data_17406 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a 4X4 Nucleotide RNA Internal Loop from an R2 Retrotransposon ; _BMRB_accession_number 17406 _BMRB_flat_file_name bmr17406.str _Entry_type original _Submission_date 2011-01-11 _Accession_date 2011-01-11 _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 Lerman Yelena V. . 2 Kennedy Scott D. . 3 Turner Douglas H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 "13C chemical shifts" 24 "15N chemical shifts" 8 "31P chemical shifts" 20 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-08-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of a 4 x 4 nucleotide RNA internal loop from an R2 retrotransposon: identification of a three purine-purine sheared pair motif and comparison to MC-SYM predictions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21778280 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lerman Yelena V. . 2 Kennedy Scott D. . 3 Shankar Neelaabh . . 4 Parisien Marc . . 5 Major Francois . . 6 Turner Douglas H. . stop_ _Journal_abbreviation RNA _Journal_name_full 'RNA (New York, N.Y.)' _Journal_volume 17 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1664 _Page_last 1677 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3')' $RNA_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') 'RNA (5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3')' $RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') 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_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') _Molecular_mass 3522.178 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence GUGAAGCCCGU loop_ _Residue_seq_code _Residue_label 1 G 2 U 3 G 4 A 5 A 6 G 7 C 8 C 9 C 10 G 11 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') _Molecular_mass 3545.218 _Mol_thiol_state . _Details . _Residue_count 11 _Mol_residue_sequence CGGAGGACACU loop_ _Residue_seq_code _Residue_label 1 C 2 G 3 G 4 A 5 G 6 G 7 A 8 C 9 A 10 C 11 U 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 $RNA_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') silkworm 7091 Eukaryota Metazoa Bombyx mori $RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') silkworm 7091 Eukaryota Metazoa Bombyx mori 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_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') 'chemical synthesis' . . . . . $RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') 1.5 mM 'natural abundance' $RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') 1.5 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3') 1.5 mM 'natural abundance' $RNA_(5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3') 1.5 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 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-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_31P-1H_COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 31P-1H COSY' _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 temperature 273 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.1 . M stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 5 . pH pressure 1 . atm 'ionic strength' 0.1 . M stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.1 . M 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.40480721 