data_5978 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and function of the membrane domain of hepatitis C virus nonstructural protein 5A ; _BMRB_accession_number 5978 _BMRB_flat_file_name bmr5978.str _Entry_type original _Submission_date 2003-10-20 _Accession_date 2003-10-20 _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 Ramboarina Stephanie . . 2 Brass Volker . . 3 Krieger Nicole . . 4 Montserret Roland . . 5 Ficheux Damien . . 6 Blum Hubert E. . 7 Bartenschlager Ralf . . 8 Penin Francois . . 9 Moradpour Darius . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 596 "13C chemical shifts" 221 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-30 original author . stop_ _Original_release_date 2004-07-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15247283 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Penin Francois . . 2 Brass Volker . . 3 Appel Nicole . . 4 Ramboarina Stephanie . . 5 Montserret Roland . . 6 Ficheux Damien . . 7 Blum Hubert E. . 8 Bartenschlager Ralf . . 9 Moradpour Darius . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 39 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 40835 _Page_last 40843 _Year 2004 _Details . loop_ _Keyword 'membrane anchor domain' 'hepatitis C virus NS5A protein' 'peptide strucrure' 'NMR spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_system_NS5AN _Saveframe_category molecular_system _Mol_system_name 'HCV NS5A N-terminal' _Abbreviation_common NS5AN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS5A, 1-31' $NS5A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NS5A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HCV NS5A N-terminal' _Abbreviation_common NS5A(1-31) _Molecular_mass 3764 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 31 _Mol_residue_sequence ; SGSWLRDIWDWICEVLSDFK TWLKAKLMPQL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 SER 4 TRP 5 LEU 6 ARG 7 ASP 8 ILE 9 TRP 10 ASP 11 TRP 12 ILE 13 CYS 14 GLU 15 VAL 16 LEU 17 SER 18 ASP 19 PHE 20 LYS 21 THR 22 TRP 23 LEU 24 LYS 25 ALA 26 LYS 27 LEU 28 MET 29 PRO 30 GLN 31 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 PDB 1R7C "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Minimized Avera" 100.00 31 100.00 100.00 2.28e-12 PDB 1R7D "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Ensemble Of 51 " 100.00 31 100.00 100.00 2.28e-12 PDB 1R7E "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Minimized Avera" 100.00 31 100.00 100.00 2.28e-12 PDB 1R7F "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Ensemble Of 43 " 100.00 31 100.00 100.00 2.28e-12 PDB 1R7G "Nmr Structure Of The Membrane Anchor Domain (1-31) Of The Nonstructural Protein 5a (Ns5a) Of Hepatitis C Virus (Minimized Avera" 100.00 31 100.00 100.00 2.28e-12 DBJ BAI23205 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 4.25e-13 EMBL CAC03609 "unnamed protein product [Hepatitis C virus]" 100.00 3011 100.00 100.00 4.01e-13 EMBL CAL46810 "polyprotein [Hepatitis C virus]" 100.00 448 100.00 100.00 2.99e-13 EMBL CAM82857 "polyprotein [Hepatitis C virus]" 100.00 448 100.00 100.00 3.79e-13 EMBL CAM82858 "polyprotein [Hepatitis C virus]" 100.00 448 100.00 100.00 3.79e-13 EMBL CAM82860 "polyprotein [Hepatitis C virus]" 100.00 448 100.00 100.00 3.57e-13 GB AAA45534 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 3.65e-13 GB AAA45676 "polyprotein [Hepatitis C virus subtype 1a]" 100.00 3011 100.00 100.00 4.05e-13 GB AAA45677 "polyprotein, partial [Hepatitis C virus]" 100.00 2436 100.00 100.00 2.90e-13 GB AAA86588 "polyprotein, partial [Hepatitis C virus]" 87.10 275 100.00 100.00 2.06e-10 GB AAA86589 "polyprotein, partial [Hepatitis C virus]" 87.10 275 100.00 100.00 2.27e-10 REF NP_671491 "polyprotein [Hepatitis C virus]" 100.00 3011 100.00 100.00 4.05e-13 REF NP_751927 "NS5A protein [Hepatitis C virus]" 100.00 448 100.00 100.00 3.33e-13 SP P26664 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3011 100.00 100.00 4.05e-13 SP P27958 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 100.00 3011 100.00 100.00 3.65e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $NS5A 'Hepatitis C virus' 11103 Viruses . Hepacivirus 'Hepatitis C virus' 'The family of this virus is Flaviviridae.' 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 $NS5A 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_tfe _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS5A 1.2 mM . DTT 10 mM [U-2H] 'trifluoroethanol-d2 (CF3CD2OH)' 50 '% v/v' . H2O 50 '% v/v' . stop_ save_ save_Sample_sds _Saveframe_category sample _Sample_type b_micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NS5A 1.2 mM 1 2 . DTT 10 mM . . [U-2H] 'sodium dodecyl sulfate' 100 mM . . [U-2H] stop_ save_ save_Sample_dpc _Saveframe_category sample _Sample_type c_micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NS5A 1.2 mM 1 2 . DTT 10 mM . . [U-2H] dodecylphosphocholine 100 mM . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 loop_ _Task processing assigments stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_tfe _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.5 n/a temperature 293 1 K stop_ save_ save_condition_sds _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.5 n/a temperature 313 1 K stop_ save_ save_condition_dpc _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.5 n/a temperature 313 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_tfe stop_ _Sample_conditions_label $condition_tfe _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NS5A, 1-31' _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 SER HA H 4.28 0.01 1 2 . 1 SER HB2 H 4.11 0.01 1 3 . 1 SER HB3 H 4.11 0.01 1 4 . 1 SER CA C 58.53 0.02 1 5 . 1 SER CB C 64.04 0.02 1 6 . 2 GLY H H 8.74 0.01 1 7 . 2 GLY HA2 H 4.05 0.01 1 8 . 