 0.005 1 118 14 15 U H3 H 13.865 0.005 1 119 14 15 U H4' H 4.489 0.005 1 120 14 15 U H5 H 5.359 0.005 1 121 14 15 U H6 H 7.885 0.005 1 122 14 15 U C1' C 94.28 0.005 1 123 14 15 U C5 C 101.014 0.005 1 124 14 15 U C6 C 139.8 0.005 1 125 14 15 U N3 N 161.712 0.005 1 126 15 16 U H1' H 5.535 0.005 1 127 15 16 U H2' H 4.146 0.005 1 128 15 16 U H3 H 11.972 0.005 1 129 15 16 U H5 H 5.882 0.005 1 130 15 16 U H6 H 8.011 0.005 1 131 15 16 U C1' C 94.3 0.005 1 132 15 16 U C5 C 102.61 0.005 1 133 15 16 U C6 C 141.851 0.005 1 134 15 16 U N3 N 158.457 0.005 1 135 16 17 C H1' H 5.533 0.005 1 136 16 17 C H2' H 4.367 0.005 1 137 16 17 C H3' H 4.74 0.005 1 138 16 17 C H5 H 5.62 0.005 1 139 16 17 C H6 H 7.91 0.005 1 140 16 17 C C1' C 93.41 0.005 1 141 16 17 C C5 C 95.439 0.005 1 142 16 17 C C6 C 142.3 0.005 1 143 17 18 U H1' H 5.463 0.005 1 144 17 18 U H2' H 4.394 0.005 1 145 17 18 U H3 H 14.362 0.005 1 146 17 18 U H5 H 5.377 0.005 1 147 17 18 U H6 H 7.805 0.005 1 148 17 18 U C1' C 94.3 0.005 1 149 17 18 U C5 C 101.11 0.005 1 150 17 18 U C6 C 142.37 0.005 1 151 17 18 U N3 N 163.501 0.005 1 152 18 19 U H1' H 5.679 0.005 1 153 18 19 U H2' H 4.729 0.005 1 154 18 19 U H3 H 13.725 0.005 1 155 18 19 U H4' H 4.57 0.005 1 156 18 19 U H5 H 5.314 0.005 1 157 18 19 U H6 H 7.902 0.005 1 158 18 19 U C1' C 93.921 0.005 1 159 18 19 U C5 C 100.822 0.005 1 160 18 19 U C6 C 139.8 0.005 1 161 18 19 U N3 N 163.458 0.005 1 162 19 20 U H1' H 4.937 0.005 1 163 19 20 U H2' H 4.23 0.005 1 164 19 20 U H3 H 13.809 0.005 1 165 19 20 U H5 H 5.634 0.005 1 166 19 20 U H6 H 7.817 0.005 1 167 19 20 U HO2' H 9.739 0.005 1 168 19 20 U C1' C 94.24 0.005 1 169 19 20 U C5 C 101.841 0.005 1 170 19 20 U C6 C 141.091 0.005 1 171 19 20 U N3 N 162.131 0.005 1 172 20 21 C H1' H 3.424 0.005 1 173 20 21 C H2' H 3.76 0.005 1 174 20 21 C H3' H 4.225 0.005 1 175 20 21 C H4' H 3.148 0.005 1 176 20 21 C H5 H 5.518 0.005 1 177 20 21 C H5' H 4.082 0.005 1 178 20 21 C H5'' H 3.874 0.005 1 179 20 21 C H6 H 7.597 0.005 1 180 20 21 C C1' C 94.625 0.005 1 181 20 21 C C5 C 95.965 0.005 1 182 20 21 C C6 C 140.528 0.005 1 183 21 22 A H1' H 5.66 0.005 1 184 21 22 A H2 H 7.087 0.005 1 185 21 22 A H2' H 4.197 0.005 1 186 21 22 A H3' H 4.625 0.005 1 187 21 22 A H4' H 4.267 0.005 1 188 21 22 A H5'' H 3.922 0.005 1 189 21 22 A H8 H 7.8 0.005 1 190 21 22 A C1' C 93.126 0.005 1 191 21 22 A C2 C 153.469 0.005 1 192 21 22 A C8 C 139.718 0.005 1 193 22 23 C H1' H 5.328 0.005 1 194 22 23 C H2' H 4.06 0.005 1 195 22 23 C H5 H 4.979 0.005 1 196 22 23 C H6 H 7.468 0.005 1 197 22 23 C H41 H 8.11 0.005 1 198 22 23 C H42 H 6.722 0.005 1 199 22 23 C C1' C 93.843 0.005 1 200 22 23 C C5 C 94.407 0.005 1 201 22 23 C C6 C 141 0.005 1 202 23 24 C H1' H 5.368 0.005 1 203 23 24 C H2' H 4.332 0.005 1 204 23 24 C H5 H 5.324 0.005 1 205 23 24 C H6 H 7.644 0.005 1 206 23 24 C H41 H 8.218 0.005 1 207 23 24 C H42 H 6.651 0.005 1 208 23 24 C C1' C 94.25 0.005 1 209 23 24 C C5 C 95.158 0.005 1 210 23 24 C C6 C 141.392 0.005 1 211 24 25 A H1' H 5.773 0.005 1 212 24 25 A H2 H 6.683 0.005 1 213 24 25 A H2' H 4.37 0.005 1 214 24 25 A H3' H 4.806 0.005 1 215 24 25 A H8 H 7.968 0.005 1 216 24 25 A C1' C 93.11 0.005 1 217 24 25 A C2 C 152.689 0.005 1 218 24 25 A C8 C 140.096 0.005 1 219 25 26 A H1' H 5.835 0.005 1 220 25 26 A H2 H 7.369 0.005 1 221 25 26 A H2' H 4.434 0.005 1 222 25 26 A H8 H 7.853 0.005 1 223 25 26 A C1' C 92.52 0.005 1 224 25 26 A C2 C 153.752 0.005 1 225 25 26 A C2' C 75.845 0.005 1 226 25 26 A C8 C 139.596 0.005 1 227 26 27 G H1 H 13.485 0.005 1 228 26 27 G H1' H 5.482 0.005 1 229 26 27 G H2' H 4.328 0.005 1 230 26 27 G H8 H 7.108 0.005 1 231 26 27 G C1' C 92.753 0.005 1 232 26 27 G C8 C 135.751 0.005 1 233 26 27 G N1 N 148.091 0.005 1 234 27 28 C H1' H 5.375 