data_19547 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL3)/RsmE(dimer) 2:1 complex ; _BMRB_accession_number 19547 _BMRB_flat_file_name bmr19547.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" 533 "13C chemical shifts" 346 "15N chemical shifts" 76 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' 19548 'RsmZ(SL4)/RsmE(dimer) 2:1 complex' 19549 'RsmZ(36-44)/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(SL3)/RsmE(dimer) 2:1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RsmE_1 $RsmE SL3(RsmZ)_1 $SL3(RsmZ) RsmE_2 $RsmE SL3(RsmZ)_2 $SL3(RsmZ) 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 2015-04-03 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 2.02e-37 BMRB 19534 RsmE 90.77 59 100.00 100.00 3.02e-32 BMRB 19544 RsmE 100.00 65 100.00 100.00 1.80e-37 BMRB 19546 RsmE 100.00 65 100.00 100.00 1.80e-37 BMRB 19548 RsmE 100.00 65 100.00 100.00 1.80e-37 BMRB 19549 RsmE 100.00 65 100.00 100.00 1.80e-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 2.02e-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 2.02e-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 2.02e-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 2.02e-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 2.02e-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 2.02e-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 2.02e-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 2.02e-37 DBJ BAO61455 "carbon storage regulator [Pseudomonas protegens Cab57]" 98.46 64 100.00 100.00 2.54e-36 DBJ BAQ73744 "translational regulator RsmE [Pseudomonas sp. Os17]" 98.46 64 98.44 100.00 9.78e-36 DBJ BAQ80031 "translational regulator RsmE [Pseudomonas sp. St29]" 98.46 64 98.44 100.00 9.78e-36 GB AAT27429 "translational repressor [Pseudomonas protegens]" 98.46 64 100.00 100.00 2.54e-36 GB AAY91370 "translational regulator RsmE [Pseudomonas protegens Pf-5]" 98.46 64 100.00 100.00 2.54e-36 GB AEL31265 "RsmE [Pseudomonas chlororaphis]" 98.46 64 100.00 100.00 2.54e-36 GB AGL83913 "carbon storage regulator [Pseudomonas protegens CHA0]" 98.46 77 100.00 100.00 1.84e-36 GB AIC19187 "carbon storage regulator CsrA [Pseudomonas chlororaphis]" 98.46 64 100.00 100.00 2.54e-36 REF WP_007920550 "MULTISPECIES: carbon storage regulator CsrA [Pseudomonas]" 98.46 64 100.00 100.00 2.54e-36 REF WP_017337657 "carbon storage regulator CsrA [Pseudomonas fluorescens]" 92.31 63 100.00 100.00 7.59e-33 REF WP_045057924 "carbon storage regulator CsrA [Pseudomonas sp. ES3-33]" 92.31 63 100.00 100.00 7.03e-33 stop_ save_ save_SL3(RsmZ) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common SL3(RsmZ) _Molecular_mass 6806.186 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; GGGAUCGCAGGAAGCGAUCC C ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 40 G 2 41 G 3 42 G 4 43 A 5 44 U 6 45 C 7 46 G 8 47 C 9 48 A 10 49 G 11 50 G 12 51 A 13 52 A 14 53 G 15 54 C 16 55 G 17 56 A 18 57 U 19 58 C 20 59 C 21 60 C 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 $SL3(RsmZ) 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 $SL3(RsmZ) '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]' $SL3(RsmZ) 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]' $SL3(RsmZ) 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]' $SL3(RsmZ) 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]' $SL3(RsmZ) 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]' $SL3(RsmZ) 1 mM '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' '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]' $SL3(RsmZ) 1 mM '[U-100% 13C; U-100% 15N]-Ade/Ura RNA' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 15N]' $SL3(RsmZ) 1 mM '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' '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_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RsmE 1 mM '[U-100% 15N]' $SL3(RsmZ) 1 mM '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' '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_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_8 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_6 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_8 save_ save_3D_1Fe3Ff_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _Sample_label $sample_6 save_ save_3D_1Fe3Ff_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _Sample_label $sample_8 save_ save_3D_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_6 save_ save_3D_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_8 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' '3D