data_25100 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure pf tRNApro:MLV-Nucleocapsid (1:2) Complex ; _BMRB_accession_number 25100 _BMRB_flat_file_name bmr25100.str _Entry_type original _Submission_date 2014-07-19 _Accession_date 2014-07-19 _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 D'Souza Victoria . . 2 Yildiz Zehra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 6 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 299 "13C chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-16 update BMRB 'update entry citation' 2014-09-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25049 'RNA (68-MER)' 25052 'RNA (68-MER) and Nucleocapsid protein p10' 25101 'tRNApro:MLV Nucleocapsid Protein (1:1) Complex' stop_ _Original_release_date 2015-10-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A structure-based mechanism for tRNA and retroviral RNA remodelling during primer annealing ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25209668 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miller Sarah B. . 2 Yildiz F. Zehra . 3 Lo Jennifer A. . 4 Wang Bo . . 5 D'Souza Victoria M. . stop_ _Journal_abbreviation Nature _Journal_volume 515 _Journal_issue 7528 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 591 _Page_last 595 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'pf tRNApro:MLV-Nucleocapsid (1:2) Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'RNA (71-MER), 1' $RNA_(71-MER) 'RNA (71-MER), 2' $RNA_(71-MER) 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MLV_Nucleocapsid _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; ATVVSGQKQDRQGGERRRSQ LDRDQCAYCKEKGHWAKDCP KKPRGPRGPRPQTSL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 101 ALA 2 102 THR 3 103 VAL 4 104 VAL 5 105 SER 6 106 GLY 7 107 GLN 8 108 LYS 9 109 GLN 10 110 ASP 11 111 ARG 12 112 GLN 13 113 GLY 14 114 GLY 15 115 GLU 16 116 ARG 17 117 ARG 18 118 ARG 19 119 SER 20 120 GLN 21 121 LEU 22 122 ASP 23 123 ARG 24 124 ASP 25 125 GLN 26 126 CYS 27 127 ALA 28 128 TYR 29 129 CYS 30 130 LYS 31 131 GLU 32 132 LYS 33 133 GLY 34 134 HIS 35 135 TRP 36 136 ALA 37 137 LYS 38 138 ASP 39 139 CYS 40 140 PRO 41 141 LYS 42 142 LYS 43 143 PRO 44 144 ARG 45 145 GLY 46 146 PRO 47 147 ARG 48 148 GLY 49 149 PRO 50 150 ARG 51 151 PRO 52 152 GLN 53 153 THR 54 154 SER 55 155 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25052 entity_1 100.00 56 100.00 100.00 4.17e-30 BMRB 25101 MLV_Nucleocapsid 100.00 55 100.00 100.00 3.86e-30 PDB 1A6B "Nmr Structure Of The Complex Between The Zinc Finger Protein Ncp10 Of Moloney Murine Leukemia Virus And A Sequence Of The Psi-P" 72.73 40 100.00 100.00 