data_17504 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide ; _BMRB_accession_number 17504 _BMRB_flat_file_name bmr17504.str _Entry_type original _Submission_date 2011-03-03 _Accession_date 2011-03-03 _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 Phan 'Anh Tuan' . . 2 Kuryavyi 'Vitaly V' . . 3 Darnell 'Jennifer C' . . 4 Serganov Alexander . . 5 Majumdar Ananya . . 6 Ilin Serge . . 7 Darnell 'Robert B' . . 8 Patel 'Dinshaw J' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 410 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-08 update BMRB 'update entry citation' 2011-06-07 original author 'orginial release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure-function studies of FMRP RGG peptide recognition of an RNA duplex-quadruplex junction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21642970 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phan 'Anh Tuan' . . 2 Kuryavyi Vitaly . . 3 Darnell Jennifer C. . 4 Serganov Alexander . . 5 Majumdar Ananya . . 6 Ilin Serge . . 7 Raslin Tanya . . 8 Polonskaia Anna . . 9 Chen Cynthia . . 10 Clain David . . 11 Darnell Robert B. . 12 Patel Dinshaw J. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature structural & molecular biology' _Journal_volume 18 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 796 _Page_last 804 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (36-MER)' $RNA_(36-MER) entity_2 $entity_2 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_(36-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(36-MER) _Molecular_mass 11805.102 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GCUGCGGUGUGGAAGGAGUG GCUGGGUUGCGCAGCG ; loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 U 4 G 5 C 6 G 7 G 8 U 9 G 10 U 11 G 12 G 13 A 14 A 15 G 16 G 17 A 18 G 19 U 20 G 21 G 22 C 23 U 24 G 25 G 26 G 27 U 28 U 29 G 30 C 31 G 32 C 33 A 34 G 35 C 36 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1757.934 _Mol_thiol_state . _Details . _Residue_count 17 _Mol_residue_sequence GPRRGDGRRRGGGGRGQ loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 ARG 4 ARG 5 GLY 6 ASP 7 GLY 8 ARG 9 ARG 10 ARG 11 GLY 12 GLY 13 GLY 14 GLY 15 ARG 16 GLY 17 GLN 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_(36-MER) . . . . . . $entity_2 human 9606 Eukaryota Metazoa . . 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_(36-MER) 'enzymatic semisynthesis' . . . . . $entity_2 'recombinant technology' . . . . . 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_(36-MER) 1 mM 'natural abundance' $entity_2 1 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_(36-MER) 0.5 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.5 mM 'natural abundance' $entity_2 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.2-0.5 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.2-0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.5 mM '[U-13C; U-15N]-Gua' $entity_2 0.5 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.2 mM '[U-13C; U-15N]-Ade' $entity_2 0.2 mM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.2 mM '[U-13C; U-15N]-Cyt' $entity_2 0.2 mM 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.2 mM '[U-13C; U-15N]-Ura' $entity_2 0.2 mM 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(36-MER) 0.2 mM 'rG-to-dG and rU-to-dU 2% 15N-labelled' $entity_2 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'K. Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_JR_1 _Saveframe_category NMR_applied_experiment _Experiment_name JR _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_1 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_13C-1H_CTHSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-1H CTHSQC' _Sample_label $sample_2 save_ save_HNH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNH-COSY _Sample_label $sample_2 save_ save_HNN-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY _Sample_label $sample_2 save_ save_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_2 save_ save_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_2 save_ save_13C-edited_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_2 save_ save_15N-edited_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label $sample_2 save_ save_15N-1H_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _Sample_label $sample_3 save_ save_13C-1H_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-1H HSQC' _Sample_label $sample_3 save_ save_HNCA_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_3 save_ save_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_3 save_ save_HNCOCA_18 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_3 save_ save_HNCACB_19 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_3 save_ save_HBHACONH_20 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_3 save_ save_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_3 save_ save_HCCH-COSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_3 save_ save_13C-edited_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_3 save_ save_15N-edited_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label $sample_3 save_ save_HNN-COSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY _Sample_label $sample_4 save_ save_13C-edited_NOESY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_4 save_ save_15N-edited_NOESY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label $sample_4 save_ save_CTHSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name CTHSQC _Sample_label $sample_5 save_ save_HCCH-COSY_29 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_5 save_ save_HCCH-TOCSY_30 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_5 save_ save_13C-edited_NOESY_31 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_5 save_ save_CTHSQC_32 _Saveframe_category NMR_applied_experiment _Experiment_name CTHSQC _Sample_label $sample_6 save_ save_HCCH-COSY_33 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_6 save_ save_HCCH-TOCSY_34 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_6 save_ save_13C-edited_NOESY_35 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_6 save_ save_CTHSQC_36 _Saveframe_category NMR_applied_experiment _Experiment_name CTHSQC _Sample_label $sample_7 save_ save_HCCH-COSY_37 