data_19549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(36-44)/RsmE(dimer) 2:1 complex ; _BMRB_accession_number 19549 _BMRB_flat_file_name bmr19549.str _Entry_type original _Submission_date 2013-10-11 _Accession_date 2013-10-11 _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 'Diarra Dit Konte' Nana . . 3 Michel Erich . . 4 Schubert Mario . . 5 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" 437 "13C chemical shifts" 274 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-02 update BMRB 'update entry citation' 2014-02-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19544 'RsmZ(SL1)/RsmE(dimer) 2:1 complex' 19546 'RsmZ(SL2)/RsmE(dimer) 2:1 complex' 19547 'RsmZ(SL3)/RsmE(dimer) 2:1 complex' 19548 'RsmZ(SL4)/RsmE(dimer) 2:1 complex' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24561806 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Duss Olivier . . 2 Michel Erich . . 3 'Diarra Dit Konte' Nana . . 4 Schubert Mario . . 5 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RsmZ(36-44)/RsmE(dimer) 2:1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RsmE_1 $RsmE RsmZ(36-44)_1 $RsmZ(36-44) RsmE_2 $RsmE RsmZ(36-44)_2 $RsmZ(36-44) 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 65 _Mol_residue_sequence ; MLILTRKVGESINIGDDITI TILGVSGQQVRIGINAPKDV AVHREEIYQRIQAGLTAPDK RETPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LEU 3 3 ILE 4 4 LEU 5 5 THR 6 6 ARG 7 7 LYS 8 8 VAL 9 9 GLY 10 10 GLU 11 11 SER 12 12 ILE 13 13 ASN 14 14 ILE 15 15 GLY 16 16 ASP 17 17 ASP 18 18 ILE 19 19 THR 20 20 ILE 21 21 THR 22 22 ILE 23 23 LEU 24 24 GLY 25 25 VAL 26 26 SER 27 27 GLY 28 28 GLN 29 29 GLN 30 30 VAL 31 31 ARG 32 32 ILE 33 33 GLY 34 34 ILE 35 35 ASN 36 36 ALA 37 37 PRO 38 38 LYS 39 39 ASP 40 40 VAL 41 41 ALA 42 42 VAL 43 43 HIS 44 44 ARG 45 45 GLU 46 46 GLU 47 47 ILE 48 48 TYR 49 49 GLN 50 50 ARG 51 51 ILE 52 52 GLN 53 53 ALA 54 54 GLY 55 55 LEU 56 56 THR 57 57 ALA 58 58 PRO 59 59 ASP 60 60 LYS 61 61 ARG 62 62 GLU 63 63 THR 64 64 PRO 65 65 HIS 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 2.92e-37 BMRB 19534 RsmE 90.77 59 100.00 100.00 4.36e-32 BMRB 19544 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 19546 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 19547 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 19548 RsmE 100.00 65 100.00 100.00 2.60e-37 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 2.92e-37 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 2.92e-37 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 2.92e-37 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 2.92e-37 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 2.92e-37 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 2.92e-37 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 2.92e-37 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 2.92e-37 DBJ BAO61455 "carbon storage regulator [Pseudomonas protegens Cab57]" 98.46 64 100.00 100.00 3.67e-36 DBJ BAQ73744 "translational regulator RsmE [Pseudomonas sp. Os17]" 98.46 64 98.44 100.00 1.41e-35 DBJ BAQ80031 "translational regulator RsmE [Pseudomonas sp. St29]" 98.46 64 98.44 100.00 1.41e-35 GB AAT27429 "translational repressor [Pseudomonas protegens]" 98.46 64 100.00 100.00 3.67e-36 GB AAY91370 "translational regulator RsmE [Pseudomonas protegens Pf-5]" 98.46 64 100.00 100.00 3.67e-36 GB AEL31265 "RsmE [Pseudomonas chlororaphis]" 98.46 64 100.00 100.00 3.67e-36 GB AGL83913 "carbon storage regulator [Pseudomonas protegens CHA0]" 98.46 77 100.00 100.00 2.65e-36 GB AIC19187 "carbon storage regulator CsrA [Pseudomonas chlororaphis]" 98.46 64 100.00 100.00 3.67e-36 REF WP_007920550 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 98.46 64 100.00 100.00 3.67e-36 REF WP_017337657 "MULTISPECIES: carbon storage regulator [Pseudomonas]" 92.31 63 100.00 100.00 1.10e-32 REF WP_045057924 "carbon storage regulator [Pseudomonas sp. ES3-33]" 92.31 63 100.00 100.00 1.02e-32 REF WP_057444113 "carbon