3.29e-19 PDB 1U6P "Nmr Structure Of The Mlv Encapsidation Signal Bound To The Nucleocapsid Protein" 100.00 56 100.00 100.00 4.17e-30 PDB 1WWD "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Aacagu" 100.00 56 100.00 100.00 4.17e-30 PDB 1WWE "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Uuuugcu" 100.00 56 100.00 100.00 4.17e-30 PDB 1WWF "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Ccuccgu" 100.00 56 100.00 100.00 4.17e-30 PDB 1WWG "Nmr Structure Determined For Mlv Nc Complex With Rna Sequence Uaucug" 100.00 56 100.00 100.00 4.17e-30 PDB 2MQV "Solution Nmr Structure Of The U5-primer Binding Site (u5-pbs) Domain Of Murine Leukemia Virus Rna Genome Bound To The Retrovira" 100.00 56 100.00 100.00 4.17e-30 PDB 2MS0 "Solution Nmr Structure Pf Trnapro:mlv-nucleocapsid (1:2) Complex" 100.00 56 100.00 100.00 4.17e-30 PDB 2MS1 "Solution Nmr Structure Of Trnapro:mlv Nucleocapsid Protein (1:1) Complex" 100.00 56 100.00 100.00 4.17e-30 GB AAB59942 "gag polyprotein pr65 [Murine leukemia virus]" 100.00 538 100.00 100.00 2.04e-28 GB AAB64159 "Gag [synthetic construct]" 100.00 538 100.00 100.00 2.04e-28 GB AAC82566 "Pr65 [Moloney murine leukemia virus]" 100.00 538 100.00 100.00 2.04e-28 GB AAC82568 "Pr180 [Moloney murine leukemia virus]" 100.00 1737 100.00 100.00 4.87e-28 GB AAL69908 "gPr80 glycosylated gag polyprotein [Moloney murine leukemia virus]" 100.00 626 98.18 100.00 9.13e-28 PRF 0711245A "protein gag/pol/env" 100.00 2514 100.00 100.00 6.78e-28 REF NP_057933 "Pr180 [Moloney murine leukemia virus]" 100.00 1737 100.00 100.00 4.87e-28 REF NP_057934 "Pr65 [Moloney murine leukemia virus]" 100.00 538 100.00 100.00 2.04e-28 REF NP_955586 "p10 NC [Moloney murine leukemia virus]" 100.00 56 100.00 100.00 4.17e-30 SP P03332 "RecName: Full=Gag polyprotein; Short=Pr65gag; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p15; Short" 100.00 538 100.00 100.00 2.04e-28 SP P03355 "RecName: Full=Gag-Pol polyprotein; Short=Pr180gag-pol; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName:" 100.00 1738 100.00 100.00 4.88e-28 SP Q8UN02 "RecName: Full=Glycosylated Gag polyprotein; Short=Pr80gag; AltName: Full=Glyco-gag; AltName: Full=gp80gag; Contains: RecName: F" 100.00 626 98.18 100.00 9.13e-28 stop_ save_ save_RNA_(71-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(71-MER) _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 74 _Mol_residue_sequence ; GGCUCGUUGGUCUAGGGGUA UGAUUCUCGCUUAGGGUGCG AGAGGUCCCGGGUUCAAAUC CCGGACGAGCCCCA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 C 4 4 U 5 5 C 6 6 G 7 7 U 8 8 U 9 9 G 10 10 G 11 11 U 12 12 C 13 13 U 14 14 A 15 15 G 16 16 G 17 18 G 