data_27769 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GA-branchsite-containing RNA duplex with unmodified U2 snRNA site ; _BMRB_accession_number 27769 _BMRB_flat_file_name bmr27769.str _Entry_type original _Submission_date 2019-01-30 _Accession_date 2019-01-30 _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 Kennedy Scott D. . 2 Kielkopf Clara L. . 3 Bauer William J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 182 "13C chemical shifts" 36 "31P chemical shifts" 19 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-08 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27770 'GA-branchsite-containing RNA duplex with pseudouridine-modified U2 snRNA site' stop_ _Original_release_date 2019-02-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic stacking of an expected branch point adenosine in duplexes containing pseudouridine-modified or unmodified U2 snRNA sites ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30797552 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kennedy Scott D. . 2 Bauer William J. . 3 Wang Wenhua . . 4 Kielkopf Clara L. . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 511 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 416 _Page_last 421 _Year 2019 _Details . loop_ _Keyword 'RNA structure' 'U2 snRNA' 'branch point sequence' 'pre-mRNA splicing' pseudouridine stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Branchpoint duplex with pseudoU U2 snRNA site' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA with branchpoint sequence' $RNA_with_branchpoint_sequence 'RNA with unmodified U2 snRNA site' $RNA_with_unmodified_U2_snRNA_site 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_with_branchpoint_sequence _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_with_branchpoint_sequence _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function intron 'pre-mRNA splicing' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence ; GCUACUGACGA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 C 3 3 U 4 4 A 5 5 C 6 6 U 7 7 G 8 8 A 9 9 C 10 10 G 11 11 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_with_unmodified_U2_snRNA_site _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_with_unmodified_U2_snRNA_site _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'U2 small nuclear RNA' 'pre-mRNA splicing' stop_ _Details . _Residue_count 10 _Mol_residue_sequence ; CGUAGUAGCA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 33 C 2 34 G 3 35 U 4 36 A 5 37 G 6 38 U 7 39 A 8 40 G 9 41 C 10 42 A 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_with_branchpoint_sequence 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_type _Vector_name $RNA_with_branchpoint_sequence 'chemical synthesis' . . . . NA