HCCH-TOCSY' '3D HNCA' '3D HNCACB' 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 3.977 0.005 1 2 1 1 MET HB2 H 1.895 0.016 2 3 1 1 MET HB3 H 1.963 0.013 2 4 1 1 MET HG2 H 2.213 0.007 2 5 1 1 MET HG3 H 2.106 0.011 2 6 1 1 MET HE H 1.639 0.020 1 7 1 1 MET CA C 55.548 0.074 1 8 1 1 MET CB C 34.725 0.064 1 9 1 1 MET CG C 30.854 0.121 1 10 1 1 MET CE C 16.825 0.038 1 11 2 2 LEU H H 8.415 0.013 1 12 2 2 LEU HA H 4.588 0.000 1 13 2 2 LEU HB2 H 1.391 0.015 2 14 2 2 LEU HB3 H 1.022 0.013 2 15 2 2 LEU HG H 0.785 0.016 1 16 2 2 LEU HD1 H -0.367 0.011 2 17 2 2 LEU HD2 H 0.337 0.014 2 18 2 2 LEU CA C 54.177 0.000 1 19 2 2 LEU CB C 42.383 0.074 1 20 2 2 LEU CG C 27.256 0.186 1 21 2 2 LEU CD1 C 25.454 0.063 2 22 2 2 LEU CD2 C 22.010 0.036 2 23 2 2 LEU N N 125.858 0.058 1 24 3 3 ILE H H 10.198 0.013 1 25 3 3 ILE HA H 4.853 0.025 1 26 3 3 ILE HB H 1.146 0.020 1 27 3 3 ILE HG2 H 0.572 0.011 1 28 3 3 ILE HD1 H 0.559 0.009 1 29 3 3 ILE CA C 60.319 0.050 1 30 3 3 ILE CB C 38.051 0.133 1 31 3 3 ILE CG2 C 16.858 0.033 1 32 3 3 ILE CD1 C 13.883 0.086 1 33 3 3 ILE N N 130.863 0.042 1 34 4 4 LEU H H 8.846 0.012 1 35 4 4 LEU HA H 4.543 0.000 1 36 4 4 LEU HB2 H 1.282 0.015 2 37 4 4 LEU HB3 H 0.838 0.016 2 38 4 4 LEU HG H 1.041 0.011 1 39 4 4 LEU HD1 H 0.280 0.013 2 40 4 4 LEU HD2 H 0.077 0.011 2 41 4 4 LEU CA C 52.407 0.000 1 42 4 4 LEU CB C 46.350 0.071 1 43 4 4 LEU CG C 26.457 0.025 1 44 4 4 LEU CD1 C 26.173 0.031 2 45 4 4 LEU CD2 C 23.427 0.053 2 46 4 4 LEU N N 123.561 0.058 1 47 5 5 THR H H 9.094 0.049 1 48 5 5 THR HA H 5.469 0.005 1 49 5 5 THR HB H 3.986 0.006 1 50 5 5 THR HG2 H 1.016 0.010 1 51 5 5 THR CA C 60.415 0.043 1 52 5 5 THR CB C 69.449 0.127 1 53 5 5 THR CG2 C 22.203 0.138 1 54 5 5 THR N N 123.256 0.000 1 55 6 6 ARG H H 9.161 0.017 1 56 6 6 ARG HA H 4.909 0.014 1 57 6 6 ARG HB2 H 1.860 0.022 2 58 6 6 ARG HB3 H 1.651 0.015 2 59 6 6 ARG HD2 H 2.960 0.007 2 60 6 6 ARG HD3 H 2.909 0.013 2 61 6 6 ARG HE H 8.646 0.011 1 62 6 6 ARG CA C 55.056 0.127 1 63 6 6 ARG CB C 38.720 0.093 1 64 6 6 ARG CD C 45.616 0.035 1 65 6 6 ARG N N 123.316 0.039 1 66 6 6 ARG NE N 82.716 0.096 1 67 7 7 LYS H H 9.295 0.004 1 68 7 7 LYS HA H 5.213 0.016 1 69 7 7 LYS HB2 H 1.833 0.006 2 70 7 7 LYS HB3 H 1.446 0.012 2 71 7 7 LYS HG2 H 1.449 0.007 2 72 7 7 LYS HG3 H 1.449 0.007 2 73 7 7 LYS HD2 H 1.796 0.009 2 74 7 7 LYS HD3 H 1.634 0.015 2 75 7 7 LYS HE2 H 2.957 0.014 2 76 7 7 LYS HE3 H 2.957 0.014 2 77 7 7 LYS CA C 54.024 0.042 1 78 7 7 LYS CB C 33.909 0.107 1 79 7 7 LYS CG C 25.001 0.072 1 80 7 7 LYS CD C 28.970 0.093 1 81 7 7 LYS CE C 41.343 0.322 1 82 7 7 LYS N N 122.466 0.015 1 83 8 8 VAL H H 7.576 0.017 1 84 8 8 VAL HA H 3.278 0.005 1 85 8 8 VAL HB H 1.943 0.006 1 86 8 8 VAL HG1 H 1.002 0.011 2 87 8 8 VAL HG2 H 0.877 0.027 2 88 8 8 VAL CA C 65.914 0.119 1 89 8 8 VAL CB C 31.589 0.096 1 90 8 8 VAL CG1 C 23.048 0.094 2 91 8 8 VAL CG2 C 21.151 0.015 2 92 8 8 VAL N N 118.123 0.087 1 93 9 9 GLY H H 9.255 0.005 1 94 9 9 GLY HA2 H 3.667 0.013 2 95 9 9 GLY HA3 H 4.430 0.001 2 96 9 9 GLY CA C 44.582 0.014 1 97 9 9 GLY N N 116.005 0.000 1 98 10 10 GLU H H 8.364 0.009 1 99 10 10 GLU HA H 4.882 0.014 1 100 10 10 GLU HB2 H 2.542 0.018 2 101 10 10 GLU HB3 H 2.036 0.004 2 102 10 10 GLU HG2 H 2.171 0.009 2 103 10 10 GLU HG3 H 2.171 0.009 2 104 10 10 GLU CA C 55.692 0.130 1 105 10 10 GLU CB C 32.583 0.125 1 106 10 10 GLU CG C 37.472 0.044 1 107 10 10 GLU N N 119.485 0.000 1 108 11 11 SER H H 8.620 0.007 1 109 11 11 SER HA H 5.866 0.009 1 110 11 11 SER HB2 H 3.594 0.017 2 111 11 11 SER HB3 H 3.495 0.011 2 112 11 11 SER CA C 57.942 0.115 1 113 11 11 SER CB C 67.035 0.059 1 114 11 11 SER N N 112.365 0.000 1 115 12 12 ILE H H 9.260 0.007 1 116 12 12 ILE HA H 4.342 0.012 1 117 12 12 ILE HB H 1.252 0.009 1 118 12 12 ILE HG12 H 1.312 0.013 2 119 12 12 ILE HG13 H 0.513 0.004 2 120 12 12 ILE HG2 H 0.396 0.002 1 121 12 12 ILE HD1 H 0.515 0.010 1 122 12 12 ILE CA C 59.899 0.115 1 123 12 12 ILE CB C 42.791 0.081 1 124 12 12 ILE CG1 C 28.190 0.055 1 125 12 12 ILE CG2 C 17.165 0.075 1 126 12 12 ILE CD1 C 14.550 0.435 1 127 12 12 ILE N N 124.398 0.053 1 128 13 13 ASN H H 9.364 0.014 1 129 13 13 ASN HA H 5.024 0.011 1 130 13 13 ASN HB2 H 2.205 0.008 2 131 13 13 ASN HB3 H 1.905 0.007 2 132 13 13 ASN HD21 H 5.812 0.007 2 133 13 13 ASN HD22 H 6.476 0.009 2 134 13 13 ASN CA C 53.319 0.066 1 135 13 13 ASN CB C 41.462 0.064 1 136 13 13 ASN N N 126.218 0.000 1 137 13 13 ASN ND2 N 107.561 0.020 1 138 14 14 ILE H H 8.451 0.012 1 139 14 14 ILE HA H 4.456 0.017 1 140 14 14 ILE HB H 1.437 0.005 1 141 14 14 