data_19534 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural basis of the non-coding RNA RsmZ acting as protein sponge: Conformer L of RsmZ(1-72)/RsmE(dimer) 1to3 complex ; _BMRB_accession_number 19534 _BMRB_flat_file_name bmr19534.str _Entry_type original _Submission_date 2013-10-02 _Accession_date 2013-10-02 _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 Duss Olivier . . 2 Michel Erich . . 3 Yulikov Maxim . . 4 Schubert Mario . . 5 Jeschke Gunnar . . 6 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 "13C chemical shifts" 125 "15N chemical shifts" 21 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-05 update BMRB 'update entry citation' 2014-05-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of the non-coding RNA RsmZ acting as a protein sponge.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24828038 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Duss Olivier . . 2 Michel Erich . . 3 Yulikov Maxim . . 4 Schubert Mario . . 5 Jeschke Gunnar . . 6 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation Nature _Journal_name_full Nature _Journal_volume 509 _Journal_issue 7502 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 588 _Page_last 592 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'non-coding RNA RsmZ acting as protein sponge: Conformer L of RsmZ(1-72)/RsmE(dimer) 1to3 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RsmE, 1' $RsmE 'RsmE, 2' $RsmE 'RsmE, 3' $RsmE 'RsmE, 4' $RsmE 'RsmE, 5' $RsmE 'RsmE, 6' $RsmE 'RNA (72-MER)' $RNA_(72-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_RsmE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RsmE _Molecular_mass 6405.423 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MLILTRKVGESINIGDDITI TILGVSGQQVRIGINAPKDV AVHREEIYQRIQAGLTAPD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ILE 4 LEU 5 THR 6 ARG 7 LYS 8 VAL 9 GLY 10 GLU 11 SER 12 ILE 13 ASN 14 ILE 15 GLY 16 ASP 17 ASP 18 ILE 19 THR 20 ILE 21 THR 22 ILE 23 LEU 24 GLY 25 VAL 26 SER 27 GLY 28 GLN 29 GLN 30 VAL 31 ARG 32 ILE 33 GLY 34 ILE 35 ASN 36 ALA 37 PRO 38 LYS 39 ASP 40 VAL 41 ALA 42 VAL 43 HIS 44 ARG 45 GLU 46 GLU 47 ILE 48 TYR 49 GLN 50 ARG 51 ILE 52 GLN 53 ALA 54 GLY 55 LEU 56 THR 57 ALA 58 PRO 59 ASP 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 15257 RsmE 100.00 70 100.00 100.00 2.61e-32 BMRB 19544 RsmE 100.00 65 100.00 100.00 3.95e-32 BMRB 19546 RsmE 100.00 65 100.00 100.00 3.95e-32 BMRB 19547 RsmE 100.00 65 100.00 100.00 3.95e-32 BMRB 19548 RsmE 100.00 65 100.00 100.00 3.95e-32 BMRB 19549 RsmE 100.00 65 100.00 100.00 3.95e-32 PDB 2JPP "Structural Basis Of RsmaCSRA RNA RECOGNITION: STRUCTURE OF Rsme Bound To The Shine-Dalgarno Sequence Of Hcna Mrna" 100.00 70 100.00 100.00 2.61e-32 PDB 2MF0 "Structural Basis Of The Non-coding Rna Rsmz Acting As