data_19548 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL4)/RsmE(dimer) 2:1 complex ; _BMRB_accession_number 19548 _BMRB_flat_file_name bmr19548.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" 543 "13C chemical shifts" 355 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-02 update BMRB 'update entry citation' 2014-02-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19544 'RsmZ(SL1)/RsmE(dimer) 2:1 complex' 19546 'RsmZ(SL2)/RsmE(dimer) 2:1 complex' 19547 'RsmZ(SL3)/RsmE(dimer) 2:1 complex' 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(SL4)/RsmE(dimer) 2:1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RsmE_1 $RsmE SL4(RsmZ)_1 $SL4(RsmZ) RsmE_2 $RsmE SL4(RsmZ)_2 $SL4(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 19546 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 19547 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 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_SL4(RsmZ) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common SL4(RsmZ) _Molecular_mass 6767.146 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; GGGUCAUCAGGACGAUGACC C ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 55 G 2 56 G 3 57 G 4 58 U 5 59 C 6 60 A 7 61 U 8 62 C 9 63 A 10 64 G 11 65 G 12 66 A 13 67 C 14 68 G 15 69 A 16 70 U 17 71 G 18 72 A 19 73 C 20 74 C 21 75 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 $SL4(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 $SL4(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]' $SL4(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]' $SL4(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]' $SL4(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]' $SL4(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]' $SL4(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]' $SL4(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]' $SL4(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]' $SL4(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 4.040 0.008 1 2 1 1 MET HB2 H 1.939 0.007 2 3 1 1 MET HB3 H 1.939 0.007 2 4 1 1 MET HG2 H 2.321 0.010 2 5 1 1 MET HG3 H 2.321 0.010 2 6 1 1 MET HE H 1.936 0.006 1 7 1 1 MET CA C 55.506 0.000 1 8 1 1 MET CB C 34.977 0.089 1 9 1 1 MET CG C 30.899 0.139 1 10 1 1 MET CE C 17.172 0.038 1 11 2 2 LEU H H 8.411 0.003 1 12 2 2 LEU HA H 4.481 0.004 1 13 2 2 LEU HB2 H 1.398 0.013 2 14 2 2 LEU HB3 H 1.030 0.036 2 15 2 2 LEU HG H 0.814 0.017 1 16 2 2 LEU HD1 H -0.345 0.010 2 17 2 2 LEU HD2 H 0.365 0.008 2 18 2 2 LEU CA C 54.502 0.246 1 19 2 2 LEU CB C 42.410 0.007 1 20 2 2 LEU CG C 27.300 0.168 1 21 2 2 LEU CD1 C 25.655 0.019 2 22 2 2 LEU CD2 C 22.099 0.020 2 23 2 2 LEU N N 124.817 0.147 1 24 3 3 ILE H H 10.326 0.005 1 25 3 3 ILE HA H 4.979 0.004 1 26 3 3 ILE HB H 1.394 0.014 1 27 3 3 ILE HG12 H 1.351 0.020 2 28 3 3 ILE HG13 H 0.881 0.011 2 29 3 3 ILE HG2 H 0.659 0.013 1 30 3 3 ILE HD1 H 0.677 0.010 1 31 3 3 ILE CA C 60.021 0.082 1 32 3 3 ILE CB C 37.984 0.130 1 33 3 3 ILE CG1 C 27.512 0.108 1 34 3 3 ILE CG2 C 17.585 0.164 1 35 3 3 ILE CD1 C 13.653 0.000 1 36 3 3 ILE N N 130.687 0.004 1 37 4 4 LEU H H 8.793 0.003 1 38 4 4 LEU HA H 4.783 0.009 1 39 4 4 LEU HB2 H 1.261 0.004 2 40 4 4 LEU HB3 H 0.846 0.000 2 41 4 4 LEU HG H 1.046 0.008 1 42 4 4 LEU HD1 H 0.286 0.013 2 43 4 4 LEU HD2 H 0.042 0.009 2 44 4 4 LEU CA C 52.591 0.011 1 45 4 4 LEU CB C 46.491 0.001 1 46 4 4 LEU CG C 26.503 0.135 1 47 4 4 LEU CD1 C 26.124 0.039 2 48 4 4 LEU CD2 C 23.304 0.008 2 49 4 4 LEU N N 123.391 0.095 1 50 5 5 THR HA H 5.491 0.006 1 51 5 5 THR HB H 4.053 0.011 1 52 5 5 THR HG2 H 1.065 0.003 1 53 5 5 THR CA C 61.148 0.000 1 54 5 5 THR CB C 69.731 0.000 1 55 5 5 THR CG2 C 22.024 0.032 1 56 6 6 ARG H H 9.367 0.015 1 57 6 6 ARG HA H 4.965 0.004 1 58 6 6 ARG HB2 H 1.870 0.006 2 59 6 6 ARG HB3 H 1.677 0.003 2 60 6 6 ARG HD2 H 2.980 0.000 2 61 6 6 ARG HD3 H 2.916 0.000 2 62 6 6 ARG HE H 8.473 0.012 1 63 6 6 ARG CA C 55.121 0.028 1 64 6 6 ARG CB C 38.407 0.033 1 65 6 6 ARG CD C 45.502 0.023 1 66 6 6 ARG N N 125.087 0.000 1 67 6 6 ARG NE N 82.702 0.028 1 68 7 7 LYS H H 9.406 0.003 1 69 7 7 LYS HA H 5.098 0.021 1 70 7 7 LYS HB2 H 1.884 0.000 2 71 7 7 LYS HB3 H 1.409 0.000 2 72 7 7 LYS HG2 H 1.409 0.003 2 73 7 7 LYS HG3 H 1.369 0.023 2 74 7 7 LYS HD2 H 1.670 0.006 2 75 7 7 LYS HD3 H 1.637 0.005 2 76 