data_19546 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL2)/RsmE(dimer) 2:1 complex ; _BMRB_accession_number 19546 _BMRB_flat_file_name bmr19546.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" 528 "13C chemical shifts" 346 "15N chemical shifts" 78 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' 19547 'RsmZ(SL3)/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(SL2)/RsmE(dimer) 2:1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RsmE_1 $RsmE SL2(RsmZ)_1 $SL2(RsmZ) RsmE_2 $RsmE SL2(RsmZ)_2 $SL2(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 2015-11-25 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 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 BMRB 19549 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_SL2(RsmZ) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common SL2(RsmZ) _Molecular_mass 7112.354 _Mol_thiol_state 'not present' _Details . _Residue_count 22 _Mol_residue_sequence ; GGGCCAUCAAGGACGAUGGU CC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 G 2 18 G 3 19 G 4 20 C 5 21 C 6 22 A 7 23 U 8 24 C 9 25 A 10 26 A 11 27 G 12 28 G 13 29 A 14 30 C 15 31 G 16 32 A 17 33 U 18 34 G 19 35 G 20 36 U 21 37 C 22 38 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 $SL2(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 $SL2(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]' $SL2(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]' $SL2(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]' $SL2(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]' $SL2(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]' $SL2(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]' $SL2(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]' $SL2(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]' $SL2(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 4.046 0.006 1 2 1 1 MET HB2 H 1.876 0.005 2 3 1 1 MET HB3 H 1.934 0.010 2 4 1 1 MET HG2 H 2.377 0.013 2 5 1 1 MET HG3 H 2.377 0.013 2 6 1 1 MET HE H 1.943 0.006 1 7 1 1 MET CA C 55.632 0.089 1 8 1 1 MET CB C 34.837 0.138 1 9 1 1 MET CG C 30.715 0.079 1 10 1 1 MET CE C 17.405 0.029 1 11 2 2 LEU H H 8.494 0.013 1 12 2 2 LEU HA H 4.547 0.022 1 13 2 2 LEU HB2 H 1.361 0.013 2 14 2 2 LEU HB3 H 1.036 0.011 2 15 2 2 LEU HG H 0.856 0.012 1 16 2 2 LEU HD1 H -0.288 0.012 2 17 2 2 LEU HD2 H 0.519 0.014 2 18 2 2 LEU CA C 54.353 0.068 1 19 2 2 LEU CB C 42.514 0.056 1 20 2 2 LEU CG C 27.428 0.000 1 21 2 2 LEU CD1 C 25.912 0.037 2 22 2 2 LEU CD2 C 22.342 0.125 2 23 2 2 LEU N N 124.364 0.019 1 24 3 3 ILE H H 10.676 0.011 1 25 3 3 ILE HA H 5.071 0.014 1 26 3 3 ILE HB H 1.541 0.012 1 27 3 3 ILE HG12 H 0.982 0.000 2 28 3 3 ILE HG13 H 1.256 0.300 2 29 3 3 ILE HG2 H 0.749 0.009 1 30 3 3 ILE HD1 H 0.763 0.008 1 31 3 3 ILE CA C 60.083 0.121 1 32 3 3 ILE CB C 37.710 0.039 1 33 3 3 ILE CG1 C 27.532 0.009 1 34 3 3 ILE CG2 C 17.794 0.060 1 35 3 3 ILE CD1 C 13.460 0.015 1 36 3 3 ILE N N 130.774 0.033 1 37 4 4 LEU H H 8.587 0.012 1 38 4 4 LEU HA H 4.535 0.004 1 39 4 4 LEU HB2 H 1.197 0.015 2 40 4 4 LEU HB3 H 0.884 0.011 2 41 4 4 LEU HG H 1.098 0.027 1 42 4 4 LEU HD1 H 0.283 0.017 2 43 4 4 LEU HD2 H 0.037 0.011 2 44 4 4 LEU CA C 52.555 0.044 1 45 4 4 LEU CB C 47.177 0.100 1 46 4 4 LEU CG C 26.149 0.168 1 47 4 4 LEU CD1 C 25.796 0.067 2 48 4 4 LEU CD2 C 22.878 0.076 2 49 4 4 LEU N N 122.204 0.028 1 50 5 5 THR H H 9.161 0.009 1 51 5 5 THR HA H 5.476 0.015 1 52 5 5 THR HB H 3.954 0.010 1 53 5 5 THR HG2 H 1.080 0.006 1 54 5 5 THR CA C 61.923 0.036 1 55 5 5 THR CB C 68.963 0.073 1 56 5 5 THR CG2 C 22.807 0.033 1 57 5 5 THR N N 119.940 0.035 1 58 6 6 ARG H H 9.619 0.015 1 59 6 6 ARG HA H 5.023 0.025 1 60 6 6 ARG HB2 H 1.885 0.020 2 61 6 6 ARG HB3 H 1.731 0.000 2 62 6 6 ARG HD2 H 2.973 0.003 2 63 6 6 ARG HD3 H 2.965 0.010 2 64 6 6 ARG HE H 8.596 0.000 1 65 6 6 ARG CA C 55.325 0.070 1 66 6 6 ARG CB C 38.076 0.017 1 67 6 6 ARG N N 126.862 0.004 1 68 7 7 LYS H H 9.450 0.016 1 69 7 7 LYS HA H 5.069 0.007 1 70 7 7 LYS HB2 H 1.872 0.019 2 71 7 7 LYS HB3 H 1.413 0.005 2 72 7 7 LYS HG2 H 1.409 0.008 2 73 7 7 LYS HG3 H 1.409 0.008 2 74 7 7 LYS HD2 H 1.664 0.003 2 75 7 7 LYS HD3 H 1.643 0.019 2 76 7 7 LYS