2 GLY HA3 H 4.05 0.01 1 9 . 2 GLY CA C 46.38 0.02 1 10 . 3 SER H H 8.25 0.01 1 11 . 3 SER HA H 4.52 0.01 1 12 . 3 SER HB2 H 4.01 0.01 2 13 . 3 SER HB3 H 3.88 0.01 2 14 . 3 SER CA C 59.40 0.02 1 15 . 3 SER CB C 64.66 0.02 1 16 . 4 TRP H H 8.05 0.01 1 17 . 4 TRP HA H 4.63 0.01 1 18 . 4 TRP HB2 H 3.45 0.01 2 19 . 4 TRP HB3 H 3.37 0.01 2 20 . 4 TRP HD1 H 7.35 0.01 1 21 . 4 TRP HE1 H 9.84 0.01 1 22 . 4 TRP HE3 H 7.59 0.01 1 23 . 4 TRP HZ2 H 7.48 0.01 1 24 . 4 TRP HZ3 H 7.15 0.01 1 25 . 4 TRP HH2 H 7.25 0.01 1 26 . 4 TRP CA C 60.09 0.02 1 27 . 4 TRP CB C 29.51 0.02 1 28 . 4 TRP CD1 C 127.66 0.02 1 29 . 4 TRP CE3 C 121.50 0.02 1 30 . 4 TRP CZ2 C 115.27 0.02 1 31 . 4 TRP CZ3 C 123.00 0.02 1 32 . 4 TRP CH2 C 125.63 0.02 1 33 . 5 LEU H H 7.27 0.01 1 34 . 5 LEU HA H 3.98 0.01 1 35 . 5 LEU HB2 H 1.40 0.01 2 36 . 5 LEU HB3 H 1.25 0.01 2 37 . 5 LEU HG H 1.27 0.01 1 38 . 5 LEU HD1 H 0.88 0.01 2 39 . 5 LEU HD2 H 0.78 0.01 2 40 . 5 LEU CA C 58.49 0.02 1 41 . 5 LEU CB C 42.59 0.02 1 42 . 5 LEU CG C 27.73 0.02 1 43 . 5 LEU CD2 C 24.52 0.02 1 44 . 6 ARG H H 7.53 0.01 1 45 . 6 ARG HA H 4.14 0.01 1 46 . 6 ARG HB2 H 2.00 0.01 2 47 . 6 ARG HB3 H 1.89 0.01 2 48 . 6 ARG HG2 H 1.80 0.01 1 49 . 6 ARG HG3 H 1.80 0.01 1 50 . 6 ARG HD2 H 3.30 0.01 1 51 . 6 ARG HD3 H 3.30 0.01 1 52 . 6 ARG HE H 7.24 0.01 1 53 . 6 ARG CA C 59.37 0.02 1 54 . 6 ARG CB C 30.78 0.02 1 55 . 6 ARG CG C 27.95 0.02 1 56 . 6 ARG CD C 44.20 0.02 1 57 . 7 ASP H H 8.03 0.01 1 58 . 7 ASP HA H 4.59 0.01 1 59 . 7 ASP HB2 H 3.19 0.01 2 60 . 7 ASP HB3 H 2.89 0.01 2 61 . 7 ASP CA C 57.09 0.02 1 62 . 7 ASP CB C 38.94 0.02 1 63 . 8 ILE H H 8.05 0.01 1 64 . 8 ILE HA H 4.07 0.01 1 65 . 8 ILE HB H 2.05 0.01 1 66 . 8 ILE HG12 H 1.71 0.01 2 67 . 8 ILE HG13 H 1.27 0.01 2 68 . 8 ILE HG2 H 1.05 0.01 1 69 . 8 ILE HD1 H 0.93 0.01 1 70 . 8 ILE CA C 65.49 0.02 1 71 . 8 ILE CB C 38.86 0.02 1 72 . 8 ILE CG1 C 29.39 0.02 1 73 . 8 ILE CG2 C 17.70 0.02 1 74 . 8 ILE CD1 C 13.28 0.02 1 75 . 9 TRP H H 8.35 0.01 1 76 . 9 TRP HA H 4.58 0.01 1 77 . 9 TRP HB2 H 3.42 0.01 1 78 . 9 TRP HB3 H 3.42 0.01 1 79 . 9 TRP HD1 H 7.19 0.01 1 80 . 9 TRP HE1 H 9.51 0.01 1 81 . 9 TRP HE3 H 7.64 0.01 1 82 . 9 TRP HZ2 H 7.39 0.01 1 83 . 9 TRP HZ3 H 7.11 0.01 1 84 . 9 TRP HH2 H 7.17 0.01 1 85 . 9 TRP CA C 61.21 0.02 1 86 . 9 TRP CB C 30.10 0.02 1 87 . 9 TRP CD1 C 127.15 0.02 1 88 . 9 TRP CE3 C 121.76 0.02 1 89 . 9 TRP CZ2 C 115.20 0.02 1 90 . 9 TRP CZ3 C 122.68 0.02 1 91 . 9 TRP CH2 C 125.13 0.02 1 92 . 10 ASP H H 8.64 0.01 1 93 . 10 ASP HA H 4.36 0.01 1 94 . 10 ASP HB2 H 3.25 0.01 2 95 . 10 ASP HB3 H 2.97 0.01 2 96 . 10 ASP CA C 56.63 0.02 1 97 . 10 ASP CB C 38.94 0.02 1 98 . 11 TRP H H 8.03 0.01 1 99 . 11 TRP HA H 4.49 0.01 1 100 . 11 TRP HB2 H 3.69 0.01 2 101 . 11 TRP HB3 H 3.41 0.01 2 102 . 11 TRP HD1 H 7.14 0.01 1 103 . 11 TRP HE1 H 9.42 0.01 1 104 . 11 TRP HE3 H 7.65 0.01 1 105 . 11 TRP HZ2 H 7.37 0.01 1 106 . 