0.005 1 235 27 28 C H2' H 4.392 0.005 1 236 27 28 C H5 H 5.069 0.005 1 237 27 28 C H5' H 4.416 0.005 1 238 27 28 C H5'' H 4.028 0.005 1 239 27 28 C H6 H 7.281 0.005 1 240 27 28 C H41 H 8.144 0.005 1 241 27 28 C H42 H 6.678 0.005 1 242 27 28 C C1' C 94.36 0.005 1 243 27 28 C C2' C 76.27 0.005 1 244 27 28 C C5 C 95.373 0.005 1 245 27 28 C C6 C 140.424 0.005 1 246 28 29 A H1' H 5.927 0.005 1 247 28 29 A H2 H 7.464 0.005 1 248 28 29 A H2' H 4.391 0.005 1 249 28 29 A H3' H 4.524 0.005 1 250 28 29 A H8 H 7.986 0.005 1 251 28 29 A C1' C 92.401 0.005 1 252 28 29 A C2 C 154.874 0.005 1 253 28 29 A C8 C 140.825 0.005 1 254 29 30 U H1' H 5.629 0.005 1 255 29 30 U H2' H 4.129 0.005 1 256 29 30 U H3' H 4.521 0.005 1 257 29 30 U H4' H 4.185 0.005 1 258 29 30 U H5 H 5.425 0.005 1 259 29 30 U H5' H 4.053 0.005 1 260 29 30 U H5'' H 3.972 0.005 1 261 29 30 U H6 H 7.497 0.005 1 262 29 30 U C1' C 90.728 0.005 1 263 29 30 U C5 C 102.602 0.005 1 264 29 30 U C6 C 143.25 0.005 1 265 30 31 A H1' H 6.024 0.005 1 266 30 31 A H2 H 8.133 0.005 1 267 30 31 A H2' H 4.844 0.005 1 268 30 31 A H3' H 4.784 0.005 1 269 30 31 A H4' H 4.527 0.005 1 270 30 31 A H5' H 4.125 0.005 1 271 30 31 A H5'' H 4.299 0.005 1 272 30 31 A H8 H 8.3 0.005 1 273 30 31 A C1' C 91.092 0.005 1 274 30 31 A C2 C 155.735 0.005 1 275 30 31 A C8 C 142.625 0.005 1 276 31 32 U H1' H 5.851 0.005 1 277 31 32 U H2' H 4.399 0.005 1 278 31 32 U H3' H 4.681 0.005 1 279 31 32 U H5 H 5.686 0.005 1 280 31 32 U H5' H 4.202 0.005 1 281 31 32 U H5'' H 4.301 0.005 1 282 31 32 U H6 H 7.744 0.005 1 283 31 32 U C1' C 91.708 0.005 1 284 31 32 U C5 C 102.844 0.005 1 285 31 32 U C6 C 143.882 0.005 1 286 32 33 U H1' H 5.819 0.005 1 287 32 33 U H2' H 4.363 0.005 1 288 32 33 U H3' H 4.669 0.005 1 289 32 33 U H5 H 5.785 0.005 1 290 32 33 U H5' H 4.208 0.005 1 291 32 33 U H5'' H 4.167 0.005 1 292 32 33 U H6 H 7.755 0.005 1 293 32 33 U C1' C 91.821 0.005 1 294 32 33 U C5 C 102.959 0.005 1 295 32 33 U C6 C 144.112 0.005 1 296 33 34 A H1' H 6.109 0.005 1 297 33 34 A H2 H 8.206 0.005 1 298 33 34 A H2' H 4.883 0.005 1 299 33 34 A H3' H 4.861 0.005 1 300 33 34 A H4' H 4.642 0.005 1 301 33 34 A H5' H 4.287 0.005 1 302 33 34 A H5'' H 4.421 0.005 1 303 33 34 A H8 H 8.456 0.005 1 304 33 34 A C1' C 91.683 0.005 1 305 33 34 A C2 C 155.737 0.005 1 306 33 34 A C8 C 142.529 0.005 1 307 34 35 C H1' H 6.028 0.005 1 308 34 35 C H2' H 4.43 0.005 1 309 34 35 C H3' H 4.838 0.005 1 310 34 35 C H4' H 4.598 0.005 1 311 34 35 C H5 H 5.79 0.005 1 312 34 35 C H6 H 7.759 0.005 1 313 34 35 C C1' C 92.386 0.005 1 314 34 35 C C5 C 96.582 0.005 1 315 34 35 C C6 C 143.54 0.005 1 316 35 36 A H1' H 6.199 0.005 1 317 35 36 A H2 H 8.803 0.005 1 318 35 36 A H2' H 4.79 0.005 1 319 35 36 A H3' H 4.67 0.005 1 320 35 36 A H4' H 4.63 0.005 1 321 35 36 A H5' H 4.57 0.005 1 322 35 36 A H5'' H 4.367 0.005 1 323 35 36 A H8 H 8.419 0.005 1 324 35 36 A C1' C 94.302 0.005 1 325 35 36 A C2 C 156.584 0.005 1 326 35 36 A C8 C 141.6 0.005 1 327 36 37 C H1' H 5.649 0.005 1 328 36 37 C H2' H 4.543 0.005 1 329 36 37 C H5 H 5.228 0.005 1 330 36 37 C H6 H 7.42 0.005 1 331 36 37 C C1' C 94.3 0.005 1 332 37 38 G H1 H 13.274 0.005 1 333 37 38 G H1' H 5.655 0.005 1 334 37 38 G H2' H 4.614 0.005 1 335 37 38 G H3' H 4.456 0.005 1 336 37 38 G H8 H 7.683 0.005 1 337 37 38 G C1' C 94.266 0.005 1 338 37 38 G C8 C 137.876 0.005 1 339 37 38 G N1 N 148.691 0.005 1 340 38 39 C H1' H 5.599 0.005 1 341 38 39 C H2' H 4.498 0.005 1 342 38 39 C H5 H 5.253 0.005 1 343 38 39 C H6 H 7.751 0.005 1 344 38 39 C C1' C 94.39 0.005 1 345 38 39 C C5 C 95.091 0.005 1 346 38 39 C C6 C 141.35 0.005 1 347 39 40 G H1 H 12.593 0.005 1 348 39 40 G H1' H 5.799 0.005 1 349 39 40 G H2' H 4.418 0.005 1 350 39 40 G H3' H 4.821 0.005 1 351 39 40 G H8 