18 19 G 19 20 U 20 21 A 21 22 U 22 23 G 23 24 A 24 25 U 25 26 U 26 27 C 27 28 U 28 29 C 29 30 G 30 31 C 31 32 U 32 33 U 33 34 A 34 35 G 35 36 G 36 37 G 37 38 U 38 39 G 39 40 C 40 41 G 41 42 A 42 43 G 43 44 A 44 45 G 45 46 G 46 47 U 47 48 C 48 49 C 49 50 C 50 51 G 51 52 G 52 53 G 53 54 U 54 55 U 55 56 C 56 57 A 57 58 A 58 59 A 59 60 U 60 61 C 61 62 C 62 63 C 63 64 G 64 65 G 65 66 A 66 67 C 67 68 G 68 69 A 69 70 G 70 71 C 71 72 C 72 73 C 73 74 C 74 75 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _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 $entity_1 'Murine Leukemia Virus' 11786 . . Gammaretrovirus . $RNA_(71-MER) 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_name $entity_1 'recombinant technology' . . . . pCNA $RNA_(71-MER) 'enzymatic semisynthesis' . . . . . 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 $entity_1 0.5 mM 'natural abundance' MgCl2 1 mM 'natural abundance' NaCl 10 mM 'natural abundance' Tris 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '13C, 15N G-lab tRNA-pro' MgCl2 1 mM 'natural abundance' NaCl 10 mM 'natural abundance' Tris 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '13C, 15N G-lab tRNA-pro' MgCl2 1 mM 'natural abundance' NaCl 10 mM 'natural abundance' Tris 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' processing refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13N HSQC' _Sample_label $sample_3 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-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details solution loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . pH pressure 1 . atm temperature 311 . 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 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_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 101 1 ALA HA H 4.159 0.0 1 2 102 2 THR HA H 4.03943 0.0 1 3 102 2 THR HB H 3.88605 0.0 1 4 102 2 THR HG2 H 0.93912 0.0 1 5 103 3 VAL HA H 3.89603 0.0 1 6 103 3 VAL HB H 1.79839 0.0 1 7 121 21 LEU HA H 4.0699 0.0 1 8 121 21 LEU HG H 1.25464 0.0 1 9 123 23 ARG HA H 4.13583 0.0 1 10 123 23 ARG HB2 H 1.75687 0.0 2 11 123 23 ARG HD2 H 3.06312 0.0 2 12 124 24 ASP HA H 4.36007 0.0 1 13 126 26 CYS HA H 4.27619 0.0 1 14 126 26 CYS HB2 H 1.75491 0.0 2 15 127 27 ALA HA H 3.57289 0.0 1 16 127 27 ALA HB H 0.952655 0.0 1 17 128 28 TYR HA H 4.23773 0.0 1 18 129 29 CYS HA H 4.05319 0.0 1 19 130 30 LYS HE2 H 2.64225 0.0 2 20 131 31 GLU HA H 4.195085 0.0 1 21 131 31 GLU HG2 H 2.34018 0.0 2 22 134 34 HIS HA H 4.00805 0.0 1 23 134 34 HIS HD1 H 7.01896588235 0.0 1 24 135 35 TRP HA H 5.25183153846 0.0 1 25 135 35 TRP HB2 H 3.263855 0.0 2 26 137 37 LYS HB2 H 1.752265 