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 31P-1H COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*GP*UP*GP*AP*AP*GP*CP*CP*CP*GP*U)-3')' _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 13.191 0.004 1 2 1 1 G H1' H 5.839 0.004 1 3 1 1 G H2' H 4.780 0.004 1 4 1 1 G H3' H 4.499 0.004 1 5 1 1 G H4' H 4.422 0.004 1 6 1 1 G H8 H 8.081 0.004 1 7 1 1 G H21 H 8.632 0.004 2 8 1 1 G H22 H 6.598 0.004 2 9 1 1 G C8 C 139.186 0.020 1 10 2 2 U H1' H 5.610 0.004 1 11 2 2 U H2' H 4.677 0.004 1 12 2 2 U H3 H 13.508 0.004 1 13 2 2 U H3' H 4.636 0.004 1 14 2 2 U H4' H 4.495 0.004 1 15 2 2 U H5 H 5.059 0.004 1 16 2 2 U H6 H 7.876 0.004 1 17 2 2 U C6 C 142.208 0.020 1 18 2 2 U P P -1.222 0.020 1 19 3 3 G H1 H 12.401 0.004 1 20 3 3 G H1' H 5.841 0.004 1 21 3 3 G H2' H 4.946 0.004 1 22 3 3 G H3' H 4.511 0.004 1 23 3 3 G H4' H 4.548 0.004 1 24 3 3 G H8 H 7.570 0.004 1 25 3 3 G H21 H 8.190 0.004 2 26 3 3 G H22 H 6.175 0.004 2 27 3 3 G C8 C 136.342 0.020 1 28 3 3 G P P -0.470 0.020 1 29 4 4 A H1' H 5.476 0.004 1 30 4 4 A H2 H 9.385 0.004 1 31 4 4 A H2' H 4.434 0.004 1 32 4 4 A H3' H 4.874 0.004 1 33 4 4 A H4' H 4.618 0.004 1 34 4 4 A H8 H 8.104 0.004 1 35 4 4 A C8 C 139.980 0.020 1 36 4 4 A P P -0.754 0.020 1 37 5 5 A H1' H 5.665 0.004 1 38 5 5 A H2 H 7.136 0.004 1 39 5 5 A H2' H 4.543 0.004 1 40 5 5 A H3' H 4.798 0.004 1 41 5 5 A H4' H 4.589 0.004 1 42 5 5 A H8 H 8.583 0.004 1 43 5 5 A C2 C 152.542 0.020 1 44 5 5 A C8 C 142.382 0.020 1 45 5 5 A P P -1.869 0.020 1 46 6 6 G H1 H 10.803 0.004 1 47 6 6 G H1' H 5.862 0.004 1 48 6 6 G H2' H 4.645 0.004 1 49 6 6 G H3' H 4.561 0.004 1 50 6 6 G H4' H 4.504 0.004 1 51 6 6 G H8 H 7.688 0.004 1 52 6 6 G H21 H 6.581 0.004 2 53 6 6 G H22 H 6.581 0.004 2 54 6 6 G C8 C 136.984 0.020 1 55 6 6 G P P -1.259 0.020 1 56 7 7 C H1' H 5.415 0.004 1 57 7 7 C H2' H 4.212 0.004 1 58 7 7 C H3' H 4.367 0.004 1 59 7 7 C H4' H 4.389 0.004 1 60 7 7 C H5 H 5.528 0.004 1 61 7 7 C H6 H 7.472 0.004 1 62 7 7 C H41 H 8.230 0.004 2 63 7 7 C H42 H 7.245 0.004 2 64 7 7 C C6 C 139.342 0.020 1 65 7 7 C P P -1.049 0.020 1 66 8 8 C H1' H 5.587 0.004 1 67 8 8 C H2' H 4.311 0.004 1 68 8 8 C H3' H 4.476 0.004 1 69 8 8 C H4' H 4.386 0.004 1 70 8 8 C H5 H 5.721 0.004 1 71 8 8 C H6 H 7.698 0.004 1 72 8 8 C H41 H 8.486 0.004 2 73 8 8 C H42 H 7.181 0.004 2 74 8 8 C P P -0.969 0.020 1 75 9 9 C H1' H 5.423 0.004 1 76 9 9 C H2' H 4.414 0.004 1 77 9 9 C H3' H 4.508 0.004 1 78 9 9 C H4' H 4.380 0.004 1 79 9 9 C H5 H 5.500 0.004 1 80 9 9 C H6 H 7.733 0.004 1 81 9 9 C H41 H 8.216 0.004 2 82 9 9 C H42 H 6.894 0.004 2 83 9 9 C P P -1.101 0.020 1 84 10 10 G H1' H 5.709 0.004 1 85 10 10 G H2' H 4.327 0.004 1 86 10 10 G H3' H 4.423 0.004 1 87 10 10 G H4' H 4.385 0.004 1 88 10 10 G H8 H 7.442 0.004 1 89 10 10 G C8 C 136.514 0.020 1 90 10 10 G P P -0.750 0.020 1 91 11 11 U H1' H 5.666 0.004 1 92 11 11 U H2' H 4.020 0.004 1 93 11 11 U H3' H 4.129 0.004 1 94 11 11 U H4' H 4.155 0.004 1 95 11 11 U H5 H 5.339 0.004 1 96 11 11 U H6 H 7.554 0.004 1 97 11 11 U C6 C 142.386 0.020 1 98 11 11 U P P -0.911 0.020 1 99 1 1 G N1 N 148.388 0.030 1 100 2 2 U N3 N 161.966 0.030 1 101 3 3 G N1 N 147.014 0.030 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 31P-1H COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (5'-R(*CP*GP*GP*AP*GP*GP*AP*CP*AP*CP*U)-3')' _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 