storage regulator CsrA [Pseudomonas fluorescens]" 92.31 70 100.00 100.00 1.50e-32 stop_ save_ save_RsmZ(36-44) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RsmZ(36-44) _Molecular_mass 2855.787 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence UCAGGACAU loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 36 U 2 37 C 3 38 A 4 39 G 5 40 G 6 41 A 7 42 C 8 43 A 9 44 U 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 g-proteobacteria 294 Bacteria . Pseudomonas fluorescens CHA0 $RsmZ(36-44) g-proteobacteria 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 $RsmZ(36-44) 'in vitro transcription' . phage T7 . . 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 $RsmE 1 mM '[U-100% 15N]' $RsmZ(36-44) 1 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 15N]' $RsmZ(36-44) 1 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 13C; U-100% 15N]' $RsmZ(36-44) 1 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 13C; U-100% 15N]' $RsmZ(36-44) 1 mM 'natural abundance' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 15N]' $RsmZ(36-44) 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 15N]' $RsmZ(36-44) 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ 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 'chemical shift assignment' 'data analysis' stop_ _Details . save_ 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_ ######################### # 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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1Fe3Ff_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_6 save_ save_3D_1Fe3Ff_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _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 . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RsmE_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 MET HA H 4.060 0.000 1 2 1 1 MET HB2 H 1.887 0.007 2 3 1 1 MET HB3 H 1.887 0.007 2 4 1 1 MET HG2 H 2.312 0.006 2 5 1 1 MET HG3 H 2.312 0.006 2 6 1 1 MET HE H 1.881 0.003 1 7 1 1 MET CA C 55.564 0.000 1 8 1 1 MET CB C 34.816 0.189 1 9 1 1 MET CG C 30.777 0.043 1 10 1 1 MET CE C 17.295 0.024 1 11 2 2 LEU H H 8.398 0.004 1 12 2 2 LEU HA H 4.628 0.001 1 13 2 2 LEU HB2 H 1.399 0.006 2 14 2 2 LEU HB3 H 1.018 0.004 2 15 2 2 LEU HG H 0.917 0.003 1 16 2 2 LEU HD1 H -0.230 0.003 2 17 2 2 LEU HD2 H 0.585 0.040 2 18 2 2 LEU CA C 54.587 0.000 1 19 2 2 LEU CB C 42.584 0.067 1 20 2 2 LEU CG C 27.390 0.000 1 21 2 2 LEU CD1 C 25.933 0.099 2 22 2 2 LEU CD2 C 22.440 0.040 2 23 2 2 LEU N N 124.131 0.000 1 24 3 3 ILE H H 10.460 0.006 1 25 3 3 ILE HA H 5.008 0.004 1 26 3 3 ILE HB H 1.411 0.008 1 27 3 3 ILE HG12 H 1.325 0.005 2 28 3 3 ILE HG13 H 0.703 0.010 2 29 3 3 ILE HG2 H 0.484 0.006 1 30 3 3 ILE HD1 H 0.489 0.006 1 31 3 3 ILE CA C 60.327 0.022 1 32 3 3 ILE CB C 38.133 0.044 1 33 3 3 ILE CG1 C 27.654 0.058 1 34 3 3 ILE CG2 C 17.313 0.044 1 35 3 3 ILE CD1 C 13.327 0.027 1 36 3 3 ILE N N 130.553 0.061 1 37 4 4 LEU H H 8.905 0.001 1 38 4 4 LEU HA H 4.963 0.005 1 39 4 4 LEU HB2 H 1.295 0.008 2 40 4 4 LEU HB3 H 1.031 0.000 2 41 4 4 LEU HG H 1.164 0.004 1 42 4 4 LEU HD1 H 0.364 0.002 2 43 4 4 LEU HD2 H 0.276 0.009 2 44 4 4 LEU CA C 52.865 0.006 1 45 4 4 LEU CB C 46.677 0.000 1 46 4 4 LEU CG C 26.573 0.256 1 47 4 4 LEU CD1 C 26.196 0.000 2 48 4 4 LEU CD2 C 23.115 0.040 2 49 4 4 LEU N N 125.358 0.035 1 50 5 5 THR H H 9.479 0.002 1 51 5 5 THR HA H 5.488 0.000 1 52 5 5 THR HB H 3.993 0.000 1 53 5 5 THR HG2 H 1.035 0.004 1 54 5 5 THR CA C 60.717 0.000 1 55 5 5 THR CB C 69.781 0.000 1 56 5 5 THR CG2 C 21.678 0.000 1 57 5 5 THR N N 116.751 0.010 1 58 6 6 ARG H H 9.293 0.000 1 59 6 6 ARG HA H 4.989 0.000 1 60 6 6 ARG HB2 H 1.903 0.000 2 61 6 6 ARG HB3 H 1.661 0.000 2 62 6 6 ARG HD2 H 3.021 0.000 2 63 6 6 ARG HD3 H 2.955 0.000 2 64 6 6 ARG HE H 8.573 0.001 1 65 6 6 ARG CA C 55.266 0.000 1 66 6 6 ARG CB C 38.593 0.002 1 67 6 6 ARG CD C 45.562 0.015 1 68 6 6 ARG N N 124.665 0.000 1 69 6 6 ARG NE N 81.987 0.508 1 70 7 7 LYS H H 9.412 