data_30132 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of P2a-J2a/b-P2b of medaka telomerase RNA ; _BMRB_accession_number 30132 _BMRB_flat_file_name bmr30132.str _Entry_type original _Submission_date 2016-07-06 _Accession_date 2016-07-06 _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 Wang Y. . . 2 Feigon J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 272 "13C chemical shifts" 206 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-23 update BMRB 'update entry citation' 2016-08-22 original author 'original release' stop_ _Original_release_date 2016-08-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural conservation in the template/pseudoknot domain of vertebrate telomerase RNA from teleost fish to human ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27531956 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Y. . . 2 Yesselman J. D. . 3 Zhang Q. . . 4 Kang M. . . 5 Feigon J. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 113 _Journal_issue 35 _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD 0040 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E5125 _Page_last E5134 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Telomerase RNA P2ab' _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 11464.795 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GGGUGUACUUAACGUUUGCU UCGGCAAACUACAUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 U 5 G 6 U 7 A 8 C 9 U 10 U 11 A 12 A 13 C 14 G 15 U 16 U 17 U 18 G 19 C 20 U 21 U 22 C 23 G 24 G 25 C 26 A 27 A 28 A 29 C 30 U 31 A 32 C 33 A 34 U 35 C 36 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 'Japanese medaka' 8090 Eukaryota Metazoa Oryzias latipes 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_2 _Saveframe_category sample _Sample_type solution _Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM [U-13C; U-15N] Telomerase RNA P2ab, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM Telomerase RNA P2ab, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM Telomerase RNA P2ab, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '10 mM sodium phosphate, 100 mM potassium chloride, 1.0 mM [U-13C; U-15N] Telomerase RNA P2ab, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.42 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _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_3 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_filtered/edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D filtered/edited NOESY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_3 save_ save_JNN-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name JNN-COSY _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' 100 . mM pH 6.4 . pH pressure 1 . atm temperature 283 . 