H 7.677 0.005 1 352 39 40 G C1' C 93.032 0.005 1 353 39 40 G C8 C 137.011 0.005 1 354 39 40 G N1 N 146.733 0.005 1 355 40 41 G H1' H 5.965 0.005 1 356 40 41 G H2' H 4.543 0.005 1 357 40 41 G H3' H 4.525 0.005 1 358 40 41 G H8 H 7.582 0.005 1 359 40 41 G C1' C 92.824 0.005 1 360 41 42 A H1' H 5.853 0.005 1 361 41 42 A H2 H 7.783 0.005 1 362 41 42 A H2' H 4.612 0.005 1 363 41 42 A H3' H 4.551 0.005 1 364 41 42 A H4' H 4.544 0.005 1 365 41 42 A H8 H 8.009 0.005 1 366 41 42 A C1' C 93.419 0.005 1 367 41 42 A C2 C 155.254 0.005 1 368 41 42 A C8 C 140.825 0.005 1 369 42 43 U H1' H 5.4 0.005 1 370 42 43 U H2' H 4.16 0.005 1 371 42 43 U H3' H 4.455 0.005 1 372 42 43 U H4' H 4.266 0.005 1 373 42 43 U H5 H 4.869 0.005 1 374 42 43 U H6 H 7.296 0.005 1 375 42 43 U C1' C 91.944 0.005 1 376 42 43 U C5 C 99.122 0.005 1 377 43 44 A H1' H 5.783 0.005 1 378 43 44 A H2 H 7.909 0.005 1 379 43 44 A H2' H 4.451 0.005 1 380 43 44 A H3' H 4.83 0.005 1 381 43 44 A H4' H 4.445 0.005 1 382 43 44 A H8 H 8.247 0.005 1 383 43 44 A C1' C 91.821 0.005 1 384 43 44 A C2 C 154.912 0.005 1 385 43 44 A C8 C 141.395 0.005 1 386 44 45 A H1' H 5.86 0.005 1 387 44 45 A H2 H 8.103 0.005 1 388 44 45 A H2' H 4.765 0.005 1 389 44 45 A H3' H 4.712 0.005 1 390 44 45 A H4' H 4.529 0.005 1 391 44 45 A H5'' H 4.262 0.005 1 392 44 45 A H8 H 8.208 0.005 1 393 44 45 A C1' C 91.178 0.005 1 394 44 45 A C2 C 155.966 0.005 1 395 44 45 A C8 C 141.395 0.005 1 396 45 46 C H1' H 5.805 0.005 1 397 45 46 C H2' H 4.442 0.005 1 398 45 46 C H5 H 5.843 0.005 1 399 45 46 C H6 H 7.959 0.005 1 400 45 46 C C5 C 96.555 0.005 1 401 45 46 C C6 C 142.2 0.005 1 402 46 47 C H1' H 5.488 0.005 1 403 46 47 C H2' H 4.668 0.005 1 404 46 47 C H5 H 5.642 0.005 1 405 46 47 C H6 H 7.635 0.005 1 406 46 47 C C1' C 94.6 0.005 1 407 46 47 C C5 C 96.652 0.005 1 408 46 47 C C6 C 141.392 0.005 1 409 47 48 G H1 H 13.046 0.005 1 410 47 48 G H1' H 5.748 0.005 1 411 47 48 G H2' H 4.602 0.005 1 412 47 48 G H5'' H 4.188 0.005 1 413 47 48 G H8 H 7.641 0.005 1 414 47 48 G C1' C 93.361 0.005 1 415 47 48 G C8 C 136.622 0.005 1 416 47 48 G N1 N 147.722 0.005 1 417 48 49 C H1' H 5.515 0.005 1 418 48 49 C H2' H 4.481 0.005 1 419 48 49 C H3' H 4.419 0.005 1 420 48 49 C H5 H 5.22 0.005 1 421 48 49 C H6 H 7.531 0.005 1 422 48 49 C H41 H 8.393 0.005 1 423 48 49 C H42 H 6.937 0.005 1 424 48 49 C C1' C 94.63 0.005 1 425 48 49 C C6 C 140.61 0.005 1 426 49 50 C H1' H 5.756 0.005 1 427 49 50 C H2' H 4.157 0.005 1 428 49 50 C H3' H 4.738 0.005 1 429 49 50 C H5 H 5.703 0.005 1 430 49 50 C H6 H 7.82 0.005 1 431 49 50 C C1' C 94.792 0.005 1 432 49 50 C C5 C 95.811 0.005 1 433 49 50 C C6 C 141.941 0.005 1 434 50 51 A H1' H 6.685 0.005 1 435 50 51 A H2 H 7.465 0.005 1 436 50 51 A H2' H 4.871 0.005 1 437 50 51 A H3' H 4.883 0.005 1 438 50 51 A H4' H 5.229 0.005 1 439 50 51 A H5' H 4.263 0.005 1 440 50 51 A H5'' H 4.416 0.005 1 441 50 51 A H8 H 8.374 0.005 1 442 50 51 A C1' C 87.477 0.005 1 443 50 51 A C2 C 154.481 0.005 1 444 50 51 A C8 C 142.303 0.005 1 445 51 52 A H1' H 7.031 0.005 1 446 51 52 A H2 H 7.378 0.005 1 447 51 52 A H2' H 5.28 0.005 1 448 51 52 A H3' H 5.081 0.005 1 449 51 52 A H4' H 4.855 0.005 1 450 51 52 A H8 H 7.462 0.005 1 451 51 52 A H61 H 7.843 0.005 1 452 51 52 A H62 H 7.638 0.005 1 453 51 52 A C1' C 94.863 0.005 1 454 51 52 A C2 C 153.137 0.005 1 455 51 52 A C8 C 140.093 0.005 1 456 52 53 A H1' H 6.281 0.005 1 457 52 53 A H2 H 7.41 0.005 1 458 52 53 A H2' H 4.694 0.005 1 459 52 53 A H3' H 4.736 0.005 1 460 52 53 A H4' H 4.878 0.005 1 461 52 53 A H8 H 7.465 0.005 1 462 52 53 A H61 H 7.869 0.005 1 463 52 53 A H62 H 7.416 0.005 1 464 52 53 A C1' C 93.821 0.005 1 465 52 53 A C2 C 153.137 0.005 1 466 52 53 A C8 C 139.932 0.005 1 467 53 54 G H1 H 12.759 0.005 1 468 53 