data_30701 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 61 nt human Hepatitis B virus epsilon pre-genomic RNA ; _BMRB_accession_number 30701 _BMRB_flat_file_name bmr30701.str _Entry_type original _Submission_date 2019-12-17 _Accession_date 2019-12-17 _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 LeBlanc R. M. . 2 Kasprzak W. K. . 3 Longhini A. P. . 4 Abulwerdi F. . . 5 Ginocchio S. . . 6 Shields B. . . 7 Nyman J. . . 8 Svirydava M. . . 9 'Del Vecchio' C. . . 10 Ivanic J. . . 11 Schneekloth J. S. . 12 Dayie T. K. . 13 Shapiro B. A. . 14 'Le Grice' S. F.J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 283 "13C chemical shifts" 164 "15N chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-26 original BMRB . stop_ _Original_release_date 2020-01-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insights of the conserved 'priming loop' of Hepatitis B virus pre-genomic RNA and its therapeutic potential. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 LeBlanc R. M. . 2 Kasprzak W. K. . 3 Longhini A. P. . 4 Abulwerdi F. . . 5 Ginocchio S. . . 6 Shields B. . . 7 Nyman J. . . 8 Svirydava M. . . 9 'Del Vecchio' C. . . 10 Ivanic J. . . 11 Schneekloth J. S. . 12 Dayie T. K. . 13 Shapiro B. A. . 14 'Le Grice' S. F.J. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA (61-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_1 _Molecular_mass 19541.488 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GGUUCAUGUCCUACUGUUCA AGCCUCCAAGCUGUGCCUUG GGUGGCUUUGGGGCAUGGAC C ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 U 4 U 5 C 6 A 7 U 8 G 9 U 10 C 11 C 12 U 13 A 14 C 15 U 16 G 17 U 18 U 19 C 20 A 21 A 22 G 23 C 24 C 25 U 26 C 27 C 28 A 29 A 30 G 31 C 32 U 33 G 34 U 35 G 36 C 37 C 38 U 39 U 40 G 41 G 42 G 43 U 44 G 45 G 46 C 47 U 48 U 49 U 50 G 51 G 52 G 53 G 54 C 55 A 56 U 57 G 58 G 59 A 60 C 61 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 $entity_1 HBV 10407 Viruses . Orthohepadnavirus HBV 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.8 mM, Fully Labeled [U-13C; U-15N] RNA (61-MER), 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.8 mM, selective labeled [U-13C; U-15N], A, C, G, U; RNA (61-MER), 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details "0.7 mM 13C-selective RNA (61-MER), 13C-1',6-UC; 13C-1',8-G; 13C-2',8-A; 100% D2O" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM 13C-selective stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Ultrashield Plus' _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_2 