data_17449 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the human Anti-codon Stem and loop(hASL) of transfer RNA Lysine III (tRNALys3) ; _BMRB_accession_number 17449 _BMRB_flat_file_name bmr17449.str _Entry_type original _Submission_date 2011-02-08 _Accession_date 2011-02-08 _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 Vendeix Franck 'A. P.' . 2 Murphy Frank V. IV 3 Leszczynska Grazyna . . 4 Cantara William . . 5 Gustilo Estella M. . 6 Sproat Brian . . 7 Malkiewicz Andrzej . . 8 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" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-03-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22227389 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vendeix Franck A.P. . 2 Murphy Frank V. 4th 3 Cantara William A. . 4 Leszczyska Grayna . . 5 Gustilo Estella M. . 6 Sproat Brian . . 7 Malkiewicz Andrzej . . 8 Agris Paul F. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 416 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 467 _Page_last 485 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tRNALys3UUU _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tRNALys3UUU $tRNALys3UUU 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_tRNALys3UUU _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*GP*CP*AP*GP*AP*CP*UP*(70U)P*UP*UP*(12A)P*AP*UP*CP*UP*GP*C)-3')_ _Molecular_mass 5644.569 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence GCAGACUXUUXAUCUGC loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 27 G 2 28 C 3 29 A 4 30 G 5 31 A 6 32 C 7 33 U 8 34 70U 9 35 U 10 36 U 11 37 12A 12 38 A 13 39 U 14 40 C 15 41 U 16 42 G 17 43 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_70U _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common 5-(O-METHYLACETO)-2-THIO-2-DEOXY-URIDINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code 70U _Standard_residue_derivative . _Molecular_mass 412.310 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 12:40:34 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 . ? S2 S2 S . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C5M C5M C . 0 . ? C8 C8 C . 0 . ? O8 O8 O . 0 . ? O9 O9 O . 0 . ? C9 C9 C . 0 . ? C1' C1' C . 0 . ? O2' O2' O . 0 . ? C2' C2' C . 0 . ? O3' O3' O . 0 . ? C3' C3' C . 0 . ? C4' C4' C . 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 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H93 H93 H . 0 . ? H1' H1' H . 0 . ? HO2' HO2' H . 0 . ? H2' H2' H . 0 . ? HO3' HO3' H . 0 . ? H3' H3' H . 0 . ? H4' H4' 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' ? ? DOUB C2 S2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C5 ? ? DOUB C5 C6 ? ? SING C5 C5M ? ? SING C6 H6 ? ? SING C5M C8 ? ? SING C5M H71 ? ? SING C5M H72 ? ? DOUB C8 O8 ? ? SING C8 O9 ? ? SING O9 C9 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C9 H93 ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING O2' C2' ? ? SING O2' HO2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O3' C3' ? ? SING O3' HO3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? 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_12A _Saveframe_category polymer_residue _Mol_type 'RNA linking' _Name_common 2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE _BMRB_code . _PDB_code 12A _Standard_residue_derivative . _Molecular_mass 538.426 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Feb 16 12:41:56 2011 ; 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 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? S2 S2 S . 