NA 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_with_branchpoint_sequence 1 mM 'natural abundance' $RNA_with_unmodified_U2_snRNA_site 1 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' EDTA 0.25 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_with_branchpoint_sequence 1 mM 'natural abundance' $RNA_with_unmodified_U2_snRNA_site 1 mM 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' EDTA 0.25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_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_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C 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_2 save_ save_2D_1H-31P_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-31P COSY' _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' 0.017 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.017 . M pH 6.8 . pH pressure 1 . mbar temperature 273 . 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 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-31P COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA with branchpoint sequence' _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 5.89 0.01 1 2 1 1 G H2' H 4.82 0.01 1 3 1 1 G H3' H 4.57 0.01 1 4 1 1 G H4' H 4.45 0.01 1 5 1 1 G H5' H 4.12 0.01 2 6 1 1 G H5'' H 3.96 0.01 2 7 1 1 G H8 H 8.14 0.01 1 8 1 1 G C8 C 138.64 0.2 1 9 2 2 C H1' H 5.58 0.01 1 10 2 2 C H2' H 4.45 0.01 1 11 2 2 C H3' H 4.54 0.01 1 12 2 2 C H4' H 4.49 0.01 1 13 2 2 C H5 H 5.26 0.01 1 14 2 2 C H5'' H 4.17 0.01 2 15 2 2 C H6 H 7.85 0.01 1 16 2 2 C C5 C 96.83 0.2 1 17 2 2 C C6 C 141.75 0.2 1 18 2 2 C P P -4.24 0.03 1 19 3 3 U H1' H 5.53 0.01 1 20 3 3 U H2' H 4.6 0.01 1 21 3 3 U H3' H 4.64 0.01 1 22 3 3 U H4' H 4.46 0.01 1 23 3 3 U H5 H 5.51 0.01 1 24 3 3 U H5'' H 4.15 0.01 2 25 3 3 U H6 H 7.9 0.01 1 26 3 3 U C5 C 103.6 0.2 1 27 3 3 U C6 C 141.76 0.2 1 28 3 3 U P P -3.94 0.03 1 29 4 4 A H1' H 5.97 0.01 1 30 4 4 A H2 H 7.04 0.01 1 31 4 4 A H2' H 4.56 0.01 1 32 4 4 A H3' H 4.65 0.01 1 33 4 4 A H4' H 4.53 0.01 1 34 4 4 A H5'' H 4.19 0.01 2 35 4 4 A H8 H 8.17 0.01 1 36 4 4 A C2 C 153.26 0.2 1 37 4 4 A C8 C 139.63 0.2 1 38 4 4 A P P -3.84 0.03 1 39 5 5 C H1' H 5.27 0.01 1 40 5 5 C H2' H 4.05 0.01 1 41 5 5 C H3' H 4.31 0.01 1 42 5 5 C H4' H 4.36 0.01 1 43 5 5 C H5 H 5.23 0.01 1 44 5 5 C H5'' H 4.03 0.01 2 45 5 5 C H6 H 7.43 0.01 1 46 5 5 C C5 C 97.09 0.2 1 47 5 5 C C6 C 140.85 0.2 1 48 5 5 C P P -4.07 0.03 1 49 6 6 U H1' H 5.76 0.01 1 50 6 6 U H2' H 4.28 0.01 1 51 6 6 U H3' H 4.6 0.01 1 52 6 6 U H4' H 4.24 0.01 1 53 6 6 U H5 H 5.31 0.01 1 54 6 6 U H5' H 4.27 0.01 2 55 6 6 U H5'' H 4.01 0.01 2 56 6 6 U H6 H 7.64 0.01 1 57 6 6 U C5 C 104.5 0.2 1 58 6 6 U C6 C 142.44 0.2 1 59 6 6 U P P -4.39 0.03 1 60 7 7 G H1' H 5.84 0.01 1 61 7 7 G H2' H 