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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_2 save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HCN_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCN' _Sample_label $sample_1 save_ save_2D_HNCCNCH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCCNCH' _Sample_label $sample_2 save_ save_Filter/Edit_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'Filter/Edit NOESY' _Sample_label $sample_3 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' 10 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H NOESY' '3D HCN' '2D HNCCNCH' 'Filter/Edit NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 12.82223988 0.03 1 2 1 1 G H1' H 5.845909595 0.03 1 3 1 1 G H2' H 4.967179294 0.03 1 4 1 1 G H3' H 4.707859511 0.03 1 5 1 1 G H8 H 8.154648781 0.03 1 6 1 1 G C1' C 91.70180511 0.03 1 7 1 1 G C8 C 139.1702423 0.03 1 8 1 1 G N1 N 147.3294067 0.03 1 9 2 2 G H1 H 13.42475986 0.03 1 10 2 2 G H1' H 5.945299625 0.03 1 11 2 2 G H8 H 7.525828838 0.03 1 12 2 2 G C1' C 93.12581635 0.03 1 13 2 2 G C8 C 136.8923798 0.03 1 14 2 2 G N1 N 148.2738342 0.03 1 15 3 3 U H1' H 5.578409195 0.03 1 16 3 3 U H2' H 4.701439376 0.03 1 17 3 3 U H3 H 14.33440018 0.03 1 18 3 3 U H5 H 5.109508991 0.03 1 19 3 3 U H6 H 7.686018944 0.03 1 20 3 3 U C1' C 93.87700653 0.03 1 21 3 3 U C5 C 102.7949371 0.03 1 22 3 3 U C6 C 141.4422607 0.03 1 23 3 3 U N3 N 162.0316467 0.03 1 24 4 4 U H1' H 5.542629242 0.03 1 25 4 4 U H2' H 4.189499373 0.03 1 26 4 4 U H3 H 11.97616959 0.03 1 27 4 4 U H5 H 5.806658745 0.03 1 28 4 4 U H6 H 7.982179165 0.03 1 29 4 4 U C1' C 94.19152832 0.03 1 30 4 4 U C5 C 104.8510971 0.03 1 31 4 4 U C6 C 141.3919983 0.03 1 32 4 4 U N3 N 158.6423492 0.03 1 33 5 5 C H1' H 5.460609436 0.03 1 34 5 5 C H2' H 4.475769515 0.03 1 35 5 5 C H5 H 5.710068703 0.03 1 36 5 5 C H6 H 7.940989017 0.03 1 37 5 5 C C1' C 93.53410339 0.03 1 38 5 5 C C5 C 97.73734283 0.03 1 39 5 5 C C6 C 142.1364899 0.03 1 40 6 6 A H1' H 5.836729527 0.03 1 41 6 6 A H2 H 7.29681921 0.03 1 42 6 6 A H2' H 4.469729419 0.03 1 43 6 6 A H8 H 8.05933857 0.03 1 44 6 6 A C1' C 93.00444794 0.03 1 45 6 6 A C2 C 153.1143494 0.03 1 46 6 6 A C8 C 139.6008301 0.03 1 47 7 7 U H1' H 5.474979401 0.03 1 48 7 7 U H2' H 4.4249196 0.03 1 49 7 7 U H3 H 13.3785696 0.03 1 50 7 7 U H5 H 5.053339005 0.03 1 51 7 7 U H6 H 7.652449131 0.03 1 52 7 7 U C1' C 93.06482697 0.03 1 53 7 7 U C5 C 103.0933914 0.03 1 54 7 7 U C6 C 140.8735809 0.03 1 55 7 7 U N3 N 161.7825012 0.03 1 56 8 8 G H1 H 12.66868019 0.03 