data_5530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Naturally occurring modifications reduces the anticodon domain conformational space of tRNA-PHE ; _BMRB_accession_number 5530 _BMRB_flat_file_name bmr5530.str _Entry_type original _Submission_date 2002-09-13 _Accession_date 2002-09-13 _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 Stuart J. W. . 2 Koshlap K. M. . 3 Guenther R. H. . 4 Agris P. F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5531 'Nucleotide 37 Guanosine to 1N-Methylguanosine mutation' stop_ _Original_release_date 2005-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Naturally occurring modifications restricts the anticodon domain conformational space of tRNA-PHE ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14643656 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stuart J. W. . 2 Koshlap K. M. . 3 Guenther R. H. . 4 Agris P. F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 334 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 901 _Page_last 918 _Year 2003 _Details . loop_ _Keyword 2'-O-METHYL 'ANTICODON STEM LOOP' M5C 'RNA HAIRPIN' TRNA 'TRNA DOMAIN' stop_ save_ ################################## # Molecular system description # ################################## save_system_TRNA-PHE _Saveframe_category molecular_system _Mol_system_name 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3' _Abbreviation_common TRNA-PHE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3' $TRNA-PHE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TRNA-PHE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3' _Abbreviation_common TRNA-PHE _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence CCAGAXUXAAGAUXUGG loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 27 C 2 28 C 3 29 A 4 30 G 5 31 A 6 32 OMC 7 33 U 8 34 OMG 9 35 A 10 36 A 11 37 G 12 38 A 13 39 U 14 40 5MC 15 41 U 16 42 G 17 43 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_OMC _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code OMC _Standard_residue_derivative . _Molecular_mass 337.223 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:23:33 2011 ; 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 . ? N4 N4 N . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? CM2 CM2 C . 0 . ? C3' C3' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? O3' O3' 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 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? HN41 HN41 H . 0 . ? HN42 HN42 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? HM21 HM21 H . 0 . ? HM22 HM22 H . 0 . ? HM23 HM23 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 C1' ? ? SING C2 N3 ? ? DOUB C2 O2 ? ? DOUB N3 C4 ? ? SING C4 C5 ? ? SING C4 N4 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? SING N4 HN41 ? ? SING N4 HN42 ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' CM2 ? ? SING CM2 HM21 ? ? SING CM2 HM22 ? ? SING CM2 HM23 ? ? 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_OMG _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code OMG _Standard_residue_derivative . _Molecular_mass 377.247 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:29:36 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 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 . ? CM2 CM2 C . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 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 . ? HM21 HM21 H . 0 . ? HM22 HM22 H . 0 . ? HM23 HM23 H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 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 DOUB P OP1 ? ? SING P OP2 ? ? SING P OP3 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING OP3 HOP3 ? ? 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' CM2 ? ? SING CM2 HM21 ? ? SING CM2 HM22 ? ? SING CM2 HM23 ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ save_ save_chem_comp_5MC _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common 5-METHYLCYTIDINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code 5MC _Standard_residue_derivative . _Molecular_mass 337.223 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 11:31:32 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 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 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? N4 N4 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? CM5 CM5 C . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 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 . ? HN41 HN41 H . 0 . ? HN42 HN42 H . 0 . ? H6 H6 H . 0 . ? HM51 HM51 H . 0 . ? HM52 HM52 H . 0 . ? HM53 HM53 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 DOUB P OP1 ? ? SING P OP2 ? ? SING P OP3 ? ? SING P O5' ? ? SING OP2 HOP2 ? ? SING OP3 HOP3 ? ? 