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' 100 . 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_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D filtered/edited NOESY' stop_ loop_ _Sample_label $sample_4 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _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 12.792 0.01 1 2 1 1 G H1' H 5.823 0.13 1 3 1 1 G H2' H 4.962 0.02 1 4 1 1 G H3' H 4.804 0.01 1 5 1 1 G H4' H 4.583 0.01 1 6 1 1 G H8 H 8.178 0.11 1 7 1 1 G H21 H 6.988 0.01 1 8 1 1 G H22 H 8.619 0.01 1 9 1 1 G C1' C 91.84 0.28 1 10 1 1 G C2' C 75.274 0.13 1 11 1 1 G C3' C 74.677 0.37 1 12 1 1 G C4' C 83.57 0.24 1 13 1 1 G C8 C 139.62 0.03 1 14 1 1 G N1 N 142.995 0.03 1 15 2 2 G H1 H 12.957 0.02 1 16 2 2 G H1' H 5.999 0.02 1 17 2 2 G H2' H 4.668 0.01 1 18 2 2 G H3' H 4.617 0.03 1 19 2 2 G H4' H 4.607 0.02 1 20 2 2 G H5' H 4.313 0.01 1 21 2 2 G H5'' H 4.545 0.01 1 22 2 2 G H8 H 7.696 0.01 1 23 2 2 G C1' C 92.88 0.14 1 24 2 2 G C2' C 76.088 0.11 1 25 2 2 G C3' C 73.418 0.09 1 26 2 2 G C4' C 82.541 0.22 1 27 2 2 G C5' C 66.938 0.02 1 28 2 2 G C8 C 137.596 0.03 1 29 2 2 G N1 N 142.932 0.08 1 30 3 3 G H1 H 11.567 0.02 1 31 3 3 G H1' H 5.856 0.01 1 32 3 3 G H2' H 4.714 0.02 1 33 3 3 G H3' H 4.361 0.01 1 34 3 3 G H4' H 4.551 0.01 1 35 3 3 G H5' H 4.518 0.05 1 36 3 3 G H5'' H 4.127 0.05 1 37 3 3 G H8 H 7.246 0.01 1 38 3 3 G H21 H 6.482 0.04 1 39 3 3 G C1' C 93.774 0.04 1 40 3 3 G C2' C 75.716 0.03 1 41 3 3 G C3' C 73.402 0.03 1 42 3 3 G C4' C 84.057 0.03 1 43 3 3 G C8 C 137.357 0.03 1 44 3 3 G N1 N 139.612 0.04 1 45 4 4 U H1' H 5.561 0.01 1 46 4 4 U H2' H 4.584 0.02 1 47 4 4 U H3 H 13.696 0.02 1 48 4 4 U H3' H 4.613 0.03 1 49 4 4 U H4' H 4.475 0.01 1 50 4 4 U H5 H 5.337 0.01 1 51 4 4 U H5' H 4.429 0.17 1 52 4 4 U H6 H 7.667 0.01 1 53 4 4 U C1' C 94.011 0.03 1 54 4 4 U C2' C 72.53 0.11 1 55 4 4 U C3' C 75.746 0.01 1 56 4 4 U C4' C 82.456 0.01 1 57 4 4 U C5 C 104.095 0.01 1 58 4 4 U C6 C 140.865 0.05 1 59 4 4 U N3 N 157.239 0.1 1 60 5 5 G H1 H 12.568 0.01 1 61 5 5 G H1' H 5.808 0.01 1 62 5 5 G H2' H 4.584 0.02 1 63 5 5 G H3' H 4.529 0.01 1 64 5 5 G H4' H 4.522 0.01 1 65 5 5 G H8 H 7.715 0.01 1 66 5 5 G H21 H 6.136 0.01 1 67 5 5 G H22 H 8.069 0.01 1 68 5 5 G C1' C 93.123 0.24 1 69 5 5 G C2' C 73.044 0.21 1 70 5 5 G C3' C 75.694 0.21 1 71 5 5 G C4' C 82.291 0.18 1 72 5 5 G C8 C 136.783 0.02 1 73 5 5 G N1 N 142.089 0.04 1 74 6 6 U H1' H 5.508 0.01 1 75 6 6 U H2' H 4.504 0.01 1 76 6 6 U H3 H 13.527 0.01 1 77 6 6 U H3' H 4.532 0.01 1 78 6 6 U H4' H 4.459 0.01 1 79 6 6 U H5 H 5.169 0.01 1 80 6 6 U H5' H 4.123 0.05 1 81 6 6 U H6 H 7.64 0.01 1 82 6 6 U C1' C 93.845 0.04 