data_15857 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the d3'-hairpin including EBS1 together with IBS1 of the group II intron Sc.ai5(gamma) ; _BMRB_accession_number 15857 _BMRB_flat_file_name bmr15857.str _Entry_type original _Submission_date 2008-07-04 _Accession_date 2008-07-04 _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 Kruschel Daniela . . 2 Sigel Roland 'K. O.' . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 306 "13C chemical shifts" 77 "15N chemical shifts" 13 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15856 'NMR data related to NMR solution structure of the d3'-hairpin including EBS1 of the group II intron Sc.ai5(gamma)' 15858 'NMR data related to NMR solution structure of the exon/intron binding site 1 (EBS1/IBS1) of the group II intron Sc.ai5(gamma)' 15859 'NMR data related to NMR solution structure of the d3'-stem closed by a GAAA tetraloop of the group II intron Sc.ai5(gamma)' 5962 'NMR data related to solution structure of domain 5 from the ai5(gamma) group II intron' 6756 'NMR data related to solution structure of domain 6 from the ai5(gamma)group II intron' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 5'-splice site of a group II intron ribozyme' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kruschel Daniela . . 2 Sigel Roland 'K. O.' . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 29-MER _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (29-MER)' $RNA_(29-MER) 'RNA (7-MER)' $RNA_(7-MER) 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_(29-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(29-MER) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; GGAGUAUGUAUUGGCACUGA GCAUACUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 U 6 A 7 U 8 G 9 U 10 A 11 U 12 U 13 G 14 G 15 C 16 A 17 C 18 U 19 G 20 A 21 G 22 C 23 A 24 U 25 A 26 C 27 U 28 C 29 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_(7-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(7-MER) _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 7 _Mol_residue_sequence CAGUGUC loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 59 C 2 60 A 3 61 G 4 62 U 5 63 G 6 64 U 7 65 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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_(29-MER) 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $RNA_(7-MER) '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 _Details $RNA_(29-MER) 'in vitro transcription' . . . . . 'The sequence was synthesized in vitro using T7 polymerase and synthetic DNA oligonucleotides.' $RNA_(7-MER) '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(29-MER) 0.5-0.9 mM 0.5 0.9 'natural abundance' $RNA_(7-MER) 0.5-0.9 mM 0.5 0.9 'natural abundance' 'potassium chloride' 110 mM . . 'natural abundance' EDTA 10 uM . . 'natural abundance' MgCl2 0-10 mM 0 10 'natural abundance' D2O 100 % . . '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(29-MER) 0.5-0.9 mM 0.5 0.9 'natural abundance' $RNA_(7-MER) 0.5-0.9 mM 0.5 0.9 'natural abundance' 'potassium chloride' 110 mM . . 