data_19018 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of E. coli ribosomela decoding site with apramycin ; _BMRB_accession_number 19018 _BMRB_flat_file_name bmr19018.str _Entry_type original _Submission_date 2013-02-10 _Accession_date 2013-02-10 _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 Puglisi Joseph D. . 2 Tsai Albert . . 3 Marshall 'R. Andrew' . . 4 Viani Elisabetta . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 "13C chemical shifts" 151 "15N chemical shifts" 8 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-14 update BMRB 'update assignments' 2013-03-13 original author 'original release' stop_ _Original_release_date 2013-03-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The impact of aminoglycosides on the dynamics of translation elongation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23416053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsai Albert . . 2 Uemura Sotaro . . 3 Johansson Magnus . . 4 Puglisi 'Elisabetta Viani' . . 5 Marshall 'R. Andrew' . . 6 Aitken 'Colin Echeverria' . . 7 Korlach Jonas . . 8 Ehrenberg Mans . . 9 Puglisi Joseph D. . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 497 _Page_last 508 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E. coli ribosomela decoding site with apramycin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RNA $RNA APRAMYCIN_1 $entity_AM2 APRAMYCIN_2 $entity_AM2 APRAMYCIN_3 $entity_AM2 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 132.116 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; GGCGUCACACCUUCGGGUGA AGUCGCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 C 4 4 G 5 5 U 6 6 C 7 7 A 8 8 C 9 9 A 10 10 C 11 11 C 12 12 U 13 13 U 14 14 C 15 15 G 16 16 G 17 17 G 18 18 U 19 19 G 20 20 A 21 21 A 22 22 G 23 23 U 24 24 C 25 25 G 26 26 C 27 27 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_AM2 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common APRAMYCIN _BMRB_code AM2 _PDB_code AM2 _Molecular_mass 539.577 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA1 CA1 C . 0 . ? CA2 CA2 C . 0 . ? CA3 CA3 C . 0 . ? CA4 CA4 C . 0 . ? CA5 CA5 C . 0 . ? CA6 CA6 C . 0 . ? CA7 CA7 C . 0 . ? CA8 CA8 C . 0 . ? CA9 CA9 C . 0 . ? OA4 OA4 O . 0 . ? OA5 OA5 O . 0 . ? NA2 NA2 N . 0 . ? NA7 NA7 N . 0 . ? OA6 OA6 O . 0 . ? OA8 OA8 O . 0 . ? OA1 OA1 O . 0 . ? CB1 CB1 C . 0 . ? CB2 CB2 C . 0 . ? CB3 CB3 C . 0 . ? CB4 CB4 C . 0 . ? CB5 CB5 C . 0 . ? CB6 CB6 C . 