data_19544 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Csr/Rsm protein-RNA recognition - A molecular affinity ruler: RsmZ(SL1)/RsmE(dimer) 2:1 complex ; _BMRB_accession_number 19544 _BMRB_flat_file_name bmr19544.str _Entry_type original _Submission_date 2013-10-10 _Accession_date 2013-10-10 _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" 552 "13C chemical shifts" 360 "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 19546 'RsmZ(SL2)/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(SL1)/RsmE(dimer) 2:1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RsmE_1 $RsmE SL1(RsmZ)_1 $SL1(RsmZ) RsmE_2 $RsmE SL1(RsmZ)_2 $SL1(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 19546 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 19547 RsmE 100.00 65 100.00 100.00 2.60e-37 BMRB 19548 RsmE 100.00 65 100.00 100.00 2.60e-37 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_SL1(RsmZ) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common SL1(RsmZ) _Molecular_mass 7112.354 _Mol_thiol_state 'not present' _Details . _Residue_count 22 _Mol_residue_sequence ; GGGUGUCGACGGAUAGACAC CC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 G 2 -2 G 3 -1 G 4 1 U 5 2 G 6 3 U 7 4 C 8 5 G 9 6 A 10 7 C 11 8 G 12 9 G 13 10 A 14 11 U 15 12 A 16 13 G 17 14 A 18 15 C 19 16 A 20 17 C 21 18 C 22 19 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 $SL1(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 $SL1(RsmZ) 'in vitro transcription' . T7 phage . . 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]' $SL1(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]' $SL1(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]' $SL1(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]' $SL1(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]' $SL1(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]' $SL1(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]' $SL1(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]' $SL1(RsmZ) 1 mM '[U-100% 13C; U-100% 15N]-Cyt/Gua RNA' 'potassium phosphate' 0.05 mM 'natural abundance' 'sodium chloride' 0.03 mM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1Fe3Ff_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_8 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_6 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_8 save_ save_3D_1Fe3Ff_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _Sample_label $sample_6 save_ save_3D_1Fe3Ff_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1Fe3Ff NOESY' _Sample_label $sample_8 save_ save_3D_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_6 save_ save_3D_HCCH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_8 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.18 . M pH 7.2 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_4 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RsmE_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.999 0.005 1 2 1 1 MET HB2 H 1.881 0.012 2 3 1 1 MET HB3 H 1.881 0.012 2 4 1 1 MET HG2 H 2.277 0.011 2 5 1 1 MET HG3 H 2.277 0.011 2 6 1 1 MET HE H 1.902 0.013 1 7 1 1 MET CA C 55.493 0.000 1 8 1 1 MET CB C 34.934 0.029 1 9 1 1 MET CG C 31.111 0.145 1 10 1 1 MET CE C 17.218 0.030 1 11 2 2 LEU H H 8.389 0.008 1 12 2 2 LEU HA H 4.434 0.000 1 13 2 2 LEU HB2 H 1.350 0.017 2 14 2 2 LEU HB3 H 1.070 0.120 2 15 2 2 LEU HG H 0.805 0.009 1 16 2 2 LEU HD1 H -0.291 0.014 2 17 2 2 LEU HD2 H 0.473 0.010 2 18 2 2 LEU CA C 54.276 0.000 1 19 2 2 LEU CB C 42.199 0.079 1 20 2 2 LEU CG C 27.417 0.082 1 21 2 2 LEU CD1 C 25.777 0.033 2 22 2 2 LEU CD2 C 22.283 0.024 2 23 2 2 LEU N N 124.411 0.221 1 24 3 3 ILE H H 10.459 0.012 1 25 3 3 ILE HA H 4.927 0.005 1 26 3 3 ILE HB H 0.722 0.017 1 27 3 3 ILE HG12 H 1.247 0.024 2 28 3 3 ILE HG13 H 0.704 0.000 2 29 3 3 ILE HG2 H 0.213 0.004 1 30 3 3 ILE HD1 H 0.553 0.034 1 31 3 3 ILE CA C 60.154 0.143 1 32 3 3 ILE CB C 37.834 0.065 1 33 3 3 ILE CG1 C 27.450 0.052 1 34 3 3 ILE CG2 C 17.090 0.049 1 35 3 3 ILE CD1 C 13.875 0.000 1 36 3 3 ILE N N 130.539 0.073 1 37 4 4 LEU H H 8.600 0.011 1 38 4 4 LEU HA H 4.860 0.008 1 39 4 4 LEU HB2 H 1.230 0.016 2 40 4 4 LEU HB3 H 0.983 0.020 2 41 4 4 LEU HG H 1.103 0.001 1 42 4 4 LEU HD1 H 0.296 0.057 2 43 4 4 LEU HD2 H 0.106 0.012 2 44 4 4 LEU CA C 52.454 0.060 1 45 4 4 LEU CB C 46.599 0.047 1 46 4 4 LEU CG C 26.469 0.000 1 47 4 4 LEU CD1 C 25.924 0.037 2 48 4 4 LEU CD2 C 22.941 0.021 2 49 4 4 LEU N N 123.187 0.000 1 50 5 