54 G H1' H 5.898 0.005 1 469 53 54 G H2' H 4.541 0.005 1 470 53 54 G H3' H 4.517 0.005 1 471 53 54 G H8 H 7.455 0.005 1 472 53 54 G C1' C 92.75 0.005 1 473 53 54 G C8 C 137.284 0.005 1 474 53 54 G N1 N 147.658 0.005 1 475 54 55 G H1 H 10.463 0.005 1 476 54 55 G H1' H 5.785 0.005 1 477 54 55 G H2' H 4.773 0.005 1 478 54 55 G H5'' H 4.1 0.005 1 479 54 55 G H8 H 7.197 0.005 1 480 54 55 G C1' C 93.89 0.005 1 481 54 55 G C8 C 137.67 0.005 1 482 54 55 G N1 N 142.055 0.005 1 483 55 56 A H1' H 5.897 0.005 1 484 55 56 A H2 H 7.55 0.005 1 485 55 56 A H2' H 4.606 0.005 1 486 55 56 A H3' H 4.684 0.005 1 487 55 56 A H8 H 7.776 0.005 1 488 55 56 A C1' C 93.275 0.005 1 489 55 56 A C2 C 154.019 0.005 1 490 56 57 G H1 H 12.66 0.005 1 491 56 57 G H1' H 5.476 0.005 1 492 56 57 G H2' H 4.33 0.005 1 493 56 57 G H8 H 6.99 0.005 1 494 56 57 G C1' C 93.171 0.005 1 495 56 57 G C8 C 136.321 0.005 1 496 56 57 G N1 N 147.365 0.005 1 497 57 58 A H1' H 5.884 0.005 1 498 57 58 A H2 H 7.783 0.005 1 499 57 58 A H2' H 4.397 0.005 1 500 57 58 A H3' H 4.578 0.005 1 501 57 58 A H4' H 4.438 0.005 1 502 57 58 A H8 H 7.692 0.005 1 503 57 58 A C1' C 92.8 0.005 1 504 57 58 A C2 C 155.254 0.005 1 505 57 58 A C8 C 139.747 0.005 1 506 58 59 A H1' H 5.8 0.005 1 507 58 59 A H2 H 8.019 0.005 1 508 58 59 A H2' H 4.122 0.005 1 509 58 59 A H3' H 4.321 0.005 1 510 58 59 A H4' H 4.268 0.005 1 511 58 59 A H8 H 7.969 0.005 1 512 58 59 A C1' C 91.257 0.005 1 513 58 59 A C2 C 155.768 0.005 1 514 58 59 A C8 C 141.164 0.005 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_8 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 7-DEAZA-7-AMINOMETHYL-GUANINE _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 PRF H101 H 3.931 0.005 1 2 1 1 PRF H102 H 4.589 0.005 1 3 1 1 PRF H81 H 6.53 0.005 1 4 1 1 PRF HN11 H 11.693 0.005 1 5 1 1 PRF HN91 H 8.529 0.005 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_4 $sample_5 $sample_6 $sample_7 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (59-MER)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -1 1 G H1' H 5.706 0.005 1 2 -1 1 G H2' H 4.75 0.005 1 3 -1 1 G H3' H 4.661 0.005 1 4 -1 1 G H4' H 4.445 0.005 1 5 -1 1 G C1' C 93.681 0.005 1 6 -1 1 G C2' C 74.957 0.005 1 7 -1 1 G C3' C 73.642 0.005 1 8 -1 1 G C4' C 83.443 0.005 1 9 2 3 U H1' H 5.511 0.005 1 10 2 3 U H2' H 4.412 0.005 1 11 2 3 U H3' H 4.484 0.005 1 12 2 3 U H4' H 4.48 0.005 1 13 2 3 U C1' C 93.785 0.005 1 14 2 3 U C2' C 75.388 0.005 1 15 2 3 U C3' C 72.486 0.005 1 16 2 3 U C4' C 82.083 0.005 1 17 3 4 U H1' H 5.672 0.005 1 18 3 4 U H2' H 4.521 0.005 1 19 3 4 U H3' H 4.656 0.005 1 20 3 4 U H4' H 4.474 0.005 1 21 3 4 U C1' C 93.005 0.005 1 22 3 4 U C2' C 76.943 0.005 1 23 3 4 U C3' C 72.249 0.005 1 24 3 4 U C4' C 81.755 0.005 1 25 4 5 G H1' H 5.671 0.005 1 26 4 5 G H2' H 4.47 0.005 1 27 4 5 G H3' H 4.622 0.005 1 28 4 5 G H4' H 4.442 0.005 1 29 4 5 G H5' H 4.341 0.005 1 30 4 5 G H5'' H 4.1 0.005 1 31 4 5 G C1' C 91.084 0.005 1 32 4 5 G C2' C 75.903 0.005 1 33 4 5 G C3' C 75.351 0.005 1 34 4 5 G C4' C 83.896 0.005 1 35 4 5 G C5' C 66.865 0.005 1 36 5 6 G H1' H 5.524 0.005 1 37 5 6 G H2' H 4.427 0.005 1 38 5 6 G H3' H 4.283 0.005 1 39 5 6 G H4' H 4.392 0.005 1 40 5 6 G H5' H 4.436 0.005 1 41 5 6 G H5'' H 3.995 0.005 1 42 5 6 G C1' C 92.773 0.005 1 43 5 6 G C2' C 75.336 0.005 1 44 5 6 G C3' C 72.786 0.005 1 45 5 6 G C4' C 82.005 0.005 1 46 5 6 G C5' C 65.745 0.005 1 47 6 7 U H1' H 5.368 0.005 1 48 6 7 U H2' H 4.34 0.005 1 49 6 7 U H3' H 4.393 0.005 1 50 6 7 U H4' H 4.392 0.005 1 51 6 7 U C1' C 93.609 0.005 1 52 6 7 U C2' C 75.211 0.005 1 53 6 7 U C3' C 71.979 0.005 1 54 6 7 U C4' C 82.06 0.005 1 55 7 8 G H1' H 5.704 0.005 1 56 7 8 G H2' H 4.01 0.005 1 57 7 8 G H3' H 4.661 0.005 1 58 7 8 G H4' H 4.304 0.005 