7 7 LYS HE2 H 2.929 0.009 2 77 7 7 LYS HE3 H 2.929 0.009 2 78 7 7 LYS CA C 54.249 0.000 1 79 7 7 LYS CB C 34.255 0.040 1 80 7 7 LYS CG C 25.417 0.132 1 81 7 7 LYS CD C 29.450 0.026 1 82 7 7 LYS CE C 42.044 0.062 1 83 7 7 LYS N N 123.260 0.000 1 84 8 8 VAL H H 7.764 0.013 1 85 8 8 VAL HA H 3.307 0.000 1 86 8 8 VAL HB H 1.943 0.008 1 87 8 8 VAL HG1 H 1.005 0.000 2 88 8 8 VAL HG2 H 0.849 0.000 2 89 8 8 VAL CA C 65.977 0.000 1 90 8 8 VAL CB C 31.572 0.023 1 91 8 8 VAL CG1 C 23.162 0.000 2 92 8 8 VAL CG2 C 21.200 0.000 2 93 8 8 VAL N N 118.507 0.023 1 94 9 9 GLY H H 9.238 0.011 1 95 9 9 GLY HA2 H 3.617 0.000 2 96 9 9 GLY HA3 H 4.400 0.000 2 97 9 9 GLY CA C 44.575 0.048 1 98 9 9 GLY N N 116.023 0.000 1 99 10 10 GLU H H 8.401 0.000 1 100 10 10 GLU HA H 4.892 0.000 1 101 10 10 GLU HB2 H 2.561 0.003 2 102 10 10 GLU HG2 H 2.167 0.000 2 103 10 10 GLU HG3 H 2.167 0.000 2 104 10 10 GLU CA C 55.758 0.000 1 105 10 10 GLU CB C 32.841 0.075 1 106 10 10 GLU CG C 37.657 0.000 1 107 10 10 GLU N N 119.392 0.000 1 108 11 11 SER H H 8.618 0.005 1 109 11 11 SER HA H 5.870 0.007 1 110 11 11 SER HB2 H 3.602 0.000 2 111 11 11 SER HB3 H 3.494 0.000 2 112 11 11 SER CA C 57.964 0.000 1 113 11 11 SER CB C 66.971 0.001 1 114 11 11 SER N N 112.280 0.000 1 115 12 12 ILE H H 9.328 0.031 1 116 12 12 ILE HA H 4.354 0.000 1 117 12 12 ILE HB H 1.275 0.000 1 118 12 12 ILE HG12 H 1.309 0.000 2 119 12 12 ILE HG13 H 0.537 0.000 2 120 12 12 ILE HG2 H 0.415 0.000 1 121 12 12 ILE HD1 H 0.527 0.000 1 122 12 12 ILE CA C 59.981 0.000 1 123 12 12 ILE CB C 42.755 0.000 1 124 12 12 ILE CG1 C 28.270 0.011 1 125 12 12 ILE CG2 C 17.277 0.000 1 126 12 12 ILE CD1 C 14.885 0.000 1 127 12 12 ILE N N 124.303 0.000 1 128 13 13 ASN H H 9.395 0.000 1 129 13 13 ASN HA H 5.017 0.001 1 130 13 13 ASN HB2 H 2.195 0.002 2 131 13 13 ASN HB3 H 1.890 0.002 2 132 13 13 ASN HD21 H 5.821 0.000 2 133 13 13 ASN HD22 H 6.471 0.000 2 134 13 13 ASN CA C 53.399 0.000 1 135 13 13 ASN CB C 41.442 0.021 1 136 13 13 ASN N N 126.189 0.000 1 137 13 13 ASN ND2 N 107.562 0.002 1 138 14 14 ILE H H 8.455 0.000 1 139 14 14 ILE HA H 4.445 0.000 1 140 14 14 ILE HB H 1.449 0.003 1 141 14 14 ILE HG12 H 1.265 0.000 2 142 14 14 ILE HG13 H 0.754 0.000 2 143 14 14 ILE HG2 H 0.599 0.000 1 144 14 14 ILE HD1 H 0.523 0.000 1 145 14 14 ILE CA C 60.539 0.000 1 146 14 14 ILE CB C 38.509 0.056 1 147 14 14 ILE CG1 C 27.535 0.011 1 148 14 14 ILE CG2 C 17.079 0.000 1 149 14 14 ILE CD1 C 14.074 0.000 1 150 14 14 ILE N N 123.998 0.000 1 151 15 15 GLY H H 9.039 0.016 1 152 15 15 GLY HA2 H 4.028 0.000 2 153 15 15 GLY HA3 H 3.917 0.000 2 154 15 15 GLY CA C 45.948 0.011 1 155 15 15 GLY N N 115.223 0.000 1 156 16 16 ASP H H 8.714 0.000 1 157 16 16 ASP HA H 4.912 0.002 1 158 16 16 ASP HB2 H 2.823 0.000 2 159 16 16 ASP HB3 H 2.518 0.000 2 160 16 16 ASP CA C 55.306 0.000 1 161 16 16 ASP CB C 42.366 0.002 1 162 16 16 ASP N N 120.438 0.000 1 163 17 17 ASP H H 8.158 0.000 1 164 17 17 ASP HA H 4.728 0.000 1 165 17 17 ASP HB2 H 2.672 0.000 2 166 17 17 ASP HB3 H 2.536 0.000 2 167 17 17 ASP CA C 54.179 0.000 1 168 17 17 ASP CB C 42.533 0.050 1 169 17 17 ASP N N 115.581 0.000 1 170 18 18 ILE H H 7.180 0.002 1 171 18 18 ILE HA H 5.188 0.000 1 172 18 18 ILE HB H 2.186 0.000 1 173 18 18 ILE HG12 H 1.751 0.000 2 174 18 18 ILE HG2 H 0.609 0.000 1 175 18 18 ILE HD1 H 0.694 0.000 1 176 18 18 ILE CA C 60.085 0.000 1 177 18 18 ILE CB C 39.696 0.000 1 178 18 18 ILE CG1 C 27.506 0.000 1 179 18 18 ILE CG2 C 17.056 0.000 1 180 18 18 ILE CD1 C 14.070 0.000 1 181 18 18 ILE N N 118.645 0.000 1 182 19 19 THR H H 8.970 0.022 1 183 19 19 THR HA H 5.117 0.000 1 184 19 19 THR HB H 3.811 0.000 1 185 19 19 THR HG2 H 0.992 0.000 1 186 19 19 THR CA C 61.009 0.000 1 187 19 19 THR CB C 71.661 0.000 1 188 19 19 THR CG2 C 21.586 0.000 1 189 19 19 THR N N 122.845 0.000 1 190 20 20 ILE H H 8.954 0.000 1 191 20 20 ILE HA H 4.892 0.000 1 192 20 20 ILE HB H 1.599 0.000 1 193 20 20 ILE HG12 H 1.220 0.000 2 194 20 20 ILE HG13 H 0.912 0.000 2 195 20 20 ILE HG2 H 0.559 0.000 1 196 20 20 ILE HD1 H 0.507 0.000 1 197 20 20 ILE CA C 58.951 0.000 1 198 20 20 ILE CB C 40.338 0.000 1 199 20 20 ILE CG1 C 27.427 0.035 1 200 20 20 ILE CG2 C 17.361 0.000 1 201 20 20 ILE CD1 C 14.331 0.000 1 202 20 20 ILE N N 123.857 0.000 1 203 21 21 THR H H 9.428 0.006 1 204 21 21 THR HA H 