1 83 6 6 U C2' C 72.947 0.02 1 84 6 6 U C3' C 75.85 0.01 1 85 6 6 U C4' C 82.723 0.05 1 86 6 6 U C5 C 103.61 0.03 1 87 6 6 U C6 C 141.508 0.03 1 88 6 6 U N3 N 156.554 0.08 1 89 7 7 A H1' H 5.763 0.31 1 90 7 7 A H2 H 7.065 0.04 1 91 7 7 A H2' H 4.399 0.01 1 92 7 7 A H3' H 4.483 0.01 1 93 7 7 A H4' H 4.528 0.09 1 94 7 7 A H5'' H 4.164 0.07 1 95 7 7 A H8 H 7.98 0.01 1 96 7 7 A C1' C 93.078 0.05 1 97 7 7 A C2 C 154.041 0.08 1 98 7 7 A C2' C 76.218 0.04 1 99 7 7 A C3' C 73.779 0.02 1 100 7 7 A C4' C 83.321 0.08 1 101 7 7 A C8 C 140.035 0.1 1 102 7 7 A N1 N 219.222 0.03 1 103 7 7 A N3 N 209.376 0.08 1 104 8 8 C H1' H 5.311 0.04 1 105 8 8 C H2' H 3.984 0.01 1 106 8 8 C H3' H 4.305 0.03 1 107 8 8 C H4' H 4.154 0.01 1 108 8 8 C H5 H 5.353 0.02 1 109 8 8 C H5' H 3.975 0.01 1 110 8 8 C H5'' H 4.14 0.15 1 111 8 8 C H6 H 7.348 0.02 1 112 8 8 C C1' C 93.134 0.08 1 113 8 8 C C2' C 76.258 0.03 1 114 8 8 C C3' C 74.215 0.03 1 115 8 8 C C4' C 83.39 0.05 1 116 8 8 C C5 C 97.819 0.1 1 117 8 8 C C6 C 141.944 0.1 1 118 9 9 U H1' H 5.719 0.03 1 119 9 9 U H2' H 4.481 0.01 1 120 9 9 U H3' H 4.579 0.01 1 121 9 9 U H4' H 4.545 0.01 1 122 9 9 U H5 H 5.578 0.04 1 123 9 9 U H5'' H 4.074 0.05 1 124 9 9 U H6 H 7.587 0.02 1 125 9 9 U C1' C 94.195 0.02 1 126 9 9 U C2' C 77.015 0.03 1 127 9 9 U C3' C 73.136 0.02 1 128 9 9 U C4' C 82.631 0.01 1 129 9 9 U C5 C 105.431 0.07 1 130 9 9 U C6 C 143.442 0.08 1 131 10 10 U H1' H 5.699 0.01 1 132 10 10 U H2' H 4.179 0.01 1 133 10 10 U H3' H 4.469 0.01 1 134 10 10 U H4' H 4.213 0.01 1 135 10 10 U H5 H 5.734 0.02 1 136 10 10 U H5' H 3.974 0.05 1 137 10 10 U H5'' H 3.954 0.01 1 138 10 10 U H6 H 7.588 0.01 1 139 10 10 U C1' C 91.215 0.07 1 140 10 10 U C2' C 75.675 0.03 1 141 10 10 U C3' C 77.112 0.03 1 142 10 10 U C4' C 84.962 0.03 1 143 10 10 U C5 C 105.721 0.03 1 144 10 10 U C5' C 68.061 0.02 1 145 10 10 U C6 C 144.071 0.03 1 146 11 11 A H1' H 5.636 0.42 1 147 11 11 A H2 H 7.891 0.02 1 148 11 11 A H2' H 4.768 0.31 1 149 11 11 A H3' H 5.039 0.43 1 150 11 11 A H4' H 4.588 0.4 1 151 11 11 A H5'' H 4.225 0.44 1 152 11 11 A H8 H 8.181 0.01 1 153 11 11 A C1' C 90.77 0.08 1 154 11 11 A C2 C 154.99 0.03 1 155 11 11 A C2' C 76.6 0.07 1 156 11 11 A C3' C 76.544 0.06 1 157 11 11 A C4' C 85.078 0.06 1 158 11 11 A C5' C 67.683 0.37 1 159 11 11 A C8 C 142.382 0.06 1 160 11 11 A N1 N 211.578 0.03 1 161 12 12 A H1' H 5.687 0.34 1 162 12 12 A H2 H 7.921 0.01 1 163 12 12 A H2' H 4.71 0.28 1 164 12 12 A H3' H 4.637 0.26 1 165 12 12 A H4' H 4.379 0.08 1 166 12 12 A H8 H 8.119 0.02 1 167 12 12 A C1' C 90.893 0.08 1 168 12 12 A C2 C 155.158 0.03 1 169 12 12 A C2' C 76.38 0.43 1 170 12 12 A C3' C 76.207 0.24 1 171 12 12 A C8 C 141.418 0.13 1 172 12 12 