1 59 7 8 G C1' C 93.134 0.005 1 60 7 8 G C2' C 75.801 0.005 1 61 7 8 G C3' C 73.51 0.005 1 62 7 8 G C4' C 82.282 0.005 1 63 8 9 C H1' H 5.679 0.005 1 64 8 9 C H2' H 4.282 0.005 1 65 8 9 C H3' H 4.623 0.005 1 66 8 9 C H4' H 4.378 0.005 1 67 8 9 C H5' H 4.333 0.005 1 68 8 9 C H5'' H 4.012 0.005 1 69 8 9 C C1' C 91.212 0.005 1 70 8 9 C C2' C 75.178 0.005 1 71 8 9 C C3' C 77.507 0.005 1 72 8 9 C C4' C 85.218 0.005 1 73 8 9 C C5' C 67.593 0.005 1 74 9 10 U H1' H 5.545 0.005 1 75 9 10 U H2' H 4.673 0.005 1 76 9 10 U H3' H 4.345 0.005 1 77 9 10 U H4' H 4.468 0.005 1 78 9 10 U C1' C 94.2 0.005 1 79 9 10 U C2' C 75.089 0.005 1 80 9 10 U C3' C 72.319 0.005 1 81 9 10 U C4' C 82.13 0.005 1 82 10 11 U H1' H 5.608 0.005 1 83 10 11 U H2' H 4.204 0.005 1 84 10 11 U H3' H 4.354 0.005 1 85 10 11 U H4' H 4.445 0.005 1 86 10 11 U H5' H 4.156 0.005 1 87 10 11 U H5'' H 4.035 0.005 1 88 10 11 U C1' C 94.597 0.005 1 89 10 11 U C2' C 76.638 0.005 1 90 10 11 U C3' C 71.64 0.005 1 91 10 11 U C4' C 81.946 0.005 1 92 10 11 U C5' C 66.847 0.005 1 93 11 12 A H1' H 6.015 0.005 1 94 11 12 A H2' H 4.542 0.005 1 95 11 12 A H3' H 4.9 0.005 1 96 11 12 A H4' H 4.613 0.005 1 97 11 12 A H5' H 4.073 0.005 1 98 11 12 A H5'' H 4.155 0.005 1 99 11 12 A C1' C 88.72 0.005 1 100 11 12 A C2' C 78.275 0.005 1 101 11 12 A C3' C 78.205 0.005 1 102 11 12 A C4' C 85.809 0.005 1 103 11 12 A C5' C 67.572 0.005 1 104 12 13 G H1' H 5.921 0.005 1 105 12 13 G H2' H 4.983 0.005 1 106 12 13 G H3' H 4.875 0.005 1 107 12 13 G H4' H 4.573 0.005 1 108 12 13 G H5' H 4.469 0.005 1 109 12 13 G H5'' H 4.286 0.005 1 110 12 13 G C1' C 92.654 0.005 1 111 12 13 G C2' C 75.323 0.005 1 112 12 13 G C3' C 75.323 0.005 1 113 12 13 G C4' C 84.373 0.005 1 114 12 13 G C5' C 67.218 0.005 1 115 13 14 C H1' H 5.567 0.005 1 116 13 14 C H2' H 4.455 0.005 1 117 13 14 C H3' H 4.553 0.005 1 118 13 14 C H4' H 4.455 0.005 1 119 13 14 C H5' H 4.577 0.005 1 120 13 14 C H5'' H 4.105 0.005 1 121 13 14 C C1' C 94.347 0.005 1 122 13 14 C C2' C 76.149 0.005 1 123 13 14 C C3' C 73.013 0.005 1 124 13 14 C C4' C 82.401 0.005 1 125 13 14 C C5' C 65.351 0.005 1 126 14 15 U H1' H 5.536 0.005 1 127 14 15 U H2' H 4.647 0.005 1 128 14 15 U H4' H 4.489 0.005 1 129 14 15 U C1' C 93.865 0.005 1 130 14 15 U C2' C 75.219 0.005 1 131 14 15 U C4' C 82.037 0.005 1 132 15 16 U H1' H 5.556 0.005 1 133 15 16 U H2' H 4.169 0.005 1 134 15 16 U H3' H 4.579 0.005 1 135 15 16 U H4' H 4.469 0.005 1 136 15 16 U H5'' H 4.184 0.005 1 137 15 16 U C1' C 93.775 0.005 1 138 15 16 U C2' C 75.934 0.005 1 139 15 16 U C3' C 72.125 0.005 1 140 15 16 U C4' C 82.202 0.005 1 141 17 18 U H1' H 5.474 0.005 1 142 17 18 U H2' H 4.442 0.005 1 143 17 18 U H3' H 4.057 0.005 1 144 17 18 U H4' H 4.227 0.005 1 145 17 18 U H5' H 4.014 0.005 1 146 17 18 U C1' C 91.294 0.005 1 147 17 18 U C2' C 75.212 0.005 1 148 17 18 U C3' C 75.84 0.005 1 149 17 18 U C4' C 83.89 0.005 1 150 17 18 U C5' C 66.306 0.005 1 151 18 19 U H1' H 5.698 0.005 1 152 18 19 U H2' H 4.742 0.005 1 153 18 19 U H3' H 4.454 0.005 1 154 18 19 U H4' H 4.568 0.005 1 155 18 19 U C1' C 93.439 0.005 1 156 18 19 U C2' C 75.476 0.005 1 157 18 19 U C3' C 72.197 0.005 1 158 18 19 U C4' C 81.848 0.005 1 159 19 20 U H2' H 4.274 0.005 1 160 19 20 U H3' H 4.157 0.005 1 161 19 20 U H4' H 4.667 0.005 1 162 19 20 U C2' C 73.569 0.005 1 163 19 20 U C3' C 71.682 0.005 1 164 19 20 U C4' C 82.271 0.005 1 165 20 21 C H1' H 3.424 0.005 1 166 20 21 C H2' H 3.741 0.005 1 167 20 21 C H3' H 4.175 0.005 1 168 20 21 C H4' H 3.11 0.005 1 169 20 21 C C1' C 94.625 0.005 1 170 20 21 C C2' C 74.561 0.005 1 171 20 21 C C3' C 71.786 0.005 1 172 20 21 C C4' C 82.415 0.005 1 173 21 22 A H1' H 5.692 0.005 1 174 21 22 A H2' H 4.243 0.005 1 175 21 22 A H3' H 4.637 0.005 1 176 21 22 A