4.840 0.000 1 205 21 21 THR HB H 3.376 0.000 1 206 21 21 THR HG2 H 0.860 0.000 1 207 21 21 THR CA C 61.503 0.000 1 208 21 21 THR CB C 71.965 0.000 1 209 21 21 THR CG2 C 21.184 0.000 1 210 21 21 THR N N 123.681 0.000 1 211 22 22 ILE H H 8.131 0.005 1 212 22 22 ILE HA H 4.124 0.000 1 213 22 22 ILE HB H 2.464 0.003 1 214 22 22 ILE HG12 H 1.540 0.000 2 215 22 22 ILE HG13 H 1.038 0.002 2 216 22 22 ILE HG2 H 0.711 0.000 1 217 22 22 ILE HD1 H 0.483 0.000 1 218 22 22 ILE CA C 59.258 0.000 1 219 22 22 ILE CB C 33.924 0.005 1 220 22 22 ILE CG1 C 26.935 0.042 1 221 22 22 ILE CG2 C 18.415 0.000 1 222 22 22 ILE CD1 C 9.089 0.000 1 223 22 22 ILE N N 125.758 0.000 1 224 23 23 LEU H H 8.893 0.000 1 225 23 23 LEU HA H 4.519 0.000 1 226 23 23 LEU HB2 H 1.544 0.016 2 227 23 23 LEU HB3 H 1.301 0.000 2 228 23 23 LEU HG H 1.468 0.014 1 229 23 23 LEU HD1 H 0.663 0.015 2 230 23 23 LEU HD2 H 0.590 0.007 2 231 23 23 LEU CA C 55.574 0.000 1 232 23 23 LEU CB C 42.386 0.201 1 233 23 23 LEU CG C 26.762 0.020 1 234 23 23 LEU CD1 C 26.340 0.037 2 235 23 23 LEU CD2 C 21.774 0.028 2 236 23 23 LEU N N 129.382 0.000 1 237 24 24 GLY H H 7.559 0.000 1 238 24 24 GLY HA2 H 4.149 0.000 2 239 24 24 GLY HA3 H 4.087 0.098 2 240 24 24 GLY CA C 45.984 0.024 1 241 24 24 GLY N N 104.715 0.000 1 242 25 25 VAL H H 8.431 0.000 1 243 25 25 VAL HA H 4.647 0.000 1 244 25 25 VAL HB H 1.797 0.000 1 245 25 25 VAL HG1 H 0.692 0.000 2 246 25 25 VAL HG2 H 0.788 0.000 2 247 25 25 VAL CA C 61.477 0.000 1 248 25 25 VAL CB C 35.733 0.000 1 249 25 25 VAL CG1 C 21.480 0.000 2 250 25 25 VAL CG2 C 21.910 0.000 2 251 25 25 VAL N N 120.337 0.000 1 252 26 26 SER H H 8.614 0.007 1 253 26 26 SER HA H 4.658 0.000 1 254 26 26 SER HB2 H 3.697 0.016 2 255 26 26 SER HB3 H 3.650 0.000 2 256 26 26 SER CA C 56.395 0.000 1 257 26 26 SER CB C 63.731 0.006 1 258 26 26 SER N N 121.660 0.000 1 259 27 27 GLY H H 8.916 0.000 1 260 27 27 GLY HA2 H 3.686 0.002 2 261 27 27 GLY CA C 47.462 0.006 1 262 27 27 GLY N N 118.321 0.000 1 263 28 28 GLN H H 8.814 0.001 1 264 28 28 GLN HA H 4.318 0.000 1 265 28 28 GLN HB2 H 2.375 0.011 2 266 28 28 GLN HB3 H 1.986 0.005 2 267 28 28 GLN HG2 H 2.379 0.016 2 268 28 28 GLN HG3 H 2.379 0.016 2 269 28 28 GLN HE21 H 6.851 0.004 2 270 28 28 GLN HE22 H 7.675 0.000 2 271 28 28 GLN CA C 55.105 0.000 1 272 28 28 GLN CB C 29.738 0.109 1 273 28 28 GLN CG C 34.285 0.044 1 274 28 28 GLN N N 124.491 0.047 1 275 28 28 GLN NE2 N 113.388 0.007 1 276 29 29 GLN H H 8.310 0.009 1 277 29 29 GLN HA H 4.663 0.002 1 278 29 29 GLN HB2 H 2.083 0.020 2 279 29 29 GLN HB3 H 1.989 0.029 2 280 29 29 GLN HG2 H 2.298 0.002 2 281 29 29 GLN HG3 H 2.104 0.000 2 282 29 29 GLN HE21 H 6.982 0.007 2 283 29 29 GLN HE22 H 7.468 0.007 2 284 29 29 GLN CA C 55.384 0.046 1 285 29 29 GLN CB C 31.370 0.023 1 286 29 29 GLN CG C 34.629 0.019 1 287 29 29 GLN N N 117.410 0.071 1 288 29 29 GLN NE2 N 111.767 0.057 1 289 30 30 VAL H H 9.146 0.039 1 290 30 30 VAL HA H 4.550 0.000 1 291 30 30 VAL HB H 1.986 0.002 1 292 30 30 VAL HG1 H 0.923 0.000 2 293 30 30 VAL HG2 H 0.848 0.000 2 294 30 30 VAL CA C 60.630 0.000 1 295 30 30 VAL CB C 34.546 0.092 1 296 30 30 VAL CG1 C 22.580 0.000 2 297 30 30 VAL CG2 C 22.651 0.000 2 298 30 30 VAL N N 123.844 0.000 1 299 31 31 ARG H H 8.742 0.008 1 300 31 31 ARG HA H 4.651 0.000 1 301 31 31 ARG HB2 H 1.605 0.006 2 302 31 31 ARG HB3 H 1.498 0.004 2 303 31 31 ARG HG2 H 1.422 0.018 2 304 31 31 ARG HG3 H 1.393 0.035 2 305 31 31 ARG HD2 H 3.076 0.007 2 306 31 31 ARG HD3 H 3.064 0.009 2 307 31 31 ARG HE H 7.558 0.005 1 308 31 31 ARG CA C 55.755 0.000 1 309 31 31 ARG CB C 31.847 0.034 1 310 31 31 ARG CG C 28.136 0.055 1 311 31 31 ARG CD C 43.558 0.042 1 312 31 31 ARG N N 128.326 0.000 1 313 31 31 ARG NE N 84.833 0.089 1 314 32 32 ILE H H 9.018 0.011 1 315 32 32 ILE HA H 4.633 0.000 1 316 32 32 ILE HB H 1.712 0.000 1 317 32 32 ILE HG12 H 1.418 0.007 2 318 32 32 ILE HG13 H 0.862 0.003 2 319 32 32 ILE HG2 H 0.599 0.000 1 320 32 32 ILE HD1 H 0.541 0.000 1 321 32 32 ILE CA C 59.786 0.000 1 322 32 32 ILE CB C 40.704 0.000 1 323 32 32 ILE CG1 C 28.026 0.101 1 324 32 32 ILE CG2 C 18.341 0.000 1 325 32 32 ILE CD1 C 14.011 0.000 1 326 32 32 ILE N N 127.673 0.000 1 327 33 33 GLY H H 9.193 0.000 1 328 33 33 GLY HA2 H 3.570 0.005 2 329 33 33 GLY HA3 H 4.080 0.711 2 330 33 33 GLY CA C 44.712 0.047 1 