0.0 2 27 137 37 LYS HG2 H 1.611418 0.0 2 28 137 37 LYS HE2 H 2.7535625 0.0 2 29 141 41 LYS HB2 H 1.7608 0.0 2 30 141 41 LYS HB3 H 1.92041666667 0.0 2 31 142 42 LYS HG2 H 0.668386666667 0.0 2 32 142 42 LYS HE2 H 2.511014 0.0 2 stop_ save_ save_assigned_chem_shift_list_2_dup _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 2 2 THR HA H 4.3333125 0.0 1 2 2 2 THR HB H 4.06889666667 0.0 1 3 3 3 VAL HA H 3.89224 0.0 1 4 3 3 VAL HB H 1.801695 0.0 1 5 4 4 VAL HA H 3.93334 0.0 1 6 4 4 VAL HB H 1.83452 0.0 1 7 5 5 SER HA H 4.219625 0.0 1 8 5 5 SER HB2 H 3.700315 0.0 2 9 6 6 GLY HA2 H 3.831655 0.0 2 10 7 7 GLN HA H 4.14482 0.0 1 11 7 7 GLN HB2 H 1.7388 0.0 2 12 7 7 GLN HG2 H 2.15196666667 0.0 2 13 8 8 LYS HA H 3.15804 0.0 1 14 8 8 LYS HE2 H 2.72654 0.0 2 15 16 16 ARG HD2 H 2.86487 0.0 2 16 18 18 ARG HA H 4.04056 0.0 1 17 18 18 ARG HB2 H 1.51695 0.0 2 18 18 18 ARG HG2 H 1.35148 0.0 2 19 18 18 ARG HD2 H 2.87744 0.0 2 20 19 19 SER HA H 4.19504 0.0 1 21 19 19 SER HB2 H 3.62832 0.0 2 22 21 21 LEU HA H 4.20494 0.0 1 23 21 21 LEU HG H 1.30562 0.0 1 24 22 22 ASP HA H 4.39841 0.0 1 25 22 22 ASP HB2 H 2.63813 0.0 2 26 23 23 ARG HA H 4.11448 0.0 1 27 23 23 ARG HB2 H 1.7351 0.0 2 28 23 23 ARG HG2 H 1.6182 0.0 2 29 23 23 ARG HD2 H 3.06487 0.0 2 30 26 26 CYS HA H 4.278955 0.0 1 31 26 26 CYS HB2 H 1.850795 0.0 2 32 26 26 CYS HB3 H 2.830545 0.0 2 33 27 27 ALA HA H 3.72154333333 0.0 1 34 28 28 TYR HA H 4.264765 0.0 1 35 28 28 TYR HB2 H 2.9862 0.0 2 36 28 28 TYR HB3 H 2.2891 0.0 2 37 28 28 TYR HD1 H 7.06900684211 0.0 3 38 28 28 TYR HE1 H 6.61197642857 0.0 3 39 28 28 TYR HE2 H 6.50904 0.0 3 40 29 29 CYS HA H 4.15013 0.0 1 41 29 29 CYS HB2 H 2.89038 0.0 2 42 30 30 LYS HA H 4.16732 0.0 1 43 30 30 LYS HE2 H 2.554864 0.0 2 44 31 31 GLU HA H 4.229175 0.0 1 45 31 31 GLU HG2 H 2.22803 0.0 2 46 34 34 HIS HA H 3.596725 0.0 1 47 34 34 HIS HB2 H 3.5374 0.0 2 48 34 34 HIS HD1 H 6.9744025 0.0 1 49 34 34 HIS HE1 H 7.47655 0.0 1 50 35 35 TRP HA H 5.049285 0.0 1 51 35 35 TRP HB2 H 3.3452175 0.0 2 52 35 35 TRP HB3 H 2.93862 0.0 2 53 35 35 TRP HD1 H 6.774681 0.0 1 54 35 35 TRP HE3 H 6.970178 0.0 1 55 35 35 TRP HZ2 H 7.237385 0.0 1 56 35 35 TRP HZ3 H 6.80545375 0.0 1 57 35 35 TRP HH2 H 7.052926 0.0 1 58 37 37 LYS HA H 3.98681 0.0 1 59 37 37 LYS HG2 H 1.5813425 0.0 2 60 38 38 ASP HA H 4.78504444444 0.0 1 61 38 38 ASP HB2 H 2.83356 0.0 2 62 39 39 CYS HB2 H 3.09207 0.0 2 63 39 39 CYS HB3 H 2.94741 0.0 2 64 41 41 LYS HB2 H 1.8018 0.0 2 65 42 42 LYS HA H 3.71094 0.0 1 66 42 42 LYS HG2 H 0.69359 0.0 2 67 42 42 LYS HD2 H 1.32293 0.0 2 68 42 42 LYS HE2 H 2.48154 0.0 2 69 45 45 GLY HA2 H 3.61512333333 0.0 2 70 46 46 PRO HA H 4.33253 0.0 1 