Protein Sponge: Conformer L Of Rsmz(1-72)/rsme(dimer) 1to3 Complex" 100.00 70 100.00 100.00 2.61e-32 PDB 2MF1 "Structural Basis Of The Non-coding Rna Rsmz Acting As Protein Sponge: Conformer R Of Rsmz(1-72)/rsme(dimer) 1to3 Complex" 100.00 70 100.00 100.00 2.61e-32 PDB 2MFC "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl1)/rsme(dimer) 2:1 Complex" 100.00 70 100.00 100.00 2.61e-32 PDB 2MFE "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl2)/rsme(dimer) 2:1 Complex" 100.00 70 100.00 100.00 2.61e-32 PDB 2MFF "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl3)/rsme(dimer) 2:1 Complex" 100.00 70 100.00 100.00 2.61e-32 PDB 2MFG "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(sl4)/rsme(dimer) 2:1 Complex" 100.00 70 100.00 100.00 2.61e-32 PDB 2MFH "Csr/rsm Protein-rna Recognition - A Molecular Affinity Ruler: Rsmz(36- 44)/rsme(dimer) 2:1 Complex" 100.00 70 100.00 100.00 2.61e-32 DBJ BAO61455 "carbon storage regulator [Pseudomonas protegens Cab57]" 100.00 64 100.00 100.00 3.35e-32 DBJ BAQ73744 "translational regulator RsmE [Pseudomonas sp. Os17]" 100.00 64 98.31 100.00 1.30e-31 DBJ BAQ80031 "translational regulator RsmE [Pseudomonas sp. St29]" 100.00 64 98.31 100.00 1.30e-31 EMBL CAY50674 "carbon storage regulator [Pseudomonas fluorescens SBW25]" 100.00 74 100.00 100.00 1.38e-32 EMBL CDF93721 "Carbon storage regulator [Pseudomonas sp. SHC52]" 100.00 64 98.31 100.00 1.33e-31 EMBL CEL28723 "hypothetical protein SRM1_02070 [Pseudomonas fluorescens]" 100.00 64 98.31 100.00 1.33e-31 GB AAT27429 "translational repressor [Pseudomonas protegens]" 100.00 64 100.00 100.00 3.35e-32 GB AAY91370 "translational regulator RsmE [Pseudomonas protegens Pf-5]" 100.00 64 100.00 100.00 3.35e-32 GB ABA73655 "carbon storage regulator [Pseudomonas fluorescens Pf0-1]" 100.00 64 98.31 100.00 1.33e-31 GB ABW16953 "RsmE [Pseudomonas fluorescens]" 100.00 64 98.31 100.00 1.33e-31 GB AEA70068 "regulator of secondary metabolites [Pseudomonas brassicacearum subsp. brassicacearum NFM421]" 100.00 64 98.31 100.00 1.33e-31 REF WP_003179932 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 100.00 64 98.31 100.00 1.33e-31 REF WP_003192511 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 100.00 64 100.00 100.00 3.10e-32 REF WP_007905913 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 100.00 64 98.31 100.00 1.33e-31 REF WP_007920550 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 100.00 64 100.00 100.00 3.35e-32 REF WP_007938114 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 100.00 64 100.00 100.00 3.61e-32 stop_ save_ save_RNA_(72-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(72-MER) _Molecular_mass 23372.182 _Mol_thiol_state 'not present' _Details . _Residue_count 72 _Mol_residue_sequence ; UGUCGACGGAUAGACACAGC