data_17088 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the pseudouridine modified P6.1 hairpin of human telomerase RNA ; _BMRB_accession_number 17088 _BMRB_flat_file_name bmr17088.str _Entry_type new _Submission_date 2010-07-29 _Accession_date 2010-07-29 _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 Kim Nak-Kyoon . . 2 Theimer Carla A. . 3 Mitchell James R. . 4 Collins Kathleen . . 5 Feigon Juli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 138 "13C chemical shifts" 91 "15N chemical shifts" 16 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-09 update BMRB 'Update entry citation' 2010-08-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Effect of pseudouridylation on the structure and activity of the catalytically essential P6.1 hairpin in human telomerase RNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20554853 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Nak-Kyoon . . 2 Theimer Carla A. . 3 Mitchell James R. . 4 Collins Kathleen . . 5 Feigon Juli . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 38 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6746 _Page_last 6756 _Year 2010 _Details . loop_ _Keyword Telomerase RNA Hairpin NMR Structure Pseudouridine stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'P6.1 hairpin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'P6.1 hairpin' $RNA 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass 4824.931 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence GAGAGXXGGGCXCXC loop_ _Residue_seq_code _Residue_label 1 G 2 A 3 G 4 A 5 G 6 PSU 7 PSU 8 G 9 G 10 G 11 C 12 PSU 13 C 14 PSU 15 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_PSU _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common PSEUDOURIDINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code PSU _Standard_residue_derivative . _Molecular_mass 324.181 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:52:52 2009 ; 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 . ? O2 O2 O . 0 . ? O4 O4 O . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? C4' C4' C . 0 . ? O3' O3' O . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? HN1 HN1 H . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? HO3' HO3' H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 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 HN1 ? ? SING C2 N3 ? ? DOUB C2 O2 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? SING C4 C5 ? ? DOUB C4 O4 ? ? DOUB C5 C6 ? ? SING C5 C1' ? ? SING C6 H6 ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O3' HO3' ? ? SING C5' O5' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING O5' P ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P OP3 ? ? SING OP2 HOP2 ? ? SING OP3 HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA Human 9606 Eukaryota Metazoa Homo sapiens 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 'enzymatic semisynthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Unlabeled_HDO _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 0.6 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_Unlabeled_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 0.6 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_ACG_labeled_HDO _Saveframe_category