'natural abundance' EDTA 10 uM . . 'natural abundance' MgCl2 0-8 mM 0 8 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.6 mM '[selectively deuterated at 3',4',5',5'',5]' $RNA_(7-MER) 0.6 mM 'natural abundance' 'potassium chloride' 110 mM 'natural abundance' EDTA 10 uM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.5 mM '[U-100% 13C; U-100% 15N]' $RNA_(7-MER) 0.5 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' EDTA 10 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.5 mM '[U-100% 13C; U-100% 15N]' $RNA_(7-MER) 0.5 mM 'natural abundance' 'potassium chloride' 50 uM 'natural abundance' EDTA 10 uM 'natural abundance' 'Pf1 phage' 25.6 mg/ml 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '1.3, 2.0, 2.1' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.16 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with a CRYO TXI (1H; 13C; 15N) with an actively shielded z-gradient coil' 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_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_JNN_HNN-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D JNN HNN-COSY' _Sample_label $sample_4 save_ save_3D_X_filtered_NOESY-15NHSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D X filtered NOESY-15NHSQC' _Sample_label $sample_4 save_ save_2D_X_filtered_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D X filtered NOESY' _Sample_label $sample_4 save_ save_2D_X_filtered_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D X filtered TOCSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 288 . K pD 6.8 . pH pressure 1 . atm 'ionic strength' 115 5 mM stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pD 6.8 . pH pressure 1 . atm 'ionic strength' 115 5 mM stop_ save_ save_sample_conditions_6 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pD 6.8 . pH pressure 1 . atm 'ionic strength' 115 5 mM stop_ save_ save_sample_conditions_7 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pD 6.8 . pH pressure 1 . atm 'ionic strength' 1105 5 mM stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 278 . K pH 6.65 0.15 pH pressure 1 . atm 'ionic strength' 114 4 mM stop_ save_ save_sample_conditions_8 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 6.65 0.15 pH pressure 1 . atm 'ionic strength' 114 4 mM stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pD 6.6 . pH pressure 1 . atm 'ionic strength' 110 . mM stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 278 . K pH 6.6 . pH pressure 1 . atm 'ionic strength' 10 . 