11 TRP HZ3 H 7.06 0.01 1 107 . 11 TRP HH2 H 7.16 0.01 1 108 . 11 TRP CA C 62.00 0.02 1 109 . 11 TRP CB C 29.70 0.02 1 110 . 11 TRP CD1 C 127.01 0.02 1 111 . 11 TRP CE3 C 121.76 0.02 1 112 . 11 TRP CZ2 C 114.90 0.02 1 113 . 11 TRP CZ3 C 122.48 0.02 1 114 . 11 TRP CH2 C 124.99 0.02 1 115 . 12 ILE H H 8.71 0.01 1 116 . 12 ILE HA H 3.35 0.01 1 117 . 12 ILE HB H 1.97 0.01 1 118 . 12 ILE HG12 H 1.21 0.01 2 119 . 12 ILE HG13 H 1.99 0.01 2 120 . 12 ILE HG2 H 0.85 0.01 1 121 . 12 ILE HD1 H 0.90 0.01 1 122 . 12 ILE CA C 66.37 0.02 1 123 . 12 ILE CB C 38.65 0.02 1 124 . 12 ILE CG1 C 29.90 0.02 1 125 . 12 ILE CG2 C 17.44 0.02 1 126 . 12 ILE CD1 C 13.57 0.02 1 127 . 13 CYS H H 8.19 0.01 1 128 . 13 CYS HA H 3.85 0.01 1 129 . 13 CYS HB2 H 2.86 0.01 2 130 . 13 CYS HB3 H 2.56 0.01 2 131 . 13 CYS HG H 1.88 0.01 1 132 . 13 CYS CA C 65.08 0.02 1 133 . 13 CYS CB C 27.27 0.02 1 134 . 14 GLU H H 7.96 0.01 1 135 . 14 GLU HA H 3.99 0.01 1 136 . 14 GLU HB2 H 2.29 0.01 2 137 . 14 GLU HB3 H 2.21 0.01 2 138 . 14 GLU HG2 H 2.56 0.01 2 139 . 14 GLU HG3 H 2.43 0.01 2 140 . 14 GLU CA C 60.30 0.02 1 141 . 14 GLU CB C 28.66 0.02 1 142 . 14 GLU CG C 33.70 0.02 1 143 . 15 VAL H H 8.32 0.01 1 144 . 15 VAL HA H 3.44 0.01 1 145 . 15 VAL HB H 1.82 0.01 1 146 . 15 VAL HG1 H 0.69 0.01 1 147 . 15 VAL HG2 H 0.30 0.01 1 148 . 15 VAL CA C 67.93 0.02 1 149 . 15 VAL CB C 32.39 0.02 1 150 . 15 VAL CG1 C 21.30 0.02 1 151 . 15 VAL CG2 C 22.18 0.02 1 152 . 16 LEU H H 8.62 0.01 1 153 . 16 LEU HA H 4.17 0.01 1 154 . 16 LEU HB2 H 1.86 0.01 2 155 . 16 LEU HB3 H 1.48 0.01 2 156 . 16 LEU HG H 1.86 0.01 1 157 . 16 LEU HD1 H 0.87 0.01 2 158 . 16 LEU HD2 H 0.86 0.01 2 159 . 16 LEU CA C 59.08 0.02 1 160 . 16 LEU CB C 42.59 0.02 1 161 . 16 LEU CG C 27.74 0.02 1 162 . 17 SER H H 8.10 0.01 1 163 . 17 SER HA H 4.25 0.01 1 164 . 17 SER HB2 H 4.12 0.01 2 165 . 17 SER HB3 H 4.02 0.01 2 166 . 17 SER CA C 63.00 0.02 1 167 . 17 SER CB C 63.87 0.02 1 168 . 18 ASP H H 8.42 0.01 1 169 . 18 ASP HA H 4.50 0.01 1 170 . 18 ASP HB2 H 3.19 0.01 2 171 . 18 ASP HB3 H 2.76 0.01 2 172 . 18 ASP CA C 56.90 0.02 1 173 . 18 ASP CB C 37.94 0.02 1 174 . 19 PHE H H 8.73 0.01 1 175 . 19 PHE HA H 4.43 0.01 1 176 . 19 PHE HB2 H 3.32 0.01 2 177 . 19 PHE HB3 H 3.26 0.01 2 178 . 19 PHE HD1 H 7.20 0.01 1 179 . 19 PHE HD2 H 7.20 0.01 1 180 . 19 PHE HE1 H 7.29 0.01 1 181 . 19 PHE HE2 H 7.29 0.01 1 182 . 19 PHE HZ H 7.30 0.01 1 183 . 19 PHE CA C 62.50 0.02 1 184 . 19 PHE CB C 39.92 0.02 1 185 . 19 PHE CD1 C 132.14 0.02 1 186 . 19 PHE CD2 C 132.14 0.02 1 187 . 19 PHE CE1 C 132.02 0.02 1 188 . 19 PHE CE2 C 132.02 0.02 1 189 . 19 PHE CZ C 130.52 0.02 1 190 . 20 LYS H H 8.53 0.01 1 191 . 20 LYS HA H 3.93 0.01 1 192 . 20 LYS HB2 H 2.06 0.01 2 193 . 20 LYS HB3 H 1.98 0.01 2 194 . 20 LYS HG2 H 1.53 0.01 2 195 . 20 LYS HG3 H 1.85 0.01 2 196 . 20 LYS HD2 H 1.79 0.01 1 197 . 20 LYS HD3 H 1.79 0.01 1 198 . 20 LYS HE2 H 3.01 0.01 1 199 . 