331 33 33 GLY N N 112.593 0.000 1 332 34 34 ILE H H 9.635 0.006 1 333 34 34 ILE HA H 4.803 0.000 1 334 34 34 ILE HB H 1.462 0.094 1 335 34 34 ILE HG12 H 1.285 0.000 2 336 34 34 ILE HG13 H 0.785 0.000 2 337 34 34 ILE HG2 H 0.620 0.000 1 338 34 34 ILE HD1 H 0.561 0.012 1 339 34 34 ILE CA C 60.898 0.000 1 340 34 34 ILE CB C 41.105 0.027 1 341 34 34 ILE CG1 C 29.325 0.002 1 342 34 34 ILE CG2 C 19.483 0.000 1 343 34 34 ILE CD1 C 16.101 0.000 1 344 34 34 ILE N N 125.160 0.050 1 345 35 35 ASN H H 9.012 0.051 1 346 35 35 ASN HA H 5.090 0.000 1 347 35 35 ASN HB2 H 2.805 0.000 2 348 35 35 ASN HB3 H 2.553 0.000 2 349 35 35 ASN HD21 H 6.735 0.000 2 350 35 35 ASN HD22 H 7.344 0.000 2 351 35 35 ASN CA C 52.111 0.000 1 352 35 35 ASN CB C 40.176 0.062 1 353 35 35 ASN N N 129.265 0.000 1 354 35 35 ASN ND2 N 112.624 0.019 1 355 36 36 ALA H H 8.239 0.003 1 356 36 36 ALA HA H 5.060 0.000 1 357 36 36 ALA HB H 1.068 0.012 1 358 36 36 ALA CA C 49.329 0.000 1 359 36 36 ALA CB C 19.983 0.029 1 360 36 36 ALA N N 125.567 0.029 1 361 37 37 PRO HA H 4.409 0.000 1 362 37 37 PRO HB2 H 2.410 0.000 2 363 37 37 PRO HG2 H 2.070 0.000 2 364 37 37 PRO HG3 H 1.916 0.000 2 365 37 37 PRO HD2 H 3.937 0.000 2 366 37 37 PRO HD3 H 3.052 0.000 2 367 37 37 PRO CA C 62.901 0.000 1 368 37 37 PRO CB C 32.399 0.000 1 369 37 37 PRO CG C 28.081 0.078 1 370 37 37 PRO CD C 50.474 0.001 1 371 38 38 LYS H H 8.559 0.000 1 372 38 38 LYS HA H 3.771 0.008 1 373 38 38 LYS HB2 H 1.699 0.007 2 374 38 38 LYS HG2 H 1.427 0.006 2 375 38 38 LYS HG3 H 1.405 0.017 2 376 38 38 LYS HD2 H 1.540 0.004 2 377 38 38 LYS HD3 H 1.521 0.012 2 378 38 38 LYS HE2 H 2.945 0.013 2 379 38 38 LYS HE3 H 2.945 0.013 2 380 38 38 LYS CA C 58.837 0.057 1 381 38 38 LYS CB C 31.852 0.109 1 382 38 38 LYS CG C 25.111 0.003 1 383 38 38 LYS CD C 28.454 0.046 1 384 38 38 LYS CE C 42.111 0.082 1 385 38 38 LYS N N 121.055 0.000 1 386 39 39 ASP H H 8.139 0.005 1 387 39 39 ASP HA H 4.341 0.000 1 388 39 39 ASP HB2 H 2.650 0.000 2 389 39 39 ASP HB3 H 2.539 0.000 2 390 39 39 ASP CA C 54.031 0.000 1 391 39 39 ASP CB C 39.804 0.007 1 392 39 39 ASP N N 113.847 0.086 1 393 40 40 VAL H H 8.009 0.000 1 394 40 40 VAL HA H 3.951 0.007 1 395 40 40 VAL HB H 2.054 0.009 1 396 40 40 VAL HG1 H 0.792 0.013 2 397 40 40 VAL HG2 H 0.657 0.002 2 398 40 40 VAL CA C 61.918 0.000 1 399 40 40 VAL CB C 31.881 0.027 1 400 40 40 VAL CG1 C 21.313 0.080 2 401 40 40 VAL CG2 C 21.009 0.038 2 402 40 40 VAL N N 122.630 0.055 1 403 41 41 ALA H H 8.876 0.000 1 404 41 41 ALA HA H 4.447 0.010 1 405 41 41 ALA HB H 1.296 0.006 1 406 41 41 ALA CA C 52.249 0.157 1 407 41 41 ALA CB C 19.087 0.134 1 408 41 41 ALA N N 133.597 0.000 1 409 42 42 VAL H H 7.805 0.013 1 410 42 42 VAL HA H 4.404 0.033 1 411 42 42 VAL HB H 1.120 0.000 1 412 42 42 VAL HG1 H 0.587 0.002 2 413 42 42 VAL HG2 H 0.344 0.012 2 414 42 42 VAL CA C 60.587 0.000 1 415 42 42 VAL CB C 33.644 0.000 1 416 42 42 VAL CG1 C 20.220 0.024 2 417 42 42 VAL CG2 C 22.110 0.017 2 418 42 42 VAL N N 125.047 0.033 1 419 43 43 HIS H H 8.657 0.002 1 420 43 43 HIS HA H 5.481 0.005 1 421 43 43 HIS HB2 H 3.311 0.005 2 422 43 43 HIS HB3 H 2.550 0.002 2 423 43 43 HIS HD2 H 6.980 0.017 1 424 43 43 HIS HE1 H 7.764 0.000 1 425 43 43 HIS CA C 53.970 0.064 1 426 43 43 HIS CB C 37.457 0.004 1 427 43 43 HIS CD2 C 117.358 0.000 1 428 43 43 HIS CE1 C 139.124 0.000 1 429 43 43 HIS N N 118.998 0.028 1 430 44 44 ARG H H 8.949 0.000 1 431 44 44 ARG HA H 3.929 0.000 1 432 44 44 ARG HD2 H 3.308 0.009 2 433 44 44 ARG HD3 H 3.308 0.009 2 434 44 44 ARG CA C 58.401 0.000 1 435 44 44 ARG CD C 43.263 0.166 1 436 44 44 ARG N N 122.532 0.000 1 437 45 45 GLU H H 7.878 0.013 1 438 45 45 GLU HA H 4.351 0.003 1 439 45 45 GLU HB2 H 1.985 0.000 2 440 45 45 GLU HB3 H 1.948 0.006 2 441 45 45 GLU HG2 H 2.375 0.005 2 442 45 45 GLU HG3 H 2.217 0.015 2 443 45 45 GLU CA C 59.692 0.000 1 444 45 45 GLU CB C 30.052 0.022 1 445 45 45 GLU CG C 35.814 0.036 1 446 45 45 GLU N N 126.110 0.000 1 447 46 46 GLU H H 10.784 0.010 1 448 46 46 GLU HA H 4.251 0.000 1 449 46 46 GLU HB2 H 2.242 0.000 2 450 46 46 GLU HB3 H 1.901 0.000 2 451 46 46 GLU HG2 H 2.568 0.005 2 452 46 46 GLU HG3 H 2.305 0.000 2 453 46 46 GLU CA C 58.705 0.000 1 454 46 46 GLU CB C 27.062 0.048 1 455 46 46 GLU CG C 34.934 0.046 1 456 46 46 GLU N N 118.207 0.000 1 457 47 47 ILE H H 7.229 