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 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (29-MER)' _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 12.592 0.005 1 2 1 1 G H1' H 5.716 0.005 1 3 1 1 G H2' H 4.828 0.005 1 4 1 1 G H3' H 4.598 0.005 1 5 1 1 G H4' H 4.450 0.005 1 6 1 1 G H5' H 4.172 0.005 1 7 1 1 G H5'' H 4.060 0.005 1 8 1 1 G H8 H 8.037 0.005 1 9 1 1 G C1' C 89.96 0.05 1 10 1 1 G C8 C 136.25 0.05 1 11 1 1 G N1 N 146.91 0.05 1 12 2 2 G H1 H 12.227 0.005 1 13 2 2 G H1' H 5.804 0.005 1 14 2 2 G H2' H 4.581 0.005 1 15 2 2 G H3' H 4.390 0.005 1 16 2 2 G H4' H 4.441 0.005 1 17 2 2 G H5' H 4.131 0.005 1 18 2 2 G H5'' H 4.013 0.005 1 19 2 2 G H8 H 7.415 0.005 1 20 2 2 G H21 H 7.972 0.005 1 21 2 2 G H22 H 5.830 0.005 1 22 2 2 G C1' C 90.27 0.05 1 23 2 2 G C8 C 134.14 0.05 1 24 2 2 G N1 N 146.6 0.05 1 25 3 3 A H1' H 5.892 0.005 1 26 3 3 A H2 H 7.397 0.005 1 27 3 3 A H2' H 4.640 0.005 1 28 3 3 A H3' H 4.523 0.005 1 29 3 3 A H4' H 4.434 0.005 1 30 3 3 A H5' H 4.029 0.005 1 31 3 3 A H5'' H 3.956 0.005 1 32 3 3 A H8 H 7.653 0.005 1 33 3 3 A H61 H 8.181 0.005 1 34 3 3 A H62 H 6.791 0.005 1 35 3 3 A C1' C 89.45 0.05 1 36 3 3 A C2 C 150.52 0.05 1 37 3 3 A C8 C 136.51 0.05 1 38 4 4 G H1 H 13.160 0.005 1 39 4 4 G H1' H 5.459 0.005 1 40 4 4 G H2' H 4.305 0.005 1 41 4 4 G H3' H 4.234 0.005 1 42 4 4 G H4' H 4.366 0.005 1 43 4 4 G H5' H 4.247 0.005 1 44 4 4 G H5'' H 3.936 0.005 1 45 4 4 G H8 H 6.968 0.005 1 46 4 4 G H21 H 7.644 0.005 1 47 4 4 G H22 H 6.241 0.005 1 48 4 4 G C1' C 90.24 0.05 1 49 4 4 G C8 C 133.09 0.05 1 50 4 4 G N1 N 147.75 0.05 1 51 5 5 U H1' H 5.411 0.005 1 52 5 5 U H2' H 4.489 0.005 1 53 5 5 U H3 H 13.308 0.005 1 54 5 5 U H3' H 4.434 0.005 1 55 5 5 U H5 H 4.979 0.005 1 56 5 5 U H6 H 7.572 0.005 1 57 5 5 U C5 C 100.27 0.05 1 58 5 5 U C6 C 139.32 0.05 1 59 5 5 U N3 N 161.49 0.05 1 60 6 6 A H1' H 5.888 0.005 1 61 6 6 A H2 H 6.927 0.005 1 62 6 6 A H2' H 4.387 0.005 1 63 6 6 A H3' H 4.529 0.005 1 64 6 6 A H4' H 4.344 0.005 1 65 6 6 A H5' H 4.143 0.005 1 66 6 6 A H5'' H 4.063 0.005 1 67 6 6 A H8 H 8.022 0.005 1 68 6 6 A H61 H 7.681 0.005 1 69 6 6 A H62 H 6.276 0.005 1 70 6 6 A C1' C 90.09 0.05 1 71 6 6 A C2 C 150.3 0.05 1 72 6 6 A C8 C 136.07 0.05 1 73 7 7 U H1' H 5.301 0.005 1 74 7 7 U H2' H 4.438 0.005 1 75 7 7 U H3 H 13.158 0.005 1 76 7 7 U H3' H 4.343 0.005 1 77 7 7 U H4' H 4.535 0.005 1 78 7 7 U H5 H 4.916 0.005 1 79 7 7 U H5'' H 3.784 0.005 1 80 7 7 U H6 H 7.468 0.005 1 81 7 7 U C1' C 90.31 0.05 1 82 7 7 U C5 C 100.25 0.05 1 83 7 7 U C6 C 138.23 0.05 1 84 7 7 U N3 N 161.49 0.05 1 85 8 8 G H1 H 12.581 0.005 1 86 8 8 G H1' H 5.598 0.005 1 87 8 8 G H2' H 4.430 0.005 1 88 8 8 G H3' H 4.274 0.005 1 89 8 8 G H4' H 4.348 0.005 1 90 8 8 G H5'' H 3.990 0.005 1 91 8 8 G H8 H 7.431 0.005 1 92 8 8 G H21 H 7.634 0.005 1 93 8 8 G H22 H 5.754 0.005 1 94 8 8 G C1' C 90.46 0.05 1 95 8 8 G C8 C 133.19 0.05 1 96 8 8 G N1 N 147.34 0.05 1 97 9 9 U H1' H 5.361 0.005 1 98 9 9 U H2' H 3.731 0.005 1 99 9 9 U H3 H 11.752 0.005 1 100 9 9 U H3' H 4.437 0.005 1 101 9 9 U H5 H 5.234 0.005 1 102 9 9 U H6 H 7.486 0.005 1 103 9 9 U C1' C 90.44 0.05 1 104 9 9 U C6 C 134.55 0.05 1 105 9 9 U N3 N 157.76 0.05 1 106 10 10 A H1' H 5.900 0.005 1 107 10 10 A H2 H 7.696 0.005 1 108 10 10 A H2' H 4.586 0.005 1 109 10 10 A H3' H 4.648 0.005 1 110 10 10 A H4' H 4.655 0.005 1 111 10 10 A H5' H 4.233 0.005 1 112 10 10 A H5'' H 4.047 0.005 1 113 10 10 A H8 