0 . ? OB1 OB1 O . 0 . ? NB4 NB4 N . 0 . ? OB2 OB2 O . 0 . ? OB3 OB3 O . 0 . ? OB6 OB6 O . 0 . ? CC1 CC1 C . 0 . ? CC2 CC2 C . 0 . ? CC3 CC3 C . 0 . ? CC4 CC4 C . 0 . ? CC5 CC5 C . 0 . ? CC6 CC6 C . 0 . ? NC4 NC4 N . 0 . ? NC6 NC6 N . 0 . ? OC2 OC2 O . 0 . ? OC3 OC3 O . 0 . ? HA1 HA1 H . 0 . ? HA2 HA2 H . 0 . ? HA31 HA31 H . 0 . ? HA32 HA32 H . 0 . ? HA4 HA4 H . 0 . ? HA5 HA5 H . 0 . ? HA6 HA6 H . 0 . ? HA7 HA7 H . 0 . ? HA8 HA8 H . 0 . ? HA91 HA91 H . 0 . ? HA92 HA92 H . 0 . ? HA93 HA93 H . 0 . ? HA21 HA21 H . 0 . ? HA22 HA22 H . 0 . ? H2 H2 H . 0 . ? H1 H1 H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HB4 HB4 H . 0 . ? HB5 HB5 H . 0 . ? HB61 HB61 H . 0 . ? HB62 HB62 H . 0 . ? HB41 HB41 H . 0 . ? HB42 HB42 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? HB6 HB6 H . 0 . ? HC1 HC1 H . 0 . ? HC2 HC2 H . 0 . ? HC3 HC3 H . 0 . ? HC4 HC4 H . 0 . ? HC51 HC51 H . 0 . ? HC52 HC52 H . 0 . ? HC6 HC6 H . 0 . ? HC41 HC41 H . 0 . ? HC42 HC42 H . 0 . ? HC61 HC61 H . 0 . ? HC62 HC62 H . 0 . ? H3 H3 H . 0 . ? H4 H4 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 CA1 CA2 ? ? SING CA1 OA4 ? ? SING CA1 OA1 ? ? SING CA1 HA1 ? ? SING CA2 CA3 ? ? SING CA2 NA2 ? ? SING CA2 HA2 ? ? SING CA3 CA4 ? ? SING CA3 HA31 ? ? SING CA3 HA32 ? ? SING CA4 CA5 ? ? SING CA4 OA5 ? ? SING CA4 HA4 ? ? SING CA5 CA6 ? ? SING CA5 OA4 ? ? SING CA5 HA5 ? ? SING CA6 CA7 ? ? SING CA6 OA6 ? ? SING CA6 HA6 ? ? SING CA7 CA8 ? ? SING CA7 NA7 ? ? SING CA7 HA7 ? ? SING CA8 OA5 ? ? SING CA8 OA8 ? ? SING CA8 HA8 ? ? SING CA9 NA7 ? ? SING CA9 HA91 ? ? SING CA9 HA92 ? ? SING CA9 HA93 ? ? SING NA2 HA21 ? ? SING NA2 HA22 ? ? SING NA7 H2 ? ? SING OA6 H1 ? ? SING OA8 CB1 ? ? SING OA1 CC1 ? ? SING CB1 CB2 ? ? SING CB1 OB1 ? ? SING CB1 HB1 ? ? SING CB2 CB3 ? ? SING CB2 OB2 ? ? SING CB2 HB2 ? ? SING CB3 CB4 ? ? SING CB3 OB3 ? ? SING CB3 HB3 ? ? SING CB4 CB5 ? ? SING CB4 NB4 ? ? SING CB4 HB4 ? ? SING CB5 CB6 ? ? SING CB5 OB1 ? ? SING CB5 HB5 ? ? SING CB6 OB6 ? ? SING CB6 HB61 ? ? SING CB6 HB62 ? ? SING NB4 HB41 ? ? SING NB4 HB42 ? ? SING OB2 H5 ? ? SING OB3 H6 ? ? SING OB6 HB6 ? ? SING CC1 CC2 ? ? SING CC1 CC6 ? ? SING CC1 HC1 ? ? SING CC2 CC3 ? ? SING CC2 OC2 ? ? SING CC2 HC2 ? ? SING CC3 CC4 ? ? SING CC3 OC3 ? ? SING CC3 HC3 ? ? SING CC4 CC5 ? ? SING CC4 NC4 ? ? SING CC4 HC4 ? ? SING CC5 CC6 ? ? SING CC5 HC51 ? ? SING CC5 HC52 ? ? SING CC6 NC6 ? ? SING CC6 HC6 ? ? SING NC4 HC41 ? ? SING NC4 HC42 ? ? SING NC6 HC61 ? ? SING NC6 HC62 ? ? SING OC2 H3 ? ? SING OC3 H4 ? ? stop_ _Mol_thiol_state 'not present' _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 $RNA . . . . . . 