CAUCAAGGACGAUGGUCAGG ACAUCGCAGGAAGCGAUUCA UCAGGACGAUGA ; loop_ _Residue_seq_code _Residue_label 1 U 2 G 3 U 4 C 5 G 6 A 7 C 8 G 9 G 10 A 11 U 12 A 13 G 14 A 15 C 16 A 17 C 18 A 19 G 20 C 21 C 22 A 23 U 24 C 25 A 26 A 27 G 28 G 29 A 30 C 31 G 32 A 33 U 34 G 35 G 36 U 37 C 38 A 39 G 40 G 41 A 42 C 43 A 44 U 45 C 46 G 47 C 48 A 49 G 50 G 51 A 52 A 53 G 54 C 55 G 56 A 57 U 58 U 59 C 60 A 61 U 62 C 63 A 64 G 65 G 66 A 67 C 68 G 69 A 70 U 71 G 72 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 _Strain $RsmE 'Pseudomonas fluorescens' 294 Bacteria . Pseudomonas fluorescens CHA0 $RNA_(72-MER) 'Pseudomonas fluorescens' 294 Bacteria . Pseudomonas fluorescens CHA0 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 $RsmE 'recombinant technology' . Escherichia coli . pET28a $RNA_(72-MER) 'in vitro transcription' . Phage T7 . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'segmentally labeled RNA, in which nucleotides 1to16 are labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(72-MER) 0.2 mM '[U-13C; U-15N], segmentally labeled' $RsmE 1.2 mM '[U-100% 15N; U-80% 2H]' 'sodium chloride' 0.03 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'segmentally labeled RNA, in which nucleotides 17to40 are labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(72-MER) 0.2 mM '[U-13C; U-15N], segmentally labeled' $RsmE 1.2 mM '[U-100% 15N; U-80% 2H]' 'sodium chloride' 0.03 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'segmentally labeled RNA, in which nucleotides 41to57 are labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(72-MER) 0.2 mM '[U-13C; U-15N], segmentally labeled' $RsmE 1.2 mM '[U-100% 15N; U-80% 2H]' 'sodium chloride' 0.03 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'segmentally labeled RNA, in which nucleotides 58to72 are labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(72-MER) 0.2 mM '[U-13C; U-15N], segmentally labeled' $RsmE 1.2 mM '[U-100% 15N; U-80% 2H]' 'sodium chloride' 0.03 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'segmentally labeled RNA, in which nucleotides 36-44 are labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(72-MER) 0.2 mM '[U-13C; U-15N], segmentally labeled' $RsmE 1.2 mM '[U-100% 15N; U-80% 2H]' 'sodium chloride' 0.03 mM 'natural abundance' 'potassium phosphate' 0.05 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_(72-MER) 0.2 mM 'natural abundance' $RsmE 1.2 mM '[U-100% 15N; U-80% 2H]' 'sodium chloride' 0.03 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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 900 _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-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_TROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_1 save_ save_2D_1H-13C_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_2 