H 8.247 0.005 1 114 10 10 A H61 H 7.889 0.005 1 115 10 10 A H62 H 5.242 0.005 1 116 10 10 A C1' C 87 0.05 1 117 10 10 A C2 C 152.55 0.05 1 118 10 10 A C8 C 138.71 0.05 1 119 11 11 U H1' H 5.837 0.005 1 120 11 11 U H2' H 4.251 0.005 1 121 11 11 U H3' H 4.584 0.005 1 122 11 11 U H4' H 4.367 0.005 1 123 11 11 U H5 H 5.634 0.005 1 124 11 11 U H5' H 4.058 0.005 1 125 11 11 U H5'' H 4.015 0.005 1 126 11 11 U H6 H 7.662 0.005 1 127 11 11 U C1' C 88.07 0.05 1 128 11 11 U C5 C 102.39 0.05 1 129 11 11 U C6 C 140.55 0.05 1 130 12 12 U H1' H 5.877 0.005 1 131 12 12 U H2' H 4.403 0.005 1 132 12 12 U H3' H 4.369 0.005 1 133 12 12 U H4' H 4.115 0.005 1 134 12 12 U H5 H 5.823 0.005 1 135 12 12 U H5'' H 3.784 0.005 1 136 12 12 U H6 H 7.702 0.005 1 137 12 12 U C1' C 90.23 0.05 1 138 12 12 U C5 C 102.57 0.05 1 139 12 12 U C6 C 141.18 0.05 1 140 13 13 G H1 H 12.121 0.005 1 141 13 13 G H1' H 5.666 0.005 1 142 13 13 G H2' H 4.678 0.005 1 143 13 13 G H3' H 4.390 0.005 1 144 13 13 G H8 H 7.937 0.005 1 145 13 13 G C1' C 90.02 0.05 1 146 13 13 G C8 C 137.78 0.05 1 147 14 14 G H1 H 11.460 0.005 1 148 14 14 G H1' H 5.781 0.005 1 149 14 14 G H2' H 4.532 0.005 1 150 14 14 G H3' H 4.413 0.005 1 151 14 14 G H8 H 7.446 0.005 1 152 14 14 G H21 H 8.135 0.005 1 153 14 14 G H22 H 6.087 0.005 1 154 14 14 G C1' C 90.14 0.05 1 155 14 14 G C8 C 138.4 0.05 1 156 14 14 G N1 N 145.08 0.05 1 157 15 15 C H1' H 5.382 0.005 1 158 15 15 C H2' H 4.215 0.005 1 159 15 15 C H3' H 4.526 0.005 1 160 15 15 C H4' H 4.334 0.005 1 161 15 15 C H5 H 5.422 0.005 1 162 15 15 C H5' H 4.048 0.005 1 163 15 15 C H5'' H 4.027 0.005 1 164 15 15 C H6 H 7.643 0.005 1 165 15 15 C H41 H 8.139 0.005 1 166 15 15 C H42 H 6.769 0.005 1 167 15 15 C C1' C 90.96 0.05 1 168 15 15 C C5 C 95.22 0.05 1 169 15 15 C C6 C 138.76 0.05 1 170 16 16 A H1' H 5.832 0.005 1 171 16 16 A H2 H 7.314 0.005 1 172 16 16 A H2' H 4.385 0.005 1 173 16 16 A H3' H 4.244 0.005 1 174 16 16 A H4' H 4.431 0.005 1 175 16 16 A H5' H 4.042 0.005 1 176 16 16 A H5'' H 3.928 0.005 1 177 16 16 A H8 H 7.882 0.005 1 178 16 16 A C1' C 90.14 0.05 1 179 16 16 A C2 C 150.72 0.05 1 180 16 16 A C8 C 136.51 0.05 1 181 17 17 C H1' H 5.262 0.005 1 182 17 17 C H2' H 4.077 0.005 1 183 17 17 C H3' H 4.601 0.005 1 184 17 17 C H4' H 4.272 0.005 1 185 17 17 C H5 H 5.123 0.005 1 186 17 17 C H5'' H 3.950 0.005 1 187 17 17 C H6 H 7.375 0.005 1 188 17 17 C H41 H 8.128 0.005 1 189 17 17 C H42 H 6.725 0.005 1 190 17 17 C C1' C 90.76 0.05 1 191 17 17 C C5 C 94.64 0.05 1 192 17 17 C C6 C 137.99 0.05 1 193 18 18 U H1' H 5.430 0.005 1 194 18 18 U H2' H 4.546 0.005 1 195 18 18 U H3 H 13.381 0.005 1 196 18 18 U H3' H 4.419 0.005 1 197 18 18 U H4' H 4.271 0.005 1 198 18 18 U H5 H 5.222 0.005 1 199 18 18 U H6 H 7.658 0.005 1 200 18 18 U C1' C 90.96 0.05 1 201 18 18 U C5 C 101.07 0.05 1 202 18 18 U C6 C 141.14 0.05 1 203 18 18 U N3 N 161.11 0.05 1 204 19 19 G H1 H 11.688 0.005 1 205 19 19 G H1' H 5.537 0.005 1 206 19 19 G H2' H 4.438 0.005 1 207 19 19 G H3' H 4.348 0.005 1 