data_16654 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the human mitochondrial tRNAMet ASL containing the 5-formylcytidine modification in position 34 ; _BMRB_accession_number 16654 _BMRB_flat_file_name bmr16654.str _Entry_type new _Submission_date 2009-12-23 _Accession_date 2009-12-23 _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 Bilbille Yann . . 2 Agris Paul F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16644 'RNA (5'-R(*CP*UP*CP*GP*GP*CP*UP*AP*CP*GP*AP*AP*CP*CP*GP*AP*G)-3')' 16645 'RNA 5'-R(*CP*UP*CP*GP*GP*CP*UP*IP*CP*GP*AP*AP*CP*CP*GP*AP*G)-3'' 16650 'RNA (5'-R(*CP*UP*CP*GP*GP*(N)P*UP*IP*CP*GP*AP*AP*CP*CP*GP*AP*G)-3')' 16651 'RNA (5'-R(*CP*UP*CP*GP*GP*(N)P*UP*AP*CP*GP*AP*AP*CP*CP*GP*AP*G)-3')' 16655 'RNA (5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*CP*AP*UP*AP*CP*CP*CP*CP*GP*A)-3')' stop_ save_ ############################# # Citation for this entry # ############################# save_solution_structure_of_the_Human_mtRNAMet_f5C34 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The human mitochondrial tRNAMet: structure/function relationship of a unique modification in the decoding of unconventional codons.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21168417 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bilbille Yann . . 2 Gustilo Estella M. . 3 Harris Kimberly A. . 4 Jones Christie N. . 5 Lusic Hrvoje . . 6 Kaiser Robert J. . 7 Delaney Michael O. . 8 Spremulli Linda L. . 9 Deiters Alexander . . 10 Agris Paul F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 406 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 257 _Page_last 274 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3')' $RNA_(5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-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(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3') _Molecular_mass 5268.217 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence XCGGGCCXAUACCCCGA loop_ _Residue_seq_code _Residue_label 1 PSU 2 C 3 G 4 G 5 G 6 C 7 C 8 N 9 A 10 U 11 A 12 C 13 C 14 C 15 C 16 G 17 A 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 . _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_ save_chem_comp_N _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common 'ANY 5'-MONOPHOSPHATE NUCLEOTIDE' _BMRB_code . _PDB_code N _Standard_residue_derivative . _Molecular_mass 214.110 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:18:49 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OP3 OP3 O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? HOP3 HOP3 H . 0 . ? HOP2 HOP2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H1'2 H1'2 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 OP3 P ? ? SING OP3 HOP3 ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' H1' ? ? SING C1' H1'2 ? ? 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_(5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3') 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_(5'-R(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-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(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3') 1.0 mM 'natural abundance' 'phosphate buffer' 20 mM '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(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-3') 1 mM 'natural abundance' 'phosphate buffer' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . 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 . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details Cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'RT probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-31P_HETCOR_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HETCOR' _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 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 20 . 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 water H 1 protons ppm 4.75 internal direct . . . 