0 . ? C2M C2M C . 0 . ? CC CC C . 0 . ? OO OO O . 0 . ? N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? OG1 OG1 O . 0 . ? CG2 CG2 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 . ? H8 H8 H . 0 . ? HN6 HN6 H . 0 . ? H2M1 H2M1 H . 0 . ? H2M2 H2M2 H . 0 . ? H2M3 H2M3 H . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB HB H . 0 . ? HG1 HG1 H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 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' 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 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 CC ? ? SING N6 HN6 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 S2 ? ? SING N3 C4 ? ? SING S2 C2M ? ? SING C2M H2M1 ? ? SING C2M H2M2 ? ? SING C2M H2M3 ? ? DOUB CC OO ? ? SING CC N ? ? SING N CA ? ? SING N H ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB OG1 ? ? SING CB CG2 ? ? SING CB HB ? ? SING OG1 HG1 ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $tRNALys3UUU . . . . . . 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 $tRNALys3UUU '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 $tRNALys3UUU 1.50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $tRNALys3UUU 1.50 mM 'natural abundance' D2O 100 % '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 processing 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 'data analysis' 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _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_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $Sample_2 save_ save_2D_DQF-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $Sample_2 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Sample_2 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $Sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Sample_2 save_ save_2D_1H-31P_HETCOR_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P HETCOR' _Sample_label $Sample_2 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 275 . K pH 6.2 . pH pressure 1 . atm 'ionic strength' . . M stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 295 . K pD 6.2 . pD pressure 1 . atm 'ionic strength' . . M stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 295 . K pH 6.2 . pH pressure 1 . atm 'ionic strength' . . M 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label water H 1 protons ppm 4.776 na direct . . . 1.0 $entry_citation $entry_citation stop_ save_ save_chemical_shift_reference_2 _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label water H 1 protons ppm 4.95 na direct . . . 1.0 $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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D DQF-COSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $Sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_2 _Mol_system_component_name tRNALys3UUU _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 G H1' H 5.680 0.009 1 2 27 1 G H2' H 4.254 0.005 1 3 27 1 G H3' H 4.427 0.003 1 4 27 1 G H5' H 3.872 0.003 2 5 27 1 G H5'' H 3.993 0.003 2 6 27 1 G H8 H 8.001 0.004 1 7 28 2 C H1' H 5.590 0.007 1 8 28 2 C H2' H 4.594 0.009 1 9 28 2 C H3' H 4.464 0.003 1 10 28 2 C H5 H 5.268 0.022 1 11 28 2 C H5' H 4.172 0.003 2 12 28 2 C H6 H 7.839 0.018 1 13 28 2 C H41 H 8.511 0.010 2 14 28 2 C H42 H 6.765 0.020 2 15 29 3 A H1' H 5.946 0.008 1 16 29 3 A H2 H 6.973 0.020 1 17 29 3 A H2' H 4.585 0.009 1 18 29 3 A H3' H 4.495 0.005 1 19 29 3 A H5' H 4.168 0.002 2 20 29 3 A H8 H 8.004 0.011 