208 19 19 G H4' H 4.387 0.005 1 209 19 19 G H5' H 4.033 0.005 1 210 19 19 G H5'' H 3.984 0.005 1 211 19 19 G H8 H 7.477 0.005 1 212 19 19 G H21 H 7.534 0.005 1 213 19 19 G H22 H 5.732 0.005 1 214 19 19 G C1' C 90 0.05 1 215 19 19 G C8 C 133.45 0.05 1 216 19 19 G N1 N 146.29 0.05 1 217 20 20 A H1' H 5.799 0.005 1 218 20 20 A H2 H 7.567 0.005 1 219 20 20 A H2' H 4.513 0.005 1 220 20 20 A H3' H 4.401 0.005 1 221 20 20 A H4' H 4.391 0.005 1 222 20 20 A H5'' H 4.011 0.005 1 223 20 20 A H8 H 7.590 0.005 1 224 20 20 A H61 H 7.472 0.005 1 225 20 20 A H62 H 5.375 0.005 1 226 20 20 A C1' C 90.16 0.05 1 227 20 20 A C2 C 151.47 0.05 1 228 20 20 A C8 C 136.54 0.05 1 229 21 21 G H1 H 10.741 0.005 1 230 21 21 G H1' H 5.415 0.005 1 231 21 21 G H2' H 4.447 0.005 1 232 21 21 G H3' H 4.207 0.005 1 233 21 21 G H4' H 4.351 0.005 1 234 21 21 G H5' H 4.340 0.005 1 235 21 21 G H5'' H 3.968 0.005 1 236 21 21 G H8 H 7.127 0.005 1 237 21 21 G H21 H 7.631 0.005 1 238 21 21 G H22 H 5.841 0.005 1 239 21 21 G C1' C 90.85 0.05 1 240 21 21 G C8 C 133.7 0.05 1 241 21 21 G N1 N 144.6 0.05 1 242 22 22 C H1' H 5.253 0.005 1 243 22 22 C H2' H 4.254 0.005 1 244 22 22 C H3' H 4.440 0.005 1 245 22 22 C H4' H 4.424 0.005 1 246 22 22 C H5 H 5.251 0.005 1 247 22 22 C H6 H 7.566 0.005 1 248 22 22 C H41 H 8.079 0.005 1 249 22 22 C H42 H 6.677 0.005 1 250 22 22 C C1' C 90.98 0.05 1 251 22 22 C C5 C 94.86 0.05 1 252 22 22 C C6 C 138.74 0.05 1 253 23 23 A H1' H 5.807 0.005 1 254 23 23 A H2 H 7.185 0.005 1 255 23 23 A H2' H 4.356 0.005 1 256 23 23 A H3' H 4.600 0.005 1 257 23 23 A H4' H 4.385 0.005 1 258 23 23 A H5'' H 4.027 0.005 1 259 23 23 A H8 H 7.885 0.005 1 260 23 23 A H61 H 7.697 0.005 1 261 23 23 A H62 H 6.265 0.005 1 262 23 23 A C1' C 90.08 0.05 1 263 23 23 A C2 C 150.39 0.05 1 264 23 23 A C8 C 136.68 0.05 1 265 24 24 U H1' H 5.350 0.005 1 266 24 24 U H2' H 4.271 0.005 1 267 24 24 U H3 H 13.018 0.005 1 268 24 24 U H3' H 4.352 0.005 1 269 24 24 U H4' H 4.587 0.005 1 270 24 24 U H5 H 4.972 0.005 1 271 24 24 U H6 H 7.564 0.005 1 272 24 24 U C1' C 90.35 0.05 1 273 24 24 U C5 C 100.03 0.05 1 274 24 24 U C6 C 140.07 0.05 1 275 24 24 U N3 N 161.07 0.05 1 276 25 25 A H1' H 5.889 0.005 1 277 25 25 A H2 H 7.028 0.005 1 278 25 25 A H2' H 4.402 0.005 1 279 25 25 A H3' H 4.570 0.005 1 280 25 25 A H8 H 8.040 0.005 1 281 25 25 A H61 H 7.715 0.005 1 282 25 25 A H62 H 6.253 0.005 1 283 25 25 A C1' C 87.2 0.05 1 284 25 25 A C2 C 150.62 0.05 1 285 25 25 A C8 C 136.96 0.05 1 286 26 26 C H1' H 5.266 0.005 1 287 26 26 C H2' H 4.069 0.005 1 288 26 26 C H3' H 4.268 0.005 1 289 26 26 C H4' H 4.291 0.005 1 290 26 26 C H5 H 5.095 0.005 1 291 26 26 C H5'' H 3.964 0.005 1 292 26 26 C H6 H 7.454 0.005 1 293 26 26 C H41 H 8.165 0.005 1 294 26 26 C H42 H 6.783 0.005 1 295 26 26 C C1' C 90.9 0.05 1 296 26 26 C C5 C 94.42 0.05 1 297 26 26 C C6 C 137.89 0.05 1 298 27 27 U H1' H 5.428 0.005 1 299 27 27 U H2' H 4.385 0.005 1 300 27 27 U H3 H 13.903 0.005 1 301 27 27 U H3' H 4.419 0.005 1 302 27 27 U H4' H 