12 1 C H1' H 5.704 0.004 1 2 12 1 C H2' H 4.680 0.004 1 3 12 1 C H3' H 4.615 0.004 1 4 12 1 C H4' H 4.401 0.004 1 5 12 1 C H5 H 6.051 0.004 1 6 12 1 C H6 H 8.099 0.004 1 7 12 1 C C6 C 143.338 0.020 1 8 13 2 G H1 H 12.365 0.004 1 9 13 2 G H1' H 5.815 0.004 1 10 13 2 G H2' H 4.686 0.004 1 11 13 2 G H3' H 4.646 0.004 1 12 13 2 G H4' H 4.558 0.004 1 13 13 2 G H8 H 7.810 0.004 1 14 13 2 G H21 H 8.050 0.004 2 15 13 2 G H22 H 6.021 0.004 2 16 13 2 G C8 C 136.979 0.020 1 17 13 2 G P P -0.630 0.020 1 18 14 3 G H1 H 12.162 0.004 1 19 14 3 G H1' H 5.666 0.004 1 20 14 3 G H2' H 4.545 0.004 1 21 14 3 G H3' H 4.654 0.004 1 22 14 3 G H4' H 4.468 0.004 1 23 14 3 G H8 H 7.338 0.004 1 24 14 3 G C8 C 136.672 0.020 1 25 14 3 G P P -1.271 0.020 1 26 15 4 A H1' H 5.820 0.004 1 27 15 4 A H2 H 7.868 0.004 1 28 15 4 A H2' H 4.533 0.004 1 29 15 4 A H3' H 4.591 0.004 1 30 15 4 A H8 H 7.769 0.004 1 31 15 4 A C2 C 155.826 0.020 1 32 15 4 A C8 C 138.681 0.020 1 33 15 4 A P P -1.272 0.020 1 34 16 5 G H1 H 11.065 0.004 1 35 16 5 G H1' H 5.131 0.004 1 36 16 5 G H2' H 3.615 0.004 1 37 16 5 G H3' H 4.423 0.004 1 38 16 5 G H4' H 4.257 0.004 1 39 16 5 G H8 H 7.281 0.004 1 40 16 5 G H21 H 6.223 0.004 2 41 16 5 G H22 H 6.223 0.004 2 42 16 5 G C8 C 136.136 0.020 1 43 16 5 G P P -1.000 0.020 1 44 17 6 G H1 H 10.587 0.004 1 45 17 6 G H1' H 5.798 0.004 1 46 17 6 G H2' H 4.939 0.004 1 47 17 6 G H3' H 5.065 0.004 1 48 17 6 G H4' H 4.728 0.004 1 49 17 6 G H8 H 8.141 0.004 1 50 17 6 G H21 H 9.380 0.004 2 51 17 6 G H22 H 5.436 0.004 2 52 17 6 G C8 C 139.715 0.020 1 53 17 6 G P P -1.768 0.020 1 54 18 7 A H1' H 5.621 0.004 1 55 18 7 A H2 H 7.805 0.004 1 56 18 7 A H2' H 4.792 0.004 1 57 18 7 A H3' H 4.547 0.004 1 58 18 7 A H4' H 4.569 0.004 1 59 18 7 A H8 H 8.192 0.004 1 60 18 7 A C2 C 153.542 0.020 1 61 18 7 A C8 C 141.296 0.020 1 62 18 7 A P P 2.426 0.020 1 63 19 8 C H1' H 3.935 0.004 1 64 19 8 C H2' H 4.313 0.004 1 65 19 8 C H3' H 4.407 0.004 1 66 19 8 C H4' H 4.238 0.004 1 67 19 8 C H5 H 6.124 0.004 1 68 19 8 C H6 H 7.647 0.004 1 69 19 8 C H41 H 6.888 0.004 2 70 19 8 C H42 H 8.207 0.004 2 71 19 8 C C6 C 140.084 0.020 1 72 19 8 C P P -1.375 0.020 1 73 20 9 A H1' H 5.898 0.004 1 74 20 9 A H2 H 7.384 0.004 1 75 20 9 A H2' H 4.495 0.004 1 76 20 9 A H3' H 4.598 0.004 1 77 20 9 A H4' H 4.449 0.004 1 78 20 9 A H8 H 8.010 0.004 1 79 20 9 A H61 H 8.116 0.004 2 80 20 9 A H62 H 6.478 0.004 2 81 20 9 A C2 C 153.493 0.020 1 82 20 9 A C8 C 139.664 0.020 1 83 20 9 A P P -1.041 0.020 1 84 21 10 C H1' H 5.395 0.004 1 85 21 10 C H2' H 4.182 0.004 1 86 21 10 C H3' H 4.166 0.004 1 87 21 10 C H4' H 4.343 0.004 1 88 21 10 C H5 H 5.117 0.004 1 89 21 10 C H6 H 7.316 0.004 1 90 21 10 C H41 H 7.087 0.004 2 91 21 10 C H42 H 8.301 0.004 2 92 21 10 C C6 C 140.560 0.020 1 93 21 10 C P P -1.001 0.020 1 94 22 11 U H1' H 5.645 0.004 1 95 22 11 U H2' H 3.913 0.004 1 96 22 11 U H3 H 10.873 0.004 1 97 22 11 U H3' H 4.118 0.004 1 98 22 11 U H4' H 4.102 0.004 1 99 22 11 U H5 H 5.443 0.004 1 100 22 11 U H6 H 7.671 0.004 1 101 22 11 U C6 C 142.314 0.020 1 102 22 11 U P P -0.830 0.020 1 103 13 2 G N1 N 147.014 0.030 1 104 14 3 G N1 N 146.295 0.030 1 105 16 5 G N1 N 146.011 0.030 1 106 17 6 G N1 N 146.570 0.030 1 107 22 11 U N3 N 158.401 0.030 1 stop_ save_