A N1 N 219.293 0.03 1 173 12 12 A N3 N 210.194 0.08 1 174 13 13 C H1' H 5.824 0.03 1 175 13 13 C H2' H 4.48 0.01 1 176 13 13 C H3' H 4.543 0.03 1 177 13 13 C H5 H 5.663 0.03 1 178 13 13 C H5' H 4.414 0.05 1 179 13 13 C H5'' H 4.232 0.05 1 180 13 13 C H6 H 7.686 0.03 1 181 13 13 C C1' C 92.625 0.1 1 182 13 13 C C5 C 98.933 0.09 1 183 13 13 C C6 C 142.923 0.2 1 184 14 14 G H1 H 13.152 0.02 1 185 14 14 G H1' H 5.657 0.33 1 186 14 14 G H2' H 4.667 0.01 1 187 14 14 G H3' H 4.538 0.01 1 188 14 14 G H4' H 4.541 0.01 1 189 14 14 G H5' H 4.412 0.05 1 190 14 14 G H5'' H 4.219 0.01 1 191 14 14 G H8 H 7.777 0.02 1 192 14 14 G C1' C 93.102 0.18 1 193 14 14 G C2' C 75.101 0.14 1 194 14 14 G C3' C 74.166 0.19 1 195 14 14 G C4' C 83.309 0.14 1 196 14 14 G C8 C 138.236 0.04 1 197 14 14 G N1 N 142.829 0.1 1 198 15 15 U H1' H 5.669 0.01 1 199 15 15 U H2' H 4.579 0.01 1 200 15 15 U H3 H 14.465 0.01 1 201 15 15 U H4' H 4.196 0.05 1 202 15 15 U H5 H 5.193 0.01 1 203 15 15 U H6 H 7.933 0.01 1 204 15 15 U C1' C 94.396 0.04 1 205 15 15 U C2' C 75.648 0.01 1 206 15 15 U C5 C 103.017 0.05 1 207 15 15 U C6 C 142.772 0.04 1 208 15 15 U N3 N 157.51 0.09 1 209 16 16 U H1' H 5.729 0.01 1 210 16 16 U H2' H 4.182 0.01 1 211 16 16 U H3' H 4.475 0.01 1 212 16 16 U H4' H 4.221 0.01 1 213 16 16 U H5 H 5.674 0.01 1 214 16 16 U H5' H 3.979 0.08 1 215 16 16 U H6 H 8.029 0.1 1 216 16 16 U C1' C 90.986 0.13 1 217 16 16 U C2' C 76.045 0.02 1 218 16 16 U C3' C 76.987 0.02 1 219 16 16 U C4' C 85.038 0.02 1 220 16 16 U C5 C 103.921 0.06 1 221 16 16 U C5' C 67.523 0.02 1 222 16 16 U C6 C 142.885 0.05 1 223 16 16 U N3 N 157.534 0.11 1 224 17 17 U H1' H 5.64 0.01 1 225 17 17 U H2' H 4.542 0.01 1 226 17 17 U H3 H 13.142 0.02 1 227 17 17 U H3' H 4.639 0.03 1 228 17 17 U H4' H 4.452 0.06 1 229 17 17 U H5 H 5.642 0.01 1 230 17 17 U H6 H 8.01 0.01 1 231 17 17 U C1' C 93.656 0.06 1 232 17 17 U C2' C 73.423 0.04 1 233 17 17 U C3' C 73.047 0.03 1 234 17 17 U C4' C 82.713 0.14 1 235 17 17 U C5 C 104.302 0.03 1 236 17 17 U C6 C 142.453 0.06 1 237 17 17 U N3 N 157.101 0.08 1 238 18 18 G H1 H 12.529 0.01 1 239 18 18 G H1' H 5.803 0.01 1 240 18 18 G H2' H 4.523 0.02 1 241 18 18 G H3' H 4.597 0.01 1 242 18 18 G H4' H 4.52 0.01 1 243 18 18 G H5' H 4.166 0.01 1 244 18 18 G H8 H 7.804 0.02 1 245 18 18 G H21 H 6.454 0.02 1 246 18 18 G H22 H 5.93 0.02 1 247 18 18 G C1' C 92.726 0.18 1 248 18 18 G C2' C 75.704 0.2 1 249 18 18 G C3' C 72.982 0.21 1 250 18 18 G C4' C 82.291 0.16 1 251 18 18 G C8 C 136.804 0.04 1 252 18 18 G N1 N 142.178 0.04 1 253 19 19 C H1' H 5.444 0.01 1 254 19 19 C H2' H 4.452 0.01 1 255 19 19 C H3' H 4.252 0.03 1 256 19 19 C H4' H 4.444 0.01 1 257 19 19 C H5 H 5.218 0.04 1 258 19 19 