0.000 1 71 7 7 LYS HA H 5.102 0.000 1 72 7 7 LYS HB2 H 1.860 0.000 2 73 7 7 LYS HB3 H 1.458 0.000 2 74 7 7 LYS HG2 H 1.391 0.000 2 75 7 7 LYS HG3 H 1.359 0.000 2 76 7 7 LYS HD2 H 1.680 0.000 2 77 7 7 LYS HD3 H 1.614 0.000 2 78 7 7 LYS HE2 H 2.943 0.000 2 79 7 7 LYS HE3 H 2.943 0.000 2 80 7 7 LYS CA C 54.238 0.000 1 81 7 7 LYS CB C 34.302 0.010 1 82 7 7 LYS CG C 25.471 0.005 1 83 7 7 LYS CD C 29.478 0.026 1 84 7 7 LYS CE C 42.113 0.000 1 85 7 7 LYS N N 123.257 0.029 1 86 8 8 VAL H H 7.480 0.002 1 87 8 8 VAL HA H 3.277 0.000 1 88 8 8 VAL HB H 1.909 0.000 1 89 8 8 VAL HG1 H 0.977 0.000 2 90 8 8 VAL HG2 H 0.824 0.000 2 91 8 8 VAL CA C 65.940 0.000 1 92 8 8 VAL CB C 31.648 0.000 1 93 8 8 VAL CG1 C 23.172 0.000 2 94 8 8 VAL CG2 C 21.232 0.000 2 95 8 8 VAL N N 118.052 0.000 1 96 9 9 GLY H H 9.192 0.000 1 97 9 9 GLY HA2 H 3.595 0.000 2 98 9 9 GLY HA3 H 4.384 0.000 2 99 9 9 GLY CA C 44.555 0.011 1 100 9 9 GLY N N 115.983 0.000 1 101 10 10 GLU H H 8.294 0.000 1 102 10 10 GLU HA H 4.886 0.000 1 103 10 10 GLU HB2 H 2.543 0.000 2 104 10 10 GLU HB3 H 2.067 0.000 2 105 10 10 GLU HG2 H 2.173 0.000 2 106 10 10 GLU HG3 H 2.173 0.000 2 107 10 10 GLU CA C 55.870 0.000 1 108 10 10 GLU CB C 33.038 0.038 1 109 10 10 GLU CG C 37.621 0.000 1 110 10 10 GLU N N 119.194 0.000 1 111 11 11 SER H H 8.651 0.000 1 112 11 11 SER HA H 5.875 0.002 1 113 11 11 SER HB2 H 3.603 0.000 2 114 11 11 SER HB3 H 3.497 0.000 2 115 11 11 SER CA C 58.033 0.000 1 116 11 11 SER CB C 67.006 0.004 1 117 11 11 SER N N 112.576 0.000 1 118 12 12 ILE H H 9.266 0.000 1 119 12 12 ILE HA H 4.383 0.000 1 120 12 12 ILE HB H 1.284 0.000 1 121 12 12 ILE HG12 H 1.332 0.000 2 122 12 12 ILE HG13 H 0.564 0.000 2 123 12 12 ILE HG2 H 0.445 0.000 1 124 12 12 ILE HD1 H 0.537 0.000 1 125 12 12 ILE CA C 60.041 0.000 1 126 12 12 ILE CB C 42.818 0.000 1 127 12 12 ILE CG1 C 28.392 0.051 1 128 12 12 ILE CG2 C 17.251 0.000 1 129 12 12 ILE CD1 C 14.885 0.000 1 130 12 12 ILE N N 124.514 0.000 1 131 13 13 ASN H H 9.360 0.000 1 132 13 13 ASN HA H 4.991 0.000 1 133 13 13 ASN HB2 H 2.194 0.000 2 134 13 13 ASN HB3 H 1.879 0.000 2 135 13 13 ASN HD21 H 5.771 0.000 2 136 13 13 ASN HD22 H 6.500 0.000 2 137 13 13 ASN CA C 53.546 0.000 1 138 13 13 ASN CB C 41.558 0.004 1 139 13 13 ASN N N 126.280 0.000 1 140 13 13 ASN ND2 N 107.650 0.003 1 141 14 14 ILE H H 8.425 0.000 1 142 14 14 ILE HA H 4.439 0.000 1 143 14 14 ILE HB H 1.453 0.000 1 144 14 14 ILE HG12 H 1.295 0.000 2 145 14 14 ILE HG13 H 0.774 0.000 2 146 14 14 ILE HG2 H 0.624 0.000 1 147 14 14 ILE HD1 H 0.526 0.000 1 148 14 14 ILE CA C 60.646 0.000 1 149 14 14 ILE CB C 38.509 0.000 1 150 14 14 ILE CG1 C 27.594 0.012 1 151 14 14 ILE CG2 C 17.137 0.000 1 152 14 14 ILE CD1 C 14.129 0.000 1 153 14 14 ILE N N 123.986 0.000 1 154 15 15 GLY H H 9.067 0.000 1 155 15 15 GLY HA2 H 4.058 0.000 2 156 15 15 GLY HA3 H 3.937 0.000 2 157 15 15 GLY CA C 46.004 0.090 1 158 15 15 GLY N N 115.388 0.000 1 159 16 16 ASP H H 8.760 0.000 1 160 16 16 ASP HA H 4.958 0.000 1 161 16 16 ASP HB2 H 2.826 0.000 2 162 16 16 ASP HB3 H 2.503 0.000 2 163 16 16 ASP CA C 55.353 0.000 1 164 16 16 ASP CB C 42.388 0.017 1 165 16 16 ASP N N 120.794 0.000 1 166 17 17 ASP H H 8.159 0.000 1 167 17 17 ASP HA H 4.748 0.000 1 168 17 17 ASP HB2 H 2.691 0.000 2 169 17 17 ASP HB3 H 2.547 0.000 2 170 17 17 ASP CA C 54.200 0.000 1 171 17 17 ASP CB C 42.610 0.018 1 172 17 17 ASP N N 115.630 0.000 1 173 18 18 ILE H H 7.168 0.000 1 174 18 18 ILE HA H 5.229 0.000 1 175 18 18 ILE HB H 2.161 0.000 1 176 18 18 ILE HG12 H 1.761 0.000 2 177 18 18 ILE HG13 H 1.761 0.000 2 178 18 18 ILE HG2 H 0.623 0.000 1 179 18 18 ILE HD1 H 0.707 0.000 1 180 18 18 ILE CA C 60.093 0.000 1 181 18 18 ILE CB C 39.842 0.000 1 182 18 18 ILE CG1 C 27.506 0.000 1 183 18 18 ILE CG2 C 17.087 0.000 1 184 18 18 ILE CD1 C 14.146 0.000 1 185 18 18 ILE N N 118.662 0.000 1 186 19 19 THR H H 8.929 0.000 1 187 19 19 THR HA H 5.125 0.000 1 188 19 19 THR HB H 3.816 0.000 1 189 19 19 THR HG2 H 0.990 0.000 1 190 19 19 