5 THR H H 9.416 0.013 1 51 5 5 THR HA H 5.507 0.005 1 52 5 5 THR HB H 4.097 0.013 1 53 5 5 THR HG2 H 1.097 0.054 1 54 5 5 THR CA C 60.401 0.000 1 55 5 5 THR CB C 69.984 0.033 1 56 5 5 THR CG2 C 22.336 0.038 1 57 5 5 THR N N 116.018 0.052 1 58 6 6 ARG H H 9.336 0.045 1 59 6 6 ARG HA H 5.013 0.002 1 60 6 6 ARG HB2 H 1.911 0.006 2 61 6 6 ARG HB3 H 1.662 0.016 2 62 6 6 ARG HD2 H 2.986 0.027 2 63 6 6 ARG HD3 H 2.940 0.000 2 64 6 6 ARG HE H 8.812 0.017 1 65 6 6 ARG CA C 55.534 0.037 1 66 6 6 ARG CB C 38.783 0.031 1 67 6 6 ARG CD C 45.449 0.010 1 68 6 6 ARG N N 123.849 0.036 1 69 6 6 ARG NE N 82.897 0.066 1 70 7 7 LYS H H 9.381 0.007 1 71 7 7 LYS HA H 5.099 0.006 1 72 7 7 LYS HB2 H 1.903 0.000 2 73 7 7 LYS HB3 H 1.420 0.010 2 74 7 7 LYS HG2 H 1.420 0.003 2 75 7 7 LYS HG3 H 1.360 0.018 2 76 7 7 LYS HD2 H 1.686 0.001 2 77 7 7 LYS HD3 H 1.612 0.003 2 78 7 7 LYS HE2 H 2.940 0.006 2 79 7 7 LYS HE3 H 2.940 0.006 2 80 7 7 LYS CA C 54.070 0.000 1 81 7 7 LYS CB C 34.344 0.070 1 82 7 7 LYS CG C 25.518 0.044 1 83 7 7 LYS CD C 29.344 0.050 1 84 7 7 LYS CE C 42.057 0.065 1 85 7 7 LYS N N 123.068 0.034 1 86 8 8 VAL H H 7.682 0.010 1 87 8 8 VAL HA H 3.304 0.002 1 88 8 8 VAL HB H 1.938 0.005 1 89 8 8 VAL HG1 H 1.007 0.008 2 90 8 8 VAL HG2 H 0.859 0.000 2 91 8 8 VAL CA C 65.828 0.000 1 92 8 8 VAL CB C 31.572 0.023 1 93 8 8 VAL CG1 C 23.162 0.000 2 94 8 8 VAL CG2 C 21.200 0.000 2 95 8 8 VAL N N 118.072 0.041 1 96 9 9 GLY H H 9.252 0.004 1 97 9 9 GLY HA2 H 3.609 0.000 2 98 9 9 GLY HA3 H 4.387 0.000 2 99 9 9 GLY CA C 44.535 0.088 1 100 9 9 GLY N N 115.704 0.000 1 101 10 10 GLU H H 8.332 0.004 1 102 10 10 GLU HA H 4.887 0.000 1 103 10 10 GLU HB2 H 2.562 0.018 2 104 10 10 GLU HG2 H 2.156 0.000 2 105 10 10 GLU HG3 H 2.156 0.000 2 106 10 10 GLU CA C 55.758 0.000 1 107 10 10 GLU CB C 32.851 0.059 1 108 10 10 GLU CG C 37.463 0.000 1 109 10 10 GLU N N 119.256 0.000 1 110 11 11 SER H H 8.661 0.011 1 111 11 11 SER HA H 5.879 0.013 1 112 11 11 SER HB2 H 3.607 0.000 2 113 11 11 SER HB3 H 3.493 0.000 2 114 11 11 SER CA C 57.963 0.000 1 115 11 11 SER CB C 66.878 0.001 1 116 11 11 SER N N 112.505 0.027 1 117 12 12 ILE H H 9.320 0.021 1 118 12 12 ILE HA H 4.370 0.000 1 119 12 12 ILE HB H 1.275 0.000 1 120 12 12 ILE HG12 H 1.337 0.000 2 121 12 12 ILE HG13 H 0.534 0.008 2 122 12 12 ILE HG2 H 0.421 0.000 1 123 12 12 ILE HD1 H 0.534 0.003 1 124 12 12 ILE CA C 59.939 0.000 1 125 12 12 ILE CB C 42.722 0.000 1 126 12 12 ILE CG1 C 28.392 0.014 1 127 12 12 ILE CG2 C 17.104 0.000 1 128 12 12 ILE CD1 C 14.885 0.000 1 129 12 12 ILE N N 124.635 0.000 1 130 13 13 ASN H H 9.349 0.000 1 131 13 13 ASN HA H 4.989 0.002 1 132 13 13 ASN HB2 H 2.207 0.001 2 133 13 13 ASN HB3 H 1.885 0.004 2 134 13 13 ASN HD21 H 5.783 0.000 2 135 13 13 ASN HD22 H 6.427 0.000 2 136 13 13 ASN CA C 53.427 0.000 1 137 13 13 ASN CB C 41.434 0.009 1 138 13 13 ASN N N 126.113 0.000 1 139 13 13 ASN ND2 N 107.279 0.001 1 140 14 14 ILE H H 8.417 0.000 1 141 14 14 ILE HA H 4.459 0.000 1 142 14 14 ILE HB H 1.447 0.005 1 143 14 14 ILE HG12 H 1.254 0.000 2 144 14 14 ILE HG13 H 0.783 0.000 2 145 14 14 ILE HG2 H 0.609 0.000 1 146 14 14 ILE HD1 H 0.526 0.000 1 147 14 14 ILE CA C 60.566 0.000 1 148 14 14 ILE CB C 38.528 0.014 1 149 14 14 ILE CG1 C 27.520 0.025 1 150 14 14 ILE CG2 C 17.079 0.000 1 151 14 14 ILE CD1 C 14.129 0.000 1 152 14 14 ILE N N 123.849 0.000 1 153 15 15 GLY H H 9.100 0.020 1 154 15 15 GLY HA2 H 4.041 0.000 2 155 15 15 GLY HA3 H 3.921 0.000 2 156 15 15 GLY CA C 45.936 0.003 1 157 15 15 GLY N N 115.401 0.000 1 158 16 16 ASP H H 8.754 0.000 1 159 16 16 ASP HA H 4.936 0.002 1 160 16 16 ASP HB2 H 2.833 0.000 2 161 16 16 ASP HB3 H 2.503 0.000 2 162 16 16 ASP CA C 55.199 0.000 1 163 16 16 ASP CB C 42.386 0.019 1 164 16 16 ASP N N 120.669 0.000 1 165 17 17 ASP H H 8.143 0.000 1 166 17 17 ASP HA H 4.737 0.000 1 167 17 17 ASP HB2 H 2.689 0.000 2 168 17 17 ASP HB3 H 2.541 0.000 2 169 17 17 ASP CA C 54.077 0.000 1 170 17 17 ASP CB C 42.504 0.024 1 171 17 17 ASP N N 115.502 0.000 1 172 18 18 ILE H H 7.177 0.003 1 173 18 18 ILE HA H 5.221 0.000 1 174 18 18 ILE HB H 2.190 0.000 1 175 18 18 ILE HG12 H 1.761 0.000 2 176 18 18 ILE HG2 H 0.608 0.000 1 177 18 18 ILE HD1 H 0.704 0.000 1 178 18 18 ILE CA C 60.005 0.000 1 179 18 18 ILE CB C 39.650 0.000 1 180 18 18 ILE CG1 C 27.506 0.000 1 181 18 18 ILE CG2 C 17.029 0.000 1 182 18 18 ILE CD1 C 14.042 0.000 1 183 18 18 ILE N N 118.662 0.000 1 184 19 19 THR H H 8.953 0.006 1 185 19 19 