H4' H 4.266 0.005 1 177 21 22 A H5'' H 3.945 0.005 1 178 21 22 A C1' C 92.597 0.005 1 179 21 22 A C2' C 75.476 0.005 1 180 21 22 A C3' C 71.778 0.005 1 181 21 22 A C4' C 81.649 0.005 1 182 21 22 A C5' C 63.533 0.005 1 183 22 23 C H1' H 5.313 0.005 1 184 22 23 C H2' H 4.037 0.005 1 185 22 23 C H3' H 4.311 0.005 1 186 22 23 C H4' H 4.283 0.005 1 187 22 23 C C1' C 93.878 0.005 1 188 22 23 C C2' C 76.253 0.005 1 189 22 23 C C3' C 72.588 0.005 1 190 22 23 C C4' C 82.113 0.005 1 191 23 24 C H1' H 5.378 0.005 1 192 23 24 C H3' H 4.528 0.005 1 193 23 24 C H4' H 4.342 0.005 1 194 23 24 C C1' C 93.77 0.005 1 195 23 24 C C3' C 72.301 0.005 1 196 23 24 C C4' C 81.918 0.005 1 197 24 25 A H1' H 5.804 0.005 1 198 24 25 A H2' H 4.394 0.005 1 199 24 25 A H3' H 4.809 0.005 1 200 24 25 A H4' H 4.471 0.005 1 201 24 25 A H5' H 4.155 0.005 1 202 24 25 A H5'' H 4.554 0.005 1 203 24 25 A C2' C 75.815 0.005 1 204 24 25 A C3' C 72.459 0.005 1 205 24 25 A C4' C 81.854 0.005 1 206 24 25 A C5' C 64.779 0.005 1 207 25 26 A H1' H 5.851 0.005 1 208 25 26 A H2' H 4.457 0.005 1 209 25 26 A H3' H 4.684 0.005 1 210 25 26 A H4' H 4.464 0.005 1 211 25 26 A C1' C 92.217 0.005 1 212 25 26 A C2' C 75.845 0.005 1 213 25 26 A C3' C 72.482 0.005 1 214 25 26 A C4' C 81.763 0.005 1 215 26 27 G H1' H 5.467 0.005 1 216 26 27 G H2' H 4.316 0.005 1 217 26 27 G H3' H 4.317 0.005 1 218 26 27 G H4' H 4.379 0.005 1 219 26 27 G H5' H 4.415 0.005 1 220 26 27 G H5'' H 4.013 0.005 1 221 26 27 G C1' C 92.513 0.005 1 222 26 27 G C2' C 75.548 0.005 1 223 26 27 G C3' C 72.656 0.005 1 224 26 27 G C4' C 81.982 0.005 1 225 26 27 G C5' C 65.712 0.005 1 226 27 28 C H1' H 5.345 0.005 1 227 27 28 C H2' H 4.362 0.005 1 228 27 28 C H3' H 4.495 0.005 1 229 27 28 C H4' H 4.309 0.005 1 230 27 28 C H5' H 4.382 0.005 1 231 27 28 C H5'' H 3.97 0.005 1 232 27 28 C C1' C 94.283 0.005 1 233 27 28 C C2' C 76.27 0.005 1 234 27 28 C C3' C 72.814 0.005 1 235 27 28 C C4' C 82.431 0.005 1 236 27 28 C C5' C 65.652 0.005 1 237 28 29 A H1' H 5.963 0.005 1 238 28 29 A H2' H 4.422 0.005 1 239 28 29 A H3' H 4.534 0.005 1 240 28 29 A H4' H 4.425 0.005 1 241 28 29 A H5' H 4.085 0.005 1 242 28 29 A H5'' H 4.402 0.005 1 243 28 29 A C1' C 91.826 0.005 1 244 28 29 A C2' C 76.42 0.005 1 245 28 29 A C3' C 75.063 0.005 1 246 28 29 A C4' C 83.603 0.005 1 247 28 29 A C5' C 66.469 0.005 1 248 29 30 U H1' H 5.653 0.005 1 249 29 30 U H2' H 4.167 0.005 1 250 29 30 U H3' H 4.52 0.005 1 251 29 30 U H4' H 4.191 0.005 1 252 29 30 U H5' H 3.985 0.005 1 253 29 30 U H5'' H 4.054 0.005 1 254 29 30 U C1' C 90.381 0.005 1 255 29 30 U C2' C 75.799 0.005 1 256 29 30 U C3' C 76.949 0.005 1 257 29 30 U C4' C 84.405 0.005 1 258 29 30 U C5' C 67.326 0.005 1 259 30 31 A H1' H 6.048 0.005 1 260 30 31 A H2' H 4.858 0.005 1 261 30 31 A H3' H 4.789 0.005 1 262 30 31 A H4' H 4.537 0.005 1 263 30 31 A H5' H 4.13 0.005 1 264 30 31 A H5'' H 4.237 0.005 1 265 30 31 A C1' C 90.453 0.005 1 266 30 31 A C2' C 76.029 0.005 1 267 30 31 A C3' C 76.961 0.005 1 268 30 31 A C4' C 85.222 0.005 1 269 30 31 A C5' C 67.913 0.005 1 270 31 32 U H1' H 5.885 0.005 1 271 31 32 U H2' H 4.427 0.005 1 272 31 32 U H3' H 4.684 0.005 1 273 31 32 U H4' H 4.474 0.005 1 274 31 32 U H5' H 4.195 0.005 1 275 31 32 U H5'' H 4.296 0.005 1 276 31 32 U C1' C 91.206 0.005 1 277 31 32 U C2' C 75.584 0.005 1 278 31 32 U C3' C 76.448 0.005 1 279 31 32 U C4' C 84.602 0.005 1 280 31 32 U C5' C 67.556 0.005 1 281 32 33 U H1' H 5.853 0.005 1 282 32 33 U H2' H 4.377 0.005 1 283 32 33 U H3' H 4.675 0.005 1 284 32 33 U H4' H 4.427 0.005 1 285 32 33 U H5' H 4.222 0.005 1 286 32 33 U H5'' H 4.139 0.005 1 287 32 33 U C1' C 91.284 0.005 1 288 32 33 U C2' C 75.541 0.005 1 289 32 33 U C3' C 76.573 0.005 1 290 32 33 U C4' C 84.736 0.005 1 291 32 