1 57 8 8 G H1' H 5.780709267 0.03 1 58 8 8 G H8 H 7.620998859 0.03 1 59 8 8 G C1' C 92.84520721 0.03 1 60 8 8 G C8 C 136.0486908 0.03 1 61 8 8 G N1 N 147.5177155 0.03 1 62 9 9 U H1' H 5.418349266 0.03 1 63 9 9 U H2' H 4.095779414 0.03 1 64 9 9 U H3 H 12.10225964 0.03 1 65 9 9 U H5 H 5.437788963 0.03 1 66 9 9 U H6 H 7.758059025 0.03 1 67 9 9 U C1' C 93.49517822 0.03 1 68 9 9 U C5 C 103.9848175 0.03 1 69 9 9 U C6 C 140.4965973 0.03 1 70 9 9 U N3 N 158.8538971 0.03 1 71 10 10 C H1' H 5.591229439 0.03 1 72 10 10 C H2' H 4.371269221 0.03 1 73 10 10 C H5 H 5.622879028 0.03 1 74 10 10 C H6 H 7.912858963 0.03 1 75 10 10 C C1' C 93.54990387 0.03 1 76 10 10 C C5 C 97.38778687 0.03 1 77 10 10 C C6 C 142.4141693 0.03 1 78 11 11 C H1' H 5.420479298 0.03 1 79 11 11 C H2' H 4.60015964 0.03 1 80 11 11 C H5 H 5.475978851 0.03 1 81 11 11 C H6 H 7.637419224 0.03 1 82 11 11 C C1' C 94.16135406 0.03 1 83 11 11 C C5 C 97.77031708 0.03 1 84 11 11 C C6 C 141.3006287 0.03 1 85 12 12 U H1' H 5.594709396 0.03 1 86 12 12 U H2' H 4.296629424 0.03 1 87 12 12 U H3 H 11.55062008 0.03 1 88 12 12 U H5 H 5.667258739 0.03 1 89 12 12 U H6 H 7.800529003 0.03 1 90 12 12 U C1' C 93.96120453 0.03 1 91 12 12 U C5 C 104.8542023 0.03 1 92 12 12 U C6 C 140.9983978 0.03 1 93 12 12 U N3 N 157.8261566 0.03 1 94 13 13 A H1' H 5.790009499 0.03 1 95 13 13 A H2 H 7.499558926 0.03 1 96 13 13 A H2' H 4.419319625 0.03 1 97 13 13 A H8 H 8.074309349 0.03 1 98 13 13 A C1' C 92.62160492 0.03 1 99 13 13 A C2 C 154.2441101 0.03 1 100 13 13 A C8 C 139.9602509 0.03 1 101 14 14 C H1' H 5.395049572 0.03 1 102 14 14 C H2' H 3.99877953 0.03 1 103 14 14 C H3' H 4.310209269 0.03 1 104 14 14 C H4' H 4.228539462 0.03 1 105 14 14 C H5 H 5.290148735 0.03 1 106 14 14 C H6 H 7.356978893 0.03 1 107 14 14 C C1' C 92.74542999 0.03 1 108 14 14 C C5 C 97.30748749 0.03 1 109 14 14 C C6 C 141.3384857 0.03 1 110 15 15 U H1' H 5.66326952 0.03 1 111 15 15 U H2' H 4.130139346 0.03 1 112 15 15 U H3' H 4.453449244 0.03 1 113 15 15 U H4' H 4.130139346 0.03 1 114 15 15 U H5 H 5.574138641 0.03 1 115 15 15 U H6 H 7.574129105 0.03 1 116 15 15 U C1' C 90.86811829 0.03 1 117 15 15 U C5 C 105.0012131 0.03 1 118 15 15 U C6 C 142.8019104 0.03 1 119 16 16 G H1' H 5.741709232 0.03 1 120 16 16 G H2' H 4.76770925 0.03 1 121 16 16 G H3' H 4.395379538 0.03 1 122 16 16 G H4' H 4.395379538 0.03 1 123 16 16 G H5' H 4.136169429 0.03 1 124 16 16 G H5'' H 4.065419431 0.03 1 125 16 16 G H8 H 7.856079102 0.03 1 126 16 16 G C1' C 90.37030792 0.03 1 127 16 16 G C8 C 140.1742859 0.03 1 128 