1 21 29 3 A H61 H 7.803 0.000 2 22 29 3 A H62 H 6.274 0.000 2 23 30 4 G H1 H 12.540 0.006 1 24 30 4 G H1' H 5.519 0.009 1 25 30 4 G H2' H 4.503 0.001 1 26 30 4 G H3' H 4.435 0.002 1 27 30 4 G H5' H 4.058 0.003 2 28 30 4 G H8 H 7.094 0.009 1 29 30 4 G H21 H 6.094 0.000 2 30 30 4 G H22 H 8.126 0.004 2 31 31 5 A H1' H 5.890 0.008 1 32 31 5 A H2 H 7.844 0.005 1 33 31 5 A H2' H 4.556 0.001 1 34 31 5 A H3' H 4.436 0.001 1 35 31 5 A H4' H 4.290 0.001 1 36 31 5 A H8 H 7.530 0.012 1 37 32 6 C H1' H 5.315 0.002 1 38 32 6 C H2' H 4.132 0.002 1 39 32 6 C H3' H 4.287 0.001 1 40 32 6 C H5 H 5.309 0.005 1 41 32 6 C H5' H 4.000 0.003 2 42 32 6 C H6 H 7.367 0.006 1 43 33 7 U H1' H 5.681 0.007 1 44 33 7 U H2' H 4.251 0.006 1 45 33 7 U H3' H 4.429 0.007 1 46 33 7 U H5 H 5.537 0.006 1 47 33 7 U H5' H 3.992 0.001 2 48 33 7 U H5'' H 3.867 0.003 2 49 33 7 U H6 H 7.637 0.010 1 50 0U 8 70U H1' H 6.467 0.009 1 51 0U 8 70U H2' H 4.353 0.006 1 52 0U 8 70U H3' H 4.508 0.001 1 53 0U 8 70U H4' H 4.237 0.001 1 54 0U 8 70U H5' H 4.059 0.001 2 55 0U 8 70U H6 H 7.894 0.009 1 56 0U 8 70U H71 H 3.440 0.006 1 57 0U 8 70U H72 H 3.440 0.006 1 58 0U 8 70U H91 H 3.591 0.000 1 59 0U 8 70U H92 H 3.591 0.000 1 60 0U 8 70U H93 H 3.591 0.000 1 61 35 9 U H1' H 5.937 0.005 1 62 35 9 U H2' H 4.346 0.004 1 63 35 9 U H3' H 4.518 0.008 1 64 35 9 U H5 H 5.850 0.022 1 65 35 9 U H5' H 3.958 0.002 2 66 35 9 U H5'' H 3.989 0.005 2 67 35 9 U H6 H 7.747 0.012 1 68 36 10 U H1' H 5.558 0.007 1 69 36 10 U H2' H 4.105 0.003 1 70 36 10 U H3' H 4.527 0.001 1 71 36 10 U H4' H 4.356 0.001 1 72 36 10 U H5 H 5.754 0.008 1 73 36 10 U H5' H 3.973 0.001 2 74 36 10 U H5'' H 4.253 0.003 2 75 36 10 U H6 H 7.517 0.007 1 76 2A 11 12A H1' H 5.967 0.004 1 77 2A 11 12A H2' H 5.010 0.008 1 78 2A 11 12A H3' H 4.498 0.005 1 79 2A 11 12A H4' H 4.368 0.003 1 80 2A 11 12A H5' H 3.978 0.001 2 81 2A 11 12A H5'' H 4.051 0.005 2 82 2A 11 12A H8 H 8.325 0.008 1 83 2A 11 12A HA H 4.334 0.007 1 84 2A 11 12A HB H 4.191 0.012 1 85 2A 11 12A HG22 H 1.332 0.012 1 86 2A 11 12A HG23 H 1.332 0.012 1 87 2A 11 12A H2M1 H 2.569 0.008 1 88 2A 11 12A H2M2 H 2.569 0.008 1 89 2A 11 12A H2M3 H 2.569 0.008 1 90 2A 11 12A H H 9.682 0.002 1 91 2A 11 12A HG1 H 1.332 0.012 1 92 38 12 A H1' H 5.951 0.007 1 93 38 12 A H2 H 8.144 0.007 1 94 38 12 A H2' H 4.593 0.001 1 95 38 12 A H3' H 4.272 0.001 1 96 38 12 A H8 H 8.190 0.004 1 97 39 13 U H1' H 5.391 0.004 1 98 39 13 U H2' H 4.465 0.004 1 99 39 13 U H3' H 4.131 0.004 1 100 39 13 U H5 H 5.567 0.013 1 101 39 13 U H6 H 7.783 0.013 1 102 40 14 C H1' H 5.604 0.009 1 103 40 14 C H2' H 4.362 0.001 1 104 40 14 C H3' H 4.509 0.003 1 105 40 14 C H5 H 5.723 0.014 1 106 40 14 C H6 H 7.938 0.017 1 107 40 14 C H41 H 8.342 0.015 2 108 40 14 C H42 H 7.013 0.036 2 109 41 15 U H1' H 5.474 0.018 1 110 41 15 U H2' H 4.588 0.007 1 111 41 15 U H3 H 13.435 0.010 1 112 41 15 U H3' H 4.439 0.001 1 113 41 15 U H4' H 4.496 0.003 1 114 41 15 U H5 H 5.410 0.007 1 115 41 15 U H6 H 7.865 0.015 1 116 42 16 G H1 H 12.612 0.008 1 117 42 16 G H1' H 5.774 0.010 1 118 42 16 G H2' H 4.364 0.001 1 119 42 16 G H3' H 4.452 0.006 1 120 42 16 G H8 H 7.735 0.013 1 121 42 16 G H21 H 5.922 0.000 2 122 42 16 G H22 H 8.148 0.000 2 123 43 17 C H1' H 5.650 0.007 1 124 43 17 C H2' H 3.938 0.001 1 125 43 17 C H3' H 4.099 0.001 1 126 43 17 C H4' H 4.596 0.002 1 127 43 17 C H5 H 5.230 0.007 1 128 43 17 C H5' H 3.936 0.002 2 129 43 17 C H6 H 7.473 0.013 1 130 43 17 C H41 H 8.250 0.001 2 131 43 17 C H42 H 6.843 0.001 2 stop_ save_