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' . . . . . $entity_AM2 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1:1 complex of RNA-apramycin' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA . mM 0.5 1 '[U-100% 13C; U-100% 15N]' $entity_AM2 . mM 0.5 1 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'unlabeled complex' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA . mM 0.5 1 'natural abundance' $entity_AM2 . mM 0.5 1 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 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_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 DQF-COSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RNA _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 12.340 0.02 . 2 1 1 G H1' H 5.602 0.02 . 3 1 1 G H2' H 3.868 0.02 . 4 1 1 G H3' H 4.076 0.02 . 5 1 1 G H4' H 4.085 0.02 . 6 1 1 G H5' H 3.958 0.02 . 7 1 1 G H5'' H 4.322 0.02 . 8 1 1 G H8 H 7.613 0.02 . 9 1 1 G C1' C 92.880 0.10 . 10 1 1 G C2' C 77.490 0.10 . 11 1 1 G C3' C 69.840 0.10 . 12 1 1 G C4' C 83.690 0.10 . 13 1 1 G C5' C 65.120 0.10 . 14 1 1 G C8 C 136.400 0.10 . 15 1 1 G N1 N 147.900 0.10 . 16 2 2 G H1 H 13.380 0.02 . 17 2 2 G H1' H 5.882 0.02 . 18 2 2 G H2' H 4.417 0.02 . 19 2 2 G H3' H 4.595 0.02 . 20 2 2 G H4' H 4.483 0.02 . 21 2 2 G H5' H 4.373 0.02 . 22 2 2 G H5'' H 4.151 0.02 . 23 2 2 G H8 H 7.644 0.02 . 24 2 2 G C1' C 92.950 0.10 . 25 2 2 G C2' C 75.440 0.10 . 26 2 2 G C3' C 72.490 0.10 . 27 2 2 G C4' C 82.170 0.10 . 28 2 2 G C5' C 66.620 0.10 . 29 2 2 G C8 C 136.700 0.10 . 30 2 2 G N1 N 148.600 0.10 . 31 3 3 C H1' H 5.894 0.02 . 32 3 3 C H2' H 4.673 0.02 . 33 3 3 C H3' H 4.443 0.02 . 34 3 3 C H4' H 4.374 0.02 . 35 3 3 C H5 H 5.145 0.02 . 36 3 3 C H6 H 7.626 0.02 . 37 3 3 C H41 H 8.567 0.02 . 38 3 3 C H42 H 6.629 0.02 . 39 3 3 C C1' C 93.800 0.10 . 40 3 3 C C2' C 75.550 0.10 . 41 3 3 C C3' C 72.280 0.10 . 42 3 3 C C4' C 82.030 0.10 . 43 3 3 C C5 C 97.110 0.10 . 44 3 3 C C6 C 140.500 0.10 . 45 3 3 C N4 N 98.860 0.10 . 46 4 4 G H1 H 13.230 0.02 . 47 4 4 G H1' H 5.501 0.02 . 48 4 4 G H2' H 4.591 0.02 . 49 4 4 G H3' H 4.156 0.02 . 50 4 4 G H4' H 4.464 0.02 . 51 4 4 G H5' H 4.371 0.02 . 52 4 4 G H5'' H 4.053 0.02 . 53 4 4 G H8 H 7.353 0.02 . 54 4 4 G C1' C 93.450 0.10 . 55 4 4 G C2' C 75.380 0.10 . 56 4 4 G C3' C 73.510 0.10 . 