4.312 0.005 1 303 27 27 U H5 H 5.207 0.005 1 304 27 27 U H5'' H 3.971 0.005 1 305 27 27 U H6 H 7.806 0.005 1 306 27 27 U C1' C 90.49 0.005 1 307 27 27 U C5 C 100.48 0.05 1 308 27 27 U C6 C 139.67 0.05 1 309 27 27 U N3 N 162.4 0.05 1 310 28 28 C H1' H 5.485 0.005 1 311 28 28 C H2' H 4.108 0.005 1 312 28 28 C H3' H 4.355 0.005 1 313 28 28 C H4' H 4.315 0.005 1 314 28 28 C H5 H 5.529 0.005 1 315 28 28 C H5'' H 3.962 0.005 1 316 28 28 C H6 H 7.810 0.005 1 317 28 28 C H41 H 8.192 0.005 1 318 28 28 C H42 H 6.792 0.005 1 319 28 28 C C1' C 91.32 0.05 1 320 28 28 C C5 C 94.61 0.05 1 321 28 28 C C6 C 138.88 0.05 1 322 29 29 C H1' H 5.611 0.005 1 323 29 29 C H2' H 3.881 0.005 1 324 29 29 C H3' H 3.910 0.005 1 325 29 29 C H4' H 4.061 0.005 1 326 29 29 C H5 H 5.367 0.005 1 327 29 29 C H6 H 7.555 0.005 1 328 29 29 C H41 H 8.177 0.005 1 329 29 29 C H42 H 6.747 0.005 1 330 29 29 C C1' C 90.09 0.05 1 331 29 29 C C5 C 95.3 0.05 1 332 29 29 C C6 C 138.22 0.05 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (7-MER)' _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 59 1 C H1' H 5.299 0.005 1 2 59 1 C H2' H 4.431 0.005 1 3 59 1 C H3' H 4.517 0.005 1 4 59 1 C H4' H 4.249 0.005 1 5 59 1 C H5 H 5.052 0.005 1 6 59 1 C H5' H 4.006 0.005 1 7 59 1 C H5'' H 3.784 0.005 1 8 59 1 C H6 H 7.414 0.005 1 9 59 1 C H41 H 7.885 0.005 1 10 59 1 C H42 H 6.583 0.005 1 11 60 2 A H1' H 5.776 0.005 1 12 60 2 A H2 H 6.935 0.005 1 13 60 2 A H2' H 4.599 0.005 1 14 60 2 A H3' H 4.654 0.005 1 15 60 2 A H4' H 4.503 0.005 1 16 60 2 A H5' H 4.478 0.005 1 17 60 2 A H5'' H 4.099 0.005 1 18 60 2 A H8 H 7.940 0.005 1 19 60 2 A H61 H 8.124 0.005 1 20 60 2 A H62 H 6.732 0.005 1 21 61 3 G H1 H 13.148 0.005 1 22 61 3 G H1' H 5.548 0.005 1 23 61 3 G H2' H 4.430 0.005 1 24 61 3 G H3' H 4.409 0.005 1 25 61 3 G H4' H 4.191 0.005 1 26 61 3 G H5'' H 4.015 0.005 1 27 61 3 G H8 H 7.272 0.005 1 28 61 3 G H21 H 8.141 0.005 1 29 61 3 G H22 H 6.020 0.005 1 30 62 4 U H1' H 5.415 0.005 1 31 62 4 U H2' H 4.500 0.005 1 32 62 4 U H3 H 13.315 0.005 1 33 62 4 U H3' H 4.388 0.005 1 34 62 4 U H4' H 4.192 0.005 1 35 62 4 U H5 H 4.913 0.005 1 36 62 4 U H5'' H 3.986 0.005 1 37 62 4 U H6 H 7.562 0.005 1 38 63 5 G H1 H 12.666 0.005 1 39 63 5 G H1' H 5.665 0.005 1 40 63 5 G H2' H 4.471 0.005 1 41 63 5 G H3' H 4.303 0.005 1 42 63 5 G H4' H 4.374 0.005 1 43 63 5 G H5' H 4.010 0.005 1 44 63 5 G H5'' H 3.963 0.005 1 45 63 5 G H8 H 7.428 0.005 1 46 63 5 G H21 H 7.651 0.005 1 47 63 5 G H22 H 5.762 0.005 1 48 64 6 U H1' H 5.287 0.005 1 49 64 6 U H2' H 3.975 0.005 1 50 64 6 U H3 H 12.121 0.005 1 51 64 6 U H3' H 4.382 0.005 1 52 64 6 U H4' H 4.268 0.005 1 53 64 6 U H5 H 5.321 0.005 1 54 64 6 U H6 H 7.659 0.005 1 55 65 7 C H1' H 5.764 0.005 1 56 65 7 C H2' H 3.868 0.005 1 57 65 7 C H3' H 4.008 0.005 1 58 65 7 C H4' H 4.115 0.005 1 59 65 7 C H5 H 5.537 0.005 1 60 65 7 C H5' H 4.399 0.005 1 61 65 7 C H5'' H 3.922 0.005 1 62 65 7 C H6 H 7.640 0.005 1 63 65 7 C H41 H 8.302 0.005 1 64 65 7 C H42 H 6.759 0.005 1 stop_ save_