ILE HG12 H 1.263 0.015 2 142 14 14 ILE HG13 H 0.751 0.005 2 143 14 14 ILE HG2 H 0.591 0.014 1 144 14 14 ILE HD1 H 0.512 0.004 1 145 14 14 ILE CA C 60.571 0.097 1 146 14 14 ILE CB C 38.524 0.046 1 147 14 14 ILE CG1 C 27.473 0.076 1 148 14 14 ILE CG2 C 17.012 0.037 1 149 14 14 ILE CD1 C 14.006 0.046 1 150 14 14 ILE N N 123.971 0.009 1 151 15 15 GLY H H 9.075 0.010 1 152 15 15 GLY HA2 H 4.040 0.004 2 153 15 15 GLY HA3 H 3.927 0.005 2 154 15 15 GLY CA C 46.060 0.072 1 155 15 15 GLY N N 115.306 0.034 1 156 16 16 ASP H H 8.713 0.008 1 157 16 16 ASP HA H 4.909 0.005 1 158 16 16 ASP HB2 H 2.801 0.009 2 159 16 16 ASP HB3 H 2.498 0.017 2 160 16 16 ASP CA C 55.357 0.043 1 161 16 16 ASP CB C 42.270 0.106 1 162 16 16 ASP N N 120.409 0.000 1 163 17 17 ASP H H 8.149 0.005 1 164 17 17 ASP HA H 4.729 0.007 1 165 17 17 ASP HB2 H 2.677 0.011 2 166 17 17 ASP HB3 H 2.539 0.007 2 167 17 17 ASP CA C 54.123 0.154 1 168 17 17 ASP CB C 42.518 0.092 1 169 17 17 ASP N N 115.565 0.005 1 170 18 18 ILE H H 7.181 0.004 1 171 18 18 ILE HA H 5.178 0.005 1 172 18 18 ILE HB H 2.180 0.005 1 173 18 18 ILE HG12 H 1.755 0.007 2 174 18 18 ILE HG2 H 0.602 0.011 1 175 18 18 ILE HD1 H 0.683 0.010 1 176 18 18 ILE CA C 60.154 0.080 1 177 18 18 ILE CB C 39.612 0.045 1 178 18 18 ILE CG1 C 27.349 0.044 1 179 18 18 ILE CG2 C 16.961 0.034 1 180 18 18 ILE CD1 C 14.095 0.015 1 181 18 18 ILE N N 118.660 0.000 1 182 19 19 THR H H 8.922 0.003 1 183 19 19 THR HA H 5.104 0.012 1 184 19 19 THR HB H 3.804 0.006 1 185 19 19 THR HG2 H 0.992 0.008 1 186 19 19 THR CA C 60.949 0.095 1 187 19 19 THR CB C 71.669 0.017 1 188 19 19 THR CG2 C 21.605 0.023 1 189 19 19 THR N N 122.893 0.023 1 190 20 20 ILE H H 8.930 0.006 1 191 20 20 ILE HA H 4.841 0.005 1 192 20 20 ILE HB H 1.572 0.012 1 193 20 20 ILE HG12 H 1.202 0.013 2 194 20 20 ILE HG13 H 0.875 0.011 2 195 20 20 ILE HG2 H 0.533 0.006 1 196 20 20 ILE HD1 H 0.518 0.007 1 197 20 20 ILE CA C 58.930 0.059 1 198 20 20 ILE CB C 40.300 0.033 1 199 20 20 ILE CG1 C 27.339 0.038 1 200 20 20 ILE CG2 C 17.146 0.052 1 201 20 20 ILE CD1 C 14.082 0.145 1 202 20 20 ILE N N 123.852 0.063 1 203 21 21 THR H H 9.372 0.008 1 204 21 21 THR HA H 4.821 0.007 1 205 21 21 THR HB H 3.260 0.015 1 206 21 21 THR HG2 H 0.809 0.010 1 207 21 21 THR CA C 61.436 0.099 1 208 21 21 THR CB C 71.939 0.027 1 209 21 21 THR CG2 C 21.135 0.050 1 210 21 21 THR N N 123.855 0.012 1 211 22 22 ILE H H 8.107 0.005 1 212 22 22 ILE HA H 4.092 0.009 1 213 22 22 ILE HB H 2.446 0.021 1 214 22 22 ILE HG12 H 1.525 0.011 2 215 22 22 ILE HG13 H 0.997 0.005 2 216 22 22 ILE HG2 H 0.693 0.003 1 217 22 22 ILE HD1 H 0.458 0.022 1 218 22 22 ILE CA C 59.103 0.065 1 219 22 22 ILE CB C 33.852 0.028 1 220 22 22 ILE CG1 C 26.682 0.105 1 221 22 22 ILE CG2 C 18.352 0.024 1 222 22 22 ILE CD1 C 8.867 0.024 1 223 22 22 ILE N N 125.561 0.015 1 224 23 23 LEU H H 8.910 0.007 1 225 23 23 LEU HA H 4.267 0.007 1 226 23 23 LEU HB2 H 1.386 0.007 2 227 23 23 LEU HB3 H 1.271 0.016 2 228 23 23 LEU HG H 1.375 0.011 1 229 23 23 LEU HD1 H 0.546 0.010 2 230 23 23 LEU HD2 H 0.116 0.007 2 231 23 23 LEU CA C 55.490 0.149 1 232 23 23 LEU CB C 42.233 0.094 1 233 23 23 LEU CG C 26.534 0.140 1 234 23 23 LEU CD1 C 25.950 0.085 2 235 23 23 LEU CD2 C 21.165 0.044 2 236 23 23 LEU N N 129.208 0.036 1 237 24 24 GLY H H 7.493 0.018 1 238 24 24 GLY HA2 H 4.134 0.008 2 239 24 24 GLY HA3 H 3.986 0.005 2 240 24 24 GLY CA C 45.968 0.053 1 241 24 24 GLY N N 104.396 0.028 1 242 25 25 VAL H H 8.406 0.009 1 243 25 25 VAL HA H 4.621 0.000 1 244 25 25 VAL HB H 1.766 0.004 1 245 25 25 VAL HG1 H 0.692 0.013 2 246 25 25 VAL HG2 H 0.754 0.013 2 247 25 25 VAL CA C 61.523 0.000 1 248 25 25 VAL CB C 35.733 0.105 1 249 25 25 VAL CG1 C 21.486 0.035 2 250 25 25 VAL CG2 C 21.952 0.046 2 251 25 25 VAL N N 120.463 0.020 1 252 26 26 SER H H 8.545 0.003 1 253 26 26 SER HA H 4.612 0.000 1 254 26 26 SER HB2 H 3.706 0.019 2 255 26 26 SER HB3 H 3.632 0.009 2 256 26 26 SER CA C 56.564 0.000 1 257 26 26 SER CB C 63.858 0.201 1 258 26 26 SER N N 121.835 0.012 1 259 27 27 GLY H H 8.714 0.015 1 260 27 27 GLY HA2 H 3.664 0.010 2 261 27 27 GLY HA3 H 4.084 0.005 2 262 27 27 GLY CA C 47.427 0.058 1 263 27 27 GLY N N 118.379 0.091 1 264 28 28 GLN H H 9.208 0.043 1 265 28 28 GLN HA H 4.289 0.006 1 266 28 28 GLN HB2 H 2.311 0.020 2 267 28 28 GLN HB3 H 1.996 0.010 2 268 28 28 GLN HG2 H 2.355 0.006 2 269 28 28 GLN HG3 H 2.355 0.006 2 270 28 28 GLN HE21 H 6.823 0.010 2 271 28 28 GLN HE22 H 7.666 0.006 2 272 28 28 GLN CA C 54.999 0.036 1 273 28 28 GLN CB C 29.944 0.157 1 274 28 28 GLN CG C 34.376 0.021 