57 4 4 G C4' C 82.160 0.10 . 58 4 4 G C5' C 66.850 0.10 . 59 4 4 G C8 C 135.900 0.10 . 60 4 4 G N1 N 148.100 0.10 . 61 5 5 U H1' H 5.668 0.02 . 62 5 5 U H2' H 3.865 0.02 . 63 5 5 U H3 H 10.740 0.02 . 64 5 5 U H3' H 4.418 0.02 . 65 5 5 U H4' H 4.317 0.02 . 66 5 5 U H5 H 5.641 0.02 . 67 5 5 U H5' H 4.045 0.02 . 68 5 5 U H5'' H 4.462 0.02 . 69 5 5 U H6 H 7.913 0.02 . 70 5 5 U C1' C 93.720 0.10 . 71 5 5 U C2' C 75.380 0.10 . 72 5 5 U C3' C 72.310 0.10 . 73 5 5 U C4' C 82.380 0.10 . 74 5 5 U C5' C 63.910 0.10 . 75 6 6 C H1' H 5.381 0.02 . 76 6 6 C H2' H 4.469 0.02 . 77 6 6 C H3' H 4.620 0.02 . 78 6 6 C H4' H 4.347 0.02 . 79 6 6 C H5 H 5.641 0.02 . 80 6 6 C H5' H 4.052 0.02 . 81 6 6 C H6 H 7.913 0.02 . 82 6 6 C H41 H 7.962 0.02 . 83 6 6 C H42 H 7.079 0.02 . 84 6 6 C C1' C 93.750 0.10 . 85 6 6 C C2' C 75.660 0.10 . 86 6 6 C C3' C 72.810 0.10 . 87 6 6 C C5 C 97.950 0.10 . 88 6 6 C C5' C 66.070 0.10 . 89 6 6 C C6 C 140.400 0.10 . 90 6 6 C N4 N 98.600 0.10 . 91 7 7 A H1' H 5.663 0.02 . 92 7 7 A H2' H 4.511 0.02 . 93 7 7 A H3' H 4.513 0.02 . 94 7 7 A H4' H 4.497 0.02 . 95 7 7 A H5' H 4.177 0.02 . 96 7 7 A H5'' H 4.484 0.02 . 97 7 7 A H8 H 8.061 0.02 . 98 7 7 A C1' C 92.850 0.10 . 99 7 7 A C2' C 75.760 0.10 . 100 7 7 A C3' C 73.240 0.10 . 101 7 7 A C4' C 82.310 0.10 . 102 7 7 A C5' C 66.070 0.10 . 103 8 8 C H1' H 5.932 0.02 . 104 8 8 C H2' H 4.178 0.02 . 105 8 8 C H3' H 4.445 0.02 . 106 8 8 C H4' H 4.297 0.02 . 107 8 8 C H5 H 5.386 0.02 . 108 8 8 C H5' H 4.052 0.02 . 109 8 8 C H41 H 8.392 0.02 . 110 8 8 C H42 H 6.958 0.02 . 111 8 8 C C1' C 93.710 0.10 . 112 8 8 C C2' C 74.990 0.10 . 113 8 8 C C3' C 72.170 0.10 . 114 8 8 C C4' C 82.060 0.10 . 115 8 8 C C5 C 97.950 0.10 . 116 8 8 C C6 C 140.400 0.10 . 117 8 8 C N4 N 96.600 0.10 . 118 9 9 A H1' H 5.072 0.02 . 119 9 9 A H2 H 7.423 0.02 . 120 9 9 A H2' H 4.383 0.02 . 121 9 9 A H3' H 4.663 0.02 . 122 9 9 A H4' H 4.386 0.02 . 123 9 9 A H5' H 4.078 0.02 . 124 9 9 A H5'' H 4.487 0.02 . 125 9 9 A H8 H 8.061 0.02 . 126 9 9 A C1' C 92.720 0.10 . 127 9 9 A C2 C 153.400 0.10 . 128 9 9 A C2' C 75.590 0.10 . 129 9 9 A C3' C 72.480 0.10 . 130 9 9 A C4' C 81.870 0.10 . 131 9 9 A C5' C 64.570 0.10 . 132 9 9 A C8 C 139.600 0.10 . 133 10 10 C H1' H 5.802 0.02 . 134 10 10 C H2' H 4.186 0.02 . 135 10 10 C H3' H 4.315 0.02 . 136 10 10 C H4' H 4.328 0.02 . 137 10 10 C H5 H 5.161 0.02 . 138 10 10 C H5' H 4.042 0.02 . 139 10 10 C H5'' H 4.452 0.02 . 140 10 10 C H6 H 7.514 0.02 . 