33 U C5' C 67.625 0.005 1 292 33 34 A H1' H 6.14 0.005 1 293 33 34 A H2' H 4.924 0.005 1 294 33 34 A H3' H 4.871 0.005 1 295 33 34 A H4' H 4.648 0.005 1 296 33 34 A H5' H 4.294 0.005 1 297 33 34 A H5'' H 4.412 0.005 1 298 33 34 A C1' C 90.971 0.005 1 299 33 34 A C2' C 75.928 0.005 1 300 33 34 A C3' C 75.928 0.005 1 301 33 34 A C4' C 84.776 0.005 1 302 33 34 A C5' C 67.401 0.005 1 303 34 35 C H1' H 6.054 0.005 1 304 34 35 C H2' H 4.429 0.005 1 305 34 35 C H3' H 4.803 0.005 1 306 34 35 C H4' H 4.556 0.005 1 307 34 35 C H5' H 4.41 0.005 1 308 34 35 C H5'' H 4.282 0.005 1 309 34 35 C C1' C 92.41 0.005 1 310 34 35 C C2' C 76.722 0.005 1 311 34 35 C C3' C 76.688 0.005 1 312 34 35 C C4' C 85.103 0.005 1 313 34 35 C C5' C 67.983 0.005 1 314 35 36 A H1' H 6.215 0.005 1 315 35 36 A H2' H 4.852 0.005 1 316 35 36 A H3' H 4.666 0.005 1 317 35 36 A H4' H 4.625 0.005 1 318 35 36 A H5' H 4.572 0.005 1 319 35 36 A H5'' H 4.373 0.005 1 320 35 36 A C1' C 93.601 0.005 1 321 35 36 A C2' C 75.844 0.005 1 322 35 36 A C3' C 73.51 0.005 1 323 35 36 A C4' C 83.18 0.005 1 324 35 36 A C5' C 66.211 0.005 1 325 37 38 G H1' H 5.661 0.005 1 326 37 38 G H2' H 4.625 0.005 1 327 37 38 G H3' H 4.447 0.005 1 328 37 38 G H4' H 4.524 0.005 1 329 37 38 G C1' C 93.068 0.005 1 330 37 38 G C2' C 75.338 0.005 1 331 37 38 G C3' C 73.839 0.005 1 332 37 38 G C4' C 82.622 0.005 1 333 38 39 C H1' H 5.889 0.005 1 334 38 39 C H2' H 4.37 0.005 1 335 38 39 C H4' H 4.435 0.005 1 336 38 39 C H5' H 4.271 0.005 1 337 38 39 C H5'' H 4.149 0.005 1 338 38 39 C C1' C 95.289 0.005 1 339 38 39 C C2' C 85.027 0.005 1 340 38 39 C C4' C 86.998 0.005 1 341 38 39 C C5' C 68.172 0.005 1 342 39 40 G H1' H 5.799 0.005 1 343 39 40 G H2' H 4.41 0.005 1 344 39 40 G H3' H 4.802 0.005 1 345 39 40 G H4' H 4.498 0.005 1 346 39 40 G C1' C 92.533 0.005 1 347 39 40 G C2' C 75.871 0.005 1 348 39 40 G C3' C 72.757 0.005 1 349 39 40 G C4' C 81.87 0.005 1 350 40 41 G H1' H 5.982 0.005 1 351 40 41 G H2' H 4.532 0.005 1 352 40 41 G H3' H 4.504 0.005 1 353 40 41 G H4' H 4.47 0.005 1 354 40 41 G C1' C 92.309 0.005 1 355 40 41 G C2' C 76.307 0.005 1 356 40 41 G C3' C 72.454 0.005 1 357 40 41 G C4' C 82.242 0.005 1 358 41 42 A H1' H 5.881 0.005 1 359 41 42 A H2' H 4.622 0.005 1 360 41 42 A H3' H 4.564 0.005 1 361 41 42 A H4' H 4.541 0.005 1 362 41 42 A C1' C 92.549 0.005 1 363 41 42 A C2' C 75.609 0.005 1 364 41 42 A C3' C 72.98 0.005 1 365 41 42 A C4' C 82.876 0.005 1 366 42 43 U H1' H 5.427 0.005 1 367 42 43 U H2' H 4.174 0.005 1 368 42 43 U H3' H 4.455 0.005 1 369 42 43 U H4' H 4.257 0.005 1 370 42 43 U H5' H 4.067 0.005 1 371 42 43 U H5'' H 4.243 0.005 1 372 42 43 U C1' C 91.944 0.005 1 373 42 43 U C2' C 75.741 0.005 1 374 42 43 U C3' C 74.314 0.005 1 375 42 43 U C4' C 83.609 0.005 1 376 42 43 U C5' C 65.637 0.005 1 377 43 44 A H1' H 5.816 0.005 1 378 43 44 A H2' H 4.488 0.005 1 379 43 44 A H3' H 4.829 0.005 1 380 43 44 A H4' H 4.44 0.005 1 381 43 44 A H5' H 4.249 0.005 1 382 43 44 A H5'' H 4.108 0.005 1 383 43 44 A C1' C 91.161 0.005 1 384 43 44 A C2' C 76.081 0.005 1 385 43 44 A C3' C 74.525 0.005 1 386 43 44 A C4' C 83.303 0.005 1 387 43 44 A C5' C 66.117 0.005 1 388 44 45 A H1' H 5.906 0.005 1 389 44 45 A H2' H 4.789 0.005 1 390 44 45 A H3' H 4.739 0.005 1 391 44 45 A H4' H 4.548 0.005 1 392 44 45 A C1' C 91.178 0.005 1 393 44 45 A C2' C 76.243 0.005 1 394 44 45 A C3' C 74.622 0.005 1 395 44 45 A C4' C 83.744 0.005 1 396 46 47 C H1' H 5.451 0.005 1 397 46 47 C H2' H 4.619 0.005 1 398 46 47 C H3' H 4.429 0.005 1 399 46 47 C H4' H 4.429 0.005 1 400 46 47 C H5' H 4.419 0.005 1 401 46 47 C H5'' H 4.127 0.005 1 402 46 47 C C1' C 94.369 0.005 1 403 46 47 C C2' C 76.079 0.005 1 404 46 47 C C3' C 74.048 0.005 1 405 46 47 C C4' C 82.567 0.005 1 406 46 