THR HA H 5.119 0.000 1 186 19 19 THR HB H 3.816 0.015 1 187 19 19 THR HG2 H 1.000 0.012 1 188 19 19 THR CA C 60.918 0.000 1 189 19 19 THR CB C 71.715 0.000 1 190 19 19 THR CG2 C 21.534 0.000 1 191 19 19 THR N N 122.983 0.000 1 192 20 20 ILE H H 8.934 0.000 1 193 20 20 ILE HA H 4.925 0.000 1 194 20 20 ILE HB H 1.593 0.000 1 195 20 20 ILE HG12 H 1.227 0.000 2 196 20 20 ILE HG13 H 0.925 0.000 2 197 20 20 ILE HG2 H 0.569 0.000 1 198 20 20 ILE HD1 H 0.522 0.000 1 199 20 20 ILE CA C 58.854 0.000 1 200 20 20 ILE CB C 40.376 0.000 1 201 20 20 ILE CG1 C 27.383 0.022 1 202 20 20 ILE CG2 C 17.361 0.000 1 203 20 20 ILE CD1 C 14.251 0.000 1 204 20 20 ILE N N 123.406 0.000 1 205 21 21 THR H H 9.413 0.035 1 206 21 21 THR HA H 4.843 0.000 1 207 21 21 THR HB H 3.357 0.000 1 208 21 21 THR HG2 H 0.870 0.000 1 209 21 21 THR CA C 61.530 0.000 1 210 21 21 THR CB C 71.954 0.000 1 211 21 21 THR CG2 C 21.184 0.000 1 212 21 21 THR N N 123.706 0.000 1 213 22 22 ILE H H 8.081 0.003 1 214 22 22 ILE HA H 4.110 0.000 1 215 22 22 ILE HB H 2.470 0.001 1 216 22 22 ILE HG12 H 1.550 0.000 2 217 22 22 ILE HG13 H 1.009 0.000 2 218 22 22 ILE HG2 H 0.698 0.000 1 219 22 22 ILE HD1 H 0.476 0.000 1 220 22 22 ILE CA C 59.087 0.000 1 221 22 22 ILE CB C 33.926 0.003 1 222 22 22 ILE CG1 C 27.004 0.011 1 223 22 22 ILE CG2 C 18.308 0.000 1 224 22 22 ILE CD1 C 8.935 0.000 1 225 22 22 ILE N N 125.648 0.000 1 226 23 23 LEU H H 8.819 0.006 1 227 23 23 LEU HA H 4.529 0.000 1 228 23 23 LEU HB2 H 1.473 0.005 2 229 23 23 LEU HB3 H 1.274 0.012 2 230 23 23 LEU HG H 1.481 0.010 1 231 23 23 LEU HD1 H 0.697 0.009 2 232 23 23 LEU HD2 H 0.675 0.017 2 233 23 23 LEU CA C 55.574 0.000 1 234 23 23 LEU CB C 42.685 0.041 1 235 23 23 LEU CG C 26.972 0.125 1 236 23 23 LEU CD1 C 26.313 0.086 2 237 23 23 LEU CD2 C 22.060 0.128 2 238 23 23 LEU N N 129.374 0.000 1 239 24 24 GLY H H 7.537 0.001 1 240 24 24 GLY HA2 H 4.136 0.000 2 241 24 24 GLY HA3 H 3.986 0.000 2 242 24 24 GLY CA C 45.905 0.033 1 243 24 24 GLY N N 104.611 0.000 1 244 25 25 VAL H H 8.454 0.000 1 245 25 25 VAL HA H 4.654 0.000 1 246 25 25 VAL HB H 1.778 0.000 1 247 25 25 VAL HG1 H 0.684 0.000 2 248 25 25 VAL HG2 H 0.784 0.000 2 249 25 25 VAL CA C 61.477 0.000 1 250 25 25 VAL CB C 35.740 0.000 1 251 25 25 VAL CG1 C 21.657 0.000 2 252 25 25 VAL CG2 C 21.977 0.000 2 253 25 25 VAL N N 120.900 0.000 1 254 26 26 SER H H 8.571 0.001 1 255 26 26 SER HA H 4.676 0.000 1 256 26 26 SER HB2 H 3.695 0.002 2 257 26 26 SER HB3 H 3.672 0.008 2 258 26 26 SER CA C 56.360 0.000 1 259 26 26 SER CB C 63.802 0.127 1 260 26 26 SER N N 121.619 0.000 1 261 27 27 GLY H H 9.023 0.000 1 262 27 27 GLY HA2 H 3.684 0.005 2 263 27 27 GLY HA3 H 4.094 0.000 2 264 27 27 GLY CA C 47.415 0.003 1 265 27 27 GLY N N 118.284 0.000 1 266 28 28 GLN H H 8.776 0.005 1 267 28 28 GLN HA H 4.290 0.000 1 268 28 28 GLN HB2 H 2.357 0.004 2 269 28 28 GLN HB3 H 1.949 0.002 2 270 28 28 GLN HG2 H 2.355 0.014 2 271 28 28 GLN HG3 H 2.355 0.014 2 272 28 28 GLN HE21 H 6.864 0.004 2 273 28 28 GLN HE22 H 7.669 0.000 2 274 28 28 GLN CA C 55.212 0.000 1 275 28 28 GLN CB C 29.553 0.116 1 276 28 28 GLN CG C 34.238 0.069 1 277 28 28 GLN N N 124.398 0.069 1 278 28 28 GLN NE2 N 113.270 0.001 1 279 29 29 GLN H H 8.289 0.115 1 280 29 29 GLN HA H 4.630 0.004 1 281 29 29 GLN HB2 H 2.071 0.000 2 282 29 29 GLN HB3 H 2.034 0.000 2 283 29 29 GLN HG2 H 2.341 0.000 2 284 29 29 GLN HG3 H 2.111 0.014 2 285 29 29 GLN HE21 H 6.594 0.005 2 286 29 29 GLN HE22 H 7.429 0.012 2 287 29 29 GLN CA C 55.294 0.000 1 288 29 29 GLN CB C 31.682 0.004 1 289 29 29 GLN CG C 34.629 0.019 1 290 29 29 GLN N N 117.501 0.022 1 291 29 29 GLN NE2 N 111.073 0.002 1 292 30 30 VAL H H 9.174 0.054 1 293 30 30 VAL HA H 4.578 0.000 1 294 30 30 VAL HB H 1.974 0.003 1 295 30 30 VAL HG1 H 0.918 0.000 2 296 30 30 VAL HG2 H 0.847 0.000 2 297 30 30 VAL CA C 60.464 0.000 1 298 30 30 VAL CB C 34.413 0.016 1 299 30 30 VAL CG1 C 22.625 0.000 2 300 30 30 VAL CG2 C 22.711 0.000 2 301 30 30 VAL N N 124.451 0.041 1 302 31 31 ARG H H 8.765 0.009 1 303 31 31 ARG HA H 4.637 0.000 1 304 31 31 ARG HB2 H 1.547 0.011 2 305 31 31 ARG HB3 H 1.532 0.001 2 306 31 31 ARG HG2 H 1.329 0.012 2 307 31 31 ARG HG3 H 1.243 0.008 2 308 31 31 ARG HD2 H 3.124 0.006 2 309 31 31 ARG HD3 H 3.124 0.006 2 310 31 31 ARG HE H 7.347 0.006 1 311 31 31 ARG CA C 55.501 0.000 1 312 31 31 ARG CB C 31.826 0.013 1 313 31 31 ARG CG C 28.415 0.114 1 314 31 31 ARG CD C 43.652 0.087 1 315 31 31 ARG N N 128.251 