141 10 10 C H41 H 8.406 0.02 . 142 10 10 C H42 H 6.883 0.02 . 143 10 10 C C1' C 93.460 0.10 . 144 10 10 C C2' C 75.640 0.10 . 145 10 10 C C3' C 72.180 0.10 . 146 10 10 C C4' C 81.810 0.10 . 147 10 10 C C5 C 96.920 0.10 . 148 10 10 C C5' C 64.030 0.10 . 149 10 10 C C6 C 140.800 0.10 . 150 10 10 C N4 N 98.950 0.10 . 151 11 11 C H1' H 5.378 0.02 . 152 11 11 C H2' H 4.427 0.02 . 153 11 11 C H3' H 4.231 0.02 . 154 11 11 C H4' H 4.353 0.02 . 155 11 11 C H5 H 5.386 0.02 . 156 11 11 C H5' H 3.995 0.02 . 157 11 11 C H6 H 7.571 0.02 . 158 11 11 C H41 H 8.501 0.02 . 159 11 11 C H42 H 6.747 0.02 . 160 11 11 C C1' C 93.940 0.10 . 161 11 11 C C2' C 75.440 0.10 . 162 11 11 C C3' C 71.850 0.10 . 163 11 11 C C4' C 81.860 0.10 . 164 11 11 C C5 C 97.840 0.10 . 165 11 11 C C5' C 64.520 0.10 . 166 11 11 C C6 C 140.900 0.10 . 167 12 12 U H1' H 5.437 0.02 . 168 12 12 U H2' H 3.726 0.02 . 169 12 12 U H3 H 11.080 0.02 . 170 12 12 U H3' H 4.479 0.02 . 171 12 12 U H4' H 4.325 0.02 . 172 12 12 U H5 H 5.707 0.02 . 173 12 12 U H5' H 4.046 0.02 . 174 12 12 U H5'' H 4.046 0.02 . 175 12 12 U H6 H 7.717 0.02 . 176 12 12 U C1' C 94.570 0.10 . 177 12 12 U C2' C 75.920 0.10 . 178 12 12 U C3' C 73.100 0.10 . 179 12 12 U C4' C 82.410 0.10 . 180 12 12 U C5 C 105.000 0.10 . 181 12 12 U C5' C 64.050 0.10 . 182 12 12 U C6 C 140.600 0.10 . 183 13 13 U H1' H 5.558 0.02 . 184 13 13 U H2' H 4.637 0.02 . 185 13 13 U H3 H 11.080 0.02 . 186 13 13 U H3' H 3.967 0.02 . 187 13 13 U H4' H 4.438 0.02 . 188 13 13 U H5 H 5.818 0.02 . 189 13 13 U H5' H 4.193 0.02 . 190 13 13 U H5'' H 3.995 0.02 . 191 13 13 U H6 H 7.993 0.02 . 192 13 13 U C1' C 89.220 0.10 . 193 13 13 U C2' C 74.610 0.10 . 194 13 13 U C3' C 77.790 0.10 . 195 13 13 U C4' C 86.880 0.10 . 196 13 13 U C5 C 105.500 0.10 . 197 13 13 U C6 C 144.700 0.10 . 198 14 14 C H1' H 6.057 0.02 . 199 14 14 C H2' H 4.054 0.02 . 200 14 14 C H3' H 4.439 0.02 . 201 14 14 C H4' H 3.735 0.02 . 202 14 14 C H5 H 6.087 0.02 . 203 14 14 C H5' H 3.567 0.02 . 204 14 14 C H5'' H 2.669 0.02 . 205 14 14 C H6 H 7.646 0.02 . 206 14 14 C H41 H 7.112 0.02 . 207 14 14 C H42 H 6.260 0.02 . 208 14 14 C C1' C 89.070 0.10 . 209 14 14 C C2' C 77.590 0.10 . 210 14 14 C C3' C 80.280 0.10 . 211 14 14 C C4' C 84.350 0.10 . 212 14 14 C C5 C 98.750 0.10 . 213 14 14 C C5' C 67.270 0.10 . 214 14 14 C C6 C 142.800 0.10 . 215 14 14 C N4 N 93.710 0.10 . 216 15 15 G H1 H 9.811 0.02 . 217 15 15 G H1' H 5.910 0.02 . 218 15 15 G H2' H 4.834 0.02 . 