20 LYS HE3 H 3.01 0.01 1 200 . 20 LYS HZ H 7.66 0.01 1 201 . 20 LYS CA C 61.29 0.02 1 202 . 20 LYS CB C 33.30 0.02 1 203 . 20 LYS CG C 26.69 0.02 1 204 . 20 LYS CD C 30.66 0.02 1 205 . 20 LYS CE C 43.14 0.02 1 206 . 21 THR H H 7.95 0.01 1 207 . 21 THR HA H 3.94 0.01 1 208 . 21 THR HB H 4.46 0.01 1 209 . 21 THR HG2 H 1.31 0.01 1 210 . 21 THR CA C 67.90 0.02 1 211 . 21 THR CB C 69.70 0.02 1 212 . 21 THR CG2 C 22.16 0.02 1 213 . 22 TRP H H 8.22 0.01 1 214 . 22 TRP HA H 4.25 0.01 1 215 . 22 TRP HB2 H 3.56 0.01 2 216 . 22 TRP HB3 H 3.32 0.01 2 217 . 22 TRP HD1 H 7.16 0.01 1 218 . 22 TRP HE1 H 9.76 0.01 1 219 . 22 TRP HE3 H 7.38 0.01 1 220 . 22 TRP HZ2 H 7.44 0.01 1 221 . 22 TRP HZ3 H 7.06 0.01 1 222 . 22 TRP HH2 H 7.21 0.01 1 223 . 22 TRP CA C 62.14 0.02 1 224 . 22 TRP CB C 29.63 0.02 1 225 . 22 TRP CD1 C 127.15 0.02 1 226 . 22 TRP CE3 C 121.72 0.02 1 227 . 22 TRP CZ2 C 114.76 0.02 1 228 . 22 TRP CZ3 C 122.77 0.02 1 229 . 22 TRP CH2 C 125.12 0.02 1 230 . 23 LEU H H 8.61 0.01 1 231 . 23 LEU HA H 3.71 0.01 1 232 . 23 LEU HB2 H 1.55 0.01 1 233 . 23 LEU HB3 H 1.55 0.01 1 234 . 23 LEU HG H 1.56 0.01 1 235 . 23 LEU HD1 H 0.89 0.01 2 236 . 23 LEU HD2 H 0.83 0.01 2 237 . 23 LEU CA C 58.89 0.02 1 238 . 23 LEU CB C 43.04 0.02 1 239 . 23 LEU CG C 27.54 0.02 1 240 . 24 LYS H H 7.96 0.01 1 241 . 24 LYS HA H 3.89 0.01 1 242 . 24 LYS HB2 H 1.98 0.01 1 243 . 24 LYS HB3 H 1.98 0.01 1 244 . 24 LYS HG2 H 1.49 0.01 2 245 . 24 LYS HG3 H 1.63 0.01 2 246 . 24 LYS HD2 H 1.75 0.01 1 247 . 24 LYS HD3 H 1.75 0.01 1 248 . 24 LYS HE2 H 3.01 0.01 1 249 . 24 LYS HE3 H 3.01 0.01 1 250 . 24 LYS HZ H 7.65 0.01 1 251 . 24 LYS CA C 60.67 0.02 1 252 . 24 LYS CB C 33.26 0.02 1 253 . 24 LYS CG C 26.17 0.02 1 254 . 24 LYS CD C 30.51 0.02 1 255 . 24 LYS CE C 43.14 0.02 1 256 . 25 ALA H H 7.76 0.01 1 257 . 25 ALA HA H 4.12 0.01 1 258 . 25 ALA HB H 1.47 0.01 1 259 . 25 ALA CA C 55.30 0.02 1 260 . 25 ALA CB C 18.88 0.02 1 261 . 26 LYS H H 7.82 0.01 1 262 . 26 LYS HA H 4.06 0.01 1 263 . 26 LYS HB2 H 1.60 0.01 1 264 . 26 LYS HB3 H 1.60 0.01 1 265 . 26 LYS HG2 H 1.11 0.01 2 266 . 26 LYS HG3 H 0.95 0.01 2 267 . 26 LYS HD2 H 1.42 0.01 1 268 . 26 LYS HD3 H 1.42 0.01 1 269 . 26 LYS HE2 H 2.84 0.01 2 270 . 26 LYS HE3 H 2.69 0.01 2 271 . 26 LYS HZ H 7.47 0.01 1 272 . 26 LYS CA C 57.63 0.02 1 273 . 26 LYS CB C 32.83 0.02 1 274 . 26 LYS CG C 24.51 0.02 1 275 . 26 LYS CD C 28.94 0.02 1 276 . 26 LYS CE C 43.04 0.02 1 277 . 27 LEU H H 7.86 0.01 1 278 . 27 LEU HA H 4.32 0.01 1 279 . 27 LEU HB2 H 1.75 0.01 2 280 . 27 LEU HB3 H 1.59 0.01 2 281 . 27 LEU HG H 1.77 0.01 1 282 . 27 LEU HD1 H 0.87 0.01 2 283 . 27 LEU HD2 H 0.85 0.01 2 284 . 27 LEU CA C 56.50 0.02 1 285 . 27 LEU CB C 43.76 0.02 1 286 . 27 LEU CG C 27.73 0.02 1 287 . 28 MET H H 7.78 0.01 1 288 . 28 MET HA H 4.73 0.01 1 289 . 28 MET HB2 H 2.12 0.01 1 290 . 28 MET HB3 H 2.12 0.01 1 291 . 28 MET HG2 H 2.67 0.01 1 292 . 