C H5' H 4.084 0.05 1 259 19 19 C H6 H 7.459 0.01 1 260 19 19 C H41 H 7.249 0.55 1 261 19 19 C H42 H 8.422 0.4 1 262 19 19 C C1' C 94.166 0.03 1 263 19 19 C C2' C 75.758 0.03 1 264 19 19 C C3' C 72.171 0.03 1 265 19 19 C C4' C 82.285 0.03 1 266 19 19 C C5 C 97.727 0.03 1 267 19 19 C C6 C 140.782 0.05 1 268 20 20 U H1' H 5.663 0.01 1 269 20 20 U H2' H 3.798 0.02 1 270 20 20 U H3 H 11.753 0.01 1 271 20 20 U H3' H 4.501 0.18 1 272 20 20 U H4' H 4.381 0.05 1 273 20 20 U H5 H 5.743 0.01 1 274 20 20 U H5' H 4.26 0.05 1 275 20 20 U H6 H 7.768 0.01 1 276 20 20 U C1' C 94.875 0.05 1 277 20 20 U C2' C 76.388 0.02 1 278 20 20 U C3' C 73.495 0.01 1 279 20 20 U C4' C 82.858 0.03 1 280 20 20 U C5 C 105.534 0.01 1 281 20 20 U C6 C 141.023 0.03 1 282 20 20 U HO2' H 6.686 0.01 1 283 21 21 U H1' H 6.034 0.42 1 284 21 21 U H2' H 4.686 0.01 1 285 21 21 U H3' H 4.158 0.46 1 286 21 21 U H4' H 4.507 0.05 1 287 21 21 U H5 H 5.877 0.01 1 288 21 21 U H5' H 4.34 0.52 1 289 21 21 U H5'' H 4.182 0.1 1 290 21 21 U H6 H 8.035 0.01 1 291 21 21 U C1' C 89.619 0.06 1 292 21 21 U C2' C 74.909 0.03 1 293 21 21 U C4' C 87.216 0.01 1 294 21 21 U C5 C 105.925 0.02 1 295 21 21 U C5' C 68.1 0.02 1 296 21 21 U C6 C 145.097 0.01 1 297 22 22 C H1' H 5.93 0.33 1 298 22 22 C H2' H 4.124 0.01 1 299 22 22 C H3' H 4.512 0.03 1 300 22 22 C H4' H 3.827 0.05 1 301 22 22 C H5 H 6.147 0.01 1 302 22 22 C H5' H 3.438 0.37 1 303 22 22 C H6 H 7.715 0.01 1 304 22 22 C H41 H 6.39 0.03 1 305 22 22 C H42 H 7.163 0.01 1 306 22 22 C C1' C 89.497 0.04 1 307 22 22 C C2' C 77.927 0.03 1 308 22 22 C C3' C 80.679 0.03 1 309 22 22 C C4' C 84.808 0.03 1 310 22 22 C C5 C 99.043 0.01 1 311 22 22 C C6 C 143.25 0.02 1 312 23 23 G H1 H 9.912 0.01 1 313 23 23 G H1' H 5.988 0.01 1 314 23 23 G H2' H 4.857 0.01 1 315 23 23 G H3' H 5.655 0.01 1 316 23 23 G H4' H 4.438 0.05 1 317 23 23 G H5' H 4.223 0.01 1 318 23 23 G H8 H 7.905 0.08 1 319 23 23 G C1' C 94.809 0.18 1 320 23 23 G C2' C 77.492 0.21 1 321 23 23 G C3' C 76.017 0.22 1 322 23 23 G C4' C 83.434 0.18 1 323 23 23 G C5' C 69.106 0.02 1 324 23 23 G C8 C 143.477 0.03 1 325 23 23 G N1 N 138.099 0.02 1 326 24 24 G H1 H 13.389 0.01 1 327 24 24 G H1' H 4.616 0.37 1 328 24 24 G H2' H 4.445 0.02 1 329 24 24 G H3' H 4.3 0.01 1 330 24 24 G H4' H 4.438 0.05 1 331 24 24 G H8 H 8.333 0.01 1 332 24 24 G H21 H 6.459 0.01 1 333 24 24 G H22 H 8.777 0.01 1 334 24 24 G C1' C 93.561 0.17 1 335 24 24 G C8 C 139.381 0.03 1 336 24 24 G N1 N 143.046 0.05 1 337 25 25 C H1' H 5.511 0.01 1 338 25 25 C H2' H 4.607 0.02 1 339 25 25 C H3' H 4.562 0.01 1 340 25 25 C H4' H 4.413 0.01 1 341 25 25 C H5 H 5.306 0.01 1 342 25 25 C H6 H 7.614 0.47 1 343 25 25 C H41 H 6.901 0.03 1 344 25 25 C H42 