THR CA C 60.957 0.000 1 191 19 19 THR CB C 71.814 0.000 1 192 19 19 THR CG2 C 21.702 0.000 1 193 19 19 THR N N 122.951 0.000 1 194 20 20 ILE H H 8.933 0.000 1 195 20 20 ILE HA H 4.929 0.000 1 196 20 20 ILE HB H 1.596 0.000 1 197 20 20 ILE HG12 H 1.227 0.000 2 198 20 20 ILE HG13 H 0.925 0.000 2 199 20 20 ILE HG2 H 0.560 0.000 1 200 20 20 ILE HD1 H 0.522 0.000 1 201 20 20 ILE CA C 58.829 0.000 1 202 20 20 ILE CB C 40.386 0.000 1 203 20 20 ILE CG1 C 27.383 0.022 1 204 20 20 ILE CG2 C 17.367 0.000 1 205 20 20 ILE CD1 C 14.251 0.000 1 206 20 20 ILE N N 123.522 0.000 1 207 21 21 THR H H 9.395 0.000 1 208 21 21 THR HA H 4.830 0.000 1 209 21 21 THR HB H 3.334 0.000 1 210 21 21 THR HG2 H 0.817 0.000 1 211 21 21 THR CA C 61.581 0.000 1 212 21 21 THR CB C 72.037 0.000 1 213 21 21 THR CG2 C 21.225 0.000 1 214 21 21 THR N N 123.651 0.000 1 215 22 22 ILE H H 8.108 0.000 1 216 22 22 ILE HA H 4.061 0.000 1 217 22 22 ILE HB H 2.435 0.000 1 218 22 22 ILE HG12 H 1.550 0.000 2 219 22 22 ILE HG13 H 0.996 0.000 2 220 22 22 ILE HG2 H 0.662 0.000 1 221 22 22 ILE HD1 H 0.448 0.000 1 222 22 22 ILE CA C 59.160 0.000 1 223 22 22 ILE CB C 33.845 0.000 1 224 22 22 ILE CG1 C 26.898 0.095 1 225 22 22 ILE CG2 C 18.328 0.000 1 226 22 22 ILE CD1 C 8.885 0.000 1 227 22 22 ILE N N 125.699 0.000 1 228 23 23 LEU H H 8.756 0.000 1 229 23 23 LEU HA H 4.594 0.000 1 230 23 23 LEU HB2 H 1.396 0.011 2 231 23 23 LEU HB3 H 1.168 0.002 2 232 23 23 LEU HG H 1.397 0.000 1 233 23 23 LEU HD1 H 0.484 0.002 2 234 23 23 LEU HD2 H 0.417 0.003 2 235 23 23 LEU CA C 56.030 0.000 1 236 23 23 LEU CB C 42.217 0.069 1 237 23 23 LEU CG C 26.712 0.000 1 238 23 23 LEU CD1 C 26.384 0.047 2 239 23 23 LEU CD2 C 21.701 0.050 2 240 23 23 LEU N N 129.578 0.000 1 241 24 24 GLY H H 7.514 0.005 1 242 24 24 GLY HA2 H 4.119 0.000 2 243 24 24 GLY HA3 H 3.919 0.000 2 244 24 24 GLY CA C 45.970 0.072 1 245 24 24 GLY N N 104.272 0.000 1 246 25 25 VAL H H 8.395 0.000 1 247 25 25 VAL HA H 4.647 0.000 1 248 25 25 VAL HB H 1.744 0.000 1 249 25 25 VAL HG1 H 0.666 0.000 2 250 25 25 VAL HG2 H 0.756 0.000 2 251 25 25 VAL CA C 61.531 0.000 1 252 25 25 VAL CB C 35.904 0.000 1 253 25 25 VAL CG1 C 21.694 0.000 2 254 25 25 VAL CG2 C 22.067 0.000 2 255 25 25 VAL N N 120.134 0.000 1 256 26 26 SER H H 8.572 0.000 1 257 26 26 SER HA H 4.603 0.000 1 258 26 26 SER HB2 H 3.715 0.000 2 259 26 26 SER HB3 H 3.621 0.000 2 260 26 26 SER CA C 54.493 0.000 1 261 26 26 SER CB C 63.660 0.002 1 262 26 26 SER N N 121.285 0.000 1 263 27 27 GLY H H 9.023 0.000 1 264 27 27 GLY HA2 H 3.592 0.000 2 265 27 27 GLY HA3 H 3.945 0.000 2 266 27 27 GLY CA C 47.497 0.009 1 267 27 27 GLY N N 118.284 0.000 1 268 28 28 GLN H H 8.677 0.000 1 269 28 28 GLN HA H 4.279 0.004 1 270 28 28 GLN HB2 H 2.344 0.000 2 271 28 28 GLN HB3 H 1.932 0.000 2 272 28 28 GLN HG2 H 2.314 0.000 2 273 28 28 GLN HG3 H 2.282 0.000 2 274 28 28 GLN HE21 H 6.788 0.000 2 275 28 28 GLN HE22 H 7.385 0.000 2 276 28 28 GLN CA C 55.059 0.000 1 277 28 28 GLN CB C 29.318 0.007 1 278 28 28 GLN CG C 34.309 0.001 1 279 28 28 GLN N N 124.451 0.000 1 280 28 28 GLN NE2 N 112.466 0.050 1 281 29 29 GLN H H 8.008 0.003 1 282 29 29 GLN HA H 4.634 0.000 1 283 29 29 GLN HB2 H 2.006 0.000 2 284 29 29 GLN HB3 H 2.006 0.000 2 285 29 29 GLN HG2 H 2.197 0.000 2 286 29 29 GLN HG3 H 2.043 0.005 2 287 29 29 GLN HE21 H 6.832 0.000 2 288 29 29 GLN HE22 H 7.346 0.000 2 289 29 29 GLN CA C 55.294 0.000 1 290 29 29 GLN CB C 31.664 0.000 1 291 29 29 GLN CG C 34.723 0.009 1 292 29 29 GLN N N 117.498 0.040 1 293 29 29 GLN NE2 N 111.560 0.002 1 294 30 30 VAL H H 9.147 0.006 1 295 30 30 VAL HA H 4.529 0.000 1 296 30 30 VAL HB H 1.937 0.000 1 297 30 30 VAL HG1 H 0.890 0.000 2 298 30 30 VAL HG2 H 0.812 0.000 2 299 30 30 VAL CA C 60.568 0.000 1 300 30 30 VAL CB C 34.606 0.000 1 301 30 30 VAL CG1 C 22.578 0.000 2 302 30 30 VAL CG2 C 22.708 0.000 2 303 30 30 VAL N N 124.525 0.088 1 304 31 31 ARG H H 8.690 0.000 1 305 31 31 ARG HA H 4.637 0.000 1 306 31 31 ARG HB2 H 1.430 0.000 2 307 