0.000 1 316 31 31 ARG NE N 83.815 0.100 1 317 32 32 ILE H H 8.949 0.008 1 318 32 32 ILE HA H 4.660 0.000 1 319 32 32 ILE HB H 1.597 0.000 1 320 32 32 ILE HG12 H 1.408 0.002 2 321 32 32 ILE HG13 H 0.801 0.004 2 322 32 32 ILE HG2 H 0.604 0.000 1 323 32 32 ILE HD1 H 0.516 0.000 1 324 32 32 ILE CA C 59.568 0.000 1 325 32 32 ILE CB C 41.055 0.000 1 326 32 32 ILE CG1 C 28.145 0.054 1 327 32 32 ILE CG2 C 18.061 0.000 1 328 32 32 ILE CD1 C 14.066 0.000 1 329 32 32 ILE N N 127.573 0.002 1 330 33 33 GLY H H 9.127 0.003 1 331 33 33 GLY HA2 H 3.607 0.009 2 332 33 33 GLY HA3 H 4.742 0.644 2 333 33 33 GLY CA C 44.594 0.070 1 334 33 33 GLY N N 112.581 0.000 1 335 34 34 ILE H H 9.599 0.011 1 336 34 34 ILE HA H 4.830 0.000 1 337 34 34 ILE HB H 1.500 0.006 1 338 34 34 ILE HG12 H 1.277 0.000 2 339 34 34 ILE HG13 H 0.789 0.000 2 340 34 34 ILE HG2 H 0.636 0.000 1 341 34 34 ILE HD1 H 0.552 0.027 1 342 34 34 ILE CA C 60.950 0.000 1 343 34 34 ILE CB C 41.304 0.045 1 344 34 34 ILE CG1 C 29.395 0.008 1 345 34 34 ILE CG2 C 19.446 0.000 1 346 34 34 ILE CD1 C 16.239 0.000 1 347 34 34 ILE N N 124.726 0.057 1 348 35 35 ASN H H 9.035 0.007 1 349 35 35 ASN HA H 5.095 0.000 1 350 35 35 ASN HB2 H 2.829 0.010 2 351 35 35 ASN HB3 H 2.542 0.009 2 352 35 35 ASN HD21 H 6.722 0.005 2 353 35 35 ASN HD22 H 7.338 0.009 2 354 35 35 ASN CA C 52.000 0.000 1 355 35 35 ASN CB C 40.148 0.007 1 356 35 35 ASN N N 129.529 0.016 1 357 35 35 ASN ND2 N 112.481 0.155 1 358 36 36 ALA H H 8.231 0.003 1 359 36 36 ALA HA H 5.060 0.000 1 360 36 36 ALA HB H 1.074 0.004 1 361 36 36 ALA CA C 49.316 0.000 1 362 36 36 ALA CB C 19.898 0.033 1 363 36 36 ALA N N 125.575 0.050 1 364 37 37 PRO HA H 4.412 0.000 1 365 37 37 PRO HB2 H 2.415 0.000 2 366 37 37 PRO HG2 H 2.080 0.000 2 367 37 37 PRO HG3 H 1.926 0.000 2 368 37 37 PRO HD2 H 3.931 0.000 2 369 37 37 PRO HD3 H 3.058 0.000 2 370 37 37 PRO CA C 62.900 0.000 1 371 37 37 PRO CB C 32.325 0.000 1 372 37 37 PRO CG C 28.014 0.011 1 373 37 37 PRO CD C 50.407 0.000 1 374 38 38 LYS H H 8.555 0.000 1 375 38 38 LYS HA H 3.793 0.005 1 376 38 38 LYS HB2 H 1.716 0.003 2 377 38 38 LYS HG2 H 1.429 0.005 2 378 38 38 LYS HG3 H 1.401 0.005 2 379 38 38 LYS HD2 H 1.560 0.004 2 380 38 38 LYS HD3 H 1.535 0.013 2 381 38 38 LYS HE2 H 2.928 0.005 2 382 38 38 LYS HE3 H 2.928 0.005 2 383 38 38 LYS CA C 58.798 0.135 1 384 38 38 LYS CB C 31.843 0.071 1 385 38 38 LYS CG C 25.011 0.061 1 386 38 38 LYS CD C 28.317 0.115 1 387 38 38 LYS CE C 42.142 0.104 1 388 38 38 LYS N N 121.064 0.000 1 389 39 39 ASP H H 8.159 0.000 1 390 39 39 ASP HA H 4.354 0.000 1 391 39 39 ASP HB2 H 2.666 0.000 2 392 39 39 ASP HB3 H 2.534 0.000 2 393 39 39 ASP CA C 53.955 0.000 1 394 39 39 ASP CB C 39.712 0.023 1 395 39 39 ASP N N 113.867 0.020 1 396 40 40 VAL H H 8.050 0.004 1 397 40 40 VAL HA H 3.970 0.002 1 398 40 40 VAL HB H 2.077 0.001 1 399 40 40 VAL HG1 H 0.806 0.003 2 400 40 40 VAL HG2 H 0.655 0.017 2 401 40 40 VAL CA C 61.806 0.000 1 402 40 40 VAL CB C 31.972 0.063 1 403 40 40 VAL CG1 C 21.262 0.051 2 404 40 40 VAL CG2 C 21.018 0.168 2 405 40 40 VAL N N 122.635 0.017 1 406 41 41 ALA H H 8.917 0.027 1 407 41 41 ALA HA H 4.455 0.001 1 408 41 41 ALA HB H 1.312 0.002 1 409 41 41 ALA CA C 52.144 0.005 1 410 41 41 ALA CB C 18.921 0.064 1 411 41 41 ALA N N 133.705 0.084 1 412 42 42 VAL H H 7.870 0.017 1 413 42 42 VAL HA H 4.399 0.019 1 414 42 42 VAL HB H 1.174 0.017 1 415 42 42 VAL HG1 H 0.611 0.004 2 416 42 42 VAL HG2 H 0.346 0.003 2 417 42 42 VAL CA C 60.587 0.000 1 418 42 42 VAL CB C 33.572 0.159 1 419 42 42 VAL CG1 C 20.181 0.054 2 420 42 42 VAL CG2 C 22.097 0.043 2 421 42 42 VAL N N 125.251 0.018 1 422 43 43 HIS H H 8.605 0.011 1 423 43 43 HIS HA H 5.549 0.010 1 424 43 43 HIS HB2 H 3.319 0.009 2 425 43 43 HIS HB3 H 2.528 0.010 2 426 43 43 HIS HD2 H 6.934 0.002 1 427 43 43 HIS HE1 H 7.779 0.002 1 428 43 43 HIS CA C 53.743 0.058 1 429 43 43 HIS CB C 37.784 0.047 1 430 43 43 HIS CD2 C 116.455 0.000 1 431 43 43 HIS CE1 C 139.070 0.000 1 432 43 43 HIS N N 118.702 0.009 1 433 44 44 ARG H H 8.395 0.008 1 434 44 44 ARG HA H 3.959 0.007 1 435 44 44 ARG HE H 5.897 0.008 1 436 44 44 ARG CA C 58.185 0.000 1 437 44 44 ARG N N 121.777 0.039 1 438 44 44 ARG NE N 81.832 0.000 1 439 45 45 GLU H H 7.926 0.013 1 440 45 45 GLU HA H 4.409 0.003 1 441 45 45 GLU HB2 H 1.951 0.000 2 442 45 45 GLU HB3 H 1.951 0.000 2 443 45 45 GLU HG2 H 2.383 0.003 2 444 45 45 GLU HG3 H 2.207 0.004 2 445 45 45 GLU CA C 59.887 0.000 1 446 45 45 GLU CB