17 17 U H1' H 5.836689472 0.03 1 129 17 17 U H2' H 4.307809348 0.03 1 130 17 17 U H3' H 4.57042932 0.03 1 131 17 17 U H4' H 4.361689563 0.03 1 132 17 17 U H5 H 5.724068642 0.03 1 133 17 17 U H6 H 7.732748985 0.03 1 134 17 17 U C1' C 90.79416656 0.03 1 135 17 17 U C5 C 105.1236725 0.03 1 136 17 17 U C6 C 143.6438904 0.03 1 137 18 18 U H1' H 5.622339249 0.03 1 138 18 18 U H2' H 4.241169448 0.03 1 139 18 18 U H3' H 4.505389686 0.03 1 140 18 18 U H4' H 4.241169448 0.03 1 141 18 18 U H5 H 5.652858734 0.03 1 142 18 18 U H6 H 7.569388866 0.03 1 143 18 18 U C1' C 90.68883514 0.03 1 144 18 18 U C5 C 104.9253464 0.03 1 145 18 18 U C6 C 143.1878204 0.03 1 146 19 19 C H1' H 5.804469585 0.03 1 147 19 19 C H2' H 4.40039968 0.03 1 148 19 19 C H3' H 4.445529456 0.03 1 149 19 19 C H4' H 4.54672956 0.03 1 150 19 19 C H5 H 5.782678604 0.03 1 151 19 19 C H6 H 7.738688946 0.03 1 152 19 19 C C1' C 92.26493835 0.03 1 153 19 19 C C5 C 98.61710358 0.03 1 154 19 19 C C6 C 142.8732605 0.03 1 155 20 20 A H1' H 5.856509209 0.03 1 156 20 20 A H2 H 7.408799171 0.03 1 157 20 20 A H2' H 4.735959525 0.03 1 158 20 20 A H8 H 8.289038658 0.03 1 159 20 20 A C1' C 91.97820282 0.03 1 160 20 20 A C2 C 153.3234406 0.03 1 161 20 20 A C8 C 140.8096619 0.03 1 162 21 21 A H1' H 5.936059475 0.03 1 163 21 21 A H2 H 7.645139217 0.03 1 164 21 21 A H2' H 4.60263967 0.03 1 165 21 21 A H8 H 7.904229164 0.03 1 166 21 21 A C1' C 92.37609863 0.03 1 167 21 21 A C2 C 153.4043579 0.03 1 168 21 21 A C8 C 139.5108795 0.03 1 169 22 22 G H1 H 13.50588989 0.03 1 170 22 22 G H1' H 5.671409607 0.03 1 171 22 22 G H2' H 4.395109649 0.03 1 172 22 22 G H8 H 7.283308983 0.03 1 173 22 22 G C1' C 92.50014496 0.03 1 174 22 22 G C8 C 135.718689 0.03 1 175 22 22 G N1 N 148.3392334 0.03 1 176 23 23 C H1' H 5.533319473 0.03 1 177 23 23 C H2' H 4.471879477 0.03 1 178 23 23 C H5 H 5.182458878 0.03 1 179 23 23 C H6 H 7.581648827 0.03 1 180 23 23 C C1' C 93.69748688 0.03 1 181 23 23 C C5 C 97.10289764 0.03 1 182 23 23 C C6 C 140.7653198 0.03 1 183 24 24 C H1' H 5.539809227 0.03 1 184 24 24 C H2' H 4.47103929 0.03 1 185 24 24 C H5 H 5.520458698 0.03 1 186 24 24 C H6 H 7.58658886 0.03 1 187 24 24 C C1' C 94.30630493 0.03 1 188 24 24 C C5 C 98.18869019 0.03 1 189 24 24 C C6 C 140.8969116 0.03 1 190 25 25 U H1' H 5.636549473 0.03 1 191 25 25 U H2' H 4.143679614 0.03 1 192 25 25 U H3 H 11.79961014 0.03 1 193 25 25 U H5 H 5.696818829 0.03 1 194 25 25 U H6 H 7.946319103 0.03 1 195 25 25 U C1' C 93.90042877 0.03 1 196 25 25 U C5 C 104.6092224 0.03 1 197 25 25 U C6 C 