HE2 H 2.925 0.008 2 77 7 7 LYS HE3 H 2.925 0.008 2 78 7 7 LYS CA C 54.427 0.066 1 79 7 7 LYS CB C 34.217 0.067 1 80 7 7 LYS CG C 25.476 0.000 1 81 7 7 LYS CD C 29.446 0.170 1 82 7 7 LYS CE C 41.942 0.056 1 83 7 7 LYS N N 123.703 0.022 1 84 8 8 VAL H H 7.741 0.006 1 85 8 8 VAL HA H 3.315 0.014 1 86 8 8 VAL HB H 1.956 0.010 1 87 8 8 VAL HG1 H 1.023 0.016 2 88 8 8 VAL HG2 H 0.868 0.008 2 89 8 8 VAL CA C 66.050 0.045 1 90 8 8 VAL CB C 31.491 0.000 1 91 8 8 VAL CG1 C 23.163 0.001 2 92 8 8 VAL CG2 C 21.200 0.000 2 93 8 8 VAL N N 118.617 0.000 1 94 9 9 GLY H H 9.269 0.010 1 95 9 9 GLY HA2 H 3.618 0.011 2 96 9 9 GLY HA3 H 4.400 0.010 2 97 9 9 GLY CA C 44.524 0.065 1 98 9 9 GLY N N 116.069 0.000 1 99 10 10 GLU H H 8.426 0.023 1 100 10 10 GLU HA H 4.891 0.009 1 101 10 10 GLU HB2 H 2.543 0.014 2 102 10 10 GLU HG2 H 2.157 0.005 2 103 10 10 GLU HG3 H 2.157 0.005 2 104 10 10 GLU CA C 55.788 0.027 1 105 10 10 GLU CB C 32.873 0.018 1 106 10 10 GLU CG C 37.555 0.000 1 107 10 10 GLU N N 119.364 0.000 1 108 11 11 SER H H 8.672 0.020 1 109 11 11 SER HA H 5.882 0.012 1 110 11 11 SER HB2 H 3.578 0.018 2 111 11 11 SER HB3 H 3.488 0.045 2 112 11 11 SER CA C 57.997 0.033 1 113 11 11 SER CB C 66.884 0.016 1 114 11 11 SER N N 112.510 0.000 1 115 12 12 ILE H H 9.265 0.022 1 116 12 12 ILE HA H 4.365 0.012 1 117 12 12 ILE HB H 1.259 0.011 1 118 12 12 ILE HG12 H 1.306 0.009 2 119 12 12 ILE HG13 H 0.527 0.016 2 120 12 12 ILE HG2 H 0.407 0.006 1 121 12 12 ILE HD1 H 0.534 0.014 1 122 12 12 ILE CA C 59.814 0.070 1 123 12 12 ILE CB C 42.616 0.071 1 124 12 12 ILE CG1 C 28.316 0.099 1 125 12 12 ILE CG2 C 17.156 0.026 1 126 12 12 ILE CD1 C 14.543 0.150 1 127 12 12 ILE N N 124.592 0.025 1 128 13 13 ASN H H 9.318 0.010 1 129 13 13 ASN HA H 4.947 0.007 1 130 13 13 ASN HB2 H 2.157 0.010 2 131 13 13 ASN HB3 H 1.828 0.009 2 132 13 13 ASN HD21 H 5.722 0.007 2 133 13 13 ASN HD22 H 6.438 0.013 2 134 13 13 ASN CA C 53.571 0.062 1 135 13 13 ASN CB C 41.491 0.088 1 136 13 13 ASN N N 126.127 0.016 1 137 13 13 ASN ND2 N 107.471 0.058 1 138 14 14 ILE H H 8.392 0.012 1 139 14 14 ILE HA H 4.475 0.006 1 140 14 14 ILE HB H 1.432 0.000 1 141 14 14 ILE HG12 H 1.279 0.007 2 142 14 14 ILE HG13 H 0.759 0.002 2 143 14 14 ILE HG2 H 0.619 0.010 1 144 14 14 ILE HD1 H 0.526 0.002 1 145 14 14 ILE CA C 60.582 0.017 1 146 14 14 ILE CB C 38.573 0.000 1 147 14 14 ILE CG1 C 27.525 0.018 1 148 14 14 ILE CG2 C 17.079 0.000 1 149 14 14 ILE CD1 C 14.273 0.144 1 150 14 14 ILE N N 123.984 0.042 1 151 15 15 GLY H H 9.148 0.011 1 152 15 15 GLY HA2 H 4.013 0.011 2 153 15 15 GLY HA3 H 3.933 0.016 2 154 15 15 GLY CA C 45.893 0.026 1 155 15 15 GLY N N 115.533 0.000 1 156 16 16 ASP H H 8.809 0.007 1 157 16 16 ASP HA H 4.969 0.009 1 158 16 16 ASP HB2 H 2.840 0.006 2 159 16 16 ASP HB3 H 2.498 0.010 2 160 16 16 ASP CA C 55.256 0.022 1 161 16 16 ASP CB C 42.342 0.065 1 162 16 16 ASP N N 121.039 0.046 1 163 17 17 ASP H H 8.140 0.000 1 164 17 17 ASP HA H 4.749 0.007 1 165 17 17 ASP HB2 H 2.687 0.006 2 166 17 17 ASP HB3 H 2.574 0.018 2 167 17 17 ASP CA C 54.134 0.046 1 168 17 17 ASP CB C 42.578 0.008 1 169 17 17 ASP N N 115.538 0.000 1 170 18 18 ILE H H 7.183 0.013 1 171 18 18 ILE HA H 5.239 0.005 1 172 18 18 ILE HB H 2.168 0.012 1 173 18 18 ILE HG12 H 1.781 0.015 2 174 18 18 ILE HG2 H 0.661 0.009 1 175 18 18 ILE HD1 H 0.681 0.012 1 176 18 18 ILE CA C 60.037 0.061 1 177 18 18 ILE CB C 39.755 0.019 1 178 18 18 ILE CG1 C 27.506 0.000 1 179 18 18 ILE CG2 C 17.043 0.000 1 180 18 18 ILE CD1 C 14.123 0.000 1 181 18 18 ILE N N 118.702 0.000 1 182 19 19 THR H H 8.993 0.011 1 183 19 19 THR HA H 5.110 0.009 1 184 19 19 THR HB H 3.833 0.015 1 185 19 19 THR HG2 H 0.965 0.014 1 186 19 19 THR CA C 60.845 0.030 1 187 19 19 THR CB C 71.703 0.000 1 188 19 19 THR CG2 C 21.635 0.073 1 189 19 19 THR N N 122.806 0.000 1 190 20 20 ILE H H 8.918 0.022 1 191 20 20 ILE HA H 4.891 0.005 1 192 20 20 ILE HB H 1.590 0.003 1 193 20 20 ILE HG12 H 1.237 0.020 2 194 20 20 ILE HG13 H 0.923 0.001 2 195 20 20 ILE HG2 H 0.574 0.008 1 196 20 20 ILE HD1 H 0.520 0.004 1 197 20 20 ILE CA C 58.946 0.025 1 198 20 20 ILE CB C 40.382 0.000 1 199 20 20 ILE CG1 C 27.402 0.004 1 200 20 20 ILE CG2 C 17.361 0.000 