0.011 1 458 47 47 ILE HA H 3.827 0.005 1 459 47 47 ILE HB H 2.111 0.000 1 460 47 47 ILE HG12 H 1.416 0.004 2 461 47 47 ILE HG13 H 1.255 0.005 2 462 47 47 ILE HG2 H 0.578 0.030 1 463 47 47 ILE HD1 H 0.584 0.041 1 464 47 47 ILE CA C 61.180 0.040 1 465 47 47 ILE CB C 34.717 0.000 1 466 47 47 ILE CG1 C 27.018 0.102 1 467 47 47 ILE CG2 C 16.900 0.000 1 468 47 47 ILE CD1 C 8.891 0.000 1 469 47 47 ILE N N 122.316 0.123 1 470 48 48 TYR H H 8.124 0.005 1 471 48 48 TYR HA H 3.645 0.001 1 472 48 48 TYR HB2 H 3.230 0.000 2 473 48 48 TYR HB3 H 2.764 0.004 2 474 48 48 TYR HD1 H 6.905 0.011 3 475 48 48 TYR HD2 H 6.905 0.011 3 476 48 48 TYR HE1 H 6.708 0.001 3 477 48 48 TYR HE2 H 6.708 0.001 3 478 48 48 TYR CA C 62.072 0.000 1 479 48 48 TYR CB C 39.049 0.007 1 480 48 48 TYR CD1 C 133.199 0.000 3 481 48 48 TYR CE1 C 118.476 0.000 3 482 48 48 TYR N N 122.269 0.046 1 483 49 49 GLN H H 8.604 0.004 1 484 49 49 GLN HA H 3.836 0.001 1 485 49 49 GLN HB2 H 2.022 0.000 2 486 49 49 GLN HB3 H 1.995 0.000 2 487 49 49 GLN HG2 H 2.472 0.000 2 488 49 49 GLN HG3 H 2.589 0.005 2 489 49 49 GLN HE21 H 6.743 0.001 2 490 49 49 GLN HE22 H 7.469 0.010 2 491 49 49 GLN CA C 58.471 0.000 1 492 49 49 GLN CB C 28.183 0.000 1 493 49 49 GLN CG C 33.859 0.009 1 494 49 49 GLN N N 115.409 0.016 1 495 49 49 GLN NE2 N 111.139 0.017 1 496 50 50 ARG H H 7.165 0.002 1 497 50 50 ARG HA H 3.989 0.003 1 498 50 50 ARG HB2 H 1.876 0.007 2 499 50 50 ARG HB3 H 1.836 0.029 2 500 50 50 ARG HG2 H 1.773 0.000 2 501 50 50 ARG HG3 H 1.566 0.004 2 502 50 50 ARG HD2 H 3.095 0.018 2 503 50 50 ARG HD3 H 3.060 0.004 2 504 50 50 ARG CA C 59.002 0.000 1 505 50 50 ARG CB C 30.411 0.009 1 506 50 50 ARG CG C 27.264 0.060 1 507 50 50 ARG CD C 43.842 0.126 1 508 50 50 ARG N N 120.065 0.000 1 509 51 51 ILE H H 7.884 0.001 1 510 51 51 ILE HA H 3.617 0.000 1 511 51 51 ILE HB H 1.597 0.003 1 512 51 51 ILE HG12 H 1.321 0.000 2 513 51 51 ILE HG13 H 0.768 0.000 2 514 51 51 ILE HG2 H 0.651 0.001 1 515 51 51 ILE HD1 H 0.305 0.013 1 516 51 51 ILE CA C 64.243 0.000 1 517 51 51 ILE CB C 38.001 0.090 1 518 51 51 ILE CG1 C 28.440 0.041 1 519 51 51 ILE CG2 C 16.746 0.000 1 520 51 51 ILE CD1 C 13.233 0.000 1 521 51 51 ILE N N 120.716 0.021 1 522 52 52 GLN H H 7.905 0.000 1 523 52 52 GLN HA H 3.807 0.000 1 524 52 52 GLN HB2 H 1.933 0.000 2 525 52 52 GLN HB3 H 1.743 0.001 2 526 52 52 GLN HG2 H 1.964 0.002 2 527 52 52 GLN HG3 H 1.873 0.003 2 528 52 52 GLN HE21 H 6.447 0.002 2 529 52 52 GLN HE22 H 6.726 0.009 2 530 52 52 GLN CA C 57.372 0.000 1 531 52 52 GLN CB C 28.185 0.009 1 532 52 52 GLN CG C 33.317 0.010 1 533 52 52 GLN N N 118.921 0.002 1 534 52 52 GLN NE2 N 112.675 0.038 1 535 53 53 ALA H H 7.601 0.000 1 536 53 53 ALA HA H 4.169 0.000 1 537 53 53 ALA HB H 1.387 0.000 1 538 53 53 ALA CA C 53.093 0.000 1 539 53 53 ALA CB C 18.574 0.000 1 540 53 53 ALA N N 120.638 0.000 1 541 54 54 GLY H H 7.720 0.000 1 542 54 54 GLY HA2 H 3.890 0.000 2 543 54 54 GLY HA3 H 3.859 0.000 2 544 54 54 GLY CA C 45.517 0.003 1 545 54 54 GLY N N 105.799 0.000 1 546 55 55 LEU H H 7.687 0.000 1 547 55 55 LEU HA H 4.322 0.000 1 548 55 55 LEU HB2 H 1.608 0.000 2 549 55 55 LEU HB3 H 1.516 0.000 2 550 55 55 LEU HG H 1.621 0.000 1 551 55 55 LEU HD1 H 0.822 0.000 2 552 55 55 LEU HD2 H 0.778 0.000 2 553 55 55 LEU CA C 55.256 0.000 1 554 55 55 LEU CB C 42.263 0.008 1 555 55 55 LEU CG C 26.783 0.000 1 556 55 55 LEU CD1 C 25.082 0.000 2 557 55 55 LEU CD2 C 22.917 0.000 2 558 55 55 LEU N N 120.711 0.000 1 559 56 56 THR H H 7.746 0.000 1 560 56 56 THR HA H 4.245 0.000 1 561 56 56 THR HB H 4.108 0.000 1 562 56 56 THR HG2 H 1.088 0.045 1 563 56 56 THR CA C 61.383 0.000 1 564 56 56 THR CB C 69.836 0.000 1 565 56 56 THR CG2 C 21.413 0.000 1 566 56 56 THR N N 113.068 0.000 1 567 57 57 ALA H H 8.065 0.000 1 568 57 57 ALA HA H 4.491 0.000 1 569 57 57 ALA HB H 1.296 0.000 1 570 57 57 ALA CA C 50.540 0.000 1 571 57 57 ALA CB C 18.338 0.000 1 572 57 57 ALA N N 127.221 0.000 1 573 58 58 PRO HA H 4.315 0.000 1 574 58 58 PRO HB2 H 2.205 0.000 2 575 58 58 PRO HB3 H 1.850 0.000 2 576 58 58 PRO HG2 H 1.923 0.000 2 577 58 58 PRO HG3 H 1.923 0.000 2 578 58 58 PRO HD2 H 3.675 0.000 2 579 58 58 PRO HD3 H 3.581 0.000 2 580 58 58 PRO CA C 63.349 0.000 1 581 58 58 PRO CB C 31.930 0.004 1 582 58 58 PRO CG C 27.272 0.000 1 583 58 58 PRO CD C 50.406 0.007 1 