31 31 ARG HB3 H 1.406 0.008 2 308 31 31 ARG HG2 H 1.284 0.000 2 309 31 31 ARG HG3 H 1.138 0.000 2 310 31 31 ARG HD2 H 2.874 0.002 2 311 31 31 ARG HD3 H 2.874 0.002 2 312 31 31 ARG HE H 7.600 0.000 1 313 31 31 ARG CA C 55.501 0.000 1 314 31 31 ARG CB C 31.889 0.009 1 315 31 31 ARG CG C 28.625 0.059 1 316 31 31 ARG CD C 43.188 0.031 1 317 31 31 ARG N N 128.593 0.000 1 318 31 31 ARG NE N 83.298 0.000 1 319 32 32 ILE H H 9.114 0.000 1 320 32 32 ILE HA H 4.613 0.000 1 321 32 32 ILE HB H 1.578 0.000 1 322 32 32 ILE HG12 H 1.403 0.000 2 323 32 32 ILE HG13 H 0.767 0.000 2 324 32 32 ILE HG2 H 0.593 0.000 1 325 32 32 ILE HD1 H 0.516 0.000 1 326 32 32 ILE CA C 59.838 0.000 1 327 32 32 ILE CB C 41.183 0.000 1 328 32 32 ILE CG1 C 28.112 0.056 1 329 32 32 ILE CG2 C 18.265 0.000 1 330 32 32 ILE CD1 C 14.066 0.000 1 331 32 32 ILE N N 127.666 0.000 1 332 33 33 GLY H H 9.177 0.000 1 333 33 33 GLY HA2 H 3.545 0.000 2 334 33 33 GLY HA3 H 5.035 0.000 2 335 33 33 GLY CA C 44.730 0.010 1 336 33 33 GLY N N 112.830 0.000 1 337 34 34 ILE H H 9.637 0.000 1 338 34 34 ILE HA H 4.803 0.000 1 339 34 34 ILE HB H 1.549 0.000 1 340 34 34 ILE HG12 H 1.285 0.000 2 341 34 34 ILE HG13 H 0.798 0.000 2 342 34 34 ILE HG2 H 0.639 0.000 1 343 34 34 ILE HD1 H 0.588 0.000 1 344 34 34 ILE CA C 61.001 0.000 1 345 34 34 ILE CB C 41.080 0.000 1 346 34 34 ILE CG1 C 29.282 0.075 1 347 34 34 ILE CG2 C 19.351 0.000 1 348 34 34 ILE CD1 C 16.188 0.000 1 349 34 34 ILE N N 125.226 0.000 1 350 35 35 ASN H H 9.029 0.000 1 351 35 35 ASN HA H 5.094 0.000 1 352 35 35 ASN HB2 H 2.836 0.000 2 353 35 35 ASN HB3 H 2.554 0.000 2 354 35 35 ASN HD21 H 6.737 0.000 2 355 35 35 ASN HD22 H 7.320 0.000 2 356 35 35 ASN CA C 52.185 0.000 1 357 35 35 ASN CB C 40.108 0.075 1 358 35 35 ASN N N 129.590 0.000 1 359 35 35 ASN ND2 N 112.589 0.019 1 360 36 36 ALA H H 8.208 0.000 1 361 36 36 ALA HA H 5.063 0.000 1 362 36 36 ALA HB H 1.064 0.004 1 363 36 36 ALA CA C 49.365 0.000 1 364 36 36 ALA CB C 19.873 0.109 1 365 36 36 ALA N N 125.688 0.043 1 366 37 37 PRO HA H 4.415 0.000 1 367 37 37 PRO HB2 H 2.424 0.000 2 368 37 37 PRO HB3 H 2.075 0.000 2 369 37 37 PRO HG2 H 2.090 0.000 2 370 37 37 PRO HG3 H 1.936 0.000 2 371 37 37 PRO HD2 H 3.940 0.000 2 372 37 37 PRO HD3 H 3.059 0.000 2 373 37 37 PRO CA C 62.916 0.000 1 374 37 37 PRO CB C 32.477 0.037 1 375 37 37 PRO CG C 28.184 0.021 1 376 37 37 PRO CD C 50.408 0.000 1 377 38 38 LYS H H 8.550 0.004 1 378 38 38 LYS HA H 3.825 0.002 1 379 38 38 LYS HB2 H 1.706 0.002 2 380 38 38 LYS HG2 H 1.423 0.005 2 381 38 38 LYS HG3 H 1.400 0.000 2 382 38 38 LYS HD2 H 1.555 0.009 2 383 38 38 LYS HD3 H 1.541 0.020 2 384 38 38 LYS HE2 H 2.934 0.007 2 385 38 38 LYS HE3 H 2.934 0.007 2 386 38 38 LYS CA C 58.927 0.010 1 387 38 38 LYS CB C 32.014 0.021 1 388 38 38 LYS CG C 25.063 0.041 1 389 38 38 LYS CD C 28.366 0.164 1 390 38 38 LYS CE C 42.209 0.078 1 391 38 38 LYS N N 121.103 0.039 1 392 39 39 ASP H H 8.143 0.003 1 393 39 39 ASP HA H 4.374 0.000 1 394 39 39 ASP HB2 H 2.669 0.000 2 395 39 39 ASP HB3 H 2.552 0.000 2 396 39 39 ASP CA C 54.078 0.000 1 397 39 39 ASP CB C 39.822 0.004 1 398 39 39 ASP N N 113.829 0.019 1 399 40 40 VAL H H 8.020 0.002 1 400 40 40 VAL HA H 3.980 0.000 1 401 40 40 VAL HB H 2.070 0.007 1 402 40 40 VAL HG1 H 0.810 0.001 2 403 40 40 VAL HG2 H 0.664 0.003 2 404 40 40 VAL CA C 62.040 0.000 1 405 40 40 VAL CB C 31.928 0.020 1 406 40 40 VAL CG1 C 21.431 0.052 2 407 40 40 VAL CG2 C 21.188 0.174 2 408 40 40 VAL N N 122.624 0.024 1 409 41 41 ALA H H 8.897 0.000 1 410 41 41 ALA HA H 4.474 0.000 1 411 41 41 ALA HB H 1.324 0.003 1 412 41 41 ALA CA C 52.263 0.000 1 413 41 41 ALA CB C 19.155 0.044 1 414 41 41 ALA N N 133.718 0.000 1 415 42 42 VAL H H 7.847 0.002 1 416 42 42 VAL HA H 4.434 0.000 1 417 42 42 VAL HB H 1.201 0.000 1 418 42 42 VAL HG1 H 0.620 0.002 2 419 42 42 VAL HG2 H 0.388 0.009 2 420 42 42 VAL CA C 60.771 0.000 1 421 42 42 VAL CB C 33.599 0.000 1 422 42 42 VAL CG1 C 20.382 0.090 2 423 42 42 VAL CG2 C 22.173 0.000 2 424 