C 29.944 0.070 1 447 45 45 GLU CG C 35.854 0.074 1 448 45 45 GLU N N 125.983 0.043 1 449 46 46 GLU H H 10.750 0.006 1 450 46 46 GLU HA H 4.251 0.000 1 451 46 46 GLU HB2 H 2.251 0.000 2 452 46 46 GLU HB3 H 1.889 0.000 2 453 46 46 GLU HG2 H 2.561 0.009 2 454 46 46 GLU HG3 H 2.263 0.008 2 455 46 46 GLU CA C 58.573 0.000 1 456 46 46 GLU CB C 26.850 0.009 1 457 46 46 GLU CG C 34.985 0.190 1 458 46 46 GLU N N 118.177 0.114 1 459 47 47 ILE H H 7.166 0.004 1 460 47 47 ILE HA H 3.740 0.007 1 461 47 47 ILE HB H 2.121 0.000 1 462 47 47 ILE HG12 H 1.368 0.000 2 463 47 47 ILE HG13 H 1.253 0.000 2 464 47 47 ILE HG2 H 0.246 0.009 1 465 47 47 ILE HD1 H 0.559 0.008 1 466 47 47 ILE CA C 60.549 0.000 1 467 47 47 ILE CB C 34.717 0.000 1 468 47 47 ILE CG1 C 26.463 0.009 1 469 47 47 ILE CG2 C 16.647 0.073 1 470 47 47 ILE CD1 C 8.283 0.000 1 471 47 47 ILE N N 122.609 0.053 1 472 48 48 TYR H H 8.113 0.005 1 473 48 48 TYR HA H 3.612 0.001 1 474 48 48 TYR HB2 H 3.265 0.002 2 475 48 48 TYR HB3 H 2.732 0.005 2 476 48 48 TYR HD1 H 6.932 0.003 3 477 48 48 TYR HD2 H 6.932 0.003 3 478 48 48 TYR HE1 H 6.729 0.002 3 479 48 48 TYR HE2 H 6.729 0.002 3 480 48 48 TYR CA C 62.310 0.000 1 481 48 48 TYR CB C 39.047 0.025 1 482 48 48 TYR CD2 C 133.083 0.000 3 483 48 48 TYR CE2 C 118.307 0.000 3 484 48 48 TYR N N 122.090 0.038 1 485 49 49 GLN H H 8.573 0.002 1 486 49 49 GLN HA H 3.844 0.008 1 487 49 49 GLN HB2 H 2.042 0.000 2 488 49 49 GLN HB3 H 2.001 0.000 2 489 49 49 GLN HG2 H 2.489 0.000 2 490 49 49 GLN HG3 H 2.627 0.003 2 491 49 49 GLN HE21 H 6.743 0.007 2 492 49 49 GLN HE22 H 7.469 0.007 2 493 49 49 GLN CA C 58.565 0.000 1 494 49 49 GLN CB C 28.103 0.000 1 495 49 49 GLN CG C 33.784 0.004 1 496 49 49 GLN N N 114.980 0.100 1 497 49 49 GLN NE2 N 111.075 0.001 1 498 50 50 ARG H H 7.176 0.014 1 499 50 50 ARG HA H 3.964 0.006 1 500 50 50 ARG HB2 H 1.891 0.003 2 501 50 50 ARG HB3 H 1.837 0.021 2 502 50 50 ARG HG2 H 1.839 0.005 2 503 50 50 ARG HG3 H 1.624 0.003 2 504 50 50 ARG HD2 H 3.138 0.006 2 505 50 50 ARG HD3 H 2.964 0.003 2 506 50 50 ARG CA C 59.153 0.000 1 507 50 50 ARG CB C 30.409 0.071 1 508 50 50 ARG CG C 27.183 0.083 1 509 50 50 ARG CD C 43.953 0.161 1 510 50 50 ARG N N 120.374 0.000 1 511 51 51 ILE H H 7.993 0.000 1 512 51 51 ILE HA H 3.568 0.000 1 513 51 51 ILE HB H 1.548 0.003 1 514 51 51 ILE HG12 H 1.264 0.000 2 515 51 51 ILE HG13 H 0.777 0.007 2 516 51 51 ILE HG2 H 0.647 0.007 1 517 51 51 ILE HD1 H 0.184 0.006 1 518 51 51 ILE CA C 64.674 0.000 1 519 51 51 ILE CB C 38.079 0.105 1 520 51 51 ILE CG1 C 28.769 0.007 1 521 51 51 ILE CG2 C 16.749 0.000 1 522 51 51 ILE CD1 C 13.674 0.000 1 523 51 51 ILE N N 120.770 0.000 1 524 52 52 GLN H H 7.927 0.061 1 525 52 52 GLN HA H 3.787 0.002 1 526 52 52 GLN HB2 H 1.947 0.000 2 527 52 52 GLN HB3 H 1.760 0.005 2 528 52 52 GLN HG2 H 1.960 0.002 2 529 52 52 GLN HG3 H 1.885 0.002 2 530 52 52 GLN HE21 H 6.409 0.000 2 531 52 52 GLN HE22 H 6.724 0.008 2 532 52 52 GLN CA C 57.453 0.000 1 533 52 52 GLN CB C 28.040 0.030 1 534 52 52 GLN CG C 33.228 0.007 1 535 52 52 GLN N N 118.553 0.000 1 536 52 52 GLN NE2 N 112.721 0.005 1 537 53 53 ALA H H 7.600 0.000 1 538 53 53 ALA HA H 4.159 0.000 1 539 53 53 ALA HB H 1.394 0.000 1 540 53 53 ALA CA C 53.176 0.000 1 541 53 53 ALA CB C 18.419 0.000 1 542 53 53 ALA N N 120.448 0.000 1 543 54 54 GLY H H 7.671 0.000 1 544 54 54 GLY HA2 H 3.900 0.000 2 545 54 54 GLY HA3 H 3.869 0.000 2 546 54 54 GLY CA C 45.517 0.003 1 547 54 54 GLY N N 105.491 0.000 1 548 55 55 LEU H H 7.640 0.000 1 549 55 55 LEU HA H 4.312 0.000 1 550 55 55 LEU HB2 H 1.629 0.000 2 551 55 55 LEU HB3 H 1.511 0.000 2 552 55 55 LEU HG H 1.631 0.000 1 553 55 55 LEU HD1 H 0.832 0.000 2 554 55 55 LEU HD2 H 0.798 0.000 2 555 55 55 LEU CA C 54.840 0.000 1 556 55 55 LEU CB C 42.133 0.004 1 557 55 55 LEU CG C 26.783 0.000 1 558 55 55 LEU CD1 C 25.008 0.000 2 559 55 55 LEU CD2 C 22.826 0.000 2 560 55 55 LEU N N 120.780 0.000 1 561 56 56 THR H H 7.788 0.000 1 562 56 56 THR HA H 4.271 0.003 1 563 56 56 THR HB H 4.133 0.006 1 564 56 56 THR HG2 H 1.132 0.000 1 565 56 56 THR CA C 61.302 0.000 1 566 56 56 THR CB C 69.901 0.078 1 567 56 56 THR CG2 C 21.413 0.000 1 568 56 56 THR N N 113.308 0.000 1 569 57 57 ALA H H 8.072 0.009 1 570 57 57 ALA HA H 4.508 0.000 1 571 57 57 ALA HB H 1.301 0.008 1 572 57 57 ALA CA C 50.519 0.000 1 573 57 57 ALA CB C 18.234 0.000 1 574 57 57 ALA N N 127.382 0.052 1 575 58 58 PRO HA H 4.315 0.000 1 576 58 58 PRO HB2 H 2.226 0.000 