584 59 59 ASP H H 8.240 0.000 1 585 59 59 ASP HA H 4.479 0.000 1 586 59 59 ASP HB2 H 2.608 0.000 2 587 59 59 ASP HB3 H 2.583 0.000 2 588 59 59 ASP CA C 54.116 0.000 1 589 59 59 ASP CB C 41.044 0.000 1 590 59 59 ASP N N 119.199 0.000 1 591 60 60 LYS H H 8.047 0.000 1 592 60 60 LYS HA H 4.230 0.000 1 593 60 60 LYS HB2 H 1.815 0.000 2 594 60 60 LYS HB3 H 1.693 0.000 2 595 60 60 LYS HG2 H 1.367 0.000 2 596 60 60 LYS HG3 H 1.316 0.000 2 597 60 60 LYS HD2 H 1.613 0.000 2 598 60 60 LYS HD3 H 1.613 0.000 2 599 60 60 LYS HE2 H 2.939 0.000 2 600 60 60 LYS HE3 H 2.939 0.000 2 601 60 60 LYS CA C 56.069 0.000 1 602 60 60 LYS CB C 32.657 0.017 1 603 60 60 LYS CG C 24.632 0.011 1 604 60 60 LYS CD C 28.791 0.000 1 605 60 60 LYS CE C 41.898 0.000 1 606 60 60 LYS N N 121.519 0.000 1 607 61 61 ARG H H 8.165 0.000 1 608 61 61 ARG HA H 4.245 0.016 1 609 61 61 ARG HB2 H 1.792 0.005 2 610 61 61 ARG HB3 H 1.728 0.000 2 611 61 61 ARG HG2 H 1.575 0.000 2 612 61 61 ARG HG3 H 1.575 0.000 2 613 61 61 ARG HD2 H 3.130 0.003 2 614 61 61 ARG HD3 H 3.130 0.003 2 615 61 61 ARG CA C 56.056 0.000 1 616 61 61 ARG CB C 30.733 0.004 1 617 61 61 ARG CG C 27.045 0.000 1 618 61 61 ARG CD C 43.486 0.169 1 619 61 61 ARG N N 121.771 0.000 1 620 62 62 GLU H H 8.319 0.000 1 621 62 62 GLU HA H 4.288 0.000 1 622 62 62 GLU HB2 H 1.986 0.000 2 623 62 62 GLU HB3 H 1.862 0.000 2 624 62 62 GLU HG2 H 2.196 0.000 2 625 62 62 GLU HG3 H 2.159 0.000 2 626 62 62 GLU CA C 56.238 0.000 1 627 62 62 GLU CB C 30.401 0.006 1 628 62 62 GLU CG C 36.222 0.012 1 629 62 62 GLU N N 121.695 0.000 1 630 63 63 THR H H 8.121 0.000 1 631 63 63 THR HA H 4.523 0.000 1 632 63 63 THR HB H 4.063 0.000 1 633 63 63 THR HG2 H 1.114 0.000 1 634 63 63 THR CA C 59.521 0.000 1 635 63 63 THR CB C 69.604 0.000 1 636 63 63 THR CG2 C 21.509 0.000 1 637 63 63 THR N N 117.429 0.000 1 638 64 64 PRO HA H 4.315 0.000 1 639 64 64 PRO HB2 H 2.154 0.000 2 640 64 64 PRO HB3 H 1.669 0.000 2 641 64 64 PRO HG2 H 1.863 0.000 2 642 64 64 PRO HG3 H 1.863 0.000 2 643 64 64 PRO HD2 H 3.582 0.000 2 644 64 64 PRO HD3 H 3.733 0.000 2 645 64 64 PRO CA C 63.349 0.000 1 646 64 64 PRO CB C 31.944 0.012 1 647 64 64 PRO CG C 27.274 0.000 1 648 64 64 PRO CD C 50.967 0.003 1 649 65 65 HIS HA H 4.341 0.000 1 650 65 65 HIS HB2 H 3.088 0.000 2 651 65 65 HIS HB3 H 2.942 0.000 2 652 65 65 HIS CA C 57.503 0.000 1 653 65 65 HIS CB C 30.994 0.065 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '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 SL4(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 55 1 G H1 H 12.636 0.000 1 2 55 1 G H1' H 5.791 0.006 1 3 55 1 G H2' H 4.873 0.003 1 4 55 1 G H3' H 4.663 0.001 1 5 55 1 G H4' H 4.528 0.000 1 6 55 1 G H5' H 4.375 0.000 2 7 55 1 G H5'' H 4.237 0.000 2 8 55 1 G H8 H 8.091 0.008 1 9 55 1 G C1' C 92.044 0.000 1 10 55 1 G C2' C 75.285 0.006 1 11 55 1 G C3' C 74.837 0.000 1 12 55 1 G C4' C 83.360 0.000 1 13 55 1 G C5' C 67.144 0.008 1 14 55 1 G C8 C 139.200 0.000 1 15 55 1 G N1 N 147.626 0.000 1 16 56 2 G H1 H 12.766 0.006 1 17 56 2 G H1' H 5.906 0.004 1 18 56 2 G H2' H 4.716 0.002 1 19 56 2 G H3' H 4.535 0.000 1 20 56 2 G H4' H 4.516 0.001 1 21 56 2 G H5' H 4.477 0.000 2 22 56 2 G H5'' H 4.223 0.001 2 23 56 2 G H8 H 7.526 0.004 1 24 56 2 G C1' C 92.907 0.009 1 25 56 2 G C2' C 75.720 0.014 1 26 56 2 G C3' C 73.288 0.059 1 27 56 2 G C4' C 82.433 0.033 1 28 56 2 G C5' C 66.195 0.012 1 29 56 2 G C8 C 136.978 0.000 1 30 56 2 G N1 N 147.587 0.000 1 31 57 3 G H1 H 13.183 0.001 1 32 57 3 G H1' H 5.753 0.008 1 33 57 3 G H2' H 4.502 0.010 1 34 57 3 G H3' H 4.392 0.000 1 35 57 3 G H4' H 4.491 0.000 1 36 57 3 G H5' H 4.460 0.002 2 37 57 3 G H5'' H 4.068 0.001 2 38 57 3 G H8 H 7.150 0.006 1 39 57 3 G C1' C 93.374 0.005 1 40 57 3 G C2' C 75.431 0.012 1 41 57 3 G C3' C 73.243 0.000 1 42 57 3 G C4' C 82.404 0.033 1 43 57 3 G C5' C 65.913 0.057 1 44 57 3 G C8 C 136.247 0.017 1 45 57 3 G N1 N 148.489 0.000 1 46 58 4 U H1' H 5.531 0.009 1 47 58 4 U H2' H 4.501 0.007 1 48 58 4 U H3 H 14.178 0.003 1 49 58 4 U H3' H 4.450 0.009 1 50 58 4 U H4' H 4.395 0.002 1 51 58 4 U H5 H 5.012 0.010 1 52 58 4 U H5' H 4.508 0.001 2 53 58 4 U H5'' H 4.058 0.007 2 54 58 4 U H6 H 7.694 0.010 1 55 58 4 U C1' C 93.629 0.048 1 56 58 4 U C2' C 75.431 0.078 1 57 58 4 U C3' C 72.282 0.020 1 58 58 4 U C4' C 82.193 0.020 1 59 