141.3237305 0.03 1 198 25 25 U N3 N 158.2975006 0.03 1 199 26 26 C H1' H 5.464609623 0.03 1 200 26 26 C H2' H 4.558739657 0.03 1 201 26 26 C H5 H 5.722378731 0.03 1 202 26 26 C H6 H 8.008209229 0.03 1 203 26 26 C C1' C 93.58890533 0.03 1 204 26 26 C C5 C 97.32647705 0.03 1 205 26 26 C C6 C 142.4065704 0.03 1 206 27 27 C H1' H 5.365309238 0.03 1 207 27 27 C H2' H 4.471709247 0.03 1 208 27 27 C H5 H 5.515099049 0.03 1 209 27 27 C H6 H 7.71681881 0.03 1 210 27 27 C C1' C 94.10891724 0.03 1 211 27 27 C C5 C 97.66606903 0.03 1 212 27 27 C C6 C 141.2102203 0.03 1 213 28 28 A H1' H 5.848279476 0.03 1 214 28 28 A H2 H 6.728899002 0.03 1 215 28 28 A H2' H 4.674669261 0.03 1 216 28 28 A H8 H 8.014009476 0.03 1 217 28 28 A C1' C 92.80152893 0.03 1 218 28 28 A C2 C 152.2547607 0.03 1 219 28 28 A C8 C 139.7120209 0.03 1 220 29 29 A H1' H 5.804209232 0.03 1 221 29 29 A H2 H 7.323409081 0.03 1 222 29 29 A H2' H 4.526059151 0.03 1 223 29 29 A H8 H 7.703079224 0.03 1 224 29 29 A C1' C 92.66890717 0.03 1 225 29 29 A C2 C 152.8663788 0.03 1 226 29 29 A C8 C 138.9832764 0.03 1 227 30 30 G H1 H 13.32738018 0.03 1 228 30 30 G H1' H 5.57749939 0.03 1 229 30 30 G H2' H 4.124159331 0.03 1 230 30 30 G H8 H 7.24932909 0.03 1 231 30 30 G C1' C 93.110466 0.03 1 232 30 30 G C8 C 135.9916992 0.03 1 233 30 30 G N1 N 147.8721161 0.03 1 234 31 31 C H1' H 5.83343935 0.03 1 235 31 31 C H2' H 4.262349601 0.03 1 236 31 31 C H5 H 5.162518978 0.03 1 237 31 31 C H6 H 7.46586895 0.03 1 238 31 31 C C1' C 91.49981689 0.03 1 239 31 31 C C5 C 97.93302917 0.03 1 240 31 31 C C6 C 141.7926483 0.03 1 241 32 32 U H1' H 5.770979404 0.03 1 242 32 32 U H2' H 4.283409591 0.03 1 243 32 32 U H3' H 4.539759631 0.03 1 244 32 32 U H4' H 4.007049556 0.03 1 245 32 32 U H5 H 5.799278736 0.03 1 246 32 32 U H6 H 7.749789238 0.03 1 247 32 32 U C1' C 91.17472839 0.03 1 248 32 32 U C5 C 105.0855865 0.03 1 249 32 32 U C6 C 143.4496765 0.03 1 250 33 33 G H1' H 5.725839615 0.03 1 251 33 33 G H2' H 4.817669387 0.03 1 252 33 33 G H3' H 4.701309676 0.03 1 253 33 33 G H4' H 4.390009398 0.03 1 254 33 33 G H8 H 7.917499065 0.03 1 255 33 33 G C1' C 89.21272278 0.03 1 256 33 33 G C8 C 140.5584412 0.03 1 257 34 34 U H1' H 5.540839195 0.03 1 258 34 34 U H2' H 4.078789229 0.03 1 259 34 34 U H3' H 4.47929954 0.03 1 260 34 34 U H4' H 3.750709529 0.03 1 261 34 34 U H5 H 5.665919781 0.03 1 262 34 34 U H6 H 7.590319157 0.03 1 263 34 34 U C1' C 89.47889709 0.03 1 264 34 34 U C5 C 105.1019669 0.03 1 265 34 34 U C6 C 143.4460602 0.03 1 266 35 35 G H1 H 13.11320972 0.03 