71 54 54 SER HA H 4.25746 0.0 1 72 54 54 SER HB2 H 3.65088 0.0 2 73 55 55 LEU HA H 4.22908 0.0 1 74 55 55 LEU HG H 1.386685 0.0 1 stop_ save_ save_assigned_chem_shift_list_2_dup_dup _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (71-MER), 1' _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 5.8549 0.0 1 2 1 1 G H2' H 4.84317 0.0 1 3 1 1 G H8 H 7.964975 0.0 1 4 2 2 G H8 H 7.46028 0.0 1 5 4 4 U H1' H 5.56974 0.0 1 6 4 4 U H5 H 5.44296 0.0 1 7 4 4 U H6 H 7.887685 0.0 1 8 6 6 G H1' H 5.70555 0.0 1 9 6 6 G H8 H 7.53632 0.0 1 10 7 7 U H1' H 5.64141 0.0 1 11 7 7 U H5 H 5.81165 0.0 1 12 7 7 U H6 H 7.86766333333 0.0 1 13 8 8 U H1' H 5.83657 0.0 1 14 8 8 U H5 H 5.80571 0.0 1 15 8 8 U H6 H 7.67588 0.0 1 16 9 9 G H1' H 5.75782 0.0 1 17 9 9 G H8 H 7.158305 0.0 1 18 10 10 G H1' H 5.779725 0.0 1 19 10 10 G H8 H 7.35231333333 0.0 1 20 11 11 U H1' H 5.552715 0.0 1 21 11 11 U H5 H 5.340205 0.0 1 22 11 11 U H6 H 7.5382375 0.0 1 23 12 12 C H1' H 5.53461 0.0 1 24 12 12 C H5 H 5.448055 0.0 1 25 12 12 C H6 H 7.656918 0.0 1 26 13 13 U H1' H 5.59061 0.0 1 27 13 13 U H5 H 5.5287 0.0 1 28 13 13 U H6 H 7.821782 0.0 1 29 14 14 A H1' H 5.85543 0.0 1 30 14 14 A H2 H 8.04324 0.0 1 31 14 14 A H8 H 8.11719 0.0 1 32 15 15 G H1' H 5.63222 0.0 1 33 15 15 G H8 H 7.87216333333 0.0 1 34 18 17 G H1' H 5.381325 0.0 1 35 18 17 G H8 H 7.219695 0.0 1 36 19 18 G H8 H 7.65396 0.0 1 37 20 19 U H1' H 5.537545 0.0 1 38 20 19 U H5 H 5.4088 0.0 1 39 20 19 U H6 H 7.520655 0.0 1 40 21 20 A H1' H 5.86758 0.0 1 41 21 20 A H2 H 8.02888 0.0 1 42 21 20 A H8 H 8.19764666667 0.0 1 43 22 21 U H1' H 5.40791 0.0 1 44 22 21 U H5 H 5.41427333333 0.0 1 45 22 21 U H6 H 7.511415 0.0 1 46 24 23 A H8 H 8.19761 0.0 1 47 25 24 U H6 H 7.51847 0.0 1 48 26 25 U H1' H 5.60265 0.0 1 49 26 25 U H5 H 5.897365 0.0 1 50 26 25 U H6 H 8.0801225 0.0 1 51 27 26 C H1' H 5.62604 0.0 1 52 27 26 C H5 H 5.80499 0.0 1 53 27 26 C H6 H 8.03657333333 0.0 1 54 28 27 U H1' H 5.52756 0.0 1 55 28 27 U H5 H 5.42166 0.0 1 56 28 27 U H6 H 7.9582375 0.0 1 57 29 28 C H1' H 5.56539 0.0 1 58 29 28 C H5 H 5.65857 0.0 1 59 29 28 C H6 H 7.84813666667 0.0 1 60 30 29 G H1' H 5.671845 0.0 1 61 30 29 G H8 H 7.59902 0.0 1 62 31 30 C H1' H 5.53208 0.0 1 63 31 30 C H5 H 5.16256 0.0 1 64 31 30 C H6 H 7.46975 0.0 1 65 32 31 U H1' H 5.852635 0.0 1 66 32 31 U H6 H 7.8941 0.0 1 67 33 32 U H5 H 5.604405 0.0 1 68 33 32 U H6 H 7.746975 0.0 1 69 38 37 U H1' H 5.58082 0.0 1 70 38 37 U H5 H 5.69087 0.0 1 71 38 37 U H6 H 7.713075 0.0 1 72 39 38 G H1' H 5.54674 0.0 1 73 39 38 G H8 H 7.78508 0.0 1 74 40 39 C H1' H 5.581175 0.0 1 75 40 39 C H5 H 5.30158 0.0 1 76 40 39 C H6 H 7.65534333333 0.0 1 77 41 40 G