28 MET HG3 H 2.67 0.01 1 293 . 28 MET HE H 2.13 0.01 1 294 . 28 MET CA C 55.57 0.02 1 295 . 28 MET CB C 33.24 0.02 1 296 . 28 MET CG C 33.13 0.02 1 297 . 28 MET CE C 17.39 0.02 1 298 . 29 PRO HA H 4.45 0.01 1 299 . 29 PRO HB2 H 2.34 0.01 2 300 . 29 PRO HB3 H 1.92 0.01 2 301 . 29 PRO HG2 H 2.04 0.01 1 302 . 29 PRO HG3 H 2.04 0.01 1 303 . 29 PRO HD2 H 3.77 0.01 2 304 . 29 PRO HD3 H 3.65 0.01 2 305 . 29 PRO CA C 64.80 0.02 1 306 . 29 PRO CB C 32.67 0.02 1 307 . 29 PRO CG C 28.15 0.02 1 308 . 29 PRO CD C 51.42 0.02 1 309 . 30 GLN H H 8.24 0.01 1 310 . 30 GLN HA H 4.45 0.01 1 311 . 30 GLN HB2 H 2.21 0.01 2 312 . 30 GLN HB3 H 2.05 0.01 2 313 . 30 GLN HG2 H 2.43 0.01 1 314 . 30 GLN HG3 H 2.43 0.01 1 315 . 30 GLN HE21 H 7.49 0.01 2 316 . 30 GLN HE22 H 6.65 0.01 2 317 . 30 GLN CA C 56.31 0.02 1 318 . 30 GLN CB C 30.56 0.02 1 319 . 30 GLN CG C 34.64 0.02 1 320 . 31 LEU H H 7.92 0.01 1 321 . 31 LEU HA H 4.45 0.01 1 322 . 31 LEU HB2 H 1.71 0.01 1 323 . 31 LEU HB3 H 1.71 0.01 1 324 . 31 LEU HG H 1.71 0.01 1 325 . 31 LEU HD1 H 0.96 0.01 1 326 . 31 LEU HD2 H 0.91 0.01 1 327 . 31 LEU CA C 55.30 0.02 1 328 . 31 LEU CB C 43.32 0.02 1 329 . 31 LEU CG C 28.01 0.02 1 330 . 31 LEU CD1 C 25.39 0.02 1 331 . 31 LEU CD2 C 23.58 0.02 1 stop_ save_ save_chemical_shift_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_sds stop_ _Sample_conditions_label $condition_sds _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NS5A, 1-31' _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 SER HB2 H 4.11 0.01 1 2 . 1 SER HB3 H 4.11 0.01 1 3 . 1 SER CA C 58.82 0.02 1 4 . 2 GLY HA2 H 4.05 0.01 1 5 . 2 GLY HA3 H 4.05 0.01 1 6 . 2 GLY CA C 45.55 0.02 1 7 . 3 SER H H 8.21 0.01 1 8 . 3 SER HA H 4.49 0.01 1 9 . 3 SER HB2 H 3.96 0.01 2 10 . 3 SER HB3 H 3.80 0.01 2 11 . 3 SER CA C 58.82 0.02 1 12 . 3 SER CB C 63.71 0.02 1 13 . 4 TRP H H 7.97 0.01 1 14 . 4 TRP HA H 4.49 0.01 1 15 . 4 TRP HB2 H 3.40 0.01 2 16 . 4 TRP HB3 H 3.31 0.01 2 17 . 4 TRP HD1 H 7.46 0.01 1 18 . 4 TRP HE1 H 9.96 0.01 1 19 . 4 TRP HE3 H 7.51 0.01 1 20 . 4 TRP HZ2 H 7.50 0.01 1 21 . 4 TRP CA C 57.27 0.02 1 22 . 4 TRP CB C 28.84 0.02 1 23 . 4 TRP CD1 C 127.23 0.02 1 24 . 4 TRP CE3 C 120.64 0.02 1 25 . 4 TRP CZ2 C 114.41 0.02 1 26 . 5 LEU H H 7.48 0.01 1 27 . 5 LEU HA H 3.89 0.01 1 28 . 5 LEU HB2 H 1.38 0.01 1 29 . 5 LEU HB3 H 1.38 0.01 1 30 . 5 LEU HG H 1.36 0.01 1 31 . 5 LEU HD1 H 0.84 0.01 2 32 . 5 LEU HD2 H 0.71 0.01 2 33 . 5 LEU CA C 56.53 0.02 1 34 . 5 LEU CB C 41.58 0.02 1 35 . 6 ARG H H 7.58 0.01 1 36 . 6 ARG HA H 4.04 0.01 1 37 . 6 ARG HB2 H 1.96 0.01 2 38 . 6 ARG HB3 H 1.88 0.01 2 39 . 6 ARG HG2 H 1.73 0.01 1 40 . 6 ARG HG3 H 1.73 0.01 1 41 . 6 ARG HD2 H 3.25 0.01 1 42 . 6 ARG HD3 H 3.25 0.01 1 43 . 6 ARG CA C 58.89 0.02 1 44 . 6 ARG CB C 29.34 0.02 1 45 . 6 ARG CG C 27.28 0.02 1 46 . 6 ARG CD C 42.92 0.02 1 47 . 7 ASP H H 8.03 0.01 1 48 . 7 ASP HA H 4.49 0.01 1 49 . 