42 42 VAL N N 125.194 0.075 1 425 43 43 HIS H H 8.644 0.005 1 426 43 43 HIS HA H 5.566 0.004 1 427 43 43 HIS HB2 H 3.335 0.000 2 428 43 43 HIS HB3 H 2.556 0.004 2 429 43 43 HIS HD2 H 6.969 0.003 1 430 43 43 HIS HE1 H 7.785 0.007 1 431 43 43 HIS CA C 53.931 0.000 1 432 43 43 HIS CB C 37.649 0.001 1 433 43 43 HIS CD2 C 117.176 0.108 1 434 43 43 HIS CE1 C 138.839 0.000 1 435 43 43 HIS N N 118.938 0.000 1 436 44 44 ARG H H 8.828 0.002 1 437 44 44 ARG HA H 3.970 0.001 1 438 44 44 ARG HD2 H 3.351 0.008 2 439 44 44 ARG HD3 H 3.351 0.008 2 440 44 44 ARG HE H 5.899 0.000 1 441 44 44 ARG CA C 58.580 0.000 1 442 44 44 ARG CD C 43.397 0.000 1 443 44 44 ARG N N 122.301 0.034 1 444 44 44 ARG NE N 81.832 0.000 1 445 45 45 GLU H H 7.895 0.003 1 446 45 45 GLU HA H 4.417 0.003 1 447 45 45 GLU HB2 H 1.971 0.000 2 448 45 45 GLU HB3 H 1.952 0.000 2 449 45 45 GLU HG2 H 2.394 0.000 2 450 45 45 GLU HG3 H 2.227 0.000 2 451 45 45 GLU CA C 59.945 0.031 1 452 45 45 GLU CB C 29.981 0.015 1 453 45 45 GLU CG C 35.906 0.000 1 454 45 45 GLU N N 126.010 0.000 1 455 46 46 GLU H H 10.765 0.000 1 456 46 46 GLU HA H 4.269 0.000 1 457 46 46 GLU HB2 H 2.269 0.000 2 458 46 46 GLU HB3 H 1.906 0.016 2 459 46 46 GLU HG2 H 2.585 0.000 2 460 46 46 GLU HG3 H 2.172 0.000 2 461 46 46 GLU CA C 58.726 0.000 1 462 46 46 GLU CB C 27.085 0.025 1 463 46 46 GLU CG C 35.057 0.050 1 464 46 46 GLU N N 118.177 0.000 1 465 47 47 ILE H H 7.197 0.004 1 466 47 47 ILE HA H 3.796 0.000 1 467 47 47 ILE HB H 2.251 0.000 1 468 47 47 ILE HG12 H 1.379 0.000 2 469 47 47 ILE HG13 H 1.269 0.000 2 470 47 47 ILE HG2 H 0.270 0.011 1 471 47 47 ILE HD1 H 0.543 0.007 1 472 47 47 ILE CA C 61.102 0.000 1 473 47 47 ILE CB C 35.713 0.000 1 474 47 47 ILE CG1 C 26.994 0.036 1 475 47 47 ILE CG2 C 16.669 0.000 1 476 47 47 ILE CD1 C 8.808 0.054 1 477 47 47 ILE N N 122.543 0.009 1 478 48 48 TYR H H 8.134 0.006 1 479 48 48 TYR HA H 3.655 0.000 1 480 48 48 TYR HB2 H 3.242 0.000 2 481 48 48 TYR HB3 H 2.759 0.001 2 482 48 48 TYR HD1 H 6.920 0.001 3 483 48 48 TYR HD2 H 6.920 0.001 3 484 48 48 TYR HE1 H 6.719 0.000 3 485 48 48 TYR HE2 H 6.719 0.000 3 486 48 48 TYR CA C 62.312 0.000 1 487 48 48 TYR CB C 39.249 0.053 1 488 48 48 TYR CD2 C 133.184 0.031 3 489 48 48 TYR CE2 C 118.582 0.000 3 490 48 48 TYR N N 122.234 0.037 1 491 49 49 GLN H H 8.658 0.000 1 492 49 49 GLN HA H 3.856 0.000 1 493 49 49 GLN HB2 H 2.035 0.000 2 494 49 49 GLN HB3 H 2.008 0.000 2 495 49 49 GLN HG2 H 2.610 0.000 2 496 49 49 GLN HG3 H 2.488 0.000 2 497 49 49 GLN HE21 H 6.735 0.000 2 498 49 49 GLN HE22 H 7.462 0.000 2 499 49 49 GLN CA C 58.599 0.000 1 500 49 49 GLN CB C 28.265 0.009 1 501 49 49 GLN CG C 33.939 0.009 1 502 49 49 GLN N N 115.293 0.000 1 503 49 49 GLN NE2 N 111.120 0.001 1 504 50 50 ARG H H 7.135 0.000 1 505 50 50 ARG HA H 3.983 0.000 1 506 50 50 ARG HB2 H 1.905 0.000 2 507 50 50 ARG HB3 H 1.861 0.000 2 508 50 50 ARG HG2 H 1.819 0.000 2 509 50 50 ARG HG3 H 1.587 0.000 2 510 50 50 ARG HD2 H 3.091 0.000 2 511 50 50 ARG HD3 H 3.051 0.000 2 512 50 50 ARG CA C 59.219 0.000 1 513 50 50 ARG CB C 30.367 0.024 1 514 50 50 ARG CG C 27.393 0.023 1 515 50 50 ARG CD C 44.001 0.003 1 516 50 50 ARG N N 120.188 0.000 1 517 51 51 ILE H H 7.897 0.000 1 518 51 51 ILE HA H 3.628 0.000 1 519 51 51 ILE HB H 1.608 0.000 1 520 51 51 ILE HG12 H 1.360 0.000 2 521 51 51 ILE HG13 H 0.750 0.000 2 522 51 51 ILE HG2 H 0.670 0.000 1 523 51 51 ILE HD1 H 0.295 0.000 1 524 51 51 ILE CA C 64.528 0.000 1 525 51 51 ILE CB C 38.019 0.000 1 526 51 51 ILE CG1 C 28.421 0.023 1 527 51 51 ILE CG2 C 16.837 0.000 1 528 51 51 ILE CD1 C 13.510 0.000 1 529 51 51 ILE N N 120.791 0.000 1 530 52 52 GLN H H 7.915 0.000 1 531 52 52 GLN HA H 3.808 0.000 1 532 52 52 GLN HB2 H 1.941 0.000 2 533 52 52 GLN HB3 H 1.758 0.000 2 534 52 52 GLN HG2 H 1.987 0.000 2 535 52 52 GLN HG3 H 1.886 0.000 2 536 52 52 GLN HE21 H 6.392 0.000 2 537 52 52 GLN HE22 H 6.739 0.000 2 538 52 52 GLN CA C 57.546 0.000 1 539 52 52 GLN CB C 28.215 0.002 1 540 52 52 GLN CG C 33.405 