58 4 U C5 C 102.638 0.092 1 60 58 4 U C5' C 64.391 0.046 1 61 58 4 U C6 C 141.756 0.059 1 62 58 4 U N3 N 162.751 0.000 1 63 59 5 C H1' H 5.541 0.009 1 64 59 5 C H2' H 4.627 0.004 1 65 59 5 C H3' H 4.502 0.003 1 66 59 5 C H4' H 4.450 0.002 1 67 59 5 C H5 H 5.625 0.012 1 68 59 5 C H5' H 4.476 0.000 2 69 59 5 C H5'' H 4.106 0.013 2 70 59 5 C H6 H 7.723 0.006 1 71 59 5 C H41 H 8.219 0.003 2 72 59 5 C H42 H 6.745 0.006 2 73 59 5 C C1' C 93.994 0.032 1 74 59 5 C C2' C 75.712 0.034 1 75 59 5 C C3' C 73.225 0.018 1 76 59 5 C C4' C 82.225 0.044 1 77 59 5 C C5 C 98.368 0.076 1 78 59 5 C C5' C 65.576 0.101 1 79 59 5 C C6 C 141.376 0.031 1 80 59 5 C N4 N 97.061 0.007 1 81 60 6 A H1' H 5.822 0.007 1 82 60 6 A H2 H 7.218 0.006 1 83 60 6 A H2' H 4.499 0.010 1 84 60 6 A H3' H 4.393 0.006 1 85 60 6 A H4' H 4.463 0.004 1 86 60 6 A H5' H 4.447 0.004 2 87 60 6 A H5'' H 4.108 0.010 2 88 60 6 A H8 H 7.945 0.013 1 89 60 6 A C1' C 93.295 0.054 1 90 60 6 A C2 C 152.934 0.036 1 91 60 6 A C2' C 75.496 0.018 1 92 60 6 A C3' C 73.320 0.076 1 93 60 6 A C4' C 82.109 0.018 1 94 60 6 A C5' C 66.159 0.088 1 95 60 6 A C8 C 139.790 0.044 1 96 61 7 U H1' H 5.357 0.015 1 97 61 7 U H2' H 4.495 0.006 1 98 61 7 U H3 H 13.970 0.002 1 99 61 7 U H3' H 4.271 0.012 1 100 61 7 U H4' H 4.345 0.008 1 101 61 7 U H5 H 4.925 0.013 1 102 61 7 U H5' H 4.452 0.009 2 103 61 7 U H5'' H 4.011 0.007 2 104 61 7 U H6 H 7.379 0.007 1 105 61 7 U C1' C 93.385 0.027 1 106 61 7 U C2' C 75.461 0.022 1 107 61 7 U C3' C 72.840 0.027 1 108 61 7 U C4' C 82.046 0.015 1 109 61 7 U C5 C 102.543 0.123 1 110 61 7 U C5' C 64.873 0.049 1 111 61 7 U C6 C 141.345 0.043 1 112 61 7 U N3 N 162.577 0.000 1 113 62 8 C H1' H 5.287 0.030 1 114 62 8 C H2' H 4.838 0.001 1 115 62 8 C H3' H 4.337 0.000 1 116 62 8 C H4' H 4.495 0.000 1 117 62 8 C H5 H 5.353 0.005 1 118 62 8 C H6 H 7.414 0.006 1 119 62 8 C H41 H 7.657 0.006 2 120 62 8 C H42 H 6.985 0.003 2 121 62 8 C C1' C 95.256 0.054 1 122 62 8 C C2' C 75.443 0.027 1 123 62 8 C C3' C 72.452 0.000 1 124 62 8 C C4' C 82.163 0.000 1 125 62 8 C C5 C 97.756 0.030 1 126 62 8 C C6 C 141.207 0.024 1 127 62 8 C N4 N 96.182 0.015 1 128 63 9 A H1' H 6.123 0.007 1 129 63 9 A H2 H 8.063 0.012 1 130 63 9 A H2' H 4.398 0.004 1 131 63 9 A H3' H 4.674 0.011 1 132 63 9 A H5'' H 4.044 0.004 2 133 63 9 A H8 H 8.244 0.009 1 134 63 9 A C1' C 91.186 0.012 1 135 63 9 A C2 C 155.674 0.101 1 136 63 9 A C2' C 77.861 0.037 1 137 63 9 A C3' C 76.995 0.101 1 138 63 9 A C5' C 66.281 0.008 1 139 63 9 A C8 C 141.004 0.081 1 140 64 10 G H1 H 12.206 0.000 1 141 64 10 G H1' H 5.280 0.006 1 142 64 10 G H2' H 4.368 0.007 1 143 64 10 G H3' H 4.681 0.005 1 144 64 10 G H4' H 4.146 0.011 1 145 64 10 G H5' H 4.472 0.008 2 146 64 10 G H5'' H 3.924 0.018 2 147 64 10 G H8 H 7.564 0.013 1 148 64 10 G C1' C 92.798 0.029 1 149 64 10 G C2' C 77.924 0.038 1 150 64 10 G C3' C 79.341 0.035 1 151 64 10 G C4' C 88.173 0.018 1 152 64 10 G C5' C 67.769 0.026 1 153 64 10 G C8 C 139.511 0.050 1 154 64 10 G N1 N 147.418 0.000 1 155 65 11 G H1 H 11.455 0.011 1 156 65 11 G H1' H 5.753 0.014 1 157 65 11 G H2' H 4.503 0.003 1 158 65 11 G H3' H 4.577 0.001 1 159 65 11 G H4' H 4.255 0.014 1 160 65 11 G H5' H 3.600 0.012 2 161 65 11 G H8 H 8.463 0.006 1 162 65 11 G C1' C 88.560 0.021 1 163 65 11 G C2' C 79.177 0.035 1 164 65 11 G C3' C 79.041 0.046 1 165 65 11 G C4' C 87.458 0.089 1 166 65 11 G C5' C 67.672 0.046 1 167 65 11 G C8 C 141.160 0.035 1 168 65 11 G N1 N 146.187 0.000 1 169 66 12 A H1' H 6.448 0.008 1 170 66 12 A H2 H 8.476 0.014 1 171 66 12 A H2' H 4.316 0.008 1 172 66 12 A H3' H 5.074 0.010 1 173 66 12 A H4' H 4.517 0.004 1 174 66 12 A H5' H 4.450 0.011 2 175 66 12 A H5'' H 4.257 0.011 2 176 66 12 A H8 H 9.069 0.019 1 177 66 12 A C1' C 90.482 0.032 1 178 66 12 A C2 C 156.892 0.047 1 179 66 12 A C2' C 78.498 0.045 1 180 66 12 A C3' C 75.132 0.039 1 181 66 12 A C4' C 81.995 0.038 1 182 66 12 A C5' C 68.644 0.065 1 183 66 12 A C8 C 142.071 0.096 1 184 67 13 C H1' H 5.859 0.007 1 185 67 13 C H2' H 4.250 0.006 1 186 67 13 C H3' H 4.487 0.003 1 187 67 13 C H4' H 4.203 0.006 1 188 67 13 C H5 H 6.038 0.013 1 189 67 13 C H5' H 4.219 0.004 2 190 67 13 C H5'' H 4.038 0.003 2 191 67 13 C H6 H 7.695 0.003 1 192 67 13 C C1' C 92.319 0.039 1 193 67 13 C C2' C 76.595 0.006 1 194 67 13 C C3' C 76.643 0.021 1 195 