4.69 0.01 1 62 7 7 G H3' H 5.02 0.01 1 63 7 7 G H4' H 4.48 0.01 1 64 7 7 G H5' H 4.33 0.01 2 65 7 7 G H5'' H 4.19 0.01 2 66 7 7 G H8 H 7.89 0.01 1 67 7 7 G C8 C 140.07 0.2 1 68 7 7 G P P -3.25 0.03 1 69 8 8 A H1' H 5.97 0.01 1 70 8 8 A H2 H 7.62 0.01 1 71 8 8 A H2' H 4.68 0.01 1 72 8 8 A H3' H 4.62 0.01 1 73 8 8 A H4' H 4.58 0.01 1 74 8 8 A H5' H 4.32 0.01 2 75 8 8 A H5'' H 4.42 0.01 2 76 8 8 A H8 H 8.29 0.01 1 77 8 8 A C2 C 153.86 0.2 1 78 8 8 A C8 C 141.18 0.2 1 79 8 8 A P P -3.6 0.03 1 80 9 9 C H1' H 5.49 0.01 1 81 9 9 C H2' H 4.38 0.01 1 82 9 9 C H3' H 4.42 0.01 1 83 9 9 C H4' H 4.43 0.01 1 84 9 9 C H5 H 5.14 0.01 1 85 9 9 C H5'' H 4.15 0.01 2 86 9 9 C H6 H 7.47 0.01 1 87 9 9 C C5 C 97.64 0.2 1 88 9 9 C C6 C 140.9 0.2 1 89 9 9 C P P -3.88 0.03 1 90 10 10 G H1' H 5.69 0.01 1 91 10 10 G H2' H 4.5 0.01 1 92 10 10 G H3' H 4.54 0.01 1 93 10 10 G H4' H 4.41 0.01 1 94 10 10 G H5' H 4.43 0.01 2 95 10 10 G H5'' H 4.1 0.01 2 96 10 10 G H8 H 7.49 0.01 1 97 10 10 G C8 C 136.46 0.2 1 98 10 10 G P P -3.76 0.03 1 99 11 11 A H1' H 5.97 0.01 1 100 11 11 A H2 H 7.86 0.01 1 101 11 11 A H2' H 4.13 0.01 1 102 11 11 A H3' H 4.28 0.01 1 103 11 11 A H4' H 4.26 0.01 1 104 11 11 A H5'' H 4.06 0.01 2 105 11 11 A H8 H 7.87 0.01 1 106 11 11 A C2 C 155.06 0.2 1 107 11 11 A C8 C 140.28 0.2 1 108 11 11 A P P -3.85 0.03 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-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-31P COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA with unmodified U2 snRNA site' _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 33 1 C H1' H 5.65 0.01 1 2 33 1 C H2' H 4.67 0.01 1 3 33 1 C H3' H 4.53 0.01 1 4 33 1 C H4' H 4.38 0.01 1 5 33 1 C H5 H 5.99 0.01 1 6 33 1 C H5' H 4.08 0.01 2 7 33 1 C H5'' H 3.96 0.01 2 8 33 1 C H6 H 8.08 0.01 1 9 33 1 C C5 C 98.86 0.2 1 10 33 1 C C6 C 142.52 0.2 1 11 34 2 G H1' H 5.75 0.01 1 12 34 2 G H2' H 4.57 0.01 1 13 34 2 G H3' H 4.57 0.01 1 14 34 2 G H4' H 4.5 0.01 1 15 34 2 G H5'' H 4.18 0.01 2 16 34 2 G H8 H 7.67 0.01 1 17 34 2 G C8 C 136.48 0.2 1 18 34 2 G P P -3.6 0.03 1 19 35 3 U H1' H 5.51 0.01 1 20 35 3 U H2' H 4.47 0.01 1 21 35 3 U H3' H 4.53 0.01 1 22 35 3 U H4' H 4.44 0.01 1 23 35 3 U H5 H 5.22 0.01 1 24 35 3 U H5' H 4.52 0.01 2 25 35 3 U H5'' H 4.13 0.01 2 26 35 3 U H6 H 7.56 0.01 1 27 35 3 U C5 C 103.4 0.2 1 28 35 3 U C6 C 141.01 0.2 1 29 35 3 U P P -3.52 0.03 1 30 36 4 A H1' H 5.89 0.01 1 31 36 4 A H2 H 7.03 0.01 1 32 36 4 A H2' H 4.74 0.01 1 33 36 4 A H3' H 4.69 0.01 1 34 36 4 A H4' H 4.5 0.01 1 35 36 4 A H8 H 8.22 0.01 1 36 36 4 A C2 C 153.16 0.2 1 37 36 4 A C8 C 140.05 0.2 1 38 36 4 A P P -3.59 0.03 1 39 37 5 G H1' H 5.34 0.01 1 40 37 5 G H2' H 4.3 0.01 1 41 37 5 G H3' H 4.32 0.01 1 42 37 5 G H4' H 4.42 0.01 1 43 37 5 G H5'' H 