H1' H 5.754035 0.0 1 78 41 40 G H8 H 7.573215 0.0 1 79 42 41 A H1' H 5.9304 0.0 1 80 42 41 A H2 H 7.39625333333 0.0 1 81 42 41 A H8 H 7.74718 0.0 1 82 43 42 G H1' H 5.58054666667 0.0 1 83 43 42 G H8 H 7.09116 0.0 1 84 44 43 A H1' H 5.93344 0.0 1 85 44 43 A H2 H 7.67145 0.0 1 86 44 43 A H8 H 7.59865 0.0 1 87 45 44 G H1' H 5.852795 0.0 1 88 45 44 G H8 H 7.719785 0.0 1 89 46 45 G H1' H 5.76575 0.0 1 90 46 45 G H8 H 7.45647333333 0.0 1 91 48 47 C H1' H 6.09483 0.0 1 92 48 47 C H5 H 5.57618 0.0 1 93 48 47 C H6 H 7.75285 0.0 1 94 51 50 G H1' H 5.741685 0.0 1 95 51 50 G H8 H 7.23671 0.0 1 96 52 51 G H1' H 5.74222 0.0 1 97 52 51 G H8 H 7.70075 0.0 1 98 53 52 G H1' H 5.76514 0.0 1 99 53 52 G H8 H 7.146312 0.0 1 100 54 53 U H1' H 5.75039 0.0 1 101 54 53 U H5 H 5.24906 0.0 1 102 54 53 U H6 H 7.5380275 0.0 1 103 55 54 U H1' H 5.73517 0.0 1 104 55 54 U H5 H 5.72807 0.0 1 105 55 54 U H6 H 7.745795 0.0 1 106 56 55 C H1' H 5.83252 0.0 1 107 56 55 C H5 H 5.97473 0.0 1 108 56 55 C H6 H 7.91932333333 0.0 1 109 57 56 A H1' H 5.75172 0.0 1 110 57 56 A H2 H 7.98858 0.0 1 111 57 56 A H8 H 8.089726 0.0 1 112 58 57 A H1' H 6.152935 0.0 1 113 58 57 A H2 H 8.06238 0.0 1 114 58 57 A H8 H 8.46881 0.0 1 115 59 58 A H1' H 5.95892 0.0 1 116 59 58 A H2 H 7.928695 0.0 1 117 59 58 A H8 H 8.27152 0.0 1 118 60 59 U H1' H 6.01073 0.0 1 119 60 59 U H5 H 5.91826 0.0 1 120 60 59 U H6 H 7.8681525 0.0 1 121 61 60 C H1' H 5.32931 0.0 1 122 61 60 C H5 H 5.684595 0.0 1 123 61 60 C H6 H 7.790755 0.0 1 124 62 61 C H1' H 5.59603 0.0 1 125 62 61 C H5 H 5.5388 0.0 1 126 62 61 C H6 H 7.89030333333 0.0 1 127 64 63 G H1' H 5.70305 0.0 1 128 65 64 G H1' H 5.69597666667 0.0 1 129 65 64 G H8 H 7.2041 0.0 1 130 66 65 A H1' H 5.95888666667 0.0 1 131 66 65 A H2 H 7.80721 0.0 1 132 66 65 A H8 H 7.76927 0.0 1 133 67 66 C H1' H 5.470735 0.0 1 134 67 66 C H5 H 5.28384 0.0 1 135 67 66 C H6 H 7.498345 0.0 1 136 71 70 C H5 H 5.48187 0.0 1 137 71 70 C H6 H 7.65959 0.0 1 138 72 71 C H5 H 5.47057 0.0 1 139 72 71 C H6 H 7.83234 0.0 1 140 74 72 C H5 H 5.80568 0.0 1 141 74 72 C H6 H 7.78857 0.0 1 142 75 73 C H1' H 5.66473 0.0 1 143 75 73 C H6 H 7.753895 0.0 1 144 76 74 A H1' H 6.10641 0.0 1 145 76 74 A H8 H 8.46201 0.0 1 stop_ save_ save_assigned_chem_shift_list_2_dup_dup_dup _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (71-MER), 1' _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 6 6 G H1' H 5.55020625 0.0 1 2 6 6 G H2' H 3.53274 0.0 1 3 6 6 G H3' H 4.268976 0.0 1 4 6 6 G H5' H 3.82485 0.0 2 5 6 6 G H5'' H 4.03537 0.0 2 6 6 6 G H8 H 7.72087 0.0 1 7 7 7 U H1' H 5.78417722222 0.0 1 8 7 7 U H2' H 4.1024125 0.0 1 9 7 7 U H3' H 4.3081375 0.0 1 10 7 7 