2 577 58 58 PRO HB3 H 1.870 0.000 2 578 58 58 PRO HG2 H 1.960 0.000 2 579 58 58 PRO HG3 H 1.960 0.000 2 580 58 58 PRO HD2 H 3.712 0.000 2 581 58 58 PRO HD3 H 3.601 0.009 2 582 58 58 PRO CA C 63.349 0.000 1 583 58 58 PRO CB C 31.892 0.001 1 584 58 58 PRO CG C 27.228 0.000 1 585 58 58 PRO CD C 50.378 0.020 1 586 59 59 ASP H H 8.243 0.000 1 587 59 59 ASP HA H 4.488 0.000 1 588 59 59 ASP HB2 H 2.618 0.000 2 589 59 59 ASP HB3 H 2.593 0.000 2 590 59 59 ASP CA C 54.086 0.000 1 591 59 59 ASP CB C 41.044 0.000 1 592 59 59 ASP N N 119.193 0.000 1 593 60 60 LYS H H 8.049 0.000 1 594 60 60 LYS HA H 4.240 0.000 1 595 60 60 LYS HB2 H 1.826 0.000 2 596 60 60 LYS HB3 H 1.703 0.000 2 597 60 60 LYS HG2 H 1.377 0.000 2 598 60 60 LYS HG3 H 1.326 0.000 2 599 60 60 LYS HD2 H 1.623 0.000 2 600 60 60 LYS HD3 H 1.623 0.000 2 601 60 60 LYS HE2 H 2.949 0.000 2 602 60 60 LYS HE3 H 2.949 0.000 2 603 60 60 LYS CA C 56.069 0.000 1 604 60 60 LYS CB C 32.633 0.005 1 605 60 60 LYS CG C 24.632 0.011 1 606 60 60 LYS CD C 28.791 0.000 1 607 60 60 LYS CE C 41.898 0.000 1 608 60 60 LYS N N 121.586 0.000 1 609 61 61 ARG H H 8.162 0.000 1 610 61 61 ARG HA H 4.252 0.012 1 611 61 61 ARG HB2 H 1.811 0.013 2 612 61 61 ARG HB3 H 1.736 0.000 2 613 61 61 ARG HG2 H 1.583 0.003 2 614 61 61 ARG HG3 H 1.583 0.003 2 615 61 61 ARG HD2 H 3.140 0.002 2 616 61 61 ARG HD3 H 3.140 0.002 2 617 61 61 ARG CA C 56.056 0.000 1 618 61 61 ARG CB C 30.694 0.006 1 619 61 61 ARG CG C 27.045 0.000 1 620 61 61 ARG CD C 43.544 0.236 1 621 61 61 ARG N N 121.716 0.000 1 622 62 62 GLU H H 8.323 0.000 1 623 62 62 GLU HA H 4.298 0.000 1 624 62 62 GLU HB2 H 1.996 0.000 2 625 62 62 GLU HB3 H 1.872 0.000 2 626 62 62 GLU HG2 H 2.206 0.000 2 627 62 62 GLU HG3 H 2.167 0.000 2 628 62 62 GLU CA C 56.238 0.000 1 629 62 62 GLU CB C 30.387 0.007 1 630 62 62 GLU CG C 36.166 0.008 1 631 62 62 GLU N N 121.732 0.000 1 632 63 63 THR H H 8.125 0.000 1 633 63 63 THR HA H 4.534 0.000 1 634 63 63 THR HB H 4.073 0.000 1 635 63 63 THR HG2 H 1.145 0.000 1 636 63 63 THR CA C 59.468 0.000 1 637 63 63 THR CB C 69.604 0.000 1 638 63 63 THR CG2 C 21.398 0.000 1 639 63 63 THR N N 117.474 0.000 1 640 64 64 PRO HA H 4.330 0.000 1 641 64 64 PRO HB2 H 2.164 0.000 2 642 64 64 PRO HB3 H 1.678 0.000 2 643 64 64 PRO HG2 H 1.881 0.000 2 644 64 64 PRO HG3 H 1.881 0.000 2 645 64 64 PRO HD2 H 3.592 0.000 2 646 64 64 PRO HD3 H 3.743 0.000 2 647 64 64 PRO CA C 63.291 0.000 1 648 64 64 PRO CB C 31.885 0.014 1 649 64 64 PRO CG C 27.188 0.000 1 650 64 64 PRO CD C 50.967 0.003 1 651 65 65 HIS HA H 4.352 0.000 1 652 65 65 HIS HB2 H 3.100 0.000 2 653 65 65 HIS HB3 H 2.953 0.000 2 654 65 65 HIS CA C 57.424 0.000 1 655 65 65 HIS CB C 30.916 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 SL1(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 -3 1 G H1 H 12.602 0.009 1 2 -3 1 G H1' H 5.806 0.001 1 3 -3 1 G H2' H 4.885 0.004 1 4 -3 1 G H3' H 4.667 0.000 1 5 -3 1 G H4' H 4.535 0.003 1 6 -3 1 G H5' H 4.423 0.000 2 7 -3 1 G H5'' H 4.253 0.000 2 8 -3 1 G H8 H 8.104 0.002 1 9 -3 1 G C1' C 91.774 0.000 1 10 -3 1 G C2' C 75.343 0.000 1 11 -3 1 G C3' C 74.837 0.000 1 12 -3 1 G C4' C 83.299 0.000 1 13 -3 1 G C5' C 67.243 0.005 1 14 -3 1 G C8 C 139.131 0.000 1 15 -3 1 G N1 N 147.792 0.000 1 16 -2 2 G H1 H 12.759 0.008 1 17 -2 2 G H1' H 5.907 0.010 1 18 -2 2 G H2' H 4.718 0.004 1 19 -2 2 G H3' H 4.516 0.006 1 20 -2 2 G H4' H 4.524 0.002 1 21 -2 2 G H5' H 4.468 0.009 2 22 -2 2 G H5'' H 4.229 0.008 2 23 -2 2 G H8 H 7.514 0.009 1 24 -2 2 G C1' C 92.904 0.025 1 25 -2 2 G C2' C 75.697 0.020 1 26 -2 2 G C3' C 73.267 0.044 1 27 -2 2 G C4' C 82.525 0.012 1 28 -2 2 G C5' C 66.225 0.039 1 29 -2 2 G C8 C 136.920 0.000 1 30 -2 2 G N1 N 147.666 0.000 1 31 -1 3 G H1 H 13.134 0.009 1 32 -1 3 G H1' H 5.758 0.006 1 33 -1 3 G H2' H 4.496 0.006 1 34 -1 3 G H3' H 4.389 0.008 1 35 -1 3 G H4' H 4.491 0.001 1 36 -1 3 G H5' H 4.459 0.009 2 37 -1 3 G H5'' H 4.056 0.013 2 38 -1 3 G H8 H 7.132 0.011 1 39 -1 3 G C1' C 93.240 0.180 1 40 -1 3 G C2' C 75.480 0.042 1 41 -1 3 G C3' C 73.297 0.085 1 42 -1 3 G C4' C 82.406 0.059 1 43 -1 3 G C5' C 65.930 0.071 1 44 -1 3 G C8 C 136.267 0.018 1 45 -1 3 G N1 N 148.499 0.000 1 46 1 4 U H1' H 5.554 0.009 1 47 1 4 U H2' H 4.682 0.007 1 48 1 4 U H3 H 13.523 0.006 1 49 1 4 U H3' H 4.533 0.029 1 50 1 4 U H4' H 4.414 0.009 1 51 1 4 U H5 H 5.051 0.009 1 52 1 4 U H5' H 4.549 0.006 2 53 1 4 U H5'' H 4.102 0.012 2 54 1 4 U H6 H 7.626 0.009 1 55 1 4 U C1' C 93.486 