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' N1 ? ? SING C1' H1' ? ? SING N1 C2 ? ? SING N1 C6 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? DOUB N3 C4 ? ? SING C4 N4 ? ? SING C4 C5 ? ? SING N4 HN41 ? ? SING N4 HN42 ? ? DOUB C5 C6 ? ? SING C5 CM5 ? ? SING C6 H6 ? ? SING CM5 HM51 ? ? SING CM5 HM52 ? ? SING CM5 HM53 ? ? stop_ save_ ############# # Ligands # ############# save_OMC _Saveframe_category ligand _Mol_type non-polymer _Name_common OMC _Molecular_mass . _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ save_OMG _Saveframe_category ligand _Mol_type non-polymer _Name_common OMG _Molecular_mass . _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ save_5MC _Saveframe_category ligand _Mol_type non-polymer _Name_common 5MC _Molecular_mass . _Details . _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TRNA-PHE 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $TRNA-PHE '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 $TRNA-PHE 1.6 mM . 'cacodylate buffer' 10 mM . EDTA 0.1 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version . loop_ _Task collection stop_ _Details Bruker save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task 'data analysis' stop_ _Details Accelrys save_ save_DISCOVER _Saveframe_category software _Name DISCOVER _Version 98 loop_ _Task refinement stop_ _Details Accelrys save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.60 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 5'-R(*CP*CP*AP*GP*AP*(OMC)P*UP*(OMG)P*AP*AP*GP*AP*UP*(5MC)P*UP*GP*G)-3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 C H41 H 7.49 . 1 2 . 1 C H42 H 8.29 . 1 3 . 1 C H5 H 6.071 . 1 4 . 1 C H6 H 8.172 . 1 5 . 1 C H1' H 5.624 . 1 6 . 1 C H3' H 4.521 . 1 7 . 1 C H4' H 4.360 . 1 8 . 1 C H5' H 4.105 . 2 9 . 1 C H5'' H 3.953 . 2 10 . 1 C H2' H 4.494 . 1 11 . 2 C H41 H 7.100 . 1 12 . 2 C H42 H 8.457 . 1 13 . 2 C H5 H 5.711 . 1 14 . 2 C H6 H 7.980 . 1 15 . 2 C H1' H 5.588 . 1 16 . 2 C H3' H 4.695 . 1 17 . 2 C H2' H 4.599 . 1 18 . 2 C H4' H 4.457 . 1 19 . 3 A H61 H 7.710 . 1 20 . 3 A H62 H 6.293 . 1 21 . 3 A H1' H 5.934 . 1 22 . 3 A H8 H 8.049 . 1 23 . 3 A H2 H 7.024 . 1 24 . 3 A H3' H 4.777 . 1 25 . 3 A H2' H 4.727 . 1 26 . 3 A H4' H 4.539 . 1 27 . 3 A H5' H 4.219 . 2 28 . 4 G H1 H 12.59 . 1 29 . 4 G H21 H 6.165 . 1 30 . 4 G H22 H 8.24 . 1 31 . 4 G H1' H 5.567 . 1 32 . 4 G H8 H 7.209 . 1 33 . 4 G H2' H 4.598 . 1 34 . 4 G H4' H 4.467 . 1 35 . 4 G H3' H 4.447 . 1 36 . 5 A H61 H 7.707 . 1 37 . 5 A H62 H 6.779 . 1 38 . 5 A H2 H 7.840 . 1 39 . 5 A H8 H 7.516 . 1 40 . 5 A H1' H 5.831 . 1 41 . 5 A H3' H 4.386 . 1 42 . 5 A H4' H 4.469 . 1 43 . 5 A H2' H 4.628 . 1 44 . 5 A H5' H 4.076 . 2 45 . 6 OMC HN41 H 6.89 . 1 46 . 6 OMC HN42 H 7.28 . 1 47 . 6 OMC H5 H 5.326 . 1 48 . 6 OMC H6 H 7.555 . 1 49 . 6 OMC H1' H 5.538 . 1 50 . 6 OMC HM21 H 3.647 . 2 51 . 6 OMC H3' H 4.389 . 1 52 . 6 OMC H2' H 4.285 . 1 53 . 6 OMC H4' H 3.842 . 1 54 . 7 U H1' H 5.606 . 1 55 . 7 U H5 H 5.430 . 1 56 . 7 U H6 H 7.581 . 1 57 . 7 U H2' H 4.229 . 1 58 . 7 U H3' H 4.451 . 1 59 . 7 U H4' H 4.367 . 1 60 . 8 OMG H1' H 5.652 . 1 61 . 8 OMG H8 H 8.191 . 1 62 . 8 OMG H3' H 4.712 . 1 63 . 8 OMG H2' H 4.472 . 1 64 . 8 OMG HM21 H 3.356 . 2 65 . 8 OMG H4' H 4.011 . 1 66 . 8 OMG H5' H 3.892 . 2 67 . 8 OMG H5'' H 3.750 . 2 68 . 9 A H1' H 5.557 . 1 69 . 9 A H8 H 7.938 . 1 70 . 9 A H2 H 8.01 . 1 71 . 9 A H3' H 4.792 . 1 72 . 9 A H2' H 4.496 . 1 73 . 9 A H4' H 4.323 . 1 74 . 10 A H1' H 5.891 . 1 75 . 10 A H8 H 8.069 . 1 76 . 10 A H3' H 4.924 . 1 77 . 10 A H2' H 4.792 . 1 78 . 10 A H4' H 4.457 . 1 79 . 10 A H5' H 4.065 . 2 80 . 10 A H2 H 8.12 . 1 81 . 11 G H8 H 7.994 . 1 82 . 11 G H1' H 5.848 . 1 83 . 11 G H3' H 4.848 . 1 84 . 11 G H2' H 4.829 . 1 85 . 11 G H5' H 4.332 . 2 86 . 11 G H4' H 4.574 . 1 87 . 12 A H8 H 8.221 . 1 88 . 12 A H1' H 5.700 . 1 89 . 12 A H2 H 8.192 . 1 90 . 12 A H2' H 4.650 . 1 91 . 12 A H4' H 4.561 . 1 92 . 12 A H3' H 4.442 . 1 93 . 12 A H5' H 4.382 . 2 94 . 13 U H3 H 14.681 . 1 95 . 13 U H1' H 5.411 . 1 96 . 13 U H5 H 5.311 . 1 97 . 13 U H6 H 7.707 . 1 98 . 13 U H2' H 4.369 . 1 99 . 13 U H3' H 4.442 . 1 100 . 14 5MC HN41 H 6.739 . 1 101 . 14 5MC HN42 H 8.447 . 1 102 . 14 5MC H1' H 5.594 . 1 103 . 14 5MC H6 H 7.786 . 1 104 . 14 5MC H2' H 4.279 . 1 105 . 14 5MC H3' H 4.531 . 1 106 . 14 5MC HM51 H 1.682 . 2 107 . 15 U H3 H 13.306 . 1 108 . 15 U H5 H 5.312 . 1 109 . 15 U H6 H 7.788 . 1 110 . 15 U H1' H 5.519 . 1 111 . 15 U H3' H 4.628 . 1 112 . 15 U H2' H 4.603 . 1 113 . 16 G H1 H 12.395 . 1 114 . 16 G H21 H 5.909 . 1 115 . 16 G H22 H 7.951 . 1 116 . 16 G H8 H 7.697 . 1 117 . 16 G H1' H 5.744 . 1 118 . 16 G H3' H 4.547 . 1 119 . 16 G H2' H 4.514 . 1 120 . 17 G H1 H 13.14 . 1 121 . 17 G H1' H 5.774 . 1 122 . 17 G H8 H 7.393 . 1 123 . 17 G H3' H 4.211 . 1 124 . 17 G H2' H 4.056 . 1 stop_ save_