U H4' H 4.57903 0.0 1 11 7 7 U H5 H 5.84887818182 0.0 1 12 7 7 U H5' H 3.834744 0.0 2 13 7 7 U H5'' H 3.92492 0.0 2 14 7 7 U H6 H 7.76035214286 0.0 1 15 8 8 U H1' H 5.713719 0.0 1 16 8 8 U H2' H 4.061845 0.0 1 17 8 8 U H3' H 4.23449666667 0.0 1 18 8 8 U H4' H 4.23824666667 0.0 1 19 8 8 U H5 H 5.616590625 0.0 1 20 8 8 U H5' H 3.83183 0.0 2 21 8 8 U H6 H 7.5198025 0.0 1 22 9 9 G H1' H 5.286549 0.0 1 23 9 9 G H2' H 4.27899 0.0 1 24 9 9 G H3' H 4.24854 0.0 1 25 9 9 G H4' H 3.93692 0.0 1 26 9 9 G H5' H 3.80757 0.0 2 27 9 9 G H5'' H 3.89628 0.0 2 28 9 9 G H8 H 7.6518565 0.0 1 stop_ save_ save_assigned_chem_shift_list_2_dup_dup_dup_dup _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (71-MER), 1' _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 C8 C 140.79156 0.0 1 2 2 2 G C8 C 137.51604 0.0 1 3 4 4 U C1' C 91.12826 0.0 1 4 11 11 U C1' C 90.80413 0.0 1 5 13 13 U C1' C 91.00335 0.0 1 6 15 15 G C8 C 139.798 0.0 1 7 16 16 G C8 C 142.18811 0.0 1 8 18 17 G C8 C 137.25616 0.0 1 9 19 18 G C8 C 137.86249 0.0 1 10 22 21 U C1' C 88.98969 0.0 1 11 25 24 U C1' C 88.29127 0.0 1 12 26 25 U C1' C 91.00851 0.0 1 13 28 27 U C1' C 91.05393 0.0 1 14 30 29 G C8 C 137.62833 0.0 1 15 32 31 U C1' C 89.23909 0.0 1 16 33 32 U C1' C 90.16505 0.0 1 17 38 37 U C1' C 91.09109 0.0 1 18 39 38 G C8 C 138.6777 0.0 1 19 41 40 G C8 C 137.61125 0.0 1 20 43 42 G C8 C 137.14407 0.0 1 21 45 44 G C8 C 139.8838 0.0 1 22 46 45 G C8 C 138.04926 0.0 1 23 47 46 U C1' C 88.52044 0.0 1 24 51 50 G C8 C 137.52872 0.0 1 25 52 51 G C8 C 137.40176 0.0 1 26 53 52 G C8 C 137.45889 0.0 1 27 54 53 U C1' C 89.23909 0.0 1 28 55 54 U C1' C 88.07558 0.0 1 29 60 59 U C1' C 87.83294 0.0 1 30 64 63 G C8 C 137.5332 0.0 1 31 65 64 G C8 C 137.44621 0.0 1 32 68 67 G C8 C 137.60548 0.0 1 33 70 69 G C8 C 137.40176 0.0 1 stop_ save_ save_assigned_chem_shift_list_2_dup_dup_dup_dup_dup _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (71-MER), 1' _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 34 33 A H1' H 5.72061117647 0.0 1 2 34 33 A H2 H 8.24419 0.0 1 3 34 33 A H2' H 4.532706 0.0 1 4 34 33 A H3' H 4.20863 0.0 1 5 34 33 A H4' H 4.16409 0.0 1 6 34 33 A H5' H 3.783195 0.0 2 7 34 33 A H8 H 7.84495588235 0.0 1 8 35 34 G H1' H 5.53052461538 0.0 1 9 35 34 G H2' H 4.53681666667 0.0 1 10 35 34 G H3' H 4.21947 0.0 1 11 35 34 G H5' H 3.9117325 0.0 2 12 35 34 G H8 H 7.71422 0.0 1 13 36 35 G H1' H 5.51558818182 0.0 1 14 36 35 G H2' H 4.3762925 0.0 1 15 36 35 G H3' H 4.08285 0.0 1 16 36 35 G H8 H 7.6539925 0.0 1 17 37 36 G H1' H 5.09762166667 0.0 1 18 37 36 G H2' H 4.4568 0.0 1 19 37 36 G H3' H 4.25446 0.0 1 20 37 36 G H8 H 7.63903444444 0.0 1 stop_ save_