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_7 save_ save_HCCH-TOCSY_38 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_7 save_ save_13C-edited_NOESY_39 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_7 save_ save_CTHSQC_40 _Saveframe_category NMR_applied_experiment _Experiment_name CTHSQC _Sample_label $sample_8 save_ save_HCCH-COSY_41 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_8 save_ save_HCCH-TOCSY_42 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_8 save_ save_13C-edited_NOESY_43 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_8 save_ save_1D_15N-filtered_44 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 15N-filtered' _Sample_label $sample_9 save_ save_2D_NOESY_45 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_9 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 0.050 . 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 water H 1 protons ppm 4.75 internal direct . . . 1.0 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_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label JR 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 entity_2 _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 GLY HA2 H 3.849 . . 2 2 2 PRO HA H 4.532 . 1 3 2 2 PRO HB2 H 2.122 . . 4 2 2 PRO HB3 H 2.018 . . 5 2 2 PRO HG2 H 1.903 . . 6 2 2 PRO HD2 H 3.562 . . 7 2 2 PRO HD3 H 3.408 . . 8 3 3 ARG H H 9.218 . 1 9 3 3 ARG HA H 4.040 . 1 10 3 3 ARG HB2 H 1.692 . . 11 3 3 ARG HB3 H 1.219 . . 12 3 3 ARG HG2 H 1.510 . . 13 3 3 ARG HG3 H 1.413 . . 14 3 3 ARG HD2 H 2.600 . . 15 3 3 ARG HE H 6.931 . 1 16 4 4 ARG H H 7.907 . 1 17 4 4 ARG HA H 4.415 . 1 18 4 4 ARG HB2 H 1.871 . . 19 4 4 ARG HB3 H 1.600 . . 20 4 4 ARG HG2 H 1.402 . . 21 4 4 ARG HG3 H 1.321 . . 22 4 4 ARG HD2 H 3.070 . . 23 4 4 ARG HD3 H 3.030 . . 24 4 4 ARG HE H 7.520 . 1 25 5 5 GLY H H 8.537 . 1 26 5 5 GLY HA2 H 3.888 . . 27 6 6 ASP H H 8.020 . 1 28 6 6 ASP HA H 4.662 . 1 29 6 6 ASP HB2 H 2.858 . . 30 6 6 ASP HB3 H 2.561 . . 31 7 7 GLY H H 7.984 . 1 32 7 7 GLY HA2 H 4.190 . . 33 7 7 GLY HA3 H 3.529 . . 34 8 8 ARG H H 8.669 . 1 35 8 8 ARG HA H 3.937 . 1 36 8 8 ARG HB2 H 1.641 . . 37 8 8 ARG HB3 H 1.413 . . 38 8 8 ARG HG2 H 1.895 . . 39 8 8 ARG HG3 H 1.608 . . 40 8 8 ARG HD2 H 3.011 . . 41 8 8 ARG HD3 H 2.752 . . 42 8 8 ARG HE H 6.524 . 1 43 9 9 ARG H H 8.983 . 1 44 9 9 ARG HA H 4.033 . 1 45 9 9 ARG HB2 H 1.668 . . 46 9 9 ARG HB3 H 1.656 . . 47 9 9 ARG HG2 H 1.590 . . 48 9 9 ARG HG3 H 1.563 . . 49 9 9 ARG HD2 H 3.205 . . 50 9 9 ARG HD3 H 3.175 . . 51 9 9 ARG HE H 7.164 . 1 52 10 10 ARG H H 7.181 . 1 53 10 10 ARG HA H 4.543 . 1 54 10 10 ARG HB2 H 1.727 . . 55 10 10 ARG HB3 H 1.230 . . 56 10 10 ARG HG2 H 1.052 . . 57 10 10 ARG HG3 H 0.656 . . 58 10 10 ARG HD2 H 3.022 . . 59 10 10 ARG HD3 H 2.929 . . 60 10 10 ARG HE H 7.809 . 1 61 10 10 ARG HH21 H 7.994 . . 62 10 10 ARG HH22 H 6.820 . . 63 10 10 ARG HH11 H 5.642 . . 64 11 11 GLY H H 8.171 . 1 65 11 11 GLY HA2 H 4.022 . . 66 11 11 GLY HA3 H 3.026 . . 67 12 12 GLY H H 8.467 . 1 68 12 12 GLY HA2 H 3.431 . . 69 12 12 GLY HA3 H 3.209 . . 70 13 13 GLY H H 8.644 . 1 71 13 13 GLY HA2 H 3.857 . . 