H 8.626 0.01 1 345 25 25 C C1' C 94.302 0.01 1 346 25 25 C C2' C 75.675 0.03 1 347 25 25 C C3' C 72.338 0.03 1 348 25 25 C C4' C 82.16 0.05 1 349 25 25 C C5 C 97.716 0.05 1 350 25 25 C C6 C 141.449 0.01 1 351 25 25 C N4 N 92.203 0.05 1 352 26 26 A H1' H 5.845 0.31 1 353 26 26 A H2 H 6.682 0.02 1 354 26 26 A H2' H 4.739 0.36 1 355 26 26 A H3' H 4.856 0.32 1 356 26 26 A H4' H 4.768 0.52 1 357 26 26 A H8 H 7.992 0.07 1 358 26 26 A C1' C 93.519 0.03 1 359 26 26 A C2 C 152.475 0.03 1 360 26 26 A C2' C 76.123 0.01 1 361 26 26 A C3' C 73.294 0.04 1 362 26 26 A C4' C 82.502 0.05 1 363 26 26 A C8 C 139.99 0.01 1 364 26 26 A N1 N 215.21 0.02 1 365 26 26 A N3 N 207.977 0.08 1 366 26 26 A N6 N 78.137 0.01 1 367 27 27 A H1' H 5.817 0.01 1 368 27 27 A H2 H 7.168 0.02 1 369 27 27 A H2' H 4.522 0.01 1 370 27 27 A H3' H 4.683 0.01 1 371 27 27 A H4' H 4.533 0.01 1 372 27 27 A H8 H 7.755 0.01 1 373 27 27 A C1' C 93.184 0.02 1 374 27 27 A C2 C 153.252 0.02 1 375 27 27 A C2' C 76.003 0.12 1 376 27 27 A C3' C 73.2 0.01 1 377 27 27 A C4' C 82.498 0.05 1 378 27 27 A C8 C 139.661 0.02 1 379 27 27 A N1 N 215.207 0.03 1 380 27 27 A N3 N 206.244 0.08 1 381 27 27 A N6 N 79.26 0.08 1 382 28 28 A H1' H 5.841 0.3 1 383 28 28 A H2 H 7.815 0.01 1 384 28 28 A H2' H 4.552 0.34 1 385 28 28 A H3' H 4.671 0.31 1 386 28 28 A H8 H 7.783 0.03 1 387 28 28 A H61 H 6.813 0.01 1 388 28 28 A H62 H 8.209 0.01 1 389 28 28 A C1' C 93.263 0.07 1 390 28 28 A C2 C 154.349 0.01 1 391 28 28 A C2' C 76.023 0.08 1 392 28 28 A C3' C 72.837 0.02 1 393 28 28 A C4' C 82.485 0.03 1 394 28 28 A C8 C 139.466 0.03 1 395 28 28 A N1 N 216.552 0.03 1 396 28 28 A N3 N 206.5 0.08 1 397 29 29 C H1' H 5.521 0.01 1 398 29 29 C H2' H 4.231 0.01 1 399 29 29 C H3' H 4.424 0.01 1 400 29 29 C H4' H 4.421 0.01 1 401 29 29 C H5 H 5.19 0.01 1 402 29 29 C H6 H 7.325 0.01 1 403 29 29 C H41 H 7.049 0.04 1 404 29 29 C H42 H 8.262 0.01 1 405 29 29 C C1' C 93.671 0.08 1 406 29 29 C C2' C 76.279 0.03 1 407 29 29 C C3' C 73.735 0.03 1 408 29 29 C C4' C 83.014 0.03 1 409 29 29 C C5 C 98.194 0.03 1 410 29 29 C C6 C 141.037 0.06 1 411 29 29 C N4 N 93.049 0.03 1 412 30 30 U H1' H 5.833 0.16 1 413 30 30 U H2' H 4.51 0.05 1 414 30 30 U H3 H 14.358 0.01 1 415 30 30 U H3' H 4.926 0.47 1 416 30 30 U H4' H 4.508 0.02 1 417 30 30 U H5 H 5.603 0.01 1 418 30 30 U H5' H 4.257 0.11 1 419 30 30 U H6 H 7.818 0.02 1 420 30 30 U C1' C 91.131 0.1 1 421 30 30 U C2' C 75.962 0.11 1 422 30 30 U C3' C 75.484 0.03 1 423 30 30 U C4' C 84.353 0.02 1 424 30 30 U C5 C 105.04 0.06 1 425 30 30 U C5' C 66.853 0.05 1 426 30 30 U C6 C 143.063 0.04 1 427 31 31 A H1' H 6.004 0.29 1 428 31 31 A H2 H 7.346 0.02 1 429 31 31 A H2' H 4.793 0.33 1 430 31 31 A H3' H 