save_ save_2D_1H-13C_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_3 save_ save_2D_1H-13C_TROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_4 save_ save_2D_1H-13C_TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 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' 0.18 . M pH 7.2 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details ; We determined the structure of a multi-domain protein-RNA complex, which is simultaneously present in two conformations in solution. While we observe only one set of resonances for the atoms located on the isolated/rigid domains, some resonances at the connections between the different domains are appearing as two separated peaks, each belonging to one of the two conformations simultaneously present in solution (conformations, which are in slow exchange in respect to the NMR chemical shift timescale). However, we are not able to assign those peaks to a specific conformation. Because of this ambiguity, we have assigned the same chemical shift list (BMRB entry 19534) to both conformations that have a separate pdb code (2mf0 for conformer L and 2mf1 for conformer R). ; loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C TROSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RsmE, 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 2 2 G H1 H 12.617 0.02 1 2 2 2 G H1' H 5.795 0.02 1 3 2 2 G C1' C 91.914 0.1 1 4 2 2 G N1 N 147.374 0.1 1 5 3 3 U H3 H 14.333 0.02 1 6 3 3 U H5 H 5.108 0.02 1 7 3 3 U C5 C 102.941 0.1 1 8 3 3 U N3 N 162.811 0.1 1 9 4 4 C H5 H 5.571 0.02 1 10 4 4 C C5 C 98.276 0.1 1 11 5 5 G H8 H 7.446 0.02 1 12 5 5 G C8 C 137.097 0.1 1 13 6 6 A H1' H 6.374 0.02 1 14 6 6 A H2 H 8.429 0.02 1 15 6 6 A H8 H 8.182 0.02 1 16 6 6 A C1' C 91.380 0.1 1 17 6 6 A C2 C 156.070 0.1 1 18 6 6 A C8 C 139.319 0.1 1 19 7 7 C H1' H 5.533 0.02 1 20 7 7 C H5 H 5.812 0.02 1 21 7 7 C H6 H 7.608 0.02 1 22 7 7 C C1' C 92.345 0.1 1 23 7 7 C C5 C 97.849 0.1 1 24 7 7 C C6 C 143.783 0.1 1 25 8 8 G H1' H 5.425 0.02 1 26 8 8 G H8 H 7.909 0.02 1 27 8 8 G C1' C 93.055 0.1 1 28 8 8 G C8 C 139.296 0.1 1 29 9 9 G H1 H 11.510 0.02 1 30 9 9 G H1' H 5.755 0.02 1 31 9 9 G H8 H 8.613 0.02 1 32 9 9 G C1' C 88.585 0.1 1 33 9 9 G C8 C 141.706 0.1 1 34 9 9 G N1 N 145.840 0.1 1 35 10 10 A H1' H 6.532 0.02 1 36 10 10 A H2 H 8.628 0.02 1 37 10 10 A H8 H 8.971 0.02 1 38 10 10 A C1' C 89.934 0.1 1 39 10 10 A C2 C 156.991 0.1 1 40 10 10 A C8 C 141.975 0.1 1 41 11 11 U H1' H 5.860 0.02 1 42 11 11 U H5 H 5.937 0.02 1 43 11 11 U H6 H 7.777 0.02 1 44 11 11 U C1' C 92.163 0.1 1 45 11 11 U C5 C 105.179 0.1 1 46 11 11 U C6 C 144.196 0.1 1 47 12 12 A H1' H 4.880 0.02 1 48 12 12 A H2 H 8.309 0.02 1 49 12 12 A H8 H 8.153 0.02 1 50 12 12 A C1' C 92.310 0.1 1 51 12 12 A C2 C 154.589 0.1 1 52 12 12 A C8 C 140.731 0.1 1 53 