1 201 20 20 ILE CD1 C 14.384 0.054 1 202 20 20 ILE N N 123.302 0.000 1 203 21 21 THR H H 9.398 0.003 1 204 21 21 THR HA H 4.837 0.012 1 205 21 21 THR HB H 3.380 0.008 1 206 21 21 THR HG2 H 0.869 0.007 1 207 21 21 THR CA C 61.523 0.021 1 208 21 21 THR CB C 71.939 0.000 1 209 21 21 THR CG2 C 21.184 0.000 1 210 21 21 THR N N 123.751 0.008 1 211 22 22 ILE H H 8.053 0.006 1 212 22 22 ILE HA H 4.119 0.008 1 213 22 22 ILE HB H 2.457 0.016 1 214 22 22 ILE HG12 H 1.550 0.000 2 215 22 22 ILE HG13 H 1.047 0.003 2 216 22 22 ILE HG2 H 0.715 0.003 1 217 22 22 ILE HD1 H 0.515 0.030 1 218 22 22 ILE CA C 59.111 0.029 1 219 22 22 ILE CB C 33.929 0.000 1 220 22 22 ILE CG1 C 26.945 0.048 1 221 22 22 ILE CG2 C 18.298 0.000 1 222 22 22 ILE CD1 C 8.905 0.000 1 223 22 22 ILE N N 125.736 0.000 1 224 23 23 LEU H H 8.890 0.012 1 225 23 23 LEU HA H 4.529 0.000 1 226 23 23 LEU HB2 H 1.624 0.005 2 227 23 23 LEU HB3 H 1.311 0.000 2 228 23 23 LEU HG H 1.461 0.011 1 229 23 23 LEU HD1 H 0.644 0.023 2 230 23 23 LEU HD2 H 0.511 0.008 2 231 23 23 LEU CA C 55.574 0.000 1 232 23 23 LEU CB C 41.923 0.014 1 233 23 23 LEU CG C 26.700 0.034 1 234 23 23 LEU CD1 C 26.366 0.034 2 235 23 23 LEU CD2 C 21.437 0.037 2 236 23 23 LEU N N 129.499 0.031 1 237 24 24 GLY H H 7.565 0.011 1 238 24 24 GLY HA2 H 4.142 0.052 2 239 24 24 GLY HA3 H 4.132 0.063 2 240 24 24 GLY CA C 46.001 0.066 1 241 24 24 GLY N N 104.858 0.000 1 242 25 25 VAL H H 8.477 0.001 1 243 25 25 VAL HA H 4.670 0.004 1 244 25 25 VAL HB H 1.811 0.019 1 245 25 25 VAL HG1 H 0.709 0.012 2 246 25 25 VAL HG2 H 0.797 0.007 2 247 25 25 VAL CA C 61.459 0.060 1 248 25 25 VAL CB C 35.692 0.000 1 249 25 25 VAL CG1 C 21.485 0.005 2 250 25 25 VAL CG2 C 21.796 0.025 2 251 25 25 VAL N N 120.794 0.000 1 252 26 26 SER H H 8.619 0.000 1 253 26 26 SER HA H 4.691 0.003 1 254 26 26 SER HB2 H 3.699 0.011 2 255 26 26 SER HB3 H 3.662 0.002 2 256 26 26 SER CA C 56.322 0.022 1 257 26 26 SER CB C 63.731 0.006 1 258 26 26 SER N N 122.022 0.000 1 259 27 27 GLY H H 8.969 0.000 1 260 27 27 GLY HA2 H 3.691 0.011 2 261 27 27 GLY HA3 H 4.193 0.014 2 262 27 27 GLY CA C 47.626 0.085 1 263 27 27 GLY N N 118.775 0.000 1 264 28 28 GLN H H 8.761 0.001 1 265 28 28 GLN HA H 4.324 0.001 1 266 28 28 GLN HB2 H 2.392 0.010 2 267 28 28 GLN HB3 H 1.971 0.010 2 268 28 28 GLN HG2 H 2.389 0.007 2 269 28 28 GLN HG3 H 2.389 0.007 2 270 28 28 GLN HE21 H 6.875 0.000 2 271 28 28 GLN HE22 H 7.652 0.000 2 272 28 28 GLN CA C 54.980 0.066 1 273 28 28 GLN CB C 29.553 0.002 1 274 28 28 GLN CG C 34.079 0.000 1 275 28 28 GLN N N 124.390 0.000 1 276 28 28 GLN NE2 N 113.834 0.001 1 277 29 29 GLN H H 8.307 0.008 1 278 29 29 GLN HA H 4.651 0.007 1 279 29 29 GLN HB2 H 2.116 0.013 2 280 29 29 GLN HB3 H 1.898 0.009 2 281 29 29 GLN HG2 H 2.340 0.014 2 282 29 29 GLN HG3 H 2.116 0.011 2 283 29 29 GLN HE21 H 7.184 0.011 2 284 29 29 GLN HE22 H 7.315 0.005 2 285 29 29 GLN CA C 55.364 0.000 1 286 29 29 GLN CB C 31.289 0.075 1 287 29 29 GLN CG C 34.765 0.030 1 288 29 29 GLN N N 116.885 0.012 1 289 29 29 GLN NE2 N 111.660 0.035 1 290 30 30 VAL H H 9.103 0.012 1 291 30 30 VAL HA H 4.602 0.036 1 292 30 30 VAL HB H 2.041 0.013 1 293 30 30 VAL HG1 H 0.934 0.002 2 294 30 30 VAL HG2 H 0.848 0.016 2 295 30 30 VAL CA C 60.710 0.035 1 296 30 30 VAL CB C 34.560 0.035 1 297 30 30 VAL CG1 C 22.733 0.053 2 298 30 30 VAL CG2 C 22.584 0.039 2 299 30 30 VAL N N 123.399 0.023 1 300 31 31 ARG H H 8.750 0.009 1 301 31 31 ARG HA H 4.659 0.006 1 302 31 31 ARG HB2 H 1.495 0.011 2 303 31 31 ARG HB3 H 1.663 0.024 2 304 31 31 ARG HG2 H 1.390 0.003 2 305 31 31 ARG HG3 H 1.541 0.001 2 306 31 31 ARG HD2 H 3.107 0.017 2 307 31 31 ARG HD3 H 3.070 0.003 2 308 31 31 ARG HE H 7.449 0.129 1 309 31 31 ARG CA C 55.755 0.000 1 310 31 31 ARG CB C 31.871 0.090 1 311 31 31 ARG CG C 23.873 9.979 1 312 31 31 ARG CD C 43.754 0.109 1 313 31 31 ARG N N 128.722 0.034 1 314 31 31 ARG NE N 84.827 0.012 1 315 32 32 ILE H H 9.069 0.022 1 316 32 32 ILE HA H 4.652 0.004 1 317 32 32 ILE HB H 1.605 0.011 1 318 32 32 ILE HG12 H 1.447 0.009 2 319 32 32 ILE HG13 H 0.841 0.007 2 320 32 32 ILE HG2 H 0.594 0.015 1 321 32 32 ILE HD1 H 0.568 0.010 1 322 32 32 ILE CA C 59.738 0.000 1 323 32 32 ILE CB C 