67 13 C C4' C 84.993 0.037 1 196 67 13 C C5 C 99.090 0.073 1 197 67 13 C C5' C 68.580 0.039 1 198 67 13 C C6 C 144.101 0.018 1 199 68 14 G H1 H 12.331 0.006 1 200 68 14 G H1' H 5.100 0.006 1 201 68 14 G H2' H 4.711 0.007 1 202 68 14 G H3' H 4.455 0.006 1 203 68 14 G H4' H 4.236 0.010 1 204 68 14 G H5' H 4.074 0.007 2 205 68 14 G H5'' H 4.033 0.010 2 206 68 14 G H8 H 7.308 0.009 1 207 68 14 G C1' C 93.155 0.060 1 208 68 14 G C2' C 75.462 0.091 1 209 68 14 G C3' C 74.370 0.042 1 210 68 14 G C4' C 82.669 0.042 1 211 68 14 G C5' C 67.211 0.076 1 212 68 14 G C8 C 136.638 0.054 1 213 68 14 G N1 N 147.485 0.000 1 214 69 15 A H1' H 6.024 0.011 1 215 69 15 A H2 H 7.757 0.014 1 216 69 15 A H2' H 4.664 0.006 1 217 69 15 A H3' H 4.576 0.004 1 218 69 15 A H4' H 4.558 0.006 1 219 69 15 A H5' H 4.507 0.000 2 220 69 15 A H5'' H 4.097 0.010 2 221 69 15 A H8 H 7.708 0.016 1 222 69 15 A C1' C 93.592 0.011 1 223 69 15 A C2 C 153.879 0.076 1 224 69 15 A C2' C 75.395 0.042 1 225 69 15 A C3' C 72.900 0.065 1 226 69 15 A C4' C 82.418 0.072 1 227 69 15 A C5' C 64.930 0.107 1 228 69 15 A C8 C 139.855 0.141 1 229 70 16 U H1' H 5.574 0.008 1 230 70 16 U H2' H 4.499 0.002 1 231 70 16 U H3 H 13.451 0.001 1 232 70 16 U H3' H 4.522 0.005 1 233 70 16 U H4' H 4.453 0.000 1 234 70 16 U H5 H 4.914 0.009 1 235 70 16 U H5' H 4.571 0.002 2 236 70 16 U H5'' H 4.084 0.006 2 237 70 16 U H6 H 7.583 0.009 1 238 70 16 U C1' C 93.206 0.058 1 239 70 16 U C2' C 75.578 0.010 1 240 70 16 U C3' C 72.879 0.068 1 241 70 16 U C4' C 82.178 0.064 1 242 70 16 U C5 C 102.764 0.062 1 243 70 16 U C5' C 64.861 0.032 1 244 70 16 U C6 C 141.628 0.055 1 245 70 16 U N3 N 162.686 0.000 1 246 71 17 G H1 H 11.722 0.002 1 247 71 17 G H1' H 5.764 0.012 1 248 71 17 G H2' H 4.527 0.009 1 249 71 17 G H3' H 4.665 0.006 1 250 71 17 G H4' H 4.490 0.002 1 251 71 17 G H5' H 4.457 0.003 2 252 71 17 G H5'' H 4.129 0.036 2 253 71 17 G H8 H 7.736 0.014 1 254 71 17 G C1' C 92.673 0.070 1 255 71 17 G C2' C 75.570 0.055 1 256 71 17 G C3' C 73.493 0.032 1 257 71 17 G C4' C 82.385 0.008 1 258 71 17 G C5' C 65.828 0.108 1 259 71 17 G C8 C 137.186 0.042 1 260 71 17 G N1 N 146.330 0.000 1 261 72 18 A H1' H 5.933 0.009 1 262 72 18 A H2 H 7.721 0.011 1 263 72 18 A H2' H 4.471 0.007 1 264 72 18 A H3' H 4.665 0.010 1 265 72 18 A H4' H 4.458 0.007 1 266 72 18 A H5' H 4.575 0.004 2 267 72 18 A H5'' H 4.131 0.010 2 268 72 18 A H8 H 8.012 0.019 1 269 72 18 A C1' C 92.775 0.084 1 270 72 18 A C2 C 154.315 0.125 1 271 72 18 A C2' C 75.491 0.021 1 272 72 18 A C3' C 72.564 0.024 1 273 72 18 A C4' C 82.048 0.041 1 274 72 18 A C5' C 64.853 0.046 1 275 72 18 A C8 C 139.781 0.002 1 276 73 19 C H1' H 5.405 0.008 1 277 73 19 C H2' H 4.178 0.008 1 278 73 19 C H3' H 4.367 0.005 1 279 73 19 C H4' H 4.362 0.004 1 280 73 19 C H5 H 5.154 0.009 1 281 73 19 C H5' H 4.474 0.006 2 282 73 19 C H5'' H 4.021 0.001 2 283 73 19 C H6 H 7.578 0.016 1 284 73 19 C H41 H 8.346 0.010 2 285 73 19 C H42 H 6.778 0.008 2 286 73 19 C C1' C 93.750 0.036 1 287 73 19 C C2' C 75.602 0.000 1 288 73 19 C C3' C 72.338 0.020 1 289 73 19 C C4' C 81.955 0.022 1 290 73 19 C C5 C 97.120 0.050 1 291 73 19 C C5' C 64.662 0.089 1 292 73 19 C C6 C 141.029 0.042 1 293 73 19 C N4 N 98.516 0.001 1 294 74 20 C H1' H 5.469 0.015 1 295 74 20 C H2' H 4.210 0.007 1 296 74 20 C H3' H 4.438 0.004 1 297 74 20 C H4' H 4.341 0.010 1 298 74 20 C H5 H 5.390 0.010 1 299 74 20 C H5' H 4.490 0.004 2 300 74 20 C H5'' H 4.020 0.003 2 301 74 20 C H6 H 7.728 0.010 1 302 74 20 C H41 H 8.424 0.009 2 303 74 20 C H42 H 6.702 0.001 2 304 74 20 C C1' C 94.259 0.000 1 305 74 20 C C2' C 75.772 0.050 1 306 74 20 C C3' C 72.258 0.038 1 307 74 20 C C4' C 82.086 0.093 1 308 74 20 C C5 C 97.695 0.000 1 309 74 20 C C5' C 64.626 0.070 1 310 74 20 C C6 C 141.663 0.047 1 311 74 20 C N4 N 98.089 0.043 1 312 75 21 C H1' H 5.743 0.003 1 313 75 21 C H2' H 3.974 0.005 1 314 75 21 C H3' H 4.153 0.005 1 315 75 21 C H4' H 4.140 0.005 1 316 75 21 C H5 H 5.456 0.006 1 317 75 21 C H5' H 4.445 0.002 2 318 75 21 C H5'' H 4.004 0.005 2 319 75 21 C H6 H 7.658 0.006 1 320 75 21 C C1' C 92.901 0.014 1 321 75 21 C C2' C 77.702 0.000 1 322 75 21 C C3' C 70.026 0.000 1 323 75 21 C C4' C 83.810 0.000 1 324 75 21 C C5 C 98.065 0.000 1 325 75 21 C C5' C 65.316 0.097 1 326 75 21 C C6 C 142.082 0.081 1 stop_ save_