13 13 G H1 H 11.957 0.02 1 54 13 13 G H8 H 6.691 0.02 1 55 13 13 G C8 C 136.273 0.1 1 56 13 13 G N1 N 145.992 0.1 1 57 14 14 A H1' H 5.959 0.02 1 58 14 14 A H2 H 7.694 0.02 1 59 14 14 A H8 H 7.857 0.02 1 60 14 14 A C1' C 93.270 0.1 1 61 14 14 A C2 C 153.797 0.1 1 62 14 14 A C8 C 139.818 0.1 1 63 16 16 A H1' H 5.939 0.02 1 64 16 16 A H2 H 7.441 0.02 1 65 16 16 A C1' C 91.902 0.1 1 66 16 16 A C2 C 154.353 0.1 1 67 18 18 A H2 H 8.081 0.02 1 68 18 18 A C2 C 155.064 0.1 1 69 21 21 C H6 H 7.663 0.02 1 70 21 21 C C6 C 143.546 0.1 1 71 22 22 A H2 H 7.240 0.02 1 72 22 22 A H8 H 7.846 0.02 1 73 22 22 A C2 C 152.877 0.1 1 74 22 22 A C8 C 139.619 0.1 1 75 23 23 U H3 H 14.049 0.02 1 76 23 23 U H6 H 7.384 0.02 1 77 23 23 U C6 C 141.263 0.1 1 78 23 23 U N3 N 162.662 0.1 1 79 24 24 C H1' H 5.379 0.02 1 80 24 24 C H5 H 5.527 0.02 1 81 24 24 C H6 H 7.510 0.02 1 82 24 24 C C1' C 94.679 0.1 1 83 24 24 C C5 C 98.314 0.1 1 84 24 24 C C6 C 140.637 0.1 1 85 25 25 A H1' H 6.288 0.02 1 86 25 25 A H2 H 7.517 0.02 1 87 25 25 A H8 H 8.006 0.02 1 88 25 25 A C1' C 92.454 0.1 1 89 25 25 A C2 C 154.437 0.1 1 90 25 25 A C8 C 139.492 0.1 1 91 26 26 A H1' H 5.714 0.02 1 92 26 26 A H2 H 8.090 0.02 1 93 26 26 A H8 H 8.181 0.02 1 94 26 26 A C1' C 90.569 0.1 1 95 26 26 A C2 C 155.492 0.1 1 96 26 26 A C8 C 142.394 0.1 1 97 27 27 G H8 H 8.045 0.02 1 98 27 27 G C8 C 139.458 0.1 1 99 28 28 G H1 H 11.449 0.02 1 100 28 28 G H1' H 5.748 0.02 1 101 28 28 G H8 H 8.593 0.02 1 102 28 28 G C1' C 88.359 0.1 1 103 28 28 G C8 C 141.685 0.1 1 104 28 28 G N1 N 146.315 0.1 1 105 29 29 A H1' H 6.435 0.02 1 106 29 29 A H2 H 8.532 0.02 1 107 29 29 A H8 H 9.188 0.02 1 108 29 29 A C1' C 90.928 0.1 1 109 29 29 A C2 C 156.960 0.1 1 110 29 29 A C8 C 142.165 0.1 1 111 30 30 C H1' H 5.916 0.02 1 112 30 30 C H5 H 6.021 0.02 1 113 30 30 C H6 H 7.665 0.02 1 114 30 30 C C1' C 90.560 0.1 1 115 30 30 C C5 C 99.161 0.1 1 116 30 30 C C6 C 143.623 0.1 1 117 31 31 G H1 H 12.095 0.02 1 118 31 31 G H8 H 7.053 0.02 1 119 31 31 G C8 C 136.093 0.1 1 120 31 31 G N1 N 146.719 0.1 1 121 32 32 A H1' H 6.042 0.02 1 122 32 32 A H2 H 7.742 0.02 1 123 32 32 A H8 H 7.704 0.02 1 124 32 32 A C1' C 93.475 0.1 1 125 32 32 A C2 C 153.444 0.1 1 126 32 32 A C8 C 139.868 0.1 1 127 33 33 U H3 H 13.429 0.02 1 128 33 33 U N3 N 162.365 0.1 1 129 34 34 G H1 H 11.971 0.02 1 130 34 34 G H1' H 5.803 0.02 1 131 34 34 G C1' C 93.100 0.1 1 132 34 34 G N1 N 147.433 0.1 1 133 35 35 G H1 H 13.440 0.02 1 134 35 35 G H1' H 5.729 0.02 1 135 35 35 G H8 H 7.245 0.02 1 136 35 35 G C1' C 92.806 0.1 1 137 35 35 G C8 C 136.297 0.1 1 138 35 35 G N1 N 148.713 0.1 1 139 36 36 U H5 H 5.365 0.02 1 140 36 36 U C5 C 104.589 0.1 1 141 38 38 A H1' H 6.075 0.015 9 142 38 38 A H2 H 8.540 0.019 9 143 38 38 A H8 H 8.460 0.016 9 144 38 38 A C1' C 88.573 0.071 9 145 38 38 