41.082 0.000 1 324 32 32 ILE CG1 C 27.968 0.164 1 325 32 32 ILE CG2 C 18.341 0.000 1 326 32 32 ILE CD1 C 14.163 0.012 1 327 32 32 ILE N N 127.760 0.019 1 328 33 33 GLY H H 9.075 0.023 1 329 33 33 GLY HA2 H 3.616 0.011 2 330 33 33 GLY HA3 H 5.198 0.015 2 331 33 33 GLY CA C 44.565 0.041 1 332 33 33 GLY N N 112.098 0.000 1 333 34 34 ILE H H 9.654 0.052 1 334 34 34 ILE HA H 4.863 0.011 1 335 34 34 ILE HB H 1.496 0.013 1 336 34 34 ILE HG12 H 1.283 0.008 2 337 34 34 ILE HG13 H 0.793 0.003 2 338 34 34 ILE HG2 H 0.639 0.009 1 339 34 34 ILE HD1 H 0.583 0.015 1 340 34 34 ILE CA C 61.053 0.073 1 341 34 34 ILE CB C 41.339 0.000 1 342 34 34 ILE CG1 C 29.567 0.028 1 343 34 34 ILE CG2 C 19.594 0.000 1 344 34 34 ILE CD1 C 16.405 0.000 1 345 34 34 ILE N N 124.988 0.014 1 346 35 35 ASN H H 9.013 0.019 1 347 35 35 ASN HA H 5.102 0.011 1 348 35 35 ASN HB2 H 2.808 0.013 2 349 35 35 ASN HB3 H 2.588 0.007 2 350 35 35 ASN HD21 H 6.773 0.010 2 351 35 35 ASN HD22 H 7.311 0.010 2 352 35 35 ASN CA C 52.166 0.058 1 353 35 35 ASN CB C 40.191 0.072 1 354 35 35 ASN N N 129.566 0.000 1 355 35 35 ASN ND2 N 112.754 0.000 1 356 36 36 ALA H H 8.205 0.022 1 357 36 36 ALA HA H 5.066 0.015 1 358 36 36 ALA HB H 1.067 0.007 1 359 36 36 ALA CA C 49.445 0.040 1 360 36 36 ALA CB C 19.884 0.036 1 361 36 36 ALA N N 125.469 0.025 1 362 37 37 PRO HA H 4.415 0.010 1 363 37 37 PRO HB2 H 2.419 0.008 2 364 37 37 PRO HG2 H 2.098 0.015 2 365 37 37 PRO HG3 H 1.926 0.012 2 366 37 37 PRO HD2 H 3.939 0.025 2 367 37 37 PRO HD3 H 3.054 0.009 2 368 37 37 PRO CA C 62.961 0.033 1 369 37 37 PRO CB C 32.374 0.027 1 370 37 37 PRO CG C 28.054 0.044 1 371 37 37 PRO CD C 50.421 0.004 1 372 38 38 LYS H H 8.581 0.008 1 373 38 38 LYS HA H 3.794 0.010 1 374 38 38 LYS HB2 H 1.715 0.010 2 375 38 38 LYS HG2 H 1.447 0.008 2 376 38 38 LYS HG3 H 1.393 0.003 2 377 38 38 LYS HD2 H 1.557 0.009 2 378 38 38 LYS HD3 H 1.521 0.006 2 379 38 38 LYS HE2 H 2.958 0.001 2 380 38 38 LYS HE3 H 2.958 0.001 2 381 38 38 LYS CA C 58.747 0.048 1 382 38 38 LYS CB C 31.857 0.034 1 383 38 38 LYS CG C 25.077 0.031 1 384 38 38 LYS CD C 28.375 0.078 1 385 38 38 LYS CE C 42.029 0.000 1 386 38 38 LYS N N 121.088 0.027 1 387 39 39 ASP H H 8.164 0.008 1 388 39 39 ASP HA H 4.364 0.010 1 389 39 39 ASP HB2 H 2.663 0.012 2 390 39 39 ASP HB3 H 2.546 0.011 2 391 39 39 ASP CA C 54.027 0.041 1 392 39 39 ASP CB C 39.749 0.044 1 393 39 39 ASP N N 113.879 0.012 1 394 40 40 VAL H H 8.053 0.028 1 395 40 40 VAL HA H 3.975 0.009 1 396 40 40 VAL HB H 2.073 0.012 1 397 40 40 VAL HG1 H 0.797 0.007 2 398 40 40 VAL HG2 H 0.659 0.003 2 399 40 40 VAL CA C 61.937 0.047 1 400 40 40 VAL CB C 31.941 0.044 1 401 40 40 VAL CG1 C 21.288 0.072 2 402 40 40 VAL CG2 C 21.086 0.039 2 403 40 40 VAL N N 122.755 0.009 1 404 41 41 ALA H H 8.927 0.016 1 405 41 41 ALA HA H 4.445 0.006 1 406 41 41 ALA HB H 1.316 0.007 1 407 41 41 ALA CA C 52.269 0.077 1 408 41 41 ALA CB C 19.053 0.034 1 409 41 41 ALA N N 133.718 0.021 1 410 42 42 VAL H H 7.899 0.017 1 411 42 42 VAL HA H 4.384 0.007 1 412 42 42 VAL HB H 1.157 0.007 1 413 42 42 VAL HG1 H 0.604 0.010 2 414 42 42 VAL HG2 H 0.335 0.010 2 415 42 42 VAL CA C 60.485 0.240 1 416 42 42 VAL CB C 33.636 0.107 1 417 42 42 VAL CG1 C 20.200 0.036 2 418 42 42 VAL CG2 C 22.154 0.035 2 419 42 42 VAL N N 125.374 0.019 1 420 43 43 HIS H H 8.580 0.011 1 421 43 43 HIS HA H 5.505 0.007 1 422 43 43 HIS HB2 H 3.257 0.009 2 423 43 43 HIS HB3 H 2.428 0.012 2 424 43 43 HIS HD2 H 6.874 0.009 1 425 43 43 HIS HE1 H 7.761 0.004 1 426 43 43 HIS CA C 53.758 0.093 1 427 43 43 HIS CB C 37.671 0.117 1 428 43 43 HIS CD2 C 116.560 0.000 1 429 43 43 HIS CE1 C 139.042 0.000 1 430 43 43 HIS N N 118.709 0.027 1 431 44 44 ARG H H 8.396 0.002 1 432 44 44 ARG HA H 3.923 0.015 1 433 44 44 ARG HB3 H 1.620 0.014 2 434 44 44 ARG HD3 H 2.953 0.007 2 435 44 44 ARG HE H 5.848 0.011 1 436 44 44 ARG CA C 58.392 0.060 1 437 44 44 ARG N N 121.721 0.000 1 438 45 45 GLU H H 7.892 0.019 1 439 45 45 GLU HA H 4.384 0.047 1 440 45 45 GLU HB2 H 1.942 0.006 2 441 45 45 GLU HB3 H 1.942 0.006 2 442 45 45 GLU HG2 H 2.373 0.009 2 443 45 45 GLU HG3 H 2.186 0.006 2 444 45 45 GLU CA C 59.792 0.054 1 445 45 45 GLU CB C 29.945 0.173 1 446 45 