sample _Sample_type solution _Details 'A,C,G 13C,15N labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 0.8 mM '[U-98% 13C; U-98% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_ACG_labeled_D2O _Saveframe_category sample _Sample_type solution _Details 'A,C,G 13C,15N labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA 0.8 mM '[U-98% 13C; U-98% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.9.8 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'No cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details cryoprobe save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $ACG_labeled_HDO save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Unlabeled_D2O save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $ACG_labeled_D2O save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $ACG_labeled_D2O save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Unlabeled_HDO save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Unlabeled_D2O save_ save_2D_1H-1H_Filter/Edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H Filter/Edited NOESY' _Sample_label $ACG_labeled_D2O save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $ACG_labeled_D2O save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Unlabeled_HDO save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Unlabeled_D2O save_ ####################### # Sample conditions # ####################### save_HDO _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 283 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 5 . mM stop_ save_ save_D2O _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 5 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H COSY' '2D 1H-1H NOESY' '2D 1H-1H Filter/Edited NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $ACG_labeled_HDO $ACG_labeled_D2O $Unlabeled_D2O $Unlabeled_HDO stop_ _Sample_conditions_label $D2O _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'P6.1 hairpin' _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 12.64 0.0160 1 2 1 1 G H1' H 5.821 0.0042 1 3 1 1 G H2' H 4.985 0.0035 1 4 1 1 G H3' H 4.82 0.0048 1 5 1 1 G H4' H 4.592 0.0055 1 6 1 1 G H5' H 4.317 0.0205 1 7 1 1 G H5'' H 4.391 0.0037 1 8 1 1 G H8 H 8.171 0.0041 1 9 1 1 G C1' C 89.88 0.0349 1 10 1 1 G C2' C 74.77 0.0012 1 11 1 1 G C3' C 75.61 0.0010 1 12 1 1 G C4' C 84.04 0.0100 1 13 1 1 G C5' C 67.39 0.0010 1 14 1 1 G C8 C 139.1 0.0010 1 15 1 1 G N1 N 146.6 0.0000 1 16 2 2 A H1' H 6.167 0.0052 1 17 2 2 A H2 H 7.633 0.0043 1 18 2 2 A H2' H 4.842 0.0072 1 19 2 2 A H3' H 4.721 0.0045 1 20 2 2 A H4' H 4.652 0.0050 1 21 2 2 A H5' H 4.54 0.0258 1 22 2 2 A H5'' H 4.482 0.0240 1 23 2 2 A H8 H 8.163 0.0041 1 24 2 2 A H61 H 7.317 0.0000 1 25 2 2 A H62 H 6.815 0.0000 1 26 2 2 A C1' C 92.78 0.0013 1 27 2 2 A C2 C 153.1 0.0000 1 28 2 2 A C2' C 75.77 0.0510 1 29 2 2 A C3' C 73.54 0.0232 1 30 2 2 A C4' C 82.94 0.0201 1 31 2 2 A C5' C 67.59 0.0010 1 32 2 2 A C8 C 140.5 0.0010 1 33 2 2 A N6 N 81.39 0.0074 1 34 3 3 G H1 H 12.54 0.0048 1 35 3 3 G H1' H 5.666 0.0046 1 36 3 3 G H2' H 4.62 0.0050 1 37 3 3 G H3' H 4.535 0.0042 1 38 3 3 G H4' H 4.541 0.0025 1 39 3 3 G H5' H 4.508 0.0021 1 40 3 3 G H5'' H 4.156 0.0065 1 41 3 3 G H8 H 7.178 0.0050 1 42 3 3 G H21 H 7.996 0.0108 1 43 3 