219 15 15 G H3' H 5.597 0.02 . 220 15 15 G H4' H 4.359 0.02 . 221 15 15 G H5' H 4.364 0.02 . 222 15 15 G H5'' H 4.144 0.02 . 223 15 15 G H8 H 7.819 0.02 . 224 15 15 G C1' C 94.610 0.10 . 225 15 15 G C2' C 77.240 0.10 . 226 15 15 G C3' C 75.910 0.10 . 227 15 15 G C4' C 83.130 0.10 . 228 15 15 G C5' C 69.010 0.10 . 229 15 15 G C8 C 142.900 0.10 . 230 16 16 G H1 H 12.880 0.02 . 231 16 16 G H1' H 5.915 0.02 . 232 16 16 G H2' H 4.552 0.02 . 233 16 16 G H3' H 4.250 0.02 . 234 16 16 G H4' H 4.372 0.02 . 235 16 16 G H5' H 4.233 0.02 . 236 16 16 G H5'' H 4.489 0.02 . 237 16 16 G H8 H 8.273 0.02 . 238 16 16 G C1' C 92.980 0.10 . 239 16 16 G C2' C 74.980 0.10 . 240 16 16 G C3' C 74.670 0.10 . 241 16 16 G C4' C 82.730 0.10 . 242 16 16 G C5' C 64.360 0.10 . 243 16 16 G C8 C 138.800 0.10 . 244 17 17 G H1 H 13.110 0.02 . 245 17 17 G H1' H 4.442 0.02 . 246 17 17 G H2' H 4.467 0.02 . 247 17 17 G H3' H 4.433 0.02 . 248 17 17 G H4' H 4.383 0.02 . 249 17 17 G H5' H 4.438 0.02 . 250 17 17 G H5'' H 3.981 0.02 . 251 17 17 G H8 H 7.233 0.02 . 252 17 17 G C1' C 93.180 0.10 . 253 17 17 G C2' C 75.310 0.10 . 254 17 17 G C3' C 72.430 0.10 . 255 17 17 G C4' C 81.880 0.10 . 256 17 17 G C5' C 64.360 0.10 . 257 17 17 G C8 C 136.300 0.10 . 258 18 18 U H1' H 5.774 0.02 . 259 18 18 U H3 H 13.890 0.02 . 260 18 18 U H5 H 5.130 0.02 . 261 18 18 U H6 H 7.633 0.02 . 262 18 18 U C1' C 93.520 0.10 . 263 18 18 U C6 C 141.100 0.10 . 264 19 19 G H1 H 12.340 0.02 . 265 19 19 G H1' H 5.659 0.02 . 266 19 19 G H2' H 4.227 0.02 . 267 19 19 G H3' H 4.584 0.02 . 268 19 19 G H4' H 4.349 0.02 . 269 19 19 G H5' H 4.402 0.02 . 270 19 19 G H5'' H 4.079 0.02 . 271 19 19 G H8 H 7.631 0.02 . 272 19 19 G C1' C 92.010 0.10 . 273 19 19 G C2' C 76.240 0.10 . 274 19 19 G C3' C 72.930 0.10 . 275 19 19 G C4' C 82.040 0.10 . 276 19 19 G C5' C 66.210 0.10 . 277 19 19 G C8 C 136.900 0.10 . 278 20 20 A H1' H 5.658 0.02 . 279 20 20 A H2 H 7.529 0.02 . 280 20 20 A H2' H 4.672 0.02 . 281 20 20 A H3' H 4.114 0.02 . 282 20 20 A H4' H 4.552 0.02 . 283 20 20 A H5' H 4.245 0.02 . 284 20 20 A H5'' H 4.373 0.02 . 285 20 20 A H8 H 8.088 0.02 . 286 20 20 A C1' C 91.940 0.10 . 287 20 20 A C2 C 154.900 0.10 . 288 20 20 A C2' C 76.030 0.10 . 289 20 20 A C4' C 84.330 0.10 . 290 20 20 A C5' C 67.300 0.10 . 291 21 21 A H1' H 6.013 0.02 . 292 21 21 A H2 H 8.139 0.02 . 293 21 21 A H2' H 4.662 0.02 . 294 21 21 A H3' H 4.781 0.02 . 295 21 21 A H8 H 7.989 0.02 . 296 21 21 A C1' C 90.890 0.10 . 