1 267 35 35 G H1' H 5.851499557 0.03 1 268 35 35 G H2' H 4.872069354 0.03 1 269 35 35 G H3' H 4.97515964 0.03 1 270 35 35 G H4' H 4.411589618 0.03 1 271 35 35 G H8 H 7.840098858 0.03 1 272 35 35 G C1' C 88.75289917 0.03 1 273 35 35 G C8 C 138.1198883 0.03 1 274 35 35 G N1 N 148.5184174 0.03 1 275 36 36 C H1' H 5.992889404 0.03 1 276 36 36 C H2' H 4.541589255 0.03 1 277 36 36 C H3' H 4.728809352 0.03 1 278 36 36 C H4' H 4.460909362 0.03 1 279 36 36 C H5 H 6.098898888 0.03 1 280 36 36 C H5' H 4.406829352 0.03 1 281 36 36 C H5'' H 4.266409392 0.03 1 282 36 36 C H6 H 7.845269203 0.03 1 283 36 36 C C1' C 93.64916992 0.03 1 284 36 36 C C5 C 99.25106049 0.03 1 285 36 36 C C6 C 144.64534 0.03 1 286 37 37 C H1' H 5.4324193 0.03 1 287 37 37 C H2' H 4.479119298 0.03 1 288 37 37 C H5 H 5.557108879 0.03 1 289 37 37 C H6 H 7.682019234 0.03 1 290 37 37 C C1' C 94.72084808 0.03 1 291 37 37 C C5 C 97.85733032 0.03 1 292 37 37 C C6 C 141.4204407 0.03 1 293 38 38 U H1' H 5.591409206 0.03 1 294 38 38 U H2' H 4.509109492 0.03 1 295 38 38 U H3 H 14.28960991 0.03 1 296 38 38 U H5 H 5.488338947 0.03 1 297 38 38 U H6 H 8.008209229 0.03 1 298 38 38 U C1' C 93.8391037 0.03 1 299 38 38 U C5 C 103.0733109 0.03 1 300 38 38 U C6 C 142.4065704 0.03 1 301 38 38 U N3 N 162.5341644 0.03 1 302 39 39 U H1' H 5.623109341 0.03 1 303 39 39 U H3 H 13.11050034 0.03 1 304 39 39 U H5 H 5.601228714 0.03 1 305 39 39 U H6 H 7.932199001 0.03 1 306 39 39 U C1' C 93.20420837 0.03 1 307 39 39 U C5 C 103.7324066 0.03 1 308 39 39 U C6 C 141.8118286 0.03 1 309 39 39 U N3 N 162.1286163 0.03 1 310 40 40 G H1 H 11.95810986 0.03 1 311 40 40 G H1' H 5.736949444 0.03 1 312 40 40 G H2' H 4.641989226 0.03 1 313 40 40 G H8 H 7.654308796 0.03 1 314 40 40 G C1' C 92.55175781 0.03 1 315 40 40 G C8 C 136.2042389 0.03 1 316 40 40 G N1 N 146.4648438 0.03 1 317 41 41 G H1 H 12.82495022 0.03 1 318 41 41 G H1' H 5.57749939 0.03 1 319 41 41 G H2' H 4.517639632 0.03 1 320 41 41 G H8 H 7.02436924 0.03 1 321 41 41 G C1' C 93.17580414 0.03 1 322 41 41 G C8 C 136.1652374 0.03 1 323 41 41 G N1 N 148.3398438 0.03 1 324 42 42 G H1 H 10.57703972 0.03 1 325 42 42 G H1' H 5.806659222 0.03 1 326 42 42 G H2' H 4.395999427 0.03 1 327 42 42 G H3' H 4.615229602 0.03 1 328 42 42 G H4' H 4.518439288 0.03 1 329 42 42 G H8 H 7.434978962 0.03 1 330 42 42 G C1' C 90.02773285 0.03 1 331 42 42 G C8 C 137.960968 0.03 1 332 42 42 G N1 N 145.2740021 0.03 1 333 43 43 U H1' H 5.793399811 0.03 1 334 43 43 U H5 H 5.803608894 0.03 1 335 43 43 U H6 H 7.84939909 0.03 1 336 43 43 U