1 275 28 28 GLN N N 124.776 0.099 1 276 28 28 GLN NE2 N 113.227 0.069 1 277 29 29 GLN H H 8.423 0.019 1 278 29 29 GLN HA H 4.572 0.074 1 279 29 29 GLN HB2 H 2.202 0.011 2 280 29 29 GLN HB3 H 2.131 0.024 2 281 29 29 GLN HG2 H 2.308 0.005 2 282 29 29 GLN HG3 H 2.230 0.010 2 283 29 29 GLN CB C 31.386 0.202 1 284 29 29 GLN CG C 34.345 0.032 1 285 29 29 GLN N N 118.507 0.058 1 286 30 30 VAL H H 9.304 0.014 1 287 30 30 VAL HA H 4.556 0.029 1 288 30 30 VAL HB H 1.944 0.005 1 289 30 30 VAL HG1 H 0.894 0.009 2 290 30 30 VAL HG2 H 0.830 0.008 2 291 30 30 VAL CA C 60.611 0.000 1 292 30 30 VAL CB C 34.293 0.192 1 293 30 30 VAL CG1 C 22.557 0.049 2 294 30 30 VAL CG2 C 22.693 0.035 2 295 30 30 VAL N N 126.854 0.000 1 296 31 31 ARG H H 8.683 0.004 1 297 31 31 ARG HA H 4.609 0.000 1 298 31 31 ARG HB2 H 1.478 0.016 2 299 31 31 ARG HB3 H 1.439 0.010 2 300 31 31 ARG HG2 H 1.429 0.001 2 301 31 31 ARG HG3 H 1.525 0.000 2 302 31 31 ARG HD2 H 2.949 0.021 2 303 31 31 ARG HD3 H 3.090 0.000 2 304 31 31 ARG HE H 7.437 0.013 1 305 31 31 ARG CA C 55.568 0.000 1 306 31 31 ARG CB C 31.531 0.111 1 307 31 31 ARG CG C 28.419 0.025 1 308 31 31 ARG CD C 43.315 0.195 1 309 31 31 ARG N N 127.878 0.037 1 310 31 31 ARG NE N 82.194 0.083 1 311 32 32 ILE H H 8.958 0.019 1 312 32 32 ILE HB H 1.655 0.017 1 313 32 32 ILE HG12 H 1.363 0.017 2 314 32 32 ILE HG13 H 0.789 0.014 2 315 32 32 ILE HG2 H 0.553 0.009 1 316 32 32 ILE HD1 H 0.517 0.009 1 317 32 32 ILE CB C 40.655 0.101 1 318 32 32 ILE CG1 C 28.065 0.097 1 319 32 32 ILE CG2 C 18.210 0.195 1 320 32 32 ILE CD1 C 14.069 0.187 1 321 32 32 ILE N N 127.071 0.059 1 322 33 33 GLY H H 9.114 0.008 1 323 33 33 GLY HA2 H 5.032 0.009 2 324 33 33 GLY HA3 H 3.507 0.011 2 325 33 33 GLY CA C 44.575 0.039 1 326 33 33 GLY N N 112.801 0.019 1 327 34 34 ILE H H 9.566 0.015 1 328 34 34 ILE HA H 4.803 0.014 1 329 34 34 ILE HB H 1.463 0.010 1 330 34 34 ILE HG12 H 1.256 0.009 2 331 34 34 ILE HG13 H 0.767 0.010 2 332 34 34 ILE HG2 H 0.598 0.006 1 333 34 34 ILE HD1 H 0.532 0.020 1 334 34 34 ILE CA C 60.793 0.041 1 335 34 34 ILE CB C 41.099 0.060 1 336 34 34 ILE CG1 C 29.128 0.121 1 337 34 34 ILE CG2 C 18.724 0.100 1 338 34 34 ILE CD1 C 15.897 0.058 1 339 34 34 ILE N N 125.117 0.030 1 340 35 35 ASN H H 8.908 0.010 1 341 35 35 ASN HA H 5.079 0.004 1 342 35 35 ASN HB2 H 2.788 0.007 2 343 35 35 ASN HB3 H 2.535 0.008 2 344 35 35 ASN HD21 H 6.729 0.002 2 345 35 35 ASN HD22 H 7.324 0.001 2 346 35 35 ASN CA C 52.186 0.069 1 347 35 35 ASN CB C 40.316 0.116 1 348 35 35 ASN N N 129.274 0.065 1 349 35 35 ASN ND2 N 112.568 0.070 1 350 36 36 ALA H H 8.241 0.003 1 351 36 36 ALA HA H 5.062 0.006 1 352 36 36 ALA HB H 1.054 0.009 1 353 36 36 ALA CA C 49.349 0.000 1 354 36 36 ALA CB C 19.901 0.034 1 355 36 36 ALA N N 125.590 0.037 1 356 37 37 PRO HA H 4.405 0.004 1 357 37 37 PRO HB2 H 2.414 0.010 2 358 37 37 PRO HG2 H 2.080 0.012 2 359 37 37 PRO HG3 H 1.927 0.010 2 360 37 37 PRO HD2 H 3.940 0.011 2 361 37 37 PRO HD3 H 3.050 0.006 2 362 37 37 PRO CA C 62.896 0.000 1 363 37 37 PRO CB C 32.402 0.056 1 364 37 37 PRO CG C 28.036 0.103 1 365 37 37 PRO CD C 50.489 0.001 1 366 38 38 LYS H H 8.549 0.009 1 367 38 38 LYS HA H 3.763 0.007 1 368 38 38 LYS HB2 H 1.698 0.007 2 369 38 38 LYS HG2 H 1.420 0.011 2 370 38 38 LYS HG3 H 1.371 0.001 2 371 38 38 LYS HD2 H 1.541 0.008 2 372 38 38 LYS HD3 H 1.515 0.006 2 373 38 38 LYS HE2 H 2.911 0.009 2 374 38 38 LYS HE3 H 2.911 0.009 2 375 38 38 LYS CA C 58.832 0.088 1 376 38 38 LYS CB C 31.928 0.090 1 377 38 38 LYS CG C 25.016 0.109 1 378 38 38 LYS CD C 28.419 0.058 1 379 38 38 LYS CE C 42.007 0.013 1 380 38 38 LYS N N 120.951 0.000 1 381 39 39 ASP H H 8.126 0.010 1 382 39 39 ASP HA H 4.346 0.005 1 383 39 39 ASP HB2 H 2.639 0.023 2 384 39 39 ASP HB3 H 2.554 0.016 2 385 39 39 ASP CA C 54.069 0.034 1 386 39 39 ASP CB C 39.874 0.127 1 387 39 39 ASP N N 113.835 0.070 1 388 40 40 VAL H H 8.002 0.000 1 389 40 40 VAL HA H 3.962 0.004 1 390 40 40 VAL HB H 2.045 0.008 1 391 40 40 VAL HG1 H 0.795 0.009 2 392 40 40 VAL HG2 H 0.664 0.036 2 393 40 40 VAL CA C 61.925 0.026 1 394 40 40 VAL CB C 31.845 0.048 1 395 40 40 VAL CG1 C 21.243 0.030 2 396 40 40 VAL CG2 C 21.029 0.080 2 397 40 40 VAL N N 122.591 0.030 1 398 41 41 ALA H H 8.884 0.005 1 399 41 41 ALA HA H 4.438 0.004 1 400 41 41 ALA HB H 1.304 0.009 1 401 41 41 ALA CA C 52.191 0.000 1 402 41 41 ALA CB C 19.050 0.065 1 403 41 41 ALA N N 133.626 0.021 1 404 42 42 VAL H H 7.812 0.012 1 405 42 42 VAL HA H 4.402 0.018 1 406 42 42 VAL HB H 1.104 0.011 1 407 42 42 VAL HG1 H 0.572 0.012 2 408 42 42 VAL HG2 H 