45 GLU CG C 35.850 0.039 1 447 45 45 GLU N N 126.002 0.038 1 448 46 46 GLU H H 10.804 0.015 1 449 46 46 GLU HA H 4.212 0.018 1 450 46 46 GLU HB2 H 2.217 0.010 2 451 46 46 GLU HB3 H 1.866 0.025 2 452 46 46 GLU HG2 H 2.554 0.016 2 453 46 46 GLU CA C 58.717 0.046 1 454 46 46 GLU CB C 27.031 0.123 1 455 46 46 GLU CG C 34.925 0.049 1 456 46 46 GLU N N 118.201 0.026 1 457 47 47 ILE H H 7.177 0.006 1 458 47 47 ILE HA H 3.526 0.010 1 459 47 47 ILE HB H 2.124 0.012 1 460 47 47 ILE HG13 H 1.242 0.018 2 461 47 47 ILE HG2 H -0.264 0.011 1 462 47 47 ILE HD1 H 0.449 0.017 1 463 47 47 ILE CA C 60.756 0.094 1 464 47 47 ILE CB C 34.770 0.060 1 465 47 47 ILE CG2 C 15.954 0.035 1 466 47 47 ILE CD1 C 8.044 0.027 1 467 47 47 ILE N N 122.295 0.034 1 468 48 48 TYR H H 7.949 0.009 1 469 48 48 TYR HA H 3.542 0.008 1 470 48 48 TYR HB2 H 3.248 0.017 2 471 48 48 TYR HB3 H 2.640 0.009 2 472 48 48 TYR HD1 H 6.892 0.010 3 473 48 48 TYR HD2 H 6.892 0.010 3 474 48 48 TYR HE1 H 6.685 0.036 3 475 48 48 TYR HE2 H 6.685 0.036 3 476 48 48 TYR CA C 62.507 0.057 1 477 48 48 TYR CB C 39.069 0.079 1 478 48 48 TYR CD2 C 133.102 0.000 3 479 48 48 TYR CE2 C 118.346 0.000 3 480 48 48 TYR N N 122.359 0.012 1 481 49 49 GLN H H 8.597 0.010 1 482 49 49 GLN HA H 3.821 0.006 1 483 49 49 GLN HB2 H 2.001 0.005 2 484 49 49 GLN HG2 H 2.484 0.022 2 485 49 49 GLN HG3 H 2.595 0.006 2 486 49 49 GLN HE21 H 6.747 0.012 2 487 49 49 GLN HE22 H 7.457 0.010 2 488 49 49 GLN CA C 58.633 0.090 1 489 49 49 GLN CB C 28.038 0.034 1 490 49 49 GLN CG C 33.972 0.185 1 491 49 49 GLN N N 115.099 0.012 1 492 49 49 GLN NE2 N 111.100 0.045 1 493 50 50 ARG H H 7.134 0.013 1 494 50 50 ARG HA H 3.938 0.009 1 495 50 50 ARG HB2 H 1.900 0.010 2 496 50 50 ARG HB3 H 1.808 0.003 2 497 50 50 ARG HG2 H 1.913 0.011 2 498 50 50 ARG HG3 H 1.590 0.018 2 499 50 50 ARG HD2 H 3.285 0.017 2 500 50 50 ARG HD3 H 2.917 0.009 2 501 50 50 ARG CA C 59.616 0.070 1 502 50 50 ARG CB C 30.462 0.134 1 503 50 50 ARG CG C 27.066 0.099 1 504 50 50 ARG CD C 44.530 0.065 1 505 50 50 ARG N N 120.635 0.022 1 506 51 51 ILE H H 7.694 0.013 1 507 51 51 ILE HA H 3.521 0.014 1 508 51 51 ILE HB H 1.474 0.010 1 509 51 51 ILE HG12 H 0.995 0.012 2 510 51 51 ILE HG13 H 0.596 0.022 2 511 51 51 ILE HG2 H 0.625 0.009 1 512 51 51 ILE HD1 H -0.025 0.010 1 513 51 51 ILE CA C 65.010 0.044 1 514 51 51 ILE CB C 37.878 0.031 1 515 51 51 ILE CG1 C 28.993 0.077 1 516 51 51 ILE CG2 C 16.528 0.158 1 517 51 51 ILE CD1 C 13.580 0.015 1 518 51 51 ILE N N 120.637 0.023 1 519 52 52 GLN H H 7.910 0.009 1 520 52 52 GLN HA H 3.768 0.017 1 521 52 52 GLN HB2 H 1.955 0.010 2 522 52 52 GLN HB3 H 1.759 0.011 2 523 52 52 GLN HG2 H 1.965 0.005 2 524 52 52 GLN HG3 H 1.839 0.006 2 525 52 52 GLN HE21 H 6.247 0.013 2 526 52 52 GLN HE22 H 6.788 0.012 2 527 52 52 GLN CA C 57.616 0.065 1 528 52 52 GLN CB C 28.095 0.053 1 529 52 52 GLN CG C 33.357 0.084 1 530 52 52 GLN N N 118.700 0.017 1 531 52 52 GLN NE2 N 113.275 0.017 1 532 53 53 ALA H H 7.554 0.017 1 533 53 53 ALA HA H 4.185 0.007 1 534 53 53 ALA HB H 1.410 0.007 1 535 53 53 ALA CA C 53.071 0.050 1 536 53 53 ALA CB C 18.546 0.025 1 537 53 53 ALA N N 120.010 0.023 1 538 54 54 GLY H H 7.692 0.013 1 539 54 54 GLY HA2 H 3.925 0.009 2 540 54 54 GLY HA3 H 3.892 0.016 2 541 54 54 GLY CA C 45.605 0.069 1 542 54 54 GLY N N 105.898 0.026 1 543 55 55 LEU H H 7.669 0.011 1 544 55 55 LEU HA H 4.352 0.008 1 545 55 55 LEU HB2 H 1.615 0.007 2 546 55 55 LEU HB3 H 1.508 0.009 2 547 55 55 LEU HG H 1.638 0.010 1 548 55 55 LEU HD1 H 0.844 0.006 2 549 55 55 LEU HD2 H 0.808 0.009 2 550 55 55 LEU CA C 54.964 0.170 1 551 55 55 LEU CB C 42.006 0.039 1 552 55 55 LEU CG C 26.772 0.035 1 553 55 55 LEU CD1 C 25.113 0.022 2 554 55 55 LEU CD2 C 22.851 0.037 2 555 55 55 LEU N N 120.793 0.006 1 556 56 56 THR H H 7.928 0.004 1 557 56 56 THR HA H 4.278 0.005 1 558 56 56 THR HB H 4.136 0.007 1 559 56 56 THR HG2 H 1.153 0.008 1 560 56 56 THR CA C 61.492 0.071 1 561 56 56 THR CB C 69.957 0.064 1 562 56 56 THR CG2 C 21.579 0.100 1 563 56 56 THR N N 114.129 0.020 1 564 57 57 ALA H H 8.110 0.012 1 565 57 57 ALA HA H 4.178 0.019 1 566 57 57 ALA HB H 1.023 0.017 1 567 57 57 ALA CA C 50.568 0.062 1 568 57 57 ALA CB C 17.738 