0.021 1 56 1 4 U C2' C 75.579 0.049 1 57 1 4 U C3' C 72.615 0.048 1 58 1 4 U C4' C 82.245 0.013 1 59 1 4 U C5 C 102.944 0.040 1 60 1 4 U C5' C 64.586 0.063 1 61 1 4 U C6 C 141.275 0.030 1 62 1 4 U N3 N 161.860 0.000 1 63 2 5 G H1 H 12.612 0.003 1 64 2 5 G H1' H 5.719 0.006 1 65 2 5 G H2' H 4.563 0.004 1 66 2 5 G H3' H 4.505 0.003 1 67 2 5 G H4' H 4.475 0.000 1 68 2 5 G H5' H 4.354 0.005 2 69 2 5 G H5'' H 4.099 0.003 2 70 2 5 G H8 H 7.577 0.009 1 71 2 5 G C1' C 92.788 0.010 1 72 2 5 G C2' C 75.675 0.031 1 73 2 5 G C3' C 73.470 0.000 1 74 2 5 G C4' C 82.164 0.000 1 75 2 5 G C5' C 67.194 0.097 1 76 2 5 G C8 C 136.593 0.036 1 77 2 5 G N1 N 147.744 0.000 1 78 3 6 U H1' H 5.425 0.011 1 79 3 6 U H2' H 4.508 0.006 1 80 3 6 U H3 H 14.263 0.009 1 81 3 6 U H3' H 4.299 0.007 1 82 3 6 U H4' H 4.423 0.004 1 83 3 6 U H5 H 5.102 0.008 1 84 3 6 U H5'' H 4.082 0.005 2 85 3 6 U H6 H 7.551 0.014 1 86 3 6 U C1' C 93.855 0.030 1 87 3 6 U C2' C 75.454 0.042 1 88 3 6 U C3' C 72.784 0.007 1 89 3 6 U C4' C 82.268 0.001 1 90 3 6 U C5 C 102.906 0.061 1 91 3 6 U C5' C 64.624 0.105 1 92 3 6 U C6 C 141.902 0.094 1 93 3 6 U N3 N 163.002 0.000 1 94 4 7 C H1' H 5.467 0.013 1 95 4 7 C H2' H 4.651 0.004 1 96 4 7 C H3' H 4.397 0.005 1 97 4 7 C H4' H 4.303 0.001 1 98 4 7 C H5 H 5.502 0.007 1 99 4 7 C H6 H 7.609 0.007 1 100 4 7 C H41 H 8.036 0.008 2 101 4 7 C H42 H 6.752 0.001 2 102 4 7 C C1' C 94.030 0.019 1 103 4 7 C C2' C 75.580 0.042 1 104 4 7 C C3' C 73.511 0.078 1 105 4 7 C C4' C 82.008 0.000 1 106 4 7 C C5 C 98.038 0.012 1 107 4 7 C C6 C 141.101 0.028 1 108 5 8 G H1 H 12.607 0.008 1 109 5 8 G H1' H 5.574 0.007 1 110 5 8 G H2' H 4.943 0.006 1 111 5 8 G H3' H 4.407 0.003 1 112 5 8 G H4' H 4.497 0.006 1 113 5 8 G H5' H 4.425 0.004 2 114 5 8 G H5'' H 4.160 0.002 2 115 5 8 G H8 H 7.485 0.011 1 116 5 8 G C1' C 94.111 0.027 1 117 5 8 G C2' C 75.245 0.022 1 118 5 8 G C3' C 74.088 0.005 1 119 5 8 G C4' C 82.618 0.101 1 120 5 8 G C5' C 67.479 0.032 1 121 5 8 G C8 C 137.370 0.050 1 122 5 8 G N1 N 147.833 0.000 1 123 6 9 A H1' H 6.399 0.009 1 124 6 9 A H2 H 8.386 0.009 1 125 6 9 A H2' H 4.094 0.009 1 126 6 9 A H3' H 5.093 0.011 1 127 6 9 A H4' H 4.591 0.008 1 128 6 9 A H5' H 4.608 0.011 2 129 6 9 A H5'' H 4.217 0.000 2 130 6 9 A H8 H 8.248 0.008 1 131 6 9 A C1' C 91.309 0.039 1 132 6 9 A C2 C 156.165 0.032 1 133 6 9 A C2' C 77.443 0.042 1 134 6 9 A C3' C 73.955 0.088 1 135 6 9 A C4' C 81.103 0.111 1 136 6 9 A C5' C 64.775 0.032 1 137 6 9 A C8 C 139.601 0.035 1 138 7 10 C H1' H 5.539 0.005 1 139 7 10 C H2' H 4.157 0.003 1 140 7 10 C H3' H 4.516 0.004 1 141 7 10 C H4' H 2.936 0.009 1 142 7 10 C H5 H 5.826 0.004 1 143 7 10 C H5' H 3.420 0.023 2 144 7 10 C H5'' H 3.254 0.023 2 145 7 10 C H6 H 7.629 0.005 1 146 7 10 C C1' C 92.337 0.031 1 147 7 10 C C2' C 76.772 0.041 1 148 7 10 C C3' C 74.318 0.033 1 149 7 10 C C4' C 83.498 0.041 1 150 7 10 C C5 C 97.748 0.036 1 151 7 10 C C5' C 64.883 0.045 1 152 7 10 C C6 C 143.950 0.155 1 153 8 11 G H1' H 5.423 0.005 1 154 8 11 G H2' H 4.594 0.007 1 155 8 11 G H3' H 5.000 0.004 1 156 8 11 G H4' H 4.587 0.005 1 157 8 11 G H5' H 4.316 0.006 2 158 8 11 G H8 H 7.913 0.005 1 159 8 11 G C1' C 93.068 0.041 1 160 8 11 G C2' C 77.510 0.040 1 161 8 11 G C3' C 79.737 0.049 1 162 8 11 G C4' C 89.736 0.078 1 163 8 11 G C5' C 68.029 0.088 1 164 8 11 G C8 C 139.432 0.039 1 165 9 12 G H1 H 11.465 0.007 1 166 9 12 G H1' H 5.754 0.010 1 167 9 12 G H2' H 4.558 0.006 1 168 9 12 G H3' H 4.560 0.011 1 169 9 12 G H4' H 4.223 0.011 1 170 9 12 G H5' H 3.458 0.011 2 171 9 12 G H5'' H 2.550 0.013 2 172 9 12 G H8 H 8.625 0.011 1 173 9 12 G C1' C 88.609 0.061 1 174 9 12 G C2' C 79.241 0.018 1 175 9 12 G C3' C 79.177 0.084 1 176 9 12 G C4' C 87.601 0.047 1 177 9 12 G C5' C 67.354 0.063 1 178 9 12 G C8 C 141.899 0.063 1 179 9 12 G N1 N 146.178 0.000 1 180 10 13 A H1' H 6.533 0.007 1 181 10 13 A H2 H 8.620 0.011 1 182 10 13 A H2' H 4.504 0.006 1 183 10 13 A H3' H 5.171 0.017 1 184 10 13 A H4' H 4.583 0.009 1 185 10 13 A H5' H 4.451 0.008 2 186 10 13 A H5'' H 4.211 0.024 2 187 10 13 A H8 H 8.986 0.013 1 188 10 13 A C1' C 89.820 0.056 1 189 10 13 A C2 C 157.058 0.059 1 190 10 13 A C2' C 78.809 0.027 1 191 10 13 A C3' C 75.970 0.037 1 192 10 13 A C4' C 81.920 0.071 1 193 10 13 A C5' C 68.576 0.074 1 194 10 13 A C8 C 142.040 0.042 1 195 11 14 U H1' H 5.872 0.007 1 196 11 14 U H2' H 4.379 0.006 1 197 11 14 U H3' H 4.603 0.014 1 198 11 14 U H4' H 4.315 0.008 1 199 11 14 U H5 H 5.931 