0.325 0.010 2 409 42 42 VAL CA C 60.561 0.037 1 410 42 42 VAL CB C 33.611 0.064 1 411 42 42 VAL CG1 C 20.192 0.042 2 412 42 42 VAL CG2 C 22.026 0.034 2 413 42 42 VAL N N 124.906 0.008 1 414 43 43 HIS H H 8.652 0.012 1 415 43 43 HIS HA H 5.459 0.012 1 416 43 43 HIS HB2 H 3.302 0.014 2 417 43 43 HIS HB3 H 2.551 0.010 2 418 43 43 HIS HD2 H 6.982 0.018 1 419 43 43 HIS HE1 H 7.778 0.008 1 420 43 43 HIS CA C 53.943 0.105 1 421 43 43 HIS CB C 37.380 0.130 1 422 43 43 HIS CD2 C 117.330 0.000 1 423 43 43 HIS CE1 C 138.989 0.000 1 424 43 43 HIS N N 119.082 0.033 1 425 44 44 ARG HA H 3.949 0.008 1 426 44 44 ARG HD2 H 3.309 0.005 2 427 44 44 ARG HD3 H 3.309 0.005 2 428 44 44 ARG HE H 5.844 0.000 1 429 44 44 ARG CA C 58.374 0.134 1 430 44 44 ARG CD C 43.114 0.097 1 431 45 45 GLU H H 7.873 0.010 1 432 45 45 GLU HA H 4.344 0.009 1 433 45 45 GLU HB2 H 1.932 0.016 2 434 45 45 GLU HB3 H 1.932 0.016 2 435 45 45 GLU HG2 H 2.335 0.061 2 436 45 45 GLU HG3 H 2.203 0.006 2 437 45 45 GLU CA C 59.920 0.136 1 438 45 45 GLU CB C 30.080 0.080 1 439 45 45 GLU CG C 35.744 0.105 1 440 45 45 GLU N N 126.045 0.039 1 441 46 46 GLU H H 10.810 0.013 1 442 46 46 GLU HA H 4.248 0.012 1 443 46 46 GLU HB2 H 2.223 0.009 2 444 46 46 GLU HB3 H 1.915 0.023 2 445 46 46 GLU HG2 H 2.554 0.006 2 446 46 46 GLU HG3 H 2.188 0.004 2 447 46 46 GLU CA C 58.767 0.117 1 448 46 46 GLU CB C 27.225 0.058 1 449 46 46 GLU CG C 35.099 0.057 1 450 46 46 GLU N N 118.418 0.034 1 451 47 47 ILE H H 7.221 0.011 1 452 47 47 ILE HA H 3.816 0.007 1 453 47 47 ILE HB H 2.220 0.014 1 454 47 47 ILE HG12 H 1.394 0.002 2 455 47 47 ILE HG13 H 1.275 0.040 2 456 47 47 ILE HG2 H 0.590 0.013 1 457 47 47 ILE HD1 H 0.549 0.006 1 458 47 47 ILE CA C 61.278 0.056 1 459 47 47 ILE CB C 35.483 0.138 1 460 47 47 ILE CG1 C 27.033 0.111 1 461 47 47 ILE CG2 C 17.017 0.000 1 462 47 47 ILE CD1 C 8.869 0.020 1 463 47 47 ILE N N 122.170 0.060 1 464 48 48 TYR H H 8.115 0.012 1 465 48 48 TYR HA H 3.653 0.008 1 466 48 48 TYR HB2 H 3.227 0.011 2 467 48 48 TYR HB3 H 2.769 0.008 2 468 48 48 TYR HD1 H 6.908 0.009 3 469 48 48 TYR HD2 H 6.908 0.009 3 470 48 48 TYR HE1 H 6.716 0.006 3 471 48 48 TYR HE2 H 6.716 0.006 3 472 48 48 TYR CA C 62.020 0.069 1 473 48 48 TYR CB C 39.050 0.086 1 474 48 48 TYR CD1 C 133.059 0.000 3 475 48 48 TYR CE1 C 118.325 0.000 3 476 48 48 TYR N N 122.213 0.050 1 477 49 49 GLN H H 8.602 0.014 1 478 49 49 GLN HA H 3.846 0.008 1 479 49 49 GLN HB2 H 2.015 0.009 2 480 49 49 GLN HG2 H 2.486 0.016 2 481 49 49 GLN HG3 H 2.601 0.007 2 482 49 49 GLN HE21 H 6.740 0.005 2 483 49 49 GLN HE22 H 7.479 0.005 2 484 49 49 GLN CA C 58.445 0.027 1 485 49 49 GLN CB C 28.192 0.046 1 486 49 49 GLN CG C 33.841 0.089 1 487 49 49 GLN N N 115.426 0.000 1 488 49 49 GLN NE2 N 111.186 0.024 1 489 50 50 ARG H H 7.171 0.006 1 490 50 50 ARG HA H 3.990 0.005 1 491 50 50 ARG HB2 H 1.874 0.009 2 492 50 50 ARG HB3 H 1.809 0.005 2 493 50 50 ARG HG2 H 1.793 0.004 2 494 50 50 ARG HG3 H 1.582 0.005 2 495 50 50 ARG HD2 H 3.119 0.024 2 496 50 50 ARG HD3 H 3.079 0.015 2 497 50 50 ARG CA C 59.013 0.070 1 498 50 50 ARG CB C 30.293 0.090 1 499 50 50 ARG CG C 27.336 0.208 1 500 50 50 ARG CD C 43.801 0.084 1 501 50 50 ARG N N 120.058 0.058 1 502 51 51 ILE H H 7.893 0.006 1 503 51 51 ILE HA H 3.629 0.005 1 504 51 51 ILE HB H 1.600 0.011 1 505 51 51 ILE HG12 H 1.359 0.012 2 506 51 51 ILE HG13 H 0.857 0.180 2 507 51 51 ILE HG2 H 0.663 0.009 1 508 51 51 ILE HD1 H 0.310 0.009 1 509 51 51 ILE CA C 64.305 0.092 1 510 51 51 ILE CB C 37.943 0.046 1 511 51 51 ILE CG1 C 28.308 0.109 1 512 51 51 ILE CG2 C 16.740 0.038 1 513 51 51 ILE CD1 C 13.214 0.069 1 514 51 51 ILE N N 120.766 0.083 1 515 52 52 GLN H H 7.907 0.011 1 516 52 52 GLN HA H 3.822 0.008 1 517 52 52 GLN HB2 H 1.931 0.012 2 518 52 52 GLN HB3 H 1.749 0.005 2 519 52 52 GLN HG2 H 1.966 0.010 2 520 52 52 GLN HG3 H 1.886 0.013 2 521 52 52 GLN HE21 H 6.450 0.010 2 522 52 52 GLN HE22 H 6.726 0.007 2 523 52 52 GLN CA C 57.428 0.105 1 524 52 52 GLN CB C 28.280 0.130 1 525 52 52 GLN CG C 33.347 0.030 1 526 52 52 GLN N N 119.013 0.050 1 527 52 52 GLN NE2 N 112.722 0.041 1 528 53 53 ALA H H 7.592 0.019 1 529 53 53 ALA HA H 4.186 0.014 1 530 53 53 ALA HB H 1.393 0.005 1 531 53 53 ALA CA C 53.157 0.110 1 532 53 53 ALA CB C 18.644 0.046 1 533 53 53 ALA N N 120.605 0.036 1 534 54 54 GLY H H 7.720 0.002 1 535 54 54 GLY HA2 H 3.896 0.002 2 536 54 54 GLY HA3 H 3.877 0.007 2 537 54 54 GLY CA C 45.622 0.049 1 538 54 54 GLY N N 105.866 0.083 1 539 55 55 LEU H H 7.697 0.006 1 540 55 55 LEU HA H 4.326 0.010 1 541 55 55 LEU HB2 H 1.610 0.014 2 