0.052 1 569 57 57 ALA N N 127.280 0.016 1 570 58 58 PRO HA H 4.279 0.011 1 571 58 58 PRO HB2 H 2.193 0.012 2 572 58 58 PRO HB3 H 1.814 0.016 2 573 58 58 PRO HD2 H 3.580 0.012 2 574 58 58 PRO HD3 H 3.376 0.015 2 575 58 58 PRO CA C 63.266 0.012 1 576 58 58 PRO CB C 31.983 0.138 1 577 58 58 PRO CD C 50.311 0.046 1 578 59 59 ASP H H 8.239 0.006 1 579 59 59 ASP HA H 4.454 0.009 1 580 59 59 ASP HB2 H 2.613 0.023 2 581 59 59 ASP HB3 H 2.568 0.025 2 582 59 59 ASP CA C 54.187 0.062 1 583 59 59 ASP CB C 41.011 0.042 1 584 59 59 ASP N N 119.739 0.043 1 585 60 60 LYS H H 8.101 0.015 1 586 60 60 LYS HA H 4.255 0.014 1 587 60 60 LYS HB2 H 1.811 0.012 2 588 60 60 LYS HB3 H 1.675 0.000 2 589 60 60 LYS HG2 H 1.376 0.014 2 590 60 60 LYS HG3 H 1.344 0.021 2 591 60 60 LYS HD2 H 1.623 0.014 2 592 60 60 LYS HD3 H 1.623 0.014 2 593 60 60 LYS HE2 H 2.954 0.006 2 594 60 60 LYS HE3 H 2.954 0.006 2 595 60 60 LYS CA C 56.151 0.050 1 596 60 60 LYS CB C 32.583 0.133 1 597 60 60 LYS CG C 24.682 0.040 1 598 60 60 LYS CD C 29.001 0.133 1 599 60 60 LYS CE C 41.898 0.000 1 600 60 60 LYS N N 122.003 0.046 1 601 61 61 ARG H H 8.188 0.000 1 602 61 61 ARG HA H 4.250 0.010 1 603 61 61 ARG HB2 H 1.788 0.009 2 604 61 61 ARG HB3 H 1.723 0.007 2 605 61 61 ARG HG2 H 1.587 0.004 2 606 61 61 ARG HG3 H 1.587 0.004 2 607 61 61 ARG HD2 H 3.142 0.010 2 608 61 61 ARG HD3 H 3.142 0.010 2 609 61 61 ARG CA C 56.133 0.076 1 610 61 61 ARG CB C 30.784 0.051 1 611 61 61 ARG CG C 27.045 0.000 1 612 61 61 ARG CD C 43.317 0.084 1 613 61 61 ARG N N 121.843 0.000 1 614 62 62 GLU H H 8.323 0.000 1 615 62 62 GLU HA H 4.302 0.008 1 616 62 62 GLU HB2 H 1.993 0.003 2 617 62 62 GLU HB3 H 1.888 0.015 2 618 62 62 GLU HG2 H 2.208 0.006 2 619 62 62 GLU HG3 H 2.157 0.000 2 620 62 62 GLU CA C 56.312 0.046 1 621 62 62 GLU CB C 30.428 0.026 1 622 62 62 GLU CG C 36.195 0.020 1 623 62 62 GLU N N 121.766 0.000 1 624 63 63 THR H H 8.154 0.015 1 625 63 63 THR HA H 4.534 0.006 1 626 63 63 THR HB H 4.082 0.008 1 627 63 63 THR HG2 H 1.156 0.010 1 628 63 63 THR CA C 59.643 0.053 1 629 63 63 THR CB C 69.688 0.054 1 630 63 63 THR CG2 C 21.452 0.044 1 631 63 63 THR N N 117.672 0.000 1 632 64 64 PRO HA H 4.328 0.006 1 633 64 64 PRO HB2 H 2.177 0.010 2 634 64 64 PRO HB3 H 1.685 0.006 2 635 64 64 PRO HG2 H 1.903 0.010 2 636 64 64 PRO HG3 H 1.903 0.010 2 637 64 64 PRO HD2 H 3.612 0.011 2 638 64 64 PRO HD3 H 3.755 0.013 2 639 64 64 PRO CA C 63.254 0.039 1 640 64 64 PRO CB C 31.944 0.011 1 641 64 64 PRO CG C 27.220 0.000 1 642 64 64 PRO CD C 50.959 0.014 1 643 65 65 HIS HA H 4.361 0.009 1 644 65 65 HIS HB2 H 3.115 0.016 2 645 65 65 HIS HB3 H 2.965 0.009 2 646 65 65 HIS CA C 57.492 0.046 1 647 65 65 HIS CB C 30.860 0.060 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 SL2(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 17 1 G H1 H 12.753 0.000 1 2 17 1 G H1' H 5.748 0.011 1 3 17 1 G H5' H 4.452 0.000 2 4 17 1 G C1' C 90.891 0.000 1 5 17 1 G C5' C 65.371 0.000 1 6 17 1 G N1 N 148.284 0.000 1 7 18 2 G H1 H 12.890 0.000 1 8 18 2 G H1' H 5.876 0.015 1 9 18 2 G H2' H 4.542 0.013 1 10 18 2 G H3' H 4.532 0.007 1 11 18 2 G H8 H 7.611 0.012 1 12 18 2 G C1' C 92.547 0.230 1 13 18 2 G C2' C 75.836 0.061 1 14 18 2 G C3' C 73.431 0.065 1 15 18 2 G C4' C 82.422 0.000 1 16 18 2 G C8 C 137.060 0.031 1 17 18 2 G N1 N 148.263 0.000 1 18 19 3 G H1 H 11.383 0.000 1 19 19 3 G H1' H 5.782 0.009 1 20 19 3 G H2' H 4.643 0.012 1 21 19 3 G H3' H 4.347 0.005 1 22 19 3 G H4' H 4.500 0.007 1 23 19 3 G H5' H 4.451 0.007 2 24 19 3 G H5'' H 4.081 0.006 2 25 19 3 G H8 H 7.261 0.013 1 26 19 3 G C1' C 93.057 0.000 1 27 19 3 G C2' C 75.439 0.015 1 28 19 3 G C3' C 73.266 0.011 1 29 19 3 G C4' C 82.365 0.032 1 30 19 3 G C5' C 65.929 0.046 1 31 19 3 G C8 C 136.601 0.101 1 32 19 3 G N1 N 145.652 0.000 1 33 20 4 C H1' H 5.933 0.009 1 34 20 4 C H2' H 4.238 0.000 1 35 20 4 C H3' H 4.347 0.000 1 36 20 4 C H4' H 4.178 0.005 1 37 20 4 C H5 H 5.298 0.009 1 38 20 4 C H5' H 4.183 0.009 2 39 20 4 C H5'' H 3.971 0.000 2 40 20 4 C H6 H 7.655 0.014 1 41 20 4 C H41 H 8.284 0.000 2 42 20 4 C C1' C 90.346 0.000 1 43 20 4 C C2' C 76.959 0.000 1 44 20 4 C C4' C 86.193 0.032 1 45 20 4 C C5 C 97.311 0.028 1 46 20 