1 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-1H NOESY' stop_ loop_ _Sample_label $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(*(PSU)P*CP*GP*GP*GP*CP*CP*(N)P*AP*UP*AP*CP*CP*CP*CP*GP*A)-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 27 1 PSU H1 H 11.596 0.001 1 2 27 1 PSU H1' H 5.789 0.001 1 3 27 1 PSU H2' H 4.516 0.004 1 4 27 1 PSU H3 H 11.596 0.004 1 5 27 1 PSU H3' H 4.465 0.005 1 6 27 1 PSU H4' H 4.210 0.005 1 7 27 1 PSU H5' H 3.998 0.004 2 8 27 1 PSU H5'' H 3.845 0.005 2 9 27 1 PSU H6 H 7.747 0.018 1 10 28 2 C H1' H 5.700 0.005 1 11 28 2 C H2' H 4.586 0.010 1 12 28 2 C H3' H 4.653 0.010 1 13 28 2 C H4' H 4.492 0.002 1 14 28 2 C H5 H 5.838 0.004 1 15 28 2 C H5'' H 4.047 0.004 2 16 28 2 C H6 H 8.020 0.006 1 17 28 2 C H41 H 6.936 0.015 2 18 28 2 C H42 H 8.395 0.010 2 19 29 3 G H1 H 12.263 0.001 1 20 29 3 G H1' H 5.750 0.005 1 21 29 3 G H2' H 4.647 0.030 1 22 29 3 G H3' H 4.502 0.008 1 23 29 3 G H4' H 4.435 0.059 1 24 29 3 G H5'' H 4.169 0.003 2 25 29 3 G H8 H 7.633 0.008 1 26 30 4 G H1 H 12.722 0.006 1 27 30 4 G H1' H 5.725 0.010 1 28 30 4 G H2' H 4.591 0.009 1 29 30 4 G H3' H 4.428 0.003 1 30 30 4 G H4' H 4.466 0.002 1 31 30 4 G H5'' H 4.080 0.001 2 32 30 4 G H8 H 7.134 0.006 1 33 31 5 G H1 H 13.107 0.005 1 34 31 5 G H1' H 5.754 0.003 1 35 31 5 G H2' H 4.520 0.006 1 36 31 5 G H3' H 4.375 0.011 1 37 31 5 G H4' H 4.443 0.003 1 38 31 5 G H5' H 4.471 0.010 2 39 31 5 G H5'' H 4.042 0.001 2 40 31 5 G H8 H 7.028 0.005 1 41 32 6 C H1' H 5.514 0.005 1 42 32 6 C H2' H 4.246 0.003 1 43 32 6 C H3' H 4.339 0.009 1 44 32 6 C H4' H 4.345 0.006 1 45 32 6 C H5 H 5.241 0.007 1 46 32 6 C H5'' H 4.086 0.003 2 47 32 6 C H6 H 7.361 0.004 1 48 33 7 C H1' H 5.674 0.014 1 49 33 7 C H2' H 4.771 0.050 1 50 33 7 C H3' H 4.443 0.089 1 51 33 7 C H5 H 5.960 0.004 1 52 33 7 C H5'' H 4.105 0.006 2 53 33 7 C H6 H 7.825 0.007 1 54 34 8 N H1' H 5.454 0.007 1 55 34 8 N H2' H 4.347 0.015 1 56 34 8 N H3' H 4.391 0.006 1 57 34 8 N H4' H 4.320 0.005 1 58 34 8 N H5'' H 4.101 0.001 2 59 34 8 N H6 H 8.704 0.005 1 60 34 8 N H7 H 9.541 0.008 1 61 35 9 A H1' H 5.992 0.005 1 62 35 9 A H2 H 7.717 0.002 1 63 35 9 A H2' H 4.455 0.002 1 64 35 9 A H3' H 5.143 0.010 1 65 35 9 A H4' H 4.375 0.002 1 66 35 9 A H5'' H 4.076 0.003 2 67 35 9 A H8 H 8.053 0.007 1 68 36 10 U H1' H 5.934 0.001 1 69 36 10 U H2' H 4.569 0.006 1 70 36 10 U H3' H 4.610 0.003 1 71 36 10 U H4' H 4.466 0.001 1 72 36 10 U H5 H 5.723 0.004 1 73 36 10 U H6 H 7.775 0.004 1 74 37 11 A H1' H 5.961 0.007 1 75 37 11 A H2 H 7.779 0.090 1 76 37 11 A H2' H 4.860 0.008 1 77 37 11 A H3' H 4.538 0.005 1 78 37 11 A H4' H 4.542 0.002 1 79 37 11 A H5' H 4.518 0.002 2 80 37 11 A H5'' H 4.235 0.002 2 81 38 12 C H1' H 5.274 0.008 1 82 38 12 C H2' H 4.583 0.007 1 83 38 12 C H3' H 4.228 0.005 1 84 38 12 C H4' H 4.400 0.001 1 85 38 12 C H5 H 5.200 0.011 1 86 38 12 C H5'' H 4.093 0.000 2 87 38 12 C H6 H 7.089 0.005 1 88 39 13 C H1' H 5.555 0.011 1 89 39 13 C H2' H 4.353 0.005 1 90 39 13 C H3' H 4.524 0.005 1 91 39 13 C H4' H 4.408 0.005 1 92 39 13 C H5 H 5.736 0.012 1 93 39 13 C H5'' H 4.103 0.001 2 94 39 13 C H6 H 7.933 0.006 1 95 39 13 C H41 H 7.247 0.016 2 96 39 13 C H42 H 8.576 0.008 2 97 40 14 C H1' H 5.543 0.005 1 98 40 14 C H2' H 4.351 0.003 1 99 40 14 C H3' H 4.545 0.004 1 100 40 14 C H4' H 4.412 0.002 1 101 40 14 C H5 H 5.546 0.004 1 102 40 14 C H5'' H 4.081 0.001 2 103 40 14 C H6 H 7.905 0.009 1 104 40 14 C H41 H 6.999 0.012 2 105 40 14 C H42 H 8.474 0.007 2 106 41 15 C H1' H 5.495 0.007 1 107 41 15 C H2' H 4.535 0.003 1 108 41 15 C H3' H 4.565 0.009 1 109 41 15 C H4' H 4.394 0.008 1 110 41 15 C H5 H 5.486 0.008 1 111 41 15 C H5'' H 4.088 0.001 2 112 41 15 C H6 H 7.759 0.006 1 113 41 15 C H41 H 6.760 0.011 2 114 41 15 C H42 H 8.278 0.008 2 115 42 16 G H1' H 5.665 0.004 1 116 42 16 G H2' H 4.478 0.004 1 117 42 16 G H3' H 4.573 0.004 1 118 42 16 G H4' H 4.442 0.001 1 119 42 16 G H5'' H 4.101 0.007 2 120 42 16 G H8 H 7.517 0.004 1 121 43 17 A H1' H 6.041 0.003 1 122 43 17 A H2 H 7.996 0.005 1 123 43 17 A H2' H 4.121 0.006 1 124 43 17 A H3' H 4.323 0.003 1 125 43 17 A H4' H 4.282 0.001 1 126 43 17 A H5' H 4.289 0.001 2 127 43 17 A H5'' H 4.077 0.006 2 128 43 17 A H8 H 7.862 0.003 1 129 43 17 A H61 H 8.069 0.002 2 130 43 17 A H62 H 8.912 0.001 2 stop_ save_