542 55 55 LEU HB3 H 1.546 0.029 2 543 55 55 LEU HG H 1.589 0.004 1 544 55 55 LEU HD1 H 0.820 0.012 2 545 55 55 LEU HD2 H 0.790 0.009 2 546 55 55 LEU CA C 55.105 0.161 1 547 55 55 LEU CB C 42.247 0.025 1 548 55 55 LEU CG C 26.916 0.198 1 549 55 55 LEU CD1 C 25.054 0.023 2 550 55 55 LEU CD2 C 23.399 0.897 2 551 55 55 LEU N N 120.773 0.041 1 552 56 56 THR H H 7.743 0.015 1 553 56 56 THR HA H 4.253 0.003 1 554 56 56 THR HB H 4.120 0.007 1 555 56 56 THR HG2 H 1.119 0.005 1 556 56 56 THR CA C 61.320 0.168 1 557 56 56 THR CB C 69.885 0.050 1 558 56 56 THR CG2 C 21.531 0.056 1 559 56 56 THR N N 113.079 0.036 1 560 57 57 ALA H H 8.072 0.015 1 561 57 57 ALA HA H 4.503 0.007 1 562 57 57 ALA HB H 1.305 0.009 1 563 57 57 ALA CA C 50.569 0.044 1 564 57 57 ALA CB C 18.294 0.000 1 565 57 57 ALA N N 127.233 0.036 1 566 58 58 PRO HA H 4.314 0.004 1 567 58 58 PRO HB2 H 2.208 0.010 2 568 58 58 PRO HB3 H 1.863 0.007 2 569 58 58 PRO HG2 H 1.938 0.001 2 570 58 58 PRO HG3 H 1.938 0.001 2 571 58 58 PRO HD2 H 3.671 0.020 2 572 58 58 PRO HD3 H 3.605 0.025 2 573 58 58 PRO CA C 63.364 0.047 1 574 58 58 PRO CB C 31.856 0.125 1 575 58 58 PRO CG C 27.284 0.033 1 576 58 58 PRO CD C 50.372 0.028 1 577 59 59 ASP H H 8.237 0.001 1 578 59 59 ASP HA H 4.488 0.004 1 579 59 59 ASP HB2 H 2.616 0.006 2 580 59 59 ASP HB3 H 2.589 0.019 2 581 59 59 ASP CA C 54.082 0.173 1 582 59 59 ASP CB C 41.029 0.025 1 583 59 59 ASP N N 119.224 0.018 1 584 60 60 LYS H H 8.048 0.004 1 585 60 60 LYS HA H 4.266 0.007 1 586 60 60 LYS HB2 H 1.809 0.009 2 587 60 60 LYS HB3 H 1.694 0.004 2 588 60 60 LYS HG2 H 1.384 0.008 2 589 60 60 LYS HG3 H 1.344 0.008 2 590 60 60 LYS HD2 H 1.615 0.012 2 591 60 60 LYS HD3 H 1.615 0.012 2 592 60 60 LYS HE2 H 2.936 0.005 2 593 60 60 LYS HE3 H 2.936 0.005 2 594 60 60 LYS CA C 56.076 0.088 1 595 60 60 LYS CB C 32.671 0.004 1 596 60 60 LYS CG C 24.683 0.081 1 597 60 60 LYS CD C 28.897 0.046 1 598 60 60 LYS CE C 41.969 0.163 1 599 60 60 LYS N N 121.558 0.044 1 600 61 61 ARG H H 8.176 0.011 1 601 61 61 ARG HA H 4.251 0.002 1 602 61 61 ARG HB2 H 1.784 0.010 2 603 61 61 ARG HB3 H 1.743 0.019 2 604 61 61 ARG HG2 H 1.578 0.005 2 605 61 61 ARG HG3 H 1.578 0.005 2 606 61 61 ARG HD2 H 3.131 0.003 2 607 61 61 ARG HD3 H 3.131 0.003 2 608 61 61 ARG CA C 56.116 0.012 1 609 61 61 ARG CB C 30.696 0.114 1 610 61 61 ARG CG C 27.072 0.140 1 611 61 61 ARG CD C 43.237 0.181 1 612 61 61 ARG N N 121.771 0.000 1 613 62 62 GLU H H 8.319 0.004 1 614 62 62 GLU HA H 4.300 0.004 1 615 62 62 GLU HB2 H 1.981 0.009 2 616 62 62 GLU HB3 H 1.877 0.000 2 617 62 62 GLU HG2 H 2.202 0.010 2 618 62 62 GLU HG3 H 2.168 0.010 2 619 62 62 GLU CA C 56.277 0.027 1 620 62 62 GLU CB C 30.511 0.100 1 621 62 62 GLU CG C 36.128 0.100 1 622 62 62 GLU N N 121.719 0.000 1 623 63 63 THR H H 8.119 0.000 1 624 63 63 THR HA H 4.527 0.000 1 625 63 63 THR HB H 4.071 0.011 1 626 63 63 THR HG2 H 1.143 0.002 1 627 63 63 THR CA C 59.536 0.000 1 628 63 63 THR CB C 69.651 0.035 1 629 63 63 THR CG2 C 21.298 0.151 1 630 63 63 THR N N 117.473 0.000 1 631 64 64 PRO HA H 4.319 0.004 1 632 64 64 PRO HB2 H 2.159 0.006 2 633 64 64 PRO HB3 H 1.664 0.003 2 634 64 64 PRO HG2 H 1.866 0.009 2 635 64 64 PRO HG3 H 1.866 0.009 2 636 64 64 PRO HD2 H 3.596 0.004 2 637 64 64 PRO HD3 H 3.741 0.012 2 638 64 64 PRO CA C 63.231 0.143 1 639 64 64 PRO CB C 31.886 0.121 1 640 64 64 PRO CG C 27.248 0.034 1 641 64 64 PRO CD C 50.863 0.093 1 642 65 65 HIS HA H 4.347 0.000 1 643 65 65 HIS HB2 H 3.097 0.000 2 644 65 65 HIS HB3 H 2.938 0.016 2 645 65 65 HIS CA C 57.459 0.000 1 646 65 65 HIS CB C 30.910 0.055 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' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_7 $sample_6 $sample_8 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SL3(RsmZ)_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 40 1 G H1 H 12.478 0.000 1 2 40 1 G H1' H 5.799 0.005 1 3 40 1 G H2' H 4.866 0.014 1 4 40 1 G H3' H 4.663 0.008 1 5 40 1 G H4' H 4.534 0.002 1 6 40 1 G H5' H 4.436 0.051 2 7 40 1 G H5'' H 4.187 0.071 2 8 40 1 G H8 H 8.110 0.016 1 9 40 1 G C1' C 91.822 0.049 1 10 40 1 G C2' C 75.244 0.030 1 11 40 1 G C3' C 74.520 0.028 1 12 40 1 G C4' C 83.313 0.071 1 13 40 1 G C5' C 66.880 0.102 1 14 40 1 G C8 C 139.093 0.000 1 15 40 1 G N1 N 147.640 0.000 1 16 41 2 G H1 H 12.615 0.010 1 17 41 2 G H1' H 5.899 0.024 1 18 41 2 G H2' H 4.686 0.007 1 19 41 2 G H3' H 4.561 0.013 1 20 41 2 G H4' H 4.512 0.015 1 21 41 2 G H5' H 4.490 0.004 2 22 41 2 G H5'' H 4.210 0.014 2 23 41 2 G H8 H 7.517 0.015 1 24 41 2 G C1' C 92.767 0.015 1 25 41 2 G C2' C 