3 G H22 H 6.035 0.0154 1 44 3 3 G C1' C 92.82 0.0350 1 45 3 3 G C2' C 75.51 0.0010 1 46 3 3 G C3' C 74.33 0.0146 1 47 3 3 G C4' C 82.24 0.0533 1 48 3 3 G C5' C 66.82 0.0075 1 49 3 3 G C8 C 136 0.0010 1 50 3 3 G N1 N 146.3 0.0000 1 51 3 3 G N2 N 74.61 0.0080 1 52 4 4 A H1' H 5.999 0.0047 1 53 4 4 A H2 H 7.517 0.0197 1 54 4 4 A H2' H 4.662 0.0051 1 55 4 4 A H3' H 4.679 0.0033 1 56 4 4 A H4' H 4.551 0.0036 1 57 4 4 A H5' H 4.162 0.0034 1 58 4 4 A H5'' H 4.601 0.0010 1 59 4 4 A H8 H 7.779 0.0071 1 60 4 4 A H61 H 7.314 0.0000 1 61 4 4 A H62 H 6.86 0.0000 1 62 4 4 A C1' C 92.93 0.0091 1 63 4 4 A C2 C 153.3 0.0010 1 64 4 4 A C2' C 75.7 0.0010 1 65 4 4 A C3' C 72.69 0.0420 1 66 4 4 A C4' C 82.07 0.0012 1 67 4 4 A C5' C 65.75 0.0020 1 68 4 4 A C8 C 139.4 0.0010 1 69 4 4 A N6 N 82.35 0.0065 1 70 5 5 G H1 H 13.38 0.0087 1 71 5 5 G H1' H 5.737 0.0095 1 72 5 5 G H2' H 4.701 0.0111 1 73 5 5 G H3' H 4.469 0.0067 1 74 5 5 G H4' H 4.457 0.0030 1 75 5 5 G H5' H 4.104 0.0050 1 76 5 5 G H5'' H 4.565 0.0025 1 77 5 5 G H8 H 7.276 0.0086 1 78 5 5 G H21 H 8.511 0.0082 1 79 5 5 G H22 H 6.461 0.0124 1 80 5 5 G C1' C 92.69 0.0457 1 81 5 5 G C2' C 75.51 0.0383 1 82 5 5 G C3' C 72.4 0.0404 1 83 5 5 G C4' C 81.91 0.0148 1 84 5 5 G C5' C 64.97 0.0400 1 85 5 5 G C8 C 135.9 0.0010 1 86 5 5 G N1 N 147.5 0.0000 1 87 5 5 G N2 N 75.12 0.0000 1 88 6 6 PSU H1' H 4.653 0.0097 1 89 6 6 PSU H2' H 4.38 0.0115 1 90 6 6 PSU H3' H 4.405 0.0080 1 91 6 6 PSU H4' H 4.162 0.0049 1 92 6 6 PSU H5' H 4.344 0.0051 1 93 6 6 PSU H5'' H 4.019 0.0061 1 94 6 6 PSU C1' C 81.8 0.0005 1 95 6 6 PSU C2' C 75.76 0.0010 1 96 6 6 PSU C3' C 74 0.0010 1 97 6 6 PSU C4' C 80.07 0.0009 1 98 6 6 PSU C6 C 140.8 0.0010 1 99 6 6 PSU H6 H 7.161 0.0052 1 100 6 6 PSU H1 H 10.65 0.0473 1 101 7 7 PSU H1' H 4.472 0.0094 1 102 7 7 PSU H2' H 4.126 0.0050 1 103 7 7 PSU H3' H 4.257 0.0035 1 104 7 7 PSU H4' H 4.073 0.0035 1 105 7 7 PSU H5' H 4.154 0.0045 1 106 7 7 PSU H5'' H 3.91 0.0030 1 107 7 7 PSU C1' C 82.02 0.0025 1 108 7 7 PSU C2' C 75.53 0.0010 1 109 7 7 PSU C3' C 75.99 0.0010 1 110 7 7 PSU C4' C 81.67 0.0005 1 111 7 7 PSU C6 C 141.6 0.0010 1 112 7 7 PSU H6 H 7.393 0.0054 1 113 7 7 PSU H1 H 10.81 0.0005 1 114 8 8 G H1 H 10.52 0.0035 1 115 8 8 G H1' H 5.584 0.0041 1 116 8 8 G H2' H 4.519 0.0050 1 117 8 8 G H3' H 4.597 0.0033 1 118 8 8 G H4' H 4.021 0.0005 1 119 8 8 G H5' H 3.928 0.0040 1 120 8 8 G H5'' H 3.969 0.0045 1 121 8 8 G H8 H 7.82 0.0047 1 122 8 8 G C1' C 89.7 0.0760 1 123 8 8 G C2' C 76.01 0.0119 1 124 8 8 G C3' C 78.08 0.0319 1 125 8 8 G C4' C 85.29 0.0075 1 126 8 8 G C5' C 68.17 0.0010 1 127 8 8 G C8 C 140.2 0.0010 1 128 8 8 G N1 N 145.3 0.0000 1 129 8 8 G N2 N 73.88 0.0000 1 130 9 9 G H1 H 10.92 0.0010 1 131 9 9 G H1' H 5.91 0.0076 1 132 9 9 G H2' H 4.908 0.0043 1 133 9 9 G H3' H 5.155 0.0212 1 134 9 9 G H4' H 4.501 0.0037 1 135 9 9 G H5' H 4.25 0.0059 1 136 9 9 G H5'' H 4.19 0.0052 1 137 9 9 G H8 H 7.935 0.0041 1 138 9 9 G H22 H 6.397 0.0037 2 139 9 9 G C1' C 91.01 0.0218 1 140 9 9 G C2' C 75.67 0.0010 1 141 9 9 G C3' C 77.1 0.0255 1 142 9 9 G C4' C 85.02 0.0064 1 143 9 9 G C5' C 68.51 0.0010 1 144 9 9 G C8 C 141.2 0.0010 1 145 9 9 G N1 N 146.7 0.0000 1 146 9 9 G N2 N 72.7 0.0590 1 147 10 10 G H1 H 11.74 0.0110 1 148 10 10 G H1' H 5.638 0.0093 1 