4.855 0.43 1 431 31 31 A H4' H 4.771 0.43 1 432 31 31 A H8 H 8.413 0.01 1 433 31 31 A C1' C 93.133 0.04 1 434 31 31 A C2 C 153.549 0.05 1 435 31 31 A C2' C 75.038 0.78 1 436 31 31 A C3' C 75.044 0.85 1 437 31 31 A C4' C 83.326 0.08 1 438 31 31 A C5' C 67.125 0.02 1 439 31 31 A C8 C 141.603 0.02 1 440 31 31 A N1 N 217.297 0.01 1 441 31 31 A N3 N 208.244 0.08 1 442 32 32 C H1' H 5.433 0.15 1 443 32 32 C H2' H 4.496 0.01 1 444 32 32 C H3' H 4.409 0.16 1 445 32 32 C H4' H 4.942 0.51 1 446 32 32 C H5 H 5.252 0.01 1 447 32 32 C H6 H 7.575 0.01 1 448 32 32 C H41 H 6.944 0.03 1 449 32 32 C H42 H 8.337 0.01 1 450 32 32 C C1' C 94.077 0.04 1 451 32 32 C C2' C 72.922 0.03 1 452 32 32 C C3' C 72.338 0.03 1 453 32 32 C C4' C 88.136 0.05 1 454 32 32 C C5 C 97.99 0.04 1 455 32 32 C C6 C 141.315 0.04 1 456 32 32 C N4 N 91.882 0.04 1 457 33 33 A H1' H 5.88 0.33 1 458 33 33 A H2 H 7.467 0.02 1 459 33 33 A H2' H 4.81 0.37 1 460 33 33 A H8 H 7.994 0.01 1 461 33 33 A H61 H 6.551 0.01 1 462 33 33 A H62 H 8.344 0.01 1 463 33 33 A C1' C 93.653 0.03 1 464 33 33 A C2 C 153.791 0.03 1 465 33 33 A C2' C 75.938 0.02 1 466 33 33 A C3' C 73.018 0.06 1 467 33 33 A C4' C 82.504 0.05 1 468 33 33 A C8 C 140.027 0.06 1 469 33 33 A N1 N 216.44 0.02 1 470 33 33 A N3 N 209.686 0.08 1 471 33 33 A N6 N 77.862 0.01 1 472 34 34 U H1' H 5.38 0.01 1 473 34 34 U H2' H 4.073 0.01 1 474 34 34 U H3 H 12.112 0.02 1 475 34 34 U H3' H 4.534 0.02 1 476 34 34 U H4' H 4.443 0.04 1 477 34 34 U H5 H 5.394 0.01 1 478 34 34 U H6 H 7.728 0.01 1 479 34 34 U C1' C 93.781 0.04 1 480 34 34 U C2' C 76.077 0.02 1 481 34 34 U C3' C 72.551 0.21 1 482 34 34 U C4' C 82.639 0.05 1 483 34 34 U C5 C 104.242 0.04 1 484 34 34 U C6 C 140.988 0.02 1 485 34 34 U N3 N 153.254 0.07 1 486 35 35 C H1' H 5.594 0.22 1 487 35 35 C H2' H 4.225 0.01 1 488 35 35 C H3' H 4.692 0.39 1 489 35 35 C H5 H 5.661 0.01 1 490 35 35 C H5' H 4.527 0.05 1 491 35 35 C H6 H 8.021 0.01 1 492 35 35 C H41 H 7.002 0.03 1 493 35 35 C H42 H 8.592 0.01 1 494 35 35 C C1' C 94.317 0.03 1 495 35 35 C C2' C 76.029 0.03 1 496 35 35 C C3' C 83.365 0.03 1 497 35 35 C C4' C 82.16 0.05 1 498 35 35 C C5 C 97.759 0.04 1 499 35 35 C C6 C 143.289 0.01 1 500 35 35 C N4 N 92.936 0.03 1 501 36 36 C H1' H 5.776 0.01 1 502 36 36 C H2' H 4.041 0.06 1 503 36 36 C H3' H 4.211 0.01 1 504 36 36 C H4' H 4.193 0.01 1 505 36 36 C H5 H 5.575 0.01 1 506 36 36 C H6 H 7.707 0.06 1 507 36 36 C H41 H 7.088 0.03 1 508 36 36 C H42 H 8.441 0.01 1 509 36 36 C C1' C 93.32 0.02 1 510 36 36 C C2' C 77.947 0.03 1 511 36 36 C C3' C 70.003 0.03 1 512 36 36 C C4' C 83.828 0.05 1 513 36 36 C C5 C 98.613 0.01 1 514 36 36 C C6 C 142.323 0.07 1 515 36 36 C N4 N 92.241 0.43 1 stop_ save_