0.003 1 541 52 52 GLN N N 118.963 0.000 1 542 52 52 GLN NE2 N 112.759 0.034 1 543 53 53 ALA H H 7.558 0.000 1 544 53 53 ALA HA H 4.190 0.000 1 545 53 53 ALA HB H 1.398 0.000 1 546 53 53 ALA CA C 53.069 0.000 1 547 53 53 ALA CB C 18.757 0.000 1 548 53 53 ALA N N 120.242 0.000 1 549 54 54 GLY H H 7.714 0.000 1 550 54 54 GLY HA2 H 3.880 0.000 2 551 54 54 GLY HA3 H 3.853 0.000 2 552 54 54 GLY CA C 45.670 0.003 1 553 54 54 GLY N N 105.982 0.000 1 554 55 55 LEU H H 7.725 0.000 1 555 55 55 LEU HA H 4.320 0.000 1 556 55 55 LEU HB2 H 1.603 0.000 2 557 55 55 LEU HB3 H 1.521 0.000 2 558 55 55 LEU HG H 1.577 0.000 1 559 55 55 LEU HD1 H 0.830 0.000 2 560 55 55 LEU HD2 H 0.782 0.000 2 561 55 55 LEU CA C 55.352 0.000 1 562 55 55 LEU CB C 42.303 0.005 1 563 55 55 LEU CG C 26.866 0.000 1 564 55 55 LEU CD1 C 25.151 0.000 2 565 55 55 LEU CD2 C 22.936 0.000 2 566 55 55 LEU N N 120.632 0.000 1 567 56 56 THR H H 7.902 0.000 1 568 56 56 THR HA H 4.258 0.000 1 569 56 56 THR HB H 4.095 0.000 1 570 56 56 THR HG2 H 1.083 0.000 1 571 56 56 THR CA C 61.410 0.000 1 572 56 56 THR CB C 70.101 0.000 1 573 56 56 THR CG2 C 21.595 0.000 1 574 56 56 THR N N 113.330 0.000 1 575 57 57 ALA H H 8.050 0.000 1 576 57 57 ALA HA H 4.475 0.000 1 577 57 57 ALA HB H 1.270 0.000 1 578 57 57 ALA CA C 50.560 0.000 1 579 57 57 ALA CB C 18.502 0.000 1 580 57 57 ALA N N 127.054 0.000 1 581 58 58 PRO HA H 4.269 0.000 1 582 58 58 PRO HB2 H 2.186 0.000 2 583 58 58 PRO HB3 H 1.847 0.000 2 584 58 58 PRO HG2 H 1.923 0.000 2 585 58 58 PRO HG3 H 1.923 0.000 2 586 58 58 PRO HD2 H 3.650 0.000 2 587 58 58 PRO HD3 H 3.566 0.000 2 588 58 58 PRO CA C 63.723 0.000 1 589 58 58 PRO CB C 31.907 0.004 1 590 58 58 PRO CG C 27.272 0.000 1 591 58 58 PRO CD C 50.398 0.002 1 592 59 59 ASP H H 8.203 0.000 1 593 59 59 ASP HA H 4.466 0.000 1 594 59 59 ASP HB2 H 2.598 0.000 2 595 59 59 ASP HB3 H 2.598 0.000 2 596 59 59 ASP CA C 54.135 0.000 1 597 59 59 ASP CB C 40.959 0.000 1 598 59 59 ASP N N 118.243 0.000 1 599 60 60 LYS H H 8.071 0.000 1 600 60 60 LYS HA H 4.241 0.000 1 601 60 60 LYS HB2 H 1.786 0.000 2 602 60 60 LYS HB3 H 1.671 0.000 2 603 60 60 LYS HG2 H 1.339 0.000 2 604 60 60 LYS HG3 H 1.289 0.000 2 605 60 60 LYS HD2 H 1.568 0.000 2 606 60 60 LYS HD3 H 1.568 0.000 2 607 60 60 LYS HE2 H 2.896 0.000 2 608 60 60 LYS HE3 H 2.896 0.000 2 609 60 60 LYS CA C 56.099 0.000 1 610 60 60 LYS CB C 32.623 0.017 1 611 60 60 LYS CG C 24.650 0.018 1 612 60 60 LYS CD C 28.854 0.000 1 613 60 60 LYS CE C 42.230 0.000 1 614 60 60 LYS N N 121.441 0.000 1 615 61 61 ARG H H 7.926 0.000 1 616 61 61 ARG HA H 4.052 0.000 1 617 61 61 ARG HB2 H 1.676 0.000 2 618 61 61 ARG HB3 H 1.652 0.000 2 619 61 61 ARG HG2 H 1.476 0.000 2 620 61 61 ARG HG3 H 1.404 0.000 2 621 61 61 ARG HD2 H 2.996 0.000 2 622 61 61 ARG HD3 H 2.996 0.000 2 623 61 61 ARG CA C 56.519 0.000 1 624 61 61 ARG CB C 30.568 0.022 1 625 61 61 ARG CG C 27.020 0.011 1 626 61 61 ARG CD C 43.290 0.000 1 627 61 61 ARG N N 121.098 0.000 1 628 62 62 GLU H H 8.371 0.000 1 629 62 62 GLU HA H 4.167 0.000 1 630 62 62 GLU HB2 H 1.813 0.000 2 631 62 62 GLU HB3 H 1.754 0.000 2 632 62 62 GLU HG2 H 2.153 0.000 2 633 62 62 GLU HG3 H 2.127 0.000 2 634 62 62 GLU CA C 56.835 0.000 1 635 62 62 GLU CB C 30.017 0.017 1 636 62 62 GLU CG C 36.286 0.001 1 637 62 62 GLU N N 121.228 0.000 1 638 63 63 THR H H 7.837 0.000 1 639 63 63 THR HA H 4.159 0.000 1 640 63 63 THR HB H 4.124 0.000 1 641 63 63 THR HG2 H 1.051 0.000 1 642 63 63 THR CA C 62.064 0.000 1 643 63 63 THR CB C 69.578 0.000 1 644 63 63 THR CG2 C 21.640 0.000 1 645 63 63 THR N N 122.477 0.000 1 646 65 65 HIS HA H 4.341 0.000 1 647 65 65 HIS HB2 H 3.088 0.000 2 648 65 65 HIS HB3 H 2.942 0.000 2 649 65 65 HIS CA C 57.503 0.000 1 650 65 65 HIS CB C 30.994 0.065 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $sample_5 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RsmZ(36-44)_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 36 1 U H1' H 5.879 0.004 1 2 36 1 U H2' H 4.482 0.001 1 3 