7 ASP HB2 H 2.93 0.01 2 50 . 7 ASP HB3 H 2.72 0.01 2 51 . 7 ASP CA C 59.75 0.02 1 52 . 7 ASP CB C 38.94 0.02 1 53 . 8 ILE H H 8.07 0.01 1 54 . 8 ILE HA H 4.09 0.01 1 55 . 8 ILE HB H 2.13 0.01 1 56 . 8 ILE HG12 H 1.71 0.01 2 57 . 8 ILE HG13 H 1.20 0.01 2 58 . 8 ILE HG2 H 1.02 0.01 1 59 . 8 ILE HD1 H 0.81 0.01 1 60 . 8 ILE CA C 64.49 0.02 1 61 . 8 ILE CB C 37.90 0.02 1 62 . 8 ILE CG2 C 17.76 0.02 1 63 . 8 ILE CD1 C 13.76 0.02 1 64 . 9 TRP H H 8.32 0.01 1 65 . 9 TRP HA H 4.65 0.01 1 66 . 9 TRP HB2 H 3.41 0.01 1 67 . 9 TRP HB3 H 3.41 0.01 1 68 . 9 TRP HD1 H 7.18 0.01 1 69 . 9 TRP HE1 H 9.77 0.01 1 70 . 9 TRP HE3 H 7.43 0.01 1 71 . 9 TRP HZ2 H 7.39 0.01 1 72 . 9 TRP HZ3 H 7.02 0.01 1 73 . 9 TRP CA C 59.83 0.02 1 74 . 9 TRP CB C 30.24 0.02 1 75 . 9 TRP CD1 C 126.69 0.02 1 76 . 9 TRP CE3 C 120.80 0.02 1 77 . 9 TRP CZ2 C 114.34 0.02 1 78 . 9 TRP CZ3 C 121.82 0.02 1 79 . 10 ASP H H 8.59 0.01 1 80 . 10 ASP HA H 4.19 0.01 1 81 . 10 ASP HB2 H 2.86 0.01 2 82 . 10 ASP HB3 H 2.69 0.01 2 83 . 10 ASP CA C 57.58 0.02 1 84 . 10 ASP CB C 42.03 0.02 1 85 . 11 TRP H H 7.82 0.01 1 86 . 11 TRP HA H 4.29 0.01 1 87 . 11 TRP HB2 H 3.61 0.01 2 88 . 11 TRP HB3 H 3.31 0.01 2 89 . 11 TRP HD1 H 7.28 0.01 1 90 . 11 TRP HE1 H 9.83 0.01 1 91 . 11 TRP HE3 H 7.51 0.01 1 92 . 11 TRP HZ2 H 7.36 0.01 1 93 . 11 TRP HZ3 H 6.89 0.01 1 94 . 11 TRP CA C 61.68 0.02 1 95 . 11 TRP CB C 28.84 0.02 1 96 . 11 TRP CD1 C 126.88 0.02 1 97 . 11 TRP CE3 C 120.64 0.02 1 98 . 11 TRP CZ2 C 114.78 0.02 1 99 . 11 TRP CZ3 C 121.23 0.02 1 100 . 12 ILE H H 8.65 0.01 1 101 . 12 ILE HA H 3.24 0.01 1 102 . 12 ILE HB H 1.96 0.01 1 103 . 12 ILE HG12 H 1.13 0.01 2 104 . 12 ILE HG13 H 1.20 0.01 2 105 . 12 ILE HG2 H 0.90 0.01 1 106 . 12 ILE HD1 H 0.69 0.01 1 107 . 12 ILE CA C 64.88 0.02 1 108 . 12 ILE CB C 37.49 0.02 1 109 . 12 ILE CG2 C 17.76 0.02 1 110 . 12 ILE CD1 C 13.50 0.02 1 111 . 13 CYS H H 8.02 0.01 1 112 . 13 CYS HA H 3.62 0.01 1 113 . 13 CYS HB2 H 2.61 0.01 2 114 . 13 CYS HB3 H 2.38 0.01 2 115 . 13 CYS CA C 64.07 0.02 1 116 . 13 CYS CB C 26.31 0.02 1 117 . 14 GLU H H 7.51 0.01 1 118 . 14 GLU HA H 3.98 0.01 1 119 . 14 GLU HB2 H 2.23 0.01 2 120 . 14 GLU HB3 H 2.05 0.01 2 121 . 14 GLU HG2 H 2.31 0.01 1 122 . 14 GLU HG3 H 2.31 0.01 1 123 . 14 GLU CA C 62.33 0.02 1 124 . 14 GLU CB C 31.99 0.02 1 125 . 14 GLU CG C 35.00 0.02 1 126 . 15 VAL H H 7.82 0.01 1 127 . 15 VAL HA H 3.76 0.01 1 128 . 15 VAL HB H 1.68 0.01 1 129 . 15 VAL HG1 H 0.50 0.01 1 130 . 15 VAL HG2 H 0.24 0.01 1 131 . 15 VAL CA C 65.01 0.02 1 132 . 15 VAL CB C 31.64 0.02 1 133 . 15 VAL CG1 C 21.07 0.02 1 134 . 15 VAL CG2 C 20.74 0.02 1 135 . 16 LEU H H 8.08 0.01 1 136 . 16 LEU HA H 4.13 0.01 1 137 . 16 LEU HB2 H 1.73 0.01 1 138 . 16 LEU HB3 H 1.73 0.01 1 139 . 16 LEU HG H 1.60 0.01 1 140 . 16 LEU HD1 H 0.79 0.01 2 141 . 16 LEU HD2 H 0.74 0.01 2 142 . 16 LEU CA C 57.13 0.02 1 143 . 16 LEU CB C 41.42 0.02 1 144 . 