72 13 13 GLY HA3 H 3.709 . . 73 14 14 GLY H H 7.936 . 1 74 14 14 GLY HA2 H 4.016 . . 75 14 14 GLY HA3 H 3.133 . . 76 15 15 ARG H H 7.185 . 1 77 15 15 ARG HA H 3.791 . 1 78 15 15 ARG HB2 H 0.937 . . 79 15 15 ARG HB3 H 0.688 . . 80 15 15 ARG HG2 H 0.944 . . 81 15 15 ARG HG3 H 0.479 . . 82 15 15 ARG HD2 H 2.630 . . 83 15 15 ARG HD3 H 1.991 . . 84 15 15 ARG HE H 7.200 . 1 85 15 15 ARG HH21 H 8.109 . . 86 16 16 GLY H H 8.952 . 1 87 16 16 GLY HA2 H 4.155 . . 88 16 16 GLY HA3 H 3.572 . . 89 17 17 GLN H H 8.060 . 1 90 17 17 GLN HA H 4.462 . 1 91 17 17 GLN HB2 H 2.167 . . 92 17 17 GLN HB3 H 1.366 . . 93 17 17 GLN HG2 H 2.016 . . 94 17 17 GLN HG3 H 1.877 . . 95 17 17 GLN HE21 H 6.950 . . 96 17 17 GLN HE22 H 6.794 . . stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label JR 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 (36-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 13.246 . 1 2 1 1 G H1' H 5.8 . 1 3 1 1 G H2' H 4.665 . 1 4 1 1 G H3' H 4.507 . 1 5 1 1 G H4' H 4.345 . 1 6 1 1 G H5' H 3.996 . . 7 1 1 G H5'' H 3.69 . . 8 1 1 G H8 H 8.173 . 1 9 2 2 C H1' H 5.624 . 1 10 2 2 C H2' H 4.362 . 1 11 2 2 C H3' H 4.254 . 1 12 2 2 C H4' H 4.334 . 1 13 2 2 C H5 H 5.562 . 1 14 2 2 C H5' H 4.55 . . 15 2 2 C H5'' H 3.969 . . 16 2 2 C H6 H 7.729 . 1 17 2 2 C H41 H 6.803 . . 18 2 2 C H42 H 8.313 . . 19 3 3 U H1' H 5.444 . 1 20 3 3 U H2' H 4.247 . 1 21 3 3 U H3 H 13.868 . 1 22 3 3 U H3' H 4.298 . 1 23 3 3 U H4' H 4.371 . 1 24 3 3 U H5 H 4.507 . 1 25 3 3 U H5' H 4.339 . . 26 3 3 U H5'' H 3.94 . . 27 3 3 U H6 H 7.2 . 1 28 4 4 G H1 H 12.082 . 1 29 4 4 G H1' H 5.647 . 1 30 4 4 G H2' H 3.99 . 1 31 4 4 G H3' H 4.375 . 1 32 4 4 G H4' H 4.306 . 1 33 4 4 G H5' H 4.441 . . 34 4 4 G H5'' H 3.94 . . 35 4 4 G H8 H 7.617 . 1 36 5 5 C H1' H 5.491 . 1 37 5 5 C H2' H 3.613 . 1 38 5 5 C H3' H 4.52 . 1 39 5 5 C H4' H 4.308 . 1 40 5 5 C H5 H 4.195 . 1 41 5 5 C H5' H 4.378 . . 42 5 5 C H5'' H 4.065 . . 43 5 5 C H6 H 7.187 . 1 44 5 5 C H41 H 7.225 . . 45 5 5 C H42 H 8.87 . . 46 6 6 G H1 H 11.38 . 1 47 6 6 G H1' H 5.973 . 1 48 6 6 G H2' H 5.2 . 1 49 6 6 G H3' H 4.885 . 1 50 6 6 G H4' H 4.256 . 1 51 6 6 G H5' H 4.444 . . 52 6 6 G H5'' H 4.225 . . 53 6 6 G H8 H 7.503 . 1 54 6 6 G H21 H 9.391 . . 55 6 6 G H22 H 6.994 . . 56 7 7 G H1 H 12.43 . 1 57 7 7 G H1' H 5.58 . 1 58 7 7 G H2' H 6.299 . 1 59 7 7 G H3' H 4.014 . 1 60 7 7 G H4' H 4.516 . 1 61 7 7 G H5' H 4.517 . . 62 7 7 G H5'' H 3.545 . . 63 7 7 G H8 H 7.182 . 1 64 7 7 G H21 H 7.998 . . 65 7 7 G H22 H 5.476 . . 66 8 8 U H1' H 5.244 . 1 67 8 8 U H2' H 3.586 . 1 68 8 8 U H3 H 12.293 . 1 69 8 8 U H3' H 4.363 . 1 70 8 8 U H4' H 4.364 . 1 71 8 8 U H5 H 4.195 . 1 72 8 8 U H5' H 4.364 . . 73 8 8 U H5'' H 4.155 . . 74 8 8 U H6 H 7.365 . 1 75 9 9 G H1 H 11.61 . 1 76 9 9 G H1' H 5.958 . 1 77 9 9 G H2' H 4.512 . 1 78 9 9 G H3' H 4.921 . 1 79 9 9 G H4' H 4.58 . 1 80 9 9 G H5' H 4.586 . . 81 9 9 G H5'' H 3.977 . . 82 9 9 G H8 H 7.435 . 1 83 9 9 G H21 H 9.23 . . 84 9 9 G H22 H 6.225 . . 85 10 10 U H1' H 6.146 . 1 86 10 10 U H2' H 4.546 . 1 87 10 10 U H3' H 4.791 . 1 88 10 10 U H4' H 4.47 . 1 89 10 10 U H5 H 6.006 . 1 90 10 10 U H5' H 4.704 . . 91 10 10 U H5'' H 4.06 . . 