0.012 1 200 11 14 U H5' H 4.191 0.007 2 201 11 14 U H5'' H 4.165 0.008 2 202 11 14 U H6 H 7.765 0.009 1 203 11 14 U C1' C 91.877 0.148 1 204 11 14 U C2' C 75.985 0.084 1 205 11 14 U C3' C 76.976 0.048 1 206 11 14 U C4' C 84.608 0.054 1 207 11 14 U C5 C 105.140 0.014 1 208 11 14 U C5' C 68.458 0.036 1 209 11 14 U C6 C 144.282 0.041 1 210 12 15 A H1' H 4.836 0.013 1 211 12 15 A H2 H 8.258 0.007 1 212 12 15 A H2' H 4.377 0.012 1 213 12 15 A H3' H 4.519 0.008 1 214 12 15 A H4' H 4.518 0.004 1 215 12 15 A H5' H 4.223 0.017 2 216 12 15 A H5'' H 4.175 0.005 2 217 12 15 A H8 H 8.117 0.008 1 218 12 15 A C1' C 92.338 0.037 1 219 12 15 A C2 C 154.636 0.045 1 220 12 15 A C2' C 76.009 0.074 1 221 12 15 A C3' C 73.475 0.105 1 222 12 15 A C4' C 82.842 0.046 1 223 12 15 A C5' C 66.530 0.027 1 224 12 15 A C8 C 140.588 0.055 1 225 13 16 G H1 H 11.958 0.010 1 226 13 16 G H1' H 5.591 0.005 1 227 13 16 G H2' H 4.711 0.008 1 228 13 16 G H3' H 4.511 0.008 1 229 13 16 G H4' H 4.494 0.006 1 230 13 16 G H5' H 4.449 0.000 2 231 13 16 G H5'' H 4.068 0.000 2 232 13 16 G H8 H 6.678 0.008 1 233 13 16 G C1' C 93.698 0.041 1 234 13 16 G C2' C 74.891 0.023 1 235 13 16 G C3' C 73.373 0.083 1 236 13 16 G C4' C 82.865 0.073 1 237 13 16 G C5' C 67.486 0.019 1 238 13 16 G C8 C 136.316 0.027 1 239 13 16 G N1 N 146.399 0.000 1 240 14 17 A H1' H 5.976 0.006 1 241 14 17 A H2 H 7.648 0.007 1 242 14 17 A H2' H 4.533 0.013 1 243 14 17 A H3' H 4.714 0.002 1 244 14 17 A H4' H 4.508 0.006 1 245 14 17 A H5' H 4.529 0.000 2 246 14 17 A H8 H 7.921 0.015 1 247 14 17 A C1' C 93.072 0.060 1 248 14 17 A C2 C 153.912 0.027 1 249 14 17 A C2' C 75.468 0.084 1 250 14 17 A C3' C 72.582 0.030 1 251 14 17 A C4' C 82.251 0.075 1 252 14 17 A C5' C 64.839 0.000 1 253 14 17 A C8 C 139.937 0.054 1 254 15 18 C H1' H 5.409 0.016 1 255 15 18 C H2' H 4.282 0.000 1 256 15 18 C H3' H 4.496 0.003 1 257 15 18 C H4' H 4.378 0.006 1 258 15 18 C H5 H 5.109 0.013 1 259 15 18 C H5' H 4.447 0.005 2 260 15 18 C H5'' H 4.021 0.000 2 261 15 18 C H6 H 7.547 0.007 1 262 15 18 C H41 H 8.244 0.009 2 263 15 18 C H42 H 6.732 0.006 2 264 15 18 C C1' C 93.820 0.082 1 265 15 18 C C2' C 75.694 0.000 1 266 15 18 C C3' C 72.630 0.025 1 267 15 18 C C4' C 81.881 0.044 1 268 15 18 C C5 C 97.230 0.039 1 269 15 18 C C5' C 64.661 0.011 1 270 15 18 C C6 C 141.086 0.089 1 271 16 19 A H1' H 5.928 0.007 1 272 16 19 A H2 H 7.529 0.007 1 273 16 19 A H2' H 4.494 0.010 1 274 16 19 A H3' H 4.686 0.012 1 275 16 19 A H4' H 4.459 0.004 1 276 16 19 A H5' H 4.570 0.011 2 277 16 19 A H5'' H 4.138 0.013 2 278 16 19 A H8 H 8.099 0.013 1 279 16 19 A C1' C 92.849 0.033 1 280 16 19 A C2 C 153.895 0.055 1 281 16 19 A C2' C 75.476 0.044 1 282 16 19 A C3' C 72.637 0.035 1 283 16 19 A C4' C 82.148 0.105 1 284 16 19 A C5' C 64.920 0.199 1 285 16 19 A C8 C 139.828 0.028 1 286 17 20 C H1' H 5.456 0.007 1 287 17 20 C H2' H 4.168 0.008 1 288 17 20 C H3' H 4.390 0.006 1 289 17 20 C H4' H 4.369 0.010 1 290 17 20 C H5 H 5.171 0.005 1 291 17 20 C H5' H 4.490 0.023 2 292 17 20 C H5'' H 4.030 0.010 2 293 17 20 C H6 H 7.638 0.009 1 294 17 20 C H41 H 8.325 0.002 2 295 17 20 C H42 H 6.754 0.009 2 296 17 20 C C1' C 93.948 0.115 1 297 17 20 C C2' C 75.680 0.080 1 298 17 20 C C3' C 72.321 0.065 1 299 17 20 C C4' C 81.978 0.008 1 300 17 20 C C5 C 97.033 0.061 1 301 17 20 C C5' C 64.675 0.078 1 302 17 20 C C6 C 141.288 0.103 1 303 18 21 C H1' H 5.472 0.017 1 304 18 21 C H2' H 4.205 0.010 1 305 18 21 C H3' H 4.449 0.007 1 306 18 21 C H4' H 4.348 0.013 1 307 18 21 C H5 H 5.385 0.003 1 308 18 21 C H5' H 4.498 0.008 2 309 18 21 C H5'' H 4.033 0.008 2 310 18 21 C H6 H 7.751 0.012 1 311 18 21 C H41 H 8.395 0.003 2 312 18 21 C H42 H 6.689 0.014 2 313 18 21 C C2' C 75.750 0.039 1 314 18 21 C C3' C 72.303 0.051 1 315 18 21 C C4' C 82.076 0.106 1 316 18 21 C C5 C 97.602 0.036 1 317 18 21 C C5' C 64.603 0.088 1 318 18 21 C C6 C 141.688 0.000 1 319 19 22 C H1' H 5.750 0.001 1 320 19 22 C H2' H 3.982 0.005 1 321 19 22 C H3' H 4.159 0.001 1 322 19 22 C H4' H 4.151 0.002 1 323 19 22 C H5 H 5.460 0.001 1 324 19 22 C H5' H 4.447 0.000 2 325 19 22 C H5'' H 4.005 0.000 2 326 19 22 C H6 H 7.661 0.007 1 327 19 22 C H41 H 8.405 0.011 2 328 19 22 C H42 H 6.703 0.000 2 329 19 22 C C1' C 92.958 0.000 1 330 19 22 C C2' C 77.666 0.000 1 331 19 22 C C3' C 70.049 0.019 1 332 19 22 C C4' C 83.820 0.013 1 333 19 22 C C5 C 98.084 0.022 1 334 19 22 C C5' C 65.189 0.001 1 335 19 22 C C6 C 141.961 0.000 1 stop_ save_