4.07 0.01 2 44 37 5 G H8 H 7.17 0.01 1 45 37 5 G C8 C 135.81 0.2 1 46 37 5 G P P -3.76 0.03 1 47 38 6 U H1' H 5.48 0.01 1 48 38 6 U H2' H 4.45 0.01 1 49 38 6 U H3' H 4.57 0.01 1 50 38 6 U H4' H 4.39 0.01 1 51 38 6 U H5 H 5.07 0.01 1 52 38 6 U H5' H 4.52 0.01 2 53 38 6 U H5'' H 4.07 0.01 2 54 38 6 U H6 H 7.68 0.01 1 55 38 6 U C5 C 102.8 0.2 1 56 38 6 U C6 C 141.22 0.2 1 57 38 6 U P P -4.45 0.03 1 58 39 7 A H1' H 5.98 0.01 1 59 39 7 A H2 H 6.79 0.01 1 60 39 7 A H2' H 4.62 0.01 1 61 39 7 A H3' H 4.73 0.01 1 62 39 7 A H4' H 4.51 0.01 1 63 39 7 A H5'' H 4.16 0.01 2 64 39 7 A H8 H 8.07 0.01 1 65 39 7 A C2 C 152.66 0.2 1 66 39 7 A C8 C 139.58 0.2 1 67 39 7 A P P -3.71 0.03 1 68 40 8 G H1' H 5.59 0.01 1 69 40 8 G H2' H 4.38 0.01 1 70 40 8 G H3' H 4.39 0.01 1 71 40 8 G H4' H 4.43 0.01 1 72 40 8 G H5' H 4.46 0.01 2 73 40 8 G H5'' H 4.09 0.01 2 74 40 8 G H8 H 7.3 0.01 1 75 40 8 G C8 C 135.67 0.2 1 76 40 8 G P P -3.87 0.03 1 77 41 9 C H1' H 5.42 0.01 1 78 41 9 C H2' H 4.36 0.01 1 79 41 9 C H3' H 4.36 0.01 1 80 41 9 C H4' H 4.38 0.01 1 81 41 9 C H5 H 5.09 0.01 1 82 41 9 C H5' H 4.48 0.01 2 83 41 9 C H5'' H 4.03 0.01 2 84 41 9 C H6 H 7.37 0.01 1 85 41 9 C C5 C 97.4 0.2 1 86 41 9 C C6 C 139.91 0.2 1 87 41 9 C P P -4.13 0.03 1 88 42 10 A H1' H 6.01 0.01 1 89 42 10 A H2 H 7.45 0.01 1 90 42 10 A H2' H 4.05 0.01 1 91 42 10 A H3' H 4.3 0.01 1 92 42 10 A H4' H 4.23 0.01 1 93 42 10 A H5'' H 4.03 0.01 2 94 42 10 A H8 H 8.03 0.01 1 95 42 10 A C2 C 154.46 0.2 1 96 42 10 A C8 C 140.13 0.2 1 97 42 10 A P P -3.72 0.03 1 stop_ save_ save_assigned_chem_shift_list_2_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA with branchpoint sequence' _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 12.71 0.02 1 2 1 1 G H21 H 6.33 0.05 2 3 1 1 G H22 H 8.40 0.05 2 4 2 2 C H41 H 8.62 0.05 2 5 2 2 C H42 H 6.86 0.05 2 6 3 3 U H3 H 13.29 0.02 1 7 4 4 A H61 H 7.87 0.05 2 8 4 4 A H62 H 6.48 0.05 2 9 5 5 C H41 H 8.08 0.05 2 10 5 5 C H42 H 7.13 0.05 2 11 6 6 U H3 H 13.33 0.1 1 12 7 7 G H1 H 10.49 0.1 1 13 9 9 C H41 H 8.08 0.05 2 14 9 9 C H42 H 6.69 0.05 2 15 10 10 G H1 H 12.35 0.02 1 stop_ save_ save_assigned_chem_shift_list_2_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA with unmodified U2 snRNA site' _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 33 1 C H41 H 8.38 0.05 2 2 33 1 C H42 H 6.87 0.05 2 3 34 2 G H1 H 12.90 0.02 1 4 34 2 G H21 H 5.96 0.05 2 5 34 2 G H22 H 8.18 0.05 2 6 35 3 U H3 H 13.38 0.1 1 7 37 5 G H1 H 13.38 0.02 1 8 37 5 G H21 H 6.20 0.05 2 9 37 5 G H22 H 8.40 0.05 2 10 38 6 U H3 H 13.53 0.02 1 11 39 7 A H61 H 7.82 0.05 2 12 39 7 A H62 H 6.35 0.05 2 13 40 8 G H1 H 13.44 0.02 1 14 40 8 G H21 H 6.15 0.05 2 15 40 8 G H22 H 8.52 0.05 2 16 41 9 C H41 H 8.12 0.05 2 17 41 9 C H42 H 6.93 0.05 2 stop_ save_