92 10 10 U H6 H 7.936 . 1 93 11 11 G H1 H 11.382 . 1 94 11 11 G H1' H 5.64 . 1 95 11 11 G H2' H 4.795 . 1 96 11 11 G H3' H 4.632 . 1 97 11 11 G H4' H 4.37 . 1 98 11 11 G H5' H 4.513 . . 99 11 11 G H5'' H 4.011 . . 100 11 11 G H8 H 7.822 . 1 101 12 12 G H1 H 11.281 . 1 102 12 12 G H1' H 6.232 . 1 103 12 12 G H2' H 4.318 . 1 104 12 12 G H3' H 4.841 . 1 105 12 12 G H4' H 4.572 . 1 106 12 12 G H5' H 4.5 . . 107 12 12 G H5'' H 4.119 . . 108 12 12 G H8 H 7.211 . 1 109 13 13 A H1' H 6.191 . 1 110 13 13 A H2 H 8.218 . 1 111 13 13 A H2' H 4.862 . 1 112 13 13 A H3' H 4.876 . 1 113 13 13 A H4' H 4.626 . 1 114 13 13 A H5' H 4.292 . . 115 13 13 A H5'' H 4.242 . . 116 13 13 A H8 H 8.481 . 1 117 14 14 A H1' H 5.76 . 1 118 14 14 A H2 H 7.257 . 1 119 14 14 A H2' H 4.624 . 1 120 14 14 A H3' H 4.619 . 1 121 14 14 A H4' H 4.417 . 1 122 14 14 A H5' H 4.47 . . 123 14 14 A H5'' H 4.21 . . 124 14 14 A H8 H 8.114 . 1 125 15 15 G H1 H 11.984 . 1 126 15 15 G H1' H 5.414 . 1 127 15 15 G H2' H 4.128 . 1 128 15 15 G H3' H 4.385 . 1 129 15 15 G H4' H 4.367 . 1 130 15 15 G H5' H 4.365 . . 131 15 15 G H5'' H 4.048 . . 132 15 15 G H8 H 7.584 . 1 133 16 16 G H1 H 11.093 . 1 134 16 16 G H1' H 5.855 . 1 135 16 16 G H2' H 4.34 . 1 136 16 16 G H3' H 5.013 . 1 137 16 16 G H4' H 4.533 . 1 138 16 16 G H5' H 4.389 . . 139 16 16 G H5'' H 4.05 . . 140 16 16 G H8 H 7.22 . 1 141 16 16 G H21 H 9.167 . . 142 16 16 G H22 H 6.484 . . 143 17 17 A H1' H 5.876 . 1 144 17 17 A H2 H 7.607 . 1 145 17 17 A H2' H 5.182 . 1 146 17 17 A H3' H 4.818 . 1 147 17 17 A H4' H 5.09 . 1 148 17 17 A H5' H 4.764 . . 149 17 17 A H5'' H 4.106 . . 150 17 17 A H8 H 8.523 . 1 151 18 18 G H1 H 10.587 . 1 152 18 18 G H1' H 5.73 . 1 153 18 18 G H2' H 4.62 . 1 154 18 18 G H3' H 4.413 . 1 155 18 18 G H4' H 4.609 . 1 156 18 18 G H5' H 4.471 . . 157 18 18 G H5'' H 4.044 . . 158 18 18 G H8 H 7.265 . 1 159 18 18 G H21 H 7.888 . . 160 18 18 G H22 H 4.872 . . 161 19 19 U H1' H 6.161 . 1 162 19 19 U H2' H 4.526 . 1 163 19 19 U H3' H 4.878 . 1 164 19 19 U H4' H 4.509 . 1 165 19 19 U H5 H 5.998 . 1 166 19 19 U H5' H 4.566 . . 167 19 19 U H5'' H 4.299 . . 168 19 19 U H6 H 7.988 . 1 169 20 20 G H1 H 11.538 . 1 170 20 20 G H1' H 5.681 . 1 171 20 20 G H2' H 4.778 . 1 172 20 20 G H3' H 4.707 . 1 173 20 20 G H4' H 4.4 . 1 174 20 20 G H5' H 4.211 . . 175 20 20 G H5'' H 4.087 . . 176 20 20 G H8 H 7.926 . 1 177 21 21 G H1 H 11.496 . 1 178 21 21 G H1' H 6.048 . 1 179 21 21 G H2' H 4.79 . 1 180 21 21 G H3' H 4.86 . 1 181 21 21 G H4' H 4.563 . 1 182 21 21 G H5' H 4.321 . . 183 21 21 G H5'' H 4.201 . . 184 21 21 G H8 H 7.789 . 1 185 22 22 C H1' H 6.058 . 1 186 22 22 C H2' H 4.37 . 1 187 22 22 C H3' H 4.721 . 1 188 22 22 C H4' H 4.569 . 1 189 22 22 C H5 H 6.128 . 1 190 22 22 C H5' H 4.437 . . 191 22 22 C H5'' H 4.264 . . 192 22 22 C H6 H 7.962 . 1 193 23 23 U H1' H 5.731 . 1 194 23 23 U H2' H 4.34 . 1 195 23 23 U H3' H 4.582 . 1 196 23 23 U H4' H 4.434 . 1 197 23 23 U H5 H 5.697 . 1 198 23 23 U H5' H 4.216 . . 199 23 23 U H5'' H 4.216 . . 200 23 23 U H6 H 7.734 . 1 201 24 24 G H1 H 11.922 . 1 202 24 24 G H1' H 5.626 . 1 203 24 24 G H2' H 4.504 . 