149 10 10 G H2' H 4.663 0.0158 1 150 10 10 G H3' H 4.815 0.0081 1 151 10 10 G H4' H 4.601 0.0004 1 152 10 10 G H5' H 4.391 0.0040 1 153 10 10 G H5'' H 4.315 0.0010 1 154 10 10 G H8 H 8.109 0.0038 1 155 10 10 G H22 H 6.46 0.0070 2 156 10 10 G C1' C 90.78 0.0400 1 157 10 10 G C2' C 75.66 0.0245 1 158 10 10 G C3' C 75.39 0.0125 1 159 10 10 G C4' C 84.05 0.0304 1 160 10 10 G C5' C 68.88 0.0133 1 161 10 10 G C8 C 139.1 0.0010 1 162 10 10 G N1 N 145.6 0.0000 1 163 10 10 G N2 N 73.72 0.0637 1 164 11 11 C H1' H 5.434 0.0007 1 165 11 11 C H2' H 4.609 0.0055 1 166 11 11 C H3' H 4.479 0.0065 1 167 11 11 C H4' H 4.506 0.0047 1 168 11 11 C H5 H 5.627 0.0121 1 169 11 11 C H5' H 4.241 0.0036 1 170 11 11 C H5'' H 4.473 0.0010 1 171 11 11 C H6 H 7.709 0.0142 1 172 11 11 C H41 H 8.801 0.0066 1 173 11 11 C H42 H 7.054 0.0008 1 174 11 11 C C1' C 94.38 0.0206 1 175 11 11 C C2' C 75.36 0.0049 1 176 11 11 C C3' C 73.05 0.0010 1 177 11 11 C C4' C 82.45 0.0459 1 178 11 11 C C5 C 97.89 0.0009 1 179 11 11 C C5' C 66.16 0.0015 1 180 11 11 C C6 C 141.8 0.0010 1 181 11 11 C N4 N 97.81 0.0579 1 182 12 12 PSU H1' H 4.885 0.0034 1 183 12 12 PSU H2' H 4.566 0.0048 1 184 12 12 PSU H3' H 4.611 0.0046 1 185 12 12 PSU H4' H 4.307 0.0067 1 186 12 12 PSU H5' H 4.513 0.0043 1 187 12 12 PSU H5'' H 4.095 0.0084 1 188 12 12 PSU C1' C 83.08 0.0010 1 189 12 12 PSU C2' C 74.85 0.0010 1 190 12 12 PSU C3' C 73.5 0.0010 1 191 12 12 PSU C4' C 79.69 0.0005 1 192 12 12 PSU C6 C 140.8 0.0010 1 193 12 12 PSU H6 H 7.554 0.0010 1 194 12 12 PSU H1 H 10.92 0.0111 1 195 12 12 PSU H3 H 14.26 0.0048 1 196 13 13 C H1' H 5.578 0.0057 1 197 13 13 C H2' H 4.462 0.0054 1 198 13 13 C H3' H 4.61 0.0074 1 199 13 13 C H4' H 4.488 0.0063 1 200 13 13 C H5 H 5.733 0.0065 1 201 13 13 C H5' H 4.111 0.0068 1 202 13 13 C H5'' H 4.614 0.0015 1 203 13 13 C H6 H 7.956 0.0060 1 204 13 13 C H41 H 8.532 0.0051 1 205 13 13 C H42 H 7.052 0.0066 1 206 13 13 C C1' C 94.09 0.0094 1 207 13 13 C C2' C 75.44 0.0075 1 208 13 13 C C3' C 72.13 0.0035 1 209 13 13 C C4' C 81.86 0.0035 1 210 13 13 C C5 C 97.51 0.0160 1 211 13 13 C C5' C 64.89 0.0125 1 212 13 13 C C6 C 142.2 0.0010 1 213 13 13 C N4 N 96.89 0.0595 1 214 14 14 PSU H1' H 4.819 0.0047 1 215 14 14 PSU H2' H 4.264 0.0102 1 216 14 14 PSU H3' H 4.593 0.0060 1 217 14 14 PSU H4' H 4.46 0.0068 1 218 14 14 PSU H5' H 4.564 0.0092 1 219 14 14 PSU H5'' H 4.061 0.0053 1 220 14 14 PSU C1' C 83.22 0.0080 1 221 14 14 PSU C2' C 74.93 0.0010 1 222 14 14 PSU C3' C 73.2 0.0775 1 223 14 14 PSU C4' C 82 0.0000 1 224 14 14 PSU C6 C 140.7 0.0000 1 225 14 14 PSU H6 H 7.518 0.0049 1 226 14 14 PSU H1 H 10.78 0.0108 1 227 14 14 PSU H3 H 13.98 0.0504 1 228 15 15 C H1' H 5.832 0.0052 1 229 15 15 C H2' H 4.014 0.0054 1 230 15 15 C H3' H 4.221 0.0048 1 231 15 15 C H4' H 4.216 0.0031 1 232 15 15 C H5 H 5.717 0.0085 1 233 15 15 C H5' H 4.517 0.0037 1 234 15 15 C H5'' H 4.052 0.0050 1 235 15 15 C H6 H 7.808 0.0072 1 236 15 15 C H41 H 8.283 0.0105 1 237 15 15 C H42 H 7.17 0.0146 1 238 15 15 C C1' C 92.82 0.0055 1 239 15 15 C C2' C 77.63 0.0201 1 240 15 15 C C3' C 69.83 5.9118 1 241 15 15 C C4' C 83.42 0.0775 1 242 15 15 C C5 C 97.85 0.0010 1 243 15 15 C C5' C 65.65 0.0010 1 244 15 15 C C6 C 142.4 0.0010 1 245 15 15 C N4 N 96.17 0.0573 1 stop_ save_