A C2 C 156.189 0.033 9 146 38 38 A C8 C 142.138 0.010 9 147 39 39 G H8 H 8.200 0.002 1 148 39 39 G C8 C 140.151 0.013 1 149 40 40 G H1 H 11.488 0.02 1 150 40 40 G H1' H 5.770 0.02 1 151 40 40 G H8 H 8.503 0.004 1 152 40 40 G C1' C 88.652 0.1 1 153 40 40 G C8 C 140.982 0.012 1 154 40 40 G N1 N 146.380 0.1 1 155 41 41 A H1' H 6.306 0.02 9 156 41 41 A H2 H 8.494 0.02 9 157 41 41 A H8 H 9.244 0.015 1 158 41 41 A C1' C 90.567 0.1 9 159 41 41 A C2 C 156.607 0.1 9 160 41 41 A C8 C 142.651 0.006 1 161 42 42 C H5 H 5.809 0.02 1 162 42 42 C C5 C 98.859 0.1 1 163 43 43 A H2 H 8.090 0.019 1 164 43 43 A H8 H 8.272 0.02 1 165 43 43 A C2 C 154.730 0.065 1 166 43 43 A C8 C 141.423 0.1 1 167 45 45 C H1' H 5.465 0.02 1 168 45 45 C C1' C 94.532 0.1 1 169 46 46 G H1 H 12.791 0.02 1 170 46 46 G H1' H 5.591 0.02 1 171 46 46 G H8 H 7.528 0.02 1 172 46 46 G C1' C 93.701 0.1 1 173 46 46 G C8 C 136.543 0.1 1 174 46 46 G N1 N 147.194 0.1 1 175 47 47 C H1' H 5.448 0.02 1 176 47 47 C H6 H 7.675 0.02 1 177 47 47 C C1' C 94.729 0.1 1 178 47 47 C C6 C 143.300 0.1 1 179 48 48 A H1' H 6.244 0.02 1 180 48 48 A H2 H 8.391 0.02 1 181 48 48 A H8 H 8.543 0.02 1 182 48 48 A C1' C 91.067 0.1 1 183 48 48 A C2 C 156.203 0.1 1 184 48 48 A C8 C 141.211 0.1 1 185 49 49 G H1' H 5.230 0.02 1 186 49 49 G H8 H 7.815 0.02 1 187 49 49 G C1' C 92.406 0.1 1 188 49 49 G C8 C 140.141 0.1 1 189 50 50 G H1 H 11.450 0.02 1 190 50 50 G H1' H 5.770 0.02 1 191 50 50 G H8 H 8.461 0.02 1 192 50 50 G C1' C 88.652 0.1 1 193 50 50 G C8 C 140.977 0.1 1 194 50 50 G N1 N 146.178 0.1 1 195 51 51 A H1' H 6.475 0.02 1 196 51 51 A H2 H 8.516 0.02 1 197 51 51 A H3' H 5.061 0.02 1 198 51 51 A H8 H 9.045 0.02 1 199 51 51 A C1' C 90.539 0.1 1 200 51 51 A C2 C 156.623 0.1 1 201 51 51 A C3' C 76.422 0.1 1 202 51 51 A C8 C 141.967 0.1 1 203 52 52 A H1' H 6.040 0.02 1 204 52 52 A H2 H 8.281 0.02 1 205 52 52 A H8 H 8.307 0.02 1 206 52 52 A C1' C 90.559 0.1 1 207 52 52 A C2 C 155.756 0.1 1 208 52 52 A C8 C 142.304 0.1 1 209 53 53 G H1 H 13.148 0.02 1 210 53 53 G H8 H 7.491 0.02 1 211 53 53 G C8 C 136.604 0.1 1 212 53 53 G N1 N 148.306 0.1 1 213 54 54 C H1' H 5.670 0.02 1 214 54 54 C C1' C 93.549 0.1 1 215 55 55 G H1 H 12.206 0.02 9 216 55 55 G N1 N 146.832 0.1 9 217 56 56 A H2 H 7.981 0.02 1 218 56 56 A H8 H 7.867 0.02 1 219 56 56 A C2 C 154.497 0.1 1 220 56 56 A C8 C 140.165 0.1 1 221 59 59 C H1' H 5.628 0.02 1 222 59 59 C C1' C 94.558 0.1 1 223 60 60 A H2 H 7.377 0.02 1 224 60 60 A H8 H 7.976 0.02 1 225 60 60 A C2 C 153.280 0.1 1 226 60 60 A C8 C 139.910 0.1 1 227 61 61 U H1' H 5.417 0.02 1 228 61 61 U H3 H 14.045 0.027 1 229 61 61 U H6 H 7.361 0.02 1 230 61 61 U C1' C 93.613 0.1 1 231 61 61 U C6 C 141.043 0.1 1 232 61 61 U N3 N 162.162 0.204 1 233 62 62 C H1' H 5.259 0.02 1 234 62 62 C C1' C 95.252 0.1 1 235 63 63 