C1' C 92.64800262 0.03 1 337 43 43 U C5 C 104.5443497 0.03 1 338 43 43 U C6 C 143.6277618 0.03 1 339 44 44 G H1 H 12.82083035 0.03 1 340 44 44 G H1' H 5.78330946 0.03 1 341 44 44 G H8 H 7.630329132 0.03 1 342 44 44 G C1' C 92.69250488 0.03 1 343 44 44 G C8 C 137.2991486 0.03 1 344 44 44 G N1 N 147.9275818 0.03 1 345 45 45 G H1 H 13.19511032 0.03 1 346 45 45 G H1' H 5.853129387 0.03 1 347 45 45 G H2' H 4.64104938 0.03 1 348 45 45 G H8 H 7.446098804 0.03 1 349 45 45 G C1' C 93.26428986 0.03 1 350 45 45 G C8 C 136.8035889 0.03 1 351 45 45 G N1 N 148.6907043 0.03 1 352 46 46 C H1' H 5.592689514 0.03 1 353 46 46 C H2' H 4.460839267 0.03 1 354 46 46 C H5 H 5.252878666 0.03 1 355 46 46 C H6 H 7.693018913 0.03 1 356 46 46 C C1' C 94.25898743 0.03 1 357 46 46 C C5 C 97.12625885 0.03 1 358 46 46 C C6 C 141.2564392 0.03 1 359 47 47 U H1' H 5.66217947 0.03 1 360 47 47 U H2' H 4.332599635 0.03 1 361 47 47 U H3 H 14.12032032 0.03 1 362 47 47 U H5 H 5.484568596 0.03 1 363 47 47 U H6 H 7.914719105 0.03 1 364 47 47 U C1' C 93.93900299 0.03 1 365 47 47 U C5 C 103.6947327 0.03 1 366 47 47 U C6 C 142.1564484 0.03 1 367 47 47 U N3 N 162.1499786 0.03 1 368 48 48 U H1' H 5.949059486 0.03 1 369 48 48 U H2' H 4.311179633 0.03 1 370 48 48 U H3' H 4.642179484 0.03 1 371 48 48 U H4' H 4.45725965 0.03 1 372 48 48 U H5 H 5.6722188 0.03 1 373 48 48 U H6 H 7.880959034 0.03 1 374 48 48 U C1' C 91.79277802 0.03 1 375 48 48 U C5 C 104.2601166 0.03 1 376 48 48 U C6 C 143.0826111 0.03 1 377 49 49 U H1' H 5.945699215 0.03 1 378 49 49 U H2' H 4.464539523 0.03 1 379 49 49 U H3' H 4.71218967 0.03 1 380 49 49 U H4' H 4.498329635 0.03 1 381 49 49 U H5 H 5.799278736 0.03 1 382 49 49 U H6 H 7.844599247 0.03 1 383 49 49 U C1' C 90.90184784 0.03 1 384 49 49 U C5 C 105.0855865 0.03 1 385 49 49 U C6 C 143.4463959 0.03 1 386 50 50 G H1 H 10.40550995 0.03 1 387 50 50 G H1' H 5.784989357 0.03 1 388 50 50 G H2' H 4.748879428 0.03 1 389 50 50 G H8 H 7.973238945 0.03 1 390 50 50 G C1' C 93.17481995 0.03 1 391 50 50 G C8 C 138.382431 0.03 1 392 50 50 G N1 N 142.5715942 0.03 1 393 51 51 G H1 H 12.61195946 0.03 1 394 51 51 G H1' H 5.694419384 0.03 1 395 51 51 G H2' H 4.680899615 0.03 1 396 51 51 G H8 H 7.238918781 0.03 1 397 51 51 G C1' C 92.75845337 0.03 1 398 51 51 G C8 C 136.3379211 0.03 1 399 51 51 G N1 N 147.2618408 0.03 1 400 52 52 G H1 H 12.67998981 0.03 1 401 52 52 G H1' H 5.800709248 0.03 1 402 52 52 G H8 H 7.224719048 0.03 1 403 52 52 G C1' C 92.76960754 0.03 1 404 52 52 G C8 C 136.3137207 0.03 1 405 52 52 G N1 N 148.1877594 0.03 