36 1 U H3' H 4.607 0.003 1 4 36 1 U H4' H 4.387 0.001 1 5 36 1 U H5 H 5.844 0.001 1 6 36 1 U H5' H 4.020 0.007 2 7 36 1 U H5'' H 3.945 0.002 2 8 36 1 U H6 H 8.007 0.002 1 9 36 1 U C1' C 90.855 0.052 1 10 36 1 U C2' C 75.691 0.014 1 11 36 1 U C3' C 77.109 0.008 1 12 36 1 U C4' C 86.127 0.009 1 13 36 1 U C5 C 105.273 0.062 1 14 36 1 U C5' C 66.039 0.064 1 15 36 1 U C6 C 144.420 0.000 1 16 37 2 C H1' H 5.978 0.003 1 17 37 2 C H2' H 4.396 0.001 1 18 37 2 C H3' H 4.668 0.004 1 19 37 2 C H4' H 4.449 0.006 1 20 37 2 C H5 H 6.071 0.006 1 21 37 2 C H5' H 4.291 0.001 2 22 37 2 C H5'' H 4.164 0.002 2 23 37 2 C H6 H 7.922 0.003 1 24 37 2 C C1' C 92.172 0.052 1 25 37 2 C C2' C 76.011 0.033 1 26 37 2 C C3' C 76.035 0.035 1 27 37 2 C C4' C 84.273 0.007 1 28 37 2 C C5 C 99.078 0.035 1 29 37 2 C C5' C 67.054 0.022 1 30 37 2 C C6 C 143.400 0.004 1 31 38 3 A H1' H 6.036 0.006 1 32 38 3 A H2 H 8.526 0.003 1 33 38 3 A H2' H 4.644 0.002 1 34 38 3 A H3' H 4.812 0.001 1 35 38 3 A H4' H 4.491 0.002 1 36 38 3 A H5'' H 4.162 0.025 2 37 38 3 A H8 H 8.448 0.004 1 38 38 3 A C1' C 88.647 0.029 1 39 38 3 A C2 C 156.187 0.021 1 40 38 3 A C2' C 77.752 0.017 1 41 38 3 A C3' C 77.806 0.044 1 42 38 3 A C4' C 86.198 0.026 1 43 38 3 A C5' C 68.374 0.090 1 44 38 3 A C8 C 142.092 0.006 1 45 39 4 G H1' H 5.520 0.007 1 46 39 4 G H2' H 4.354 0.003 1 47 39 4 G H3' H 4.746 0.003 1 48 39 4 G H4' H 4.210 0.005 1 49 39 4 G H5' H 4.387 0.004 2 50 39 4 G H5'' H 4.158 0.002 2 51 39 4 G H8 H 8.163 0.004 1 52 39 4 G C1' C 92.764 0.050 1 53 39 4 G C2' C 78.010 0.063 1 54 39 4 G C3' C 77.840 0.024 1 55 39 4 G C4' C 88.396 0.008 1 56 39 4 G C5' C 68.503 0.074 1 57 39 4 G C8 C 139.807 0.007 1 58 40 5 G H1 H 11.446 0.010 1 59 40 5 G H1' H 5.783 0.009 1 60 40 5 G H2' H 4.538 0.003 1 61 40 5 G H3' H 4.566 0.001 1 62 40 5 G H4' H 4.359 0.006 1 63 40 5 G H5' H 3.495 0.009 2 64 40 5 G H8 H 8.471 0.007 1 65 40 5 G C1' C 88.509 0.035 1 66 40 5 G C2' C 79.012 0.061 1 67 40 5 G C3' C 78.977 0.000 1 68 40 5 G C4' C 87.264 0.048 1 69 40 5 G C5' C 67.526 0.066 1 70 40 5 G C8 C 140.861 0.008 1 71 40 5 G N1 N 146.247 0.000 1 72 41 6 A H1' H 6.343 0.005 1 73 41 6 A H2 H 8.424 0.007 1 74 41 6 A H2' H 4.369 0.001 1 75 41 6 A H3' H 5.064 0.004 1 76 41 6 A H4' H 4.476 0.002 1 77 41 6 A H5' H 4.374 0.004 2 78 41 6 A H5'' H 4.260 0.005 2 79 41 6 A H8 H 9.163 0.007 1 80 41 6 A C1' C 90.562 0.066 1 81 41 6 A C2 C 156.548 0.005 1 82 41 6 A C2' C 77.865 0.017 1 83 41 6 A C3' C 75.165 0.008 1 84 41 6 A C4' C 82.475 0.051 1 85 41 6 A C5' C 68.429 0.052 1 86 41 6 A C8 C 142.471 0.027 1 87 42 7 C H1' H 5.539 0.009 1 88 42 7 C H2' H 4.086 0.007 1 89 42 7 C H3' H 4.204 0.005 1 90 42 7 C H4' H 4.089 0.006 1 91 42 7 C H5 H 5.810 0.004 1 92 42 7 C H5' H 4.237 0.002 2 93 42 7 C H5'' H 3.970 0.004 2 94 42 7 C H6 H 7.524 0.004 1 95 42 7 C C1' C 92.778 0.018 1 96 42 7 C C2' C 75.879 0.043 1 97 42 7 C C3' C 75.563 0.033 1 98 42 7 C C4' C 83.914 0.045 1 99 42 7 C C5 C 98.593 0.025 1 100 42 7 C C5' C 68.565 0.047 1 101 42 7 C C6 C 143.075 0.027 1 102 43 8 A H1' H 5.737 0.004 1 103 43 8 A H2 H 8.122 0.004 1 104 43 8 A H2' H 4.138 0.001 1 105 43 8 A H3' H 4.189 0.002 1 106 43 8 A H4' H 4.172 0.004 1 107 43 8 A H5' H 4.153 0.004 2 108 43 8 A H5'' H 4.039 0.001 2 109 43 8 A H8 H 8.247 0.005 1 110 43 8 A C1' C 91.597 0.013 1 111 43 8 A C2 C 155.523 0.031 1 112 43 8 A C2' C 76.674 0.027 1 113 43 8 A C3' C 71.742 0.016 1 114 43 8 A C4' C 85.336 0.017 1 115 43 8 A C5' C 66.612 0.089 1 116 43 8 A C8 C 141.331 0.018 1 117 44 9 U H1' H 5.904 0.005 1 118 44 9 U H2' H 4.616 0.006 1 119 44 9 U H3' H 4.546 0.002 1 120 44 9 U H4' H 4.314 0.001 1 121 44 9 U H5 H 5.523 0.004 1 122 44 9 U H5' H 4.206 0.002 2 123 44 9 U H5'' H 4.040 0.003 2 124 44 9 U H6 H 7.634 0.003 1 125 44 9 U C1' C 90.882 0.012 1 126 44 9 U C2' C 75.298 0.016 1 127 44 9 U C3' C 76.254 0.029 1 128 44 9 U C4' C 84.105 0.014 1 129 44 9 U C5 C 104.621 0.022 1 130 44 9 U C5' C 66.903 0.031 1 131 44 9 U C6 C 143.287 0.011 1 stop_ save_