75.615 0.061 1 26 41 2 G C3' C 73.048 0.047 1 27 41 2 G C4' C 82.261 0.021 1 28 41 2 G C5' C 65.961 0.055 1 29 41 2 G C8 C 136.620 0.000 1 30 41 2 G N1 N 147.562 0.000 1 31 42 3 G H1 H 12.251 0.004 1 32 42 3 G H1' H 5.759 0.005 1 33 42 3 G H2' H 4.646 0.010 1 34 42 3 G H3' H 4.474 0.015 1 35 42 3 G H4' H 4.506 0.011 1 36 42 3 G H5' H 4.461 0.006 2 37 42 3 G H5'' H 4.088 0.004 2 38 42 3 G H8 H 7.135 0.004 1 39 42 3 G C1' C 93.041 0.070 1 40 42 3 G C2' C 75.461 0.032 1 41 42 3 G C3' C 73.145 0.039 1 42 42 3 G C4' C 82.196 0.028 1 43 42 3 G C5' C 65.875 0.053 1 44 42 3 G C8 C 136.008 0.043 1 45 42 3 G N1 N 147.279 0.000 1 46 43 4 A H1' H 5.974 0.009 1 47 43 4 A H2 H 7.794 0.011 1 48 43 4 A H2' H 4.530 0.012 1 49 43 4 A H3' H 4.545 0.006 1 50 43 4 A H4' H 4.489 0.005 1 51 43 4 A H5' H 4.529 0.000 2 52 43 4 A H5'' H 4.121 0.005 2 53 43 4 A H8 H 7.657 0.012 1 54 43 4 A C1' C 93.195 0.080 1 55 43 4 A C2 C 153.921 0.023 1 56 43 4 A C2' C 75.726 0.027 1 57 43 4 A C3' C 72.669 0.030 1 58 43 4 A C4' C 82.118 0.053 1 59 43 4 A C5' C 64.907 0.072 1 60 43 4 A C8 C 139.309 0.102 1 61 44 5 U H1' H 5.434 0.009 1 62 44 5 U H2' H 4.480 0.005 1 63 44 5 U H3 H 13.923 0.004 1 64 44 5 U H3' H 4.403 0.004 1 65 44 5 U H4' H 4.346 0.008 1 66 44 5 U H5 H 5.032 0.007 1 67 44 5 U H5' H 4.503 0.000 2 68 44 5 U H5'' H 4.072 0.016 2 69 44 5 U H6 H 7.276 0.011 1 70 44 5 U C1' C 93.035 0.086 1 71 44 5 U C2' C 75.859 0.079 1 72 44 5 U C3' C 72.540 0.064 1 73 44 5 U C4' C 82.133 0.050 1 74 44 5 U C5 C 102.873 0.051 1 75 44 5 U C5' C 64.692 0.012 1 76 44 5 U C6 C 141.048 0.123 1 77 44 5 U N3 N 162.449 0.000 1 78 45 6 C H1' H 5.429 0.019 1 79 45 6 C H2' H 4.590 0.007 1 80 45 6 C H3' H 4.179 0.016 1 81 45 6 C H4' H 4.513 0.004 1 82 45 6 C H5 H 5.499 0.042 1 83 45 6 C H5'' H 4.128 0.012 2 84 45 6 C H6 H 7.636 0.047 1 85 45 6 C H41 H 8.343 0.000 2 86 45 6 C H42 H 6.600 0.000 2 87 45 6 C C1' C 94.322 0.062 1 88 45 6 C C2' C 75.296 0.055 1 89 45 6 C C3' C 73.831 0.039 1 90 45 6 C C4' C 82.102 0.034 1 91 45 6 C C5 C 98.342 0.239 1 92 45 6 C C5' C 67.102 0.089 1 93 45 6 C C6 C 141.148 0.000 1 94 46 7 G H1 H 12.829 0.005 1 95 46 7 G H1' H 5.575 0.006 1 96 46 7 G H2' H 4.691 0.002 1 97 46 7 G H3' H 4.440 0.010 1 98 46 7 G H5' H 4.518 0.000 2 99 46 7 G H5'' H 4.045 0.001 2 100 46 7 G H8 H 7.464 0.022 1 101 46 7 G C1' C 93.770 0.191 1 102 46 7 G C2' C 75.428 0.000 1 103 46 7 G C3' C 72.842 0.070 1 104 46 7 G C5' C 65.790 0.014 1 105 46 7 G C8 C 136.609 0.000 1 106 46 7 G N1 N 147.265 0.000 1 107 47 8 C H1' H 5.396 0.028 1 108 47 8 C H2' H 4.578 0.004 1 109 47 8 C H3' H 4.362 0.005 1 110 47 8 C H4' H 4.368 0.004 1 111 47 8 C H5 H 5.488 0.006 1 112 47 8 C H6 H 7.652 0.011 1 113 47 8 C H41 H 8.327 0.000 2 114 47 8 C H42 H 6.758 0.019 2 115 47 8 C C1' C 94.328 0.039 1 116 47 8 C C2' C 75.114 0.029 1 117 47 8 C C3' C 72.414 0.176 1 118 47 8 C C4' C 82.204 0.159 1 119 47 8 C C5 C 98.478 0.030 1 120 47 8 C C6 C 142.043 0.000 1 121 48 9 A H1' H 6.288 0.012 1 122 48 9 A H2 H 8.390 0.009 1 123 48 9 A H2' H 4.568 0.012 1 124 48 9 A H3' H 4.299 0.000 1 125 48 9 A H4' H 4.266 0.018 1 126 48 9 A H8 H 8.531 0.021 1 127 48 9 A C1' C 90.505 0.189 1 128 48 9 A C2 C 156.217 0.047 1 129 48 9 A C2' C 77.778 0.017 1 130 48 9 A C4' C 84.749 0.036 1 131 48 9 A C8 C 141.502 0.000 1 132 49 10 G H1 H 12.473 0.000 1 133 49 10 G H1' H 5.242 0.009 1 134 49 10 G H2' H 4.380 0.008 1 135 49 10 G H3' H 4.708 0.011 1 136 49 10 G H4' H 3.904 0.000 1 137 49 10 G H5'' H 4.003 0.010 2 138 49 10 G H8 H 7.766 0.008 1 139 49 10 G C1' C 92.334 0.040 1 140 49 10 G C2' C 77.308 0.058 1 141 49 10 G C3' C 78.307 0.037 1 142 49 10 G C8 C 139.913 0.041 1 143 49 10 G N1 N 146.656 0.000 1 144 50 11 G H1 H 11.463 0.011 1 145 50 11 G H1' H 5.766 0.014 1 146 50 11 G H2' H 4.515 0.016 1 147 50 11 G H3' H 4.588 0.014 1 148 50 11 G H4' H 4.282 0.018 1 149 50 11 G H5' H 3.721 0.017 2 150 50 11 G H5'' H 2.814 0.029 2 151 50 11 G H8 H 8.478 0.009 1 152 50 11 G C1' C 88.614 0.034 1 153 50 11 G C2' C 79.036 0.123 1 154 50 11 G C3' C 78.907 0.090 1 155 50 11 G C4' C 87.362 0.066 1 156 50 11 G C5' C 67.686 0.103 1 157 50 11 G C8 C 140.963 0.030 1 158 50 11 G N1 N 146.207 0.000 1 159 51 12 A H1' H 6.472 0.008 1 160 51 12 A H2 H 8.485 0.011 1 161 51 12 A H2' H 4.349 0.019 1 162 51 12 A H3' H 5.061 0.010 1 163 51 12 A H4' H 4.553 0.009 1 164 51 12 A H5' H 4.530 0.012 2 165 51 12 A H5'' H 4.264 0.019 2 166 51 12 A H8 H 9.040 0.015 1 167 51 12 A C1' C 90.250 0.057 1 168 51 12 A C2 C 156.721 0.037 1 169 51 12 A C2' C 78.656 0.067 1 170 51 12 A C3' C 75.603 