47 C C5' C 67.105 0.005 1 407 47 48 G H1' H 5.742 0.005 1 408 47 48 G H2' H 4.582 0.005 1 409 47 48 G H3' H 4.56 0.005 1 410 47 48 G H4' H 4.472 0.005 1 411 47 48 G C1' C 92.399 0.005 1 412 47 48 G C2' C 75.483 0.005 1 413 47 48 G C3' C 72.772 0.005 1 414 47 48 G C4' C 81.82 0.005 1 415 48 49 C H1' H 5.491 0.005 1 416 48 49 C H2' H 4.431 0.005 1 417 48 49 C H3' H 4.382 0.005 1 418 48 49 C H4' H 4.381 0.005 1 419 48 49 C H5' H 4.098 0.005 1 420 48 49 C H5'' H 4.065 0.005 1 421 48 49 C C1' C 94.369 0.005 1 422 48 49 C C2' C 72.974 0.005 1 423 48 49 C C3' C 76.123 0.005 1 424 48 49 C C4' C 82.45 0.005 1 425 48 49 C C5' C 65.653 0.005 1 426 49 50 C H1' H 5.734 0.005 1 427 49 50 C H2' H 4.174 0.005 1 428 49 50 C H3' H 4.689 0.005 1 429 49 50 C H4' H 4.364 0.005 1 430 49 50 C C1' C 94.664 0.005 1 431 49 50 C C2' C 76.908 0.005 1 432 49 50 C C3' C 73.668 0.005 1 433 49 50 C C4' C 83.135 0.005 1 434 50 51 A H1' H 6.675 0.005 1 435 50 51 A H2' H 4.912 0.005 1 436 50 51 A H3' H 4.889 0.005 1 437 50 51 A H4' H 5.205 0.005 1 438 50 51 A H5' H 4.278 0.005 1 439 50 51 A H5'' H 4.405 0.005 1 440 50 51 A C1' C 87.081 0.005 1 441 50 51 A C2' C 80.069 0.005 1 442 50 51 A C3' C 76.374 0.005 1 443 50 51 A C4' C 84.237 0.005 1 444 50 51 A C5' C 68.159 0.005 1 445 51 52 A H1' H 7.03 0.005 1 446 51 52 A H2' H 5.288 0.005 1 447 51 52 A H3' H 5.08 0.005 1 448 51 52 A H4' H 4.853 0.005 1 449 51 52 A H5' H 4.63 0.005 1 450 51 52 A H5'' H 4.507 0.005 1 451 51 52 A C1' C 94.329 0.005 1 452 51 52 A C2' C 75.552 0.005 1 453 51 52 A C3' C 74.728 0.005 1 454 51 52 A C4' C 85.199 0.005 1 455 51 52 A C5' C 72.008 0.005 1 456 52 53 A H1' H 6.275 0.005 1 457 52 53 A H2' H 4.701 0.005 1 458 52 53 A H3' H 4.734 0.005 1 459 52 53 A H4' H 4.853 0.005 1 460 52 53 A H5' H 4.289 0.005 1 461 52 53 A C1' C 93.228 0.005 1 462 52 53 A C2' C 76.163 0.005 1 463 52 53 A C3' C 72.871 0.005 1 464 52 53 A C4' C 81.853 0.005 1 465 52 53 A C5' C 64.289 0.005 1 466 53 54 G H1' H 5.901 0.005 1 467 53 54 G H2' H 4.55 0.005 1 468 53 54 G H3' H 4.497 0.005 1 469 53 54 G H4' H 4.572 0.005 1 470 53 54 G C1' C 92.276 0.005 1 471 53 54 G C2' C 76.052 0.005 1 472 53 54 G C3' C 73.405 0.005 1 473 53 54 G C4' C 81.804 0.005 1 474 54 55 G H1' H 5.778 0.005 1 475 54 55 G H2' H 4.78 0.005 1 476 54 55 G H3' H 4.452 0.005 1 477 54 55 G H4' H 4.533 0.005 1 478 54 55 G C1' C 93.381 0.005 1 479 54 55 G C2' C 75.299 0.005 1 480 54 55 G C3' C 73.332 0.005 1 481 54 55 G C4' C 82.265 0.005 1 482 55 56 A H1' H 5.944 0.005 1 483 55 56 A H2' H 4.613 0.005 1 484 55 56 A H3' H 4.692 0.005 1 485 55 56 A H4' H 4.516 0.005 1 486 55 56 A H5' H 4.161 0.005 1 487 55 56 A H5'' H 4.578 0.005 1 488 55 56 A C1' C 92.665 0.005 1 489 55 56 A C2' C 75.764 0.005 1 490 55 56 A C3' C 72.41 0.005 1 491 55 56 A C4' C 82.008 0.005 1 492 55 56 A C5' C 64.38 0.005 1 493 56 57 G H1' H 5.437 0.005 1 494 56 57 G H2' H 4.365 0.005 1 495 56 57 G H5'' H 4.063 0.005 1 496 56 57 G C1' C 90.906 0.005 1 497 56 57 G C2' C 81.874 0.005 1 498 56 57 G C5' C 66.751 0.005 1 499 57 58 A H1' H 5.898 0.005 1 500 57 58 A H2' H 4.396 0.005 1 501 57 58 A H3' H 4.583 0.005 1 502 57 58 A H4' H 4.437 0.005 1 503 57 58 A H5' H 4.132 0.005 1 504 57 58 A H5'' H 4.484 0.005 1 505 57 58 A C1' C 92.24 0.005 1 506 57 58 A C2' C 76.35 0.005 1 507 57 58 A C3' C 73.44 0.005 1 508 57 58 A C4' C 82.899 0.005 1 509 57 58 A C5' C 65.155 0.005 1 510 58 59 A H1' H 5.854 0.005 1 511 58 59 A H2' H 4.212 0.005 1 512 58 59 A H3' H 4.327 0.005 1 513 58 59 A H4' H 4.272 0.005 1 514 58 59 A H5' H 4.088 0.005 1 515 58 59 A H5'' H 4.326 0.005 1 516 58 59 A C1' C 90.589 0.005 1 517 58 59 A C2' C 77.726 0.005 1 518 58 59 A C3' C 71.54 0.005 1 519 58 59 A C4' C 85.175 0.005 1 520 58 59 A C5' C 66.36 0.005 1 stop_ save_