A H1' H 6.172 0.02 1 236 63 63 A H2 H 8.080 0.02 1 237 63 63 A H8 H 8.308 0.02 1 238 63 63 A C1' C 91.631 0.1 1 239 63 63 A C2 C 155.630 0.1 1 240 63 63 A C8 C 142.350 0.1 1 241 64 64 G H1' H 5.264 0.02 1 242 64 64 G H8 H 7.518 0.02 1 243 64 64 G C1' C 92.833 0.1 1 244 64 64 G C8 C 139.465 0.1 1 245 65 65 G H1 H 11.460 0.034 1 246 65 65 G H1' H 5.763 0.02 1 247 65 65 G H8 H 8.384 0.02 1 248 65 65 G C1' C 88.611 0.1 1 249 65 65 G C8 C 141.070 0.1 1 250 65 65 G N1 N 146.045 0.154 1 251 66 66 A H1' H 6.440 0.004 1 252 66 66 A H2 H 8.457 0.02 1 253 66 66 A H8 H 9.100 0.02 1 254 66 66 A C1' C 90.876 0.036 1 255 66 66 A C2 C 156.804 0.1 1 256 66 66 A C8 C 142.345 0.1 1 257 67 67 C H1' H 5.855 0.02 1 258 67 67 C H5 H 6.019 0.02 1 259 67 67 C H6 H 7.669 0.02 1 260 67 67 C C1' C 92.606 0.1 1 261 67 67 C C5 C 99.626 0.1 1 262 67 67 C C6 C 143.958 0.1 1 263 68 68 G H1 H 12.110 0.005 1 264 68 68 G H8 H 6.974 0.02 1 265 68 68 G C8 C 135.451 0.1 1 266 68 68 G N1 N 147.037 0.251 1 267 69 69 A H1' H 5.980 0.02 1 268 69 69 A H2 H 7.793 0.02 1 269 69 69 A H8 H 7.780 0.02 1 270 69 69 A C1' C 93.579 0.1 1 271 69 69 A C2 C 153.853 0.1 1 272 69 69 A C8 C 140.487 0.1 1 273 70 70 U H1' H 5.674 0.02 1 274 70 70 U H3 H 13.757 0.02 1 275 70 70 U C1' C 92.557 0.1 1 276 70 70 U N3 N 162.695 0.1 1 277 71 71 G H1 H 11.827 0.02 1 278 71 71 G N1 N 146.134 0.1 1 279 72 72 A H2 H 7.842 0.02 1 280 72 72 A C2 C 155.512 0.1 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details ; We determined the structure of a multi-domain protein-RNA complex, which is simultaneously present in two conformations in solution. While we observe only one set of resonances for the atoms located on the isolated/rigid domains, some resonances at the connections between the different domains are appearing as two separated peaks, each belonging to one of the two conformations simultaneously present in solution (conformations, which are in slow exchange in respect to the NMR chemical shift timescale). However, we are not able to assign those peaks to a specific conformation. Because of this ambiguity, we have assigned the same chemical shift list (BMRB entry 19534) to both conformations that have a separate pdb code (2mf0 for conformer L and 2mf1 for conformer R). ; loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C TROSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RsmE, 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 38 38 A H1' H 6.037 0.009 9 2 38 38 A H2 H 8.248 0.013 9 3 38 38 A H8 H 8.405 0.02 9 4 38 38 A C1' C 90.457 0.006 9 5 38 38 A C2 C 155.178 0.1 9 6 38 38 A C8 C 144.035 0.1 9 7 41 41 A H1' H 6.418 0.02 9 8 41 41 A H2 H 8.142 0.02 9 9 41 41 A C1' C 91.464 0.1 9 10 41 41 A C2 C 155.587 0.1 9 11 55 55 G H1 H 12.091 0.02 9 12 55 55 G N1 N 146.691 0.1 9 stop_ save_