1 406 53 53 G H1 H 11.31655979 0.03 1 407 53 53 G H1' H 5.788639545 0.03 1 408 53 53 G H2' H 4.597179408 0.03 1 409 53 53 G H8 H 7.237809181 0.03 1 410 53 53 G C1' C 93.39039612 0.03 1 411 53 53 G C8 C 136.767807 0.03 1 412 53 53 G N1 N 145.2239075 0.03 1 413 54 54 C H1' H 5.492229462 0.03 1 414 54 54 C H2' H 4.478809352 0.03 1 415 54 54 C H5 H 5.358668804 0.03 1 416 54 54 C H6 H 7.668289185 0.03 1 417 54 54 C C1' C 93.72730255 0.03 1 418 54 54 C C5 C 97.64150238 0.03 1 419 54 54 C C6 C 140.2753296 0.03 1 420 55 55 A H1' H 5.945299625 0.03 1 421 55 55 A H2 H 7.282218933 0.03 1 422 55 55 A H2' H 4.459089279 0.03 1 423 55 55 A H8 H 8.05933857 0.03 1 424 55 55 A C1' C 93.12581635 0.03 1 425 55 55 A C2 C 153.1143494 0.03 1 426 55 55 A C8 C 139.6008301 0.03 1 427 56 56 U H1' H 5.444759369 0.03 1 428 56 56 U H2' H 4.488619323 0.03 1 429 56 56 U H3 H 13.3785696 0.03 1 430 56 56 U H5 H 5.039558887 0.03 1 431 56 56 U H6 H 7.652449131 0.03 1 432 56 56 U C1' C 92.91996765 0.03 1 433 56 56 U C5 C 102.9844971 0.03 1 434 56 56 U C6 C 140.8735809 0.03 1 435 56 56 U N3 N 161.7825012 0.03 1 436 57 57 G H1 H 11.88780975 0.03 1 437 57 57 G H1' H 5.842109203 0.03 1 438 57 57 G H2' H 4.522179599 0.03 1 439 57 57 G H8 H 7.657118797 0.03 1 440 57 57 G C1' C 91.77470398 0.03 1 441 57 57 G C8 C 136.291626 0.03 1 442 57 57 G N1 N 146.9968262 0.03 1 443 58 58 G H1 H 10.44798946 0.03 1 444 58 58 G H1' H 5.639559269 0.03 1 445 58 58 G H2' H 4.741929526 0.03 1 446 58 58 G H8 H 7.113069057 0.03 1 447 58 58 G C1' C 93.54866791 0.03 1 448 58 58 G C8 C 136.9862061 0.03 1 449 58 58 G N1 N 142.6818237 0.03 1 450 59 59 A H1' H 5.945299625 0.03 1 451 59 59 A H2 H 7.914608955 0.03 1 452 59 59 A H2' H 4.546609402 0.03 1 453 59 59 A H8 H 7.799589157 0.03 1 454 59 59 A C1' C 93.12581635 0.03 1 455 59 59 A C2 C 154.2076721 0.03 1 456 59 59 A C8 C 139.2006683 0.03 1 457 60 60 C H1' H 5.411659241 0.03 1 458 60 60 C H2' H 4.097239489 0.03 1 459 60 60 C H3' H 4.485629554 0.03 1 460 60 60 C H4' H 4.367629523 0.03 1 461 60 60 C H5 H 5.174499035 0.03 1 462 60 60 C H6 H 7.451068878 0.03 1 463 60 60 C C1' C 94.36143494 0.03 1 464 60 60 C C5 C 96.96022797 0.03 1 465 60 60 C C6 C 140.7996674 0.03 1 466 61 61 C H1' H 6.119409561 0.03 1 467 61 61 C H2' H 4.636249537 0.03 1 468 61 61 C H3' H 4.943299289 0.03 1 469 61 61 C H4' H 4.413739676 0.03 1 470 61 61 C H5 H 5.471358776 0.03 1 471 61 61 C H6 H 7.46586895 0.03 1 472 61 61 C C1' C 91.96460724 0.03 1 473 61 61 C C5 C 99.04429626 0.03 1 474 61 61 C C6 C 141.7926483 0.03 1 stop_ save_