4 C C5' C 66.215 0.000 1 47 20 4 C C6 C 140.842 0.013 1 48 21 5 C H1' H 5.480 0.009 1 49 21 5 C H2' H 4.308 0.005 1 50 21 5 C H3' H 4.406 0.031 1 51 21 5 C H4' H 4.360 0.010 1 52 21 5 C H5 H 6.028 0.009 1 53 21 5 C H5' H 4.475 0.001 2 54 21 5 C H5'' H 4.039 0.007 2 55 21 5 C H6 H 7.655 0.012 1 56 21 5 C C1' C 93.797 0.051 1 57 21 5 C C2' C 75.770 0.026 1 58 21 5 C C3' C 72.297 0.101 1 59 21 5 C C4' C 81.997 0.062 1 60 21 5 C C5 C 99.211 0.081 1 61 21 5 C C5' C 64.823 0.126 1 62 21 5 C C6 C 141.276 0.212 1 63 22 6 A H1' H 5.865 0.011 1 64 22 6 A H2 H 7.232 0.019 1 65 22 6 A H2' H 4.536 0.009 1 66 22 6 A H3' H 4.364 0.011 1 67 22 6 A H4' H 4.495 0.012 1 68 22 6 A H5' H 4.432 0.009 2 69 22 6 A H5'' H 4.112 0.013 2 70 22 6 A H8 H 7.902 0.008 1 71 22 6 A C1' C 93.399 0.073 1 72 22 6 A C2 C 152.863 0.000 1 73 22 6 A C2' C 75.506 0.052 1 74 22 6 A C3' C 73.127 0.142 1 75 22 6 A C4' C 81.938 0.050 1 76 22 6 A C5' C 66.332 0.103 1 77 22 6 A C8 C 139.643 0.000 1 78 23 7 U H1' H 5.400 0.020 1 79 23 7 U H2' H 4.537 0.019 1 80 23 7 U H3 H 14.034 0.005 1 81 23 7 U H3' H 4.391 0.009 1 82 23 7 U H4' H 4.374 0.009 1 83 23 7 U H5 H 4.928 0.013 1 84 23 7 U H5' H 4.498 0.016 2 85 23 7 U H5'' H 4.027 0.020 2 86 23 7 U H6 H 7.411 0.012 1 87 23 7 U C1' C 93.453 0.042 1 88 23 7 U C2' C 75.357 0.122 1 89 23 7 U C3' C 73.150 0.039 1 90 23 7 U C4' C 82.109 0.077 1 91 23 7 U C5 C 102.662 0.096 1 92 23 7 U C5' C 64.590 0.185 1 93 23 7 U C6 C 141.335 0.000 1 94 23 7 U N3 N 162.639 0.000 1 95 24 8 C H1' H 5.339 0.006 1 96 24 8 C H2' H 4.572 0.011 1 97 24 8 C H3' H 4.285 0.010 1 98 24 8 C H5 H 5.552 0.009 1 99 24 8 C H6 H 7.500 0.005 1 100 24 8 C H42 H 7.149 0.005 2 101 24 8 C C1' C 94.994 0.062 1 102 24 8 C C2' C 75.496 0.079 1 103 24 8 C C3' C 73.182 0.000 1 104 24 8 C C5 C 97.932 0.000 1 105 24 8 C C6 C 140.637 0.000 1 106 25 9 A H1' H 6.347 0.011 1 107 25 9 A H2 H 7.569 0.023 1 108 25 9 A H2' H 4.058 0.017 1 109 25 9 A H3' H 5.038 0.006 1 110 25 9 A H4' H 4.487 0.000 1 111 25 9 A H8 H 8.020 0.011 1 112 25 9 A C1' C 92.443 0.073 1 113 25 9 A C2 C 154.458 0.000 1 114 25 9 A C2' C 77.136 0.061 1 115 25 9 A C3' C 73.481 0.093 1 116 25 9 A C4' C 81.446 0.114 1 117 25 9 A C8 C 139.827 0.000 1 118 26 10 A H1' H 5.762 0.013 1 119 26 10 A H2 H 8.125 0.014 1 120 26 10 A H2' H 4.525 0.009 1 121 26 10 A H3' H 4.676 0.011 1 122 26 10 A H4' H 3.095 0.013 1 123 26 10 A H5' H 3.531 0.017 2 124 26 10 A H5'' H 3.203 0.024 2 125 26 10 A H8 H 8.215 0.009 1 126 26 10 A C1' C 90.594 0.037 1 127 26 10 A C2 C 155.496 0.000 1 128 26 10 A C2' C 77.150 0.063 1 129 26 10 A C3' C 74.902 0.000 1 130 26 10 A C4' C 84.546 0.097 1 131 26 10 A C5' C 65.416 0.095 1 132 26 10 A C8 C 142.233 0.000 1 133 27 11 G H1 H 12.051 0.002 1 134 27 11 G H1' H 5.448 0.020 1 135 27 11 G H2' H 4.562 0.004 1 136 27 11 G H3' H 4.976 0.015 1 137 27 11 G H4' H 4.573 0.002 1 138 27 11 G H8 H 7.969 0.007 1 139 27 11 G C1' C 93.362 0.071 1 140 27 11 G C2' C 77.696 0.000 1 141 27 11 G C3' C 79.895 0.041 1 142 27 11 G C4' C 89.473 0.057 1 143 27 11 G C8 C 139.415 0.013 1 144 27 11 G N1 N 146.708 0.000 1 145 28 12 G H1 H 11.464 0.015 1 146 28 12 G H1' H 5.761 0.013 1 147 28 12 G H2' H 4.543 0.004 1 148 28 12 G H3' H 4.600 0.000 1 149 28 12 G H4' H 4.257 0.014 1 150 28 12 G H5' H 3.410 0.041 2 151 28 12 G H5'' H 2.556 0.010 2 152 28 12 G H8 H 8.621 0.011 1 153 28 12 G C1' C 88.371 0.019 1 154 28 12 G C2' C 79.144 0.044 1 155 28 12 G C3' C 78.832 0.000 1 156 28 12 G C4' C 87.454 0.066 1 157 28 12 G C5' C 67.241 0.064 1 158 28 12 G C8 C 141.629 0.049 1 159 28 12 G N1 N 145.989 0.000 1 160 29 13 A H1' H 6.450 0.009 1 161 29 13 A H2 H 8.538 0.009 1 162 29 13 A H2' H 4.386 0.010 1 163 29 13 A H3' H 5.135 0.018 1 164 29 13 A H4' H 4.483 0.006 1 165 29 13 A H5' H 4.381 0.009 2 166 29 13 A H5'' H 4.190 0.012 2 167 29 13 A H8 H 9.170 0.008 1 168 29 13 A C1' C 90.883 0.034 1 169 29 13 A C2 C 156.960 0.000 1 170 29 13 A C2' C 78.173 0.065 1 171 29 13 A C3' C 74.708 0.032 1 172 29 13 A C4' C 82.050 0.000 1 173 29 13 A C5' C 68.277 0.084 1 174 29 13 A C8 C 142.081 0.000 1 175 30 14 C H1' H 5.938 0.012 1 176 30 14 C H2' H 4.122 0.005 1 177 30 14 C H3' H 4.416 0.011 1 178 30 