297 21 21 A C2 C 155.200 0.10 . 298 21 21 A C2' C 76.160 0.10 . 299 21 21 A C3' C 76.220 0.10 . 300 22 22 G H1' H 5.930 0.02 . 301 22 22 G H2' H 4.864 0.02 . 302 22 22 G H3' H 4.525 0.02 . 303 22 22 G H5' H 4.470 0.02 . 304 22 22 G H5'' H 4.184 0.02 . 305 22 22 G C1' C 90.770 0.10 . 306 22 22 G C4' C 82.780 0.10 . 307 22 22 G C5' C 65.510 0.10 . 308 23 23 U H1' H 5.395 0.02 . 309 23 23 U H2' H 4.239 0.02 . 310 23 23 U H3 H 9.882 0.02 . 311 23 23 U H3' H 4.237 0.02 . 312 23 23 U H4' H 4.361 0.02 . 313 23 23 U H5 H 4.978 0.02 . 314 23 23 U H5' H 4.464 0.02 . 315 23 23 U H5'' H 4.070 0.02 . 316 23 23 U H6 H 7.499 0.02 . 317 23 23 U C1' C 94.380 0.10 . 318 23 23 U C2' C 75.310 0.10 . 319 23 23 U C3' C 71.760 0.10 . 320 23 23 U C4' C 82.020 0.10 . 321 23 23 U C5' C 63.900 0.10 . 322 23 23 U C6 C 142.000 0.10 . 323 24 24 C H1' H 5.660 0.02 . 324 24 24 C H5 H 5.816 0.02 . 325 24 24 C H6 H 8.046 0.02 . 326 24 24 C H41 H 8.282 0.02 . 327 24 24 C H42 H 7.315 0.02 . 328 24 24 C C1' C 92.960 0.10 . 329 24 24 C C5 C 98.470 0.10 . 330 24 24 C C6 C 141.800 0.10 . 331 25 25 G H1 H 12.690 0.02 . 332 25 25 G H1' H 5.683 0.02 . 333 25 25 G H2' H 4.534 0.02 . 334 25 25 G H3' H 4.442 0.02 . 335 25 25 G H4' H 4.465 0.02 . 336 25 25 G H5' H 4.368 0.02 . 337 25 25 G H5'' H 4.128 0.02 . 338 25 25 G H8 H 7.550 0.02 . 339 25 25 G C1' C 93.120 0.10 . 340 25 25 G C2' C 75.260 0.10 . 341 25 25 G C3' C 73.470 0.10 . 342 25 25 G C4' C 82.140 0.10 . 343 25 25 G C5' C 66.690 0.10 . 344 25 25 G C8 C 136.200 0.10 . 345 26 26 C H1' H 5.501 0.02 . 346 26 26 C H2' H 4.226 0.02 . 347 26 26 C H3' H 4.399 0.02 . 348 26 26 C H5 H 5.181 0.02 . 349 26 26 C H5' H 4.029 0.02 . 350 26 26 C H6 H 7.674 0.02 . 351 26 26 C H41 H 8.468 0.02 . 352 26 26 C H42 H 6.872 0.02 . 353 26 26 C C1' C 94.160 0.10 . 354 26 26 C C2' C 75.620 0.10 . 355 26 26 C C3' C 71.930 0.10 . 356 26 26 C C6 C 141.800 0.10 . 357 27 27 C H1' H 5.707 0.02 . 358 27 27 C H2' H 3.958 0.02 . 359 27 27 C H3' H 4.119 0.02 . 360 27 27 C H4' H 4.114 0.02 . 361 27 27 C H5 H 5.463 0.02 . 362 27 27 C H5' H 4.437 0.02 . 363 27 27 C H5'' H 3.987 0.02 . 364 27 27 C H6 H 7.614 0.02 . 365 27 27 C H41 H 8.321 0.02 . 366 27 27 C H42 H 6.940 0.02 . 367 27 27 C C1' C 93.020 0.10 . 368 27 27 C C2' C 77.540 0.10 . 369 27 27 C C3' C 69.660 0.10 . 370 27 27 C C4' C 83.370 0.10 . 371 27 27 C C5 C 98.350 0.10 . 372 27 27 C C5' C 64.990 0.10 . 373 27 27 C C6 C 141.300 0.10 . stop_ save_