1 204 24 24 G H3' H 4.375 . 1 205 24 24 G H4' H 4.382 . 1 206 24 24 G H5' H 4.274 . . 207 24 24 G H5'' H 4.138 . . 208 24 24 G H8 H 7.928 . 1 209 25 25 G H1 H 11.446 . 1 210 25 25 G H1' H 6.15 . 1 211 25 25 G H2' H 4.054 . 1 212 25 25 G H3' H 4.363 . 1 213 25 25 G H4' H 4.401 . 1 214 25 25 G H5' H 4.466 . . 215 25 25 G H5'' H 4.412 . . 216 25 25 G H8 H 6.963 . 1 217 25 25 G H21 H 8.443 . . 218 25 25 G H22 H 7.128 . . 219 26 26 G H1 H 11.762 . 1 220 26 26 G H1' H 5.717 . 1 221 26 26 G H2' H 4.303 . 1 222 26 26 G H3' H 4.935 . 1 223 26 26 G H4' H 4.671 . 1 224 26 26 G H5' H 4.241 . . 225 26 26 G H5'' H 4.206 . . 226 26 26 G H8 H 7.959 . 1 227 26 26 G H21 H 9.122 . . 228 26 26 G H22 H 5.921 . . 229 27 27 U H1' H 5.824 . 1 230 27 27 U H2' H 4.414 . 1 231 27 27 U H3' H 4.773 . 1 232 27 27 U H4' H 4.582 . 1 233 27 27 U H5 H 5.866 . 1 234 27 27 U H5' H 4.468 . . 235 27 27 U H5'' H 4.437 . . 236 27 27 U H6 H 7.831 . 1 237 28 28 U H1' H 5.633 . 1 238 28 28 U H2' H 4.017 . 1 239 28 28 U H3 H 10.964 . 1 240 28 28 U H3' H 4.641 . 1 241 28 28 U H4' H 3.996 . 1 242 28 28 U H5 H 5.866 . 1 243 28 28 U H5' H 4.554 . . 244 28 28 U H5'' H 4.373 . . 245 28 28 U H6 H 7.805 . 1 246 29 29 G H1 H 10.519 . 1 247 29 29 G H1' H 5.81 . 1 248 29 29 G H2' H 5.186 . 1 249 29 29 G H3' H 4.365 . 1 250 29 29 G H4' H 4.323 . 1 251 29 29 G H5' H 4.139 . . 252 29 29 G H5'' H 3.856 . . 253 29 29 G H8 H 7.38 . 1 254 29 29 G H21 H 6.41 . . 255 30 30 C H1' H 5.305 . 1 256 30 30 C H2' H 4.455 . 1 257 30 30 C H3' H 4.384 . 1 258 30 30 C H4' H 4.42 . 1 259 30 30 C H5 H 4.38 . 1 260 30 30 C H5' H 4.329 . . 261 30 30 C H5'' H 4.088 . . 262 30 30 C H6 H 6.928 . 1 263 30 30 C H41 H 8.076 . . 264 30 30 C H42 H 8.594 . . 265 31 31 G H1 H 12.671 . 1 266 31 31 G H1' H 5.632 . 1 267 31 31 G H2' H 4.492 . 1 268 31 31 G H3' H 4.619 . 1 269 31 31 G H4' H 4.375 . 1 270 31 31 G H5' H 4.588 . . 271 31 31 G H5'' H 3.979 . . 272 31 31 G H8 H 7.712 . 1 273 32 32 C H1' H 5.374 . 1 274 32 32 C H2' H 4.536 . 1 275 32 32 C H3' H 4.466 . 1 276 32 32 C H4' H 4.36 . 1 277 32 32 C H5 H 5.145 . 1 278 32 32 C H5' H 4.573 . . 279 32 32 C H5'' H 4.007 . . 280 32 32 C H6 H 7.65 . 1 281 32 32 C H41 H 6.962 . . 282 32 32 C H42 H 8.367 . . 283 33 33 A H1' H 6.385 . 1 284 33 33 A H2' H 5.781 . 1 285 33 33 A H3' H 4.392 . 1 286 33 33 A H4' H 4.551 . 1 287 33 33 A H5' H 4.398 . . 288 33 33 A H5'' H 4.439 . . 289 33 33 A H8 H 7.726 . 1 290 34 34 G H1 H 13.19 . 1 291 34 34 G H1' H 5.602 . 1 292 34 34 G H2' H 4.241 . 1 293 34 34 G H3' H 4.395 . 1 294 34 34 G H4' H 4.328 . 1 295 34 34 G H5' H 4.464 . . 296 34 34 G H5'' H 3.997 . . 297 34 34 G H8 H 7.164 . 1 298 35 35 C H1' H 5.562 . 1 299 35 35 C H2' H 4.025 . 1 300 35 35 C H3' H 4.304 . 1 301 35 35 C H4' H 4.236 . 1 302 35 35 C H5 H 4.852 . 1 303 35 35 C H5' H 4.41 . . 304 35 35 C H5'' H 3.932 . . 305 35 35 C H6 H 7.462 . 1 306 35 35 C H41 H 6.399 . . 307 35 35 C H42 H 8.501 . . 308 36 36 G H1' H 5.907 . 1 309 36 36 G H2' H 5.099 . 1 310 36 36 G H3' H 5.016 . 1 311 36 36 G H4' H 4.296 . 1 312 36 36 G H5' H 4.209 . . 313 36 36 G H5'' H 4.088 . . 314 36 36 G H8 H 7.59 . 1 stop_ save_