14 C H4' H 4.184 0.015 1 179 30 14 C H5 H 6.029 0.010 1 180 30 14 C H5' H 4.239 0.010 2 181 30 14 C H5'' H 3.973 0.007 2 182 30 14 C H6 H 7.661 0.011 1 183 30 14 C C1' C 90.391 0.031 1 184 30 14 C C2' C 76.493 0.046 1 185 30 14 C C3' C 76.281 0.000 1 186 30 14 C C4' C 86.206 0.079 1 187 30 14 C C5 C 99.237 0.046 1 188 30 14 C C5' C 69.004 0.080 1 189 30 14 C C6 C 143.631 0.074 1 190 31 15 G H1 H 12.040 0.003 1 191 31 15 G H1' H 5.332 0.010 1 192 31 15 G H2' H 4.752 0.017 1 193 31 15 G H3' H 4.321 0.004 1 194 31 15 G H4' H 3.840 0.010 1 195 31 15 G H5' H 3.819 0.017 2 196 31 15 G H8 H 7.120 0.009 1 197 31 15 G C1' C 93.378 0.048 1 198 31 15 G C2' C 75.539 0.000 1 199 31 15 G C3' C 76.692 0.032 1 200 31 15 G C4' C 81.459 0.094 1 201 31 15 G C5' C 68.197 0.040 1 202 31 15 G C8 C 136.144 0.000 1 203 31 15 G N1 N 147.220 0.000 1 204 32 16 A H1' H 6.046 0.008 1 205 32 16 A H2 H 7.722 0.005 1 206 32 16 A H2' H 4.686 0.007 1 207 32 16 A H3' H 4.604 0.009 1 208 32 16 A H4' H 4.364 0.012 1 209 32 16 A H5' H 4.611 0.015 2 210 32 16 A H5'' H 4.101 0.016 2 211 32 16 A H8 H 7.771 0.008 1 212 32 16 A C1' C 93.516 0.043 1 213 32 16 A C2 C 153.649 0.000 1 214 32 16 A C2' C 75.295 0.052 1 215 32 16 A C3' C 72.691 0.042 1 216 32 16 A C4' C 82.105 0.050 1 217 32 16 A C5' C 64.535 0.062 1 218 32 16 A C8 C 140.258 0.000 1 219 33 17 U H1' H 5.558 0.011 1 220 33 17 U H2' H 4.547 0.019 1 221 33 17 U H3 H 13.366 0.008 1 222 33 17 U H3' H 4.278 0.019 1 223 33 17 U H4' H 4.435 0.013 1 224 33 17 U H5 H 4.910 0.007 1 225 33 17 U H5' H 4.505 0.008 2 226 33 17 U H5'' H 4.058 0.024 2 227 33 17 U H6 H 7.512 0.016 1 228 33 17 U C1' C 93.302 0.040 1 229 33 17 U C2' C 75.413 0.050 1 230 33 17 U C3' C 72.736 0.025 1 231 33 17 U C4' C 82.411 0.020 1 232 33 17 U C5 C 102.422 0.000 1 233 33 17 U C5' C 65.295 0.050 1 234 33 17 U C6 C 141.537 0.000 1 235 33 17 U N3 N 162.378 0.000 1 236 34 18 G H1 H 12.045 0.003 1 237 34 18 G H1' H 5.801 0.010 1 238 34 18 G H3' H 4.590 0.009 1 239 34 18 G H4' H 4.494 0.006 1 240 34 18 G H5' H 4.436 0.000 2 241 34 18 G H5'' H 4.091 0.003 2 242 34 18 G H8 H 7.749 0.015 1 243 34 18 G C1' C 92.871 0.000 1 244 34 18 G C3' C 73.422 0.114 1 245 34 18 G C4' C 82.385 0.000 1 246 34 18 G C5' C 65.881 0.011 1 247 34 18 G C8 C 136.989 0.042 1 248 34 18 G N1 N 147.079 0.000 1 249 35 19 G H1 H 13.358 0.000 1 250 35 19 G H1' H 5.730 0.015 1 251 35 19 G H2' H 4.562 0.000 1 252 35 19 G H3' H 4.445 0.003 1 253 35 19 G H4' H 4.079 0.004 1 254 35 19 G H5'' H 3.963 0.000 2 255 35 19 G H8 H 7.370 0.011 1 256 35 19 G C1' C 92.359 0.000 1 257 35 19 G C3' C 72.448 0.000 1 258 35 19 G C4' C 84.512 0.000 1 259 35 19 G C5' C 65.151 0.000 1 260 35 19 G C8 C 136.350 0.088 1 261 35 19 G N1 N 148.478 0.000 1 262 36 20 U H1' H 5.475 0.009 1 263 36 20 U H2' H 4.095 0.011 1 264 36 20 U H3 H 12.292 0.000 1 265 36 20 U H3' H 4.512 0.010 1 266 36 20 U H4' H 4.378 0.012 1 267 36 20 U H5 H 5.395 0.010 1 268 36 20 U H5' H 4.503 0.016 2 269 36 20 U H5'' H 4.046 0.026 2 270 36 20 U H6 H 7.793 0.017 1 271 36 20 U C1' C 93.551 0.070 1 272 36 20 U C2' C 75.727 0.124 1 273 36 20 U C3' C 72.326 0.008 1 274 36 20 U C4' C 81.871 0.000 1 275 36 20 U C5 C 103.885 0.040 1 276 36 20 U C5' C 64.090 0.009 1 277 36 20 U C6 C 139.987 0.000 1 278 36 20 U N3 N 159.120 0.000 1 279 37 21 C H1' H 5.614 0.012 1 280 37 21 C H2' H 4.259 0.140 1 281 37 21 C H3' H 4.451 0.001 1 282 37 21 C H4' H 4.292 0.000 1 283 37 21 C H5 H 5.626 0.009 1 284 37 21 C H5' H 4.476 0.007 2 285 37 21 C H5'' H 4.030 0.000 2 286 37 21 C H6 H 7.946 0.011 1 287 37 21 C C1' C 93.750 0.074 1 288 37 21 C C2' C 75.591 0.106 1 289 37 21 C C3' C 71.862 0.000 1 290 37 21 C C4' C 81.725 0.000 1 291 37 21 C C5 C 97.415 0.009 1 292 37 21 C C5' C 64.748 0.037 1 293 37 21 C C6 C 142.641 0.070 1 294 38 22 C H1' H 5.724 0.015 1 295 38 22 C H2' H 3.943 0.010 1 296 38 22 C H3' H 4.127 0.004 1 297 38 22 C H4' H 4.102 0.012 1 298 38 22 C H5 H 5.525 0.011 1 299 38 22 C H6 H 7.635 0.006 1 300 38 22 C C1' C 92.828 0.028 1 301 38 22 C C2' C 77.575 0.032 1 302 38 22 C C3' C 69.886 0.014 1 303 38 22 C C4' C 83.612 0.051 1 304 38 22 C C5 C 98.107 0.053 1 305 38 22 C C6 C 141.959 0.057 1 stop_ save_