0.024 1 171 51 12 A C4' C 81.921 0.054 1 172 51 12 A C5' C 68.891 0.025 1 173 51 12 A C8 C 141.970 0.015 1 174 52 13 A H1' H 6.036 0.006 1 175 52 13 A H2 H 8.264 0.008 1 176 52 13 A H2' H 4.632 0.007 1 177 52 13 A H3' H 4.780 0.005 1 178 52 13 A H4' H 4.327 0.005 1 179 52 13 A H5' H 4.231 0.007 2 180 52 13 A H5'' H 4.106 0.006 2 181 52 13 A H8 H 8.308 0.005 1 182 52 13 A C1' C 90.339 0.025 1 183 52 13 A C2 C 155.750 0.023 1 184 52 13 A C2' C 77.608 0.040 1 185 52 13 A C3' C 77.840 0.065 1 186 52 13 A C4' C 85.531 0.030 1 187 52 13 A C5' C 68.348 0.075 1 188 52 13 A C8 C 142.305 0.042 1 189 53 14 G H1 H 13.144 0.004 1 190 53 14 G H1' H 4.895 0.021 1 191 53 14 G H2' H 4.529 0.004 1 192 53 14 G H3' H 4.661 0.000 1 193 53 14 G H4' H 4.449 0.000 1 194 53 14 G H5' H 4.454 0.000 2 195 53 14 G H5'' H 4.249 0.000 2 196 53 14 G H8 H 7.505 0.013 1 197 53 14 G C1' C 93.012 0.026 1 198 53 14 G C2' C 75.278 0.083 1 199 53 14 G C3' C 75.558 0.000 1 200 53 14 G C4' C 82.150 0.000 1 201 53 14 G C5' C 67.242 0.000 1 202 53 14 G C8 C 136.579 0.069 1 203 53 14 G N1 N 148.322 0.000 1 204 54 15 C H1' H 5.674 0.006 1 205 54 15 C H2' H 4.681 0.003 1 206 54 15 C H3' H 4.564 0.013 1 207 54 15 C H4' H 4.456 0.002 1 208 54 15 C H5 H 5.300 0.011 1 209 54 15 C H6 H 7.739 0.004 1 210 54 15 C C1' C 93.620 0.095 1 211 54 15 C C2' C 75.558 0.126 1 212 54 15 C C3' C 72.474 0.065 1 213 54 15 C C4' C 82.029 0.052 1 214 54 15 C C5 C 96.991 0.075 1 215 54 15 C C6 C 141.933 0.000 1 216 55 16 G H1 H 12.140 0.006 1 217 55 16 G H1' H 5.753 0.013 1 218 55 16 G H2' H 4.691 0.001 1 219 55 16 G H3' H 4.542 0.003 1 220 55 16 G H4' H 4.524 0.002 1 221 55 16 G H5' H 4.427 0.007 2 222 55 16 G H5'' H 4.139 0.006 2 223 55 16 G H8 H 7.510 0.014 1 224 55 16 G C1' C 93.096 0.086 1 225 55 16 G C2' C 75.514 0.091 1 226 55 16 G C3' C 73.824 0.028 1 227 55 16 G C4' C 82.451 0.008 1 228 55 16 G C5' C 67.064 0.099 1 229 55 16 G C8 C 136.606 0.048 1 230 55 16 G N1 N 146.848 0.000 1 231 56 17 A H1' H 6.009 0.004 1 232 56 17 A H2 H 7.799 0.005 1 233 56 17 A H2' H 4.473 0.011 1 234 56 17 A H3' H 4.678 0.006 1 235 56 17 A H4' H 4.507 0.005 1 236 56 17 A H5' H 4.527 0.000 2 237 56 17 A H5'' H 4.125 0.010 2 238 56 17 A H8 H 7.935 0.008 1 239 56 17 A C1' C 93.537 0.171 1 240 56 17 A C2 C 154.039 0.126 1 241 56 17 A C2' C 75.456 0.051 1 242 56 17 A C3' C 72.752 0.115 1 243 56 17 A C4' C 82.226 0.025 1 244 56 17 A C5' C 64.993 0.020 1 245 56 17 A C8 C 140.010 0.055 1 246 57 18 U H1' H 5.601 0.014 1 247 57 18 U H2' H 4.339 0.006 1 248 57 18 U H3 H 14.043 0.012 1 249 57 18 U H3' H 4.498 0.011 1 250 57 18 U H4' H 4.415 0.004 1 251 57 18 U H5 H 4.979 0.017 1 252 57 18 U H5' H 4.582 0.004 2 253 57 18 U H5'' H 4.090 0.005 2 254 57 18 U H6 H 7.853 0.013 1 255 57 18 U C1' C 93.430 0.021 1 256 57 18 U C2' C 75.441 0.060 1 257 57 18 U C3' C 72.369 0.181 1 258 57 18 U C4' C 82.039 0.035 1 259 57 18 U C5 C 102.413 0.061 1 260 57 18 U C5' C 64.250 0.150 1 261 57 18 U C6 C 142.185 0.048 1 262 57 18 U N3 N 162.646 0.000 1 263 58 19 C H1' H 5.583 0.009 1 264 58 19 C H2' H 4.286 0.006 1 265 58 19 C H3' H 4.464 0.011 1 266 58 19 C H4' H 4.414 0.003 1 267 58 19 C H5 H 5.558 0.006 1 268 58 19 C H5' H 4.529 0.001 2 269 58 19 C H5'' H 4.068 0.010 2 270 58 19 C H6 H 7.898 0.008 1 271 58 19 C H41 H 8.310 0.000 2 272 58 19 C H42 H 6.786 0.000 2 273 58 19 C C1' C 93.941 0.067 1 274 58 19 C C2' C 75.583 0.027 1 275 58 19 C C3' C 72.171 0.095 1 276 58 19 C C4' C 81.937 0.069 1 277 58 19 C C5 C 97.831 0.666 1 278 58 19 C C5' C 64.636 0.021 1 279 58 19 C C6 C 141.721 0.021 1 280 59 20 C H1' H 5.449 0.006 1 281 59 20 C H2' H 4.217 0.010 1 282 59 20 C H3' H 4.468 0.005 1 283 59 20 C H4' H 4.367 0.008 1 284 59 20 C H5 H 5.436 0.005 1 285 59 20 C H5' H 4.558 0.000 2 286 59 20 C H5'' H 4.037 0.017 2 287 59 20 C H6 H 7.776 0.012 1 288 59 20 C C1' C 94.254 0.033 1 289 59 20 C C2' C 75.587 0.025 1 290 59 20 C C3' C 72.204 0.081 1 291 59 20 C C4' C 81.979 0.031 1 292 59 20 C C5 C 97.485 0.041 1 293 59 20 C C5' C 64.454 0.035 1 294 59 20 C C6 C 141.544 0.169 1 295 60 21 C H1' H 5.735 0.006 1 296 60 21 C H2' H 3.975 0.005 1 297 60 21 C H3' H 4.156 0.004 1 298 60 21 C H4' H 4.152 0.011 1 299 60 21 C H5 H 5.454 0.008 1 300 60 21 C H5' H 4.455 0.006 2 301 60 21 C H5'' H 4.005 0.000 2 302 60 21 C H6 H 7.656 0.005 1 303 60 21 C C1' C 92.891 0.058 1 304 60 21 C C2' C 77.559 0.009 1 305 60 21 C C3' C 69.897 0.007 1 306 60 21 C C4' C 83.671 0.008 1 307 60 21 C C5 C 98.031 0.033 1 308 60 21 C C5' C 65.203 0.073 1 309 60 21 C C6 C 141.837 0.171 1 stop_ save_