17 SER H H 7.76 0.01 1 145 . 17 SER HA H 4.14 0.01 1 146 . 17 SER HB2 H 3.98 0.01 1 147 . 17 SER HB3 H 3.98 0.01 1 148 . 17 SER CA C 61.83 0.02 1 149 . 17 SER CB C 62.96 0.02 1 150 . 18 ASP HA H 4.68 0.01 1 151 . 18 ASP HB2 H 2.78 0.01 1 152 . 18 ASP HB3 H 2.78 0.01 1 153 . 18 ASP CA C 60.64 0.02 1 154 . 18 ASP CB C 39.64 0.02 1 155 . 19 PHE H H 8.16 0.01 1 156 . 19 PHE HA H 4.48 0.01 1 157 . 19 PHE HB2 H 3.27 0.01 1 158 . 19 PHE HB3 H 3.27 0.01 1 159 . 19 PHE HD1 H 7.14 0.01 1 160 . 19 PHE HD2 H 7.14 0.01 1 161 . 19 PHE HE1 H 7.19 0.01 1 162 . 19 PHE HE2 H 7.19 0.01 1 163 . 19 PHE HZ H 7.19 0.01 1 164 . 19 PHE CA C 60.64 0.02 1 165 . 19 PHE CB C 39.31 0.02 1 166 . 19 PHE CD1 C 131.48 0.02 1 167 . 19 PHE CD2 C 131.48 0.02 1 168 . 19 PHE CE1 C 131.17 0.02 1 169 . 19 PHE CE2 C 131.17 0.02 1 170 . 19 PHE CZ C 129.43 0.02 1 171 . 20 LYS H H 8.50 0.01 1 172 . 20 LYS HA H 3.75 0.01 1 173 . 20 LYS HB2 H 1.97 0.01 2 174 . 20 LYS HB3 H 1.80 0.01 2 175 . 20 LYS HG2 H 1.39 0.01 1 176 . 20 LYS HG3 H 1.39 0.01 1 177 . 20 LYS HD2 H 1.68 0.01 1 178 . 20 LYS HD3 H 1.68 0.01 1 179 . 20 LYS HE2 H 2.96 0.01 1 180 . 20 LYS HE3 H 2.96 0.01 1 181 . 20 LYS HZ H 7.66 0.01 1 182 . 20 LYS CA C 60.84 0.02 1 183 . 20 LYS CB C 29.57 0.02 1 184 . 20 LYS CG C 26.69 0.02 1 185 . 20 LYS CD C 30.66 0.02 1 186 . 20 LYS CE C 39.64 0.02 1 187 . 21 THR H H 7.80 0.01 1 188 . 21 THR HA H 3.82 0.01 1 189 . 21 THR HB H 4.33 0.01 1 190 . 21 THR HG2 H 1.26 0.01 1 191 . 21 THR CA C 66.61 0.02 1 192 . 21 THR CB C 68.66 0.02 1 193 . 21 THR CG2 C 22.02 0.02 1 194 . 22 TRP H H 7.99 0.01 1 195 . 22 TRP HA H 4.11 0.01 1 196 . 22 TRP HB2 H 3.50 0.01 2 197 . 22 TRP HB3 H 3.31 0.01 2 198 . 22 TRP HD1 H 7.32 0.01 1 199 . 22 TRP HE1 H 9.90 0.01 1 200 . 22 TRP HE3 H 7.25 0.01 1 201 . 22 TRP HZ2 H 7.47 0.01 1 202 . 22 TRP HZ3 H 6.89 0.01 1 203 . 22 TRP HH2 H 7.04 0.01 1 204 . 22 TRP CA C 58.74 0.02 1 205 . 22 TRP CB C 28.84 0.02 1 206 . 22 TRP CD1 C 127.39 0.02 1 207 . 22 TRP CE3 C 120.64 0.02 1 208 . 22 TRP CZ2 C 114.53 0.02 1 209 . 22 TRP CZ3 C 121.23 0.02 1 210 . 22 TRP CH2 C 123.78 0.02 1 211 . 23 LEU H H 8.63 0.01 1 212 . 23 LEU HA H 3.52 0.01 1 213 . 23 LEU HB2 H 1.51 0.01 1 214 . 23 LEU HB3 H 1.51 0.01 1 215 . 23 LEU HG H 1.44 0.01 1 216 . 23 LEU HD1 H 0.86 0.01 2 217 . 23 LEU HD2 H 0.76 0.01 2 218 . 23 LEU CA C 57.84 0.02 1 219 . 23 LEU CB C 43.34 0.02 1 220 . 23 LEU CG C 27.54 0.02 1 221 . 24 LYS H H 8.12 0.01 1 222 . 24 LYS HA H 3.71 0.01 1 223 . 24 LYS HB2 H 1.84 0.01 1 224 . 24 LYS HB3 H 1.84 0.01 1 225 . 24 LYS HG2 H 1.40 0.01 1 226 . 24 LYS HG3 H 1.40 0.01 1 227 . 24 LYS HD2 H 1.63 0.01 1 228 . 24 LYS HD3 H 1.63 0.01 1 229 . 24 LYS HE2 H 2.93 0.01 1 230 . 24 LYS HE3 H 2.93 0.01 1 231 . 24 LYS HZ H 7.65 0.01 1 232 . 24 LYS CA C 60.13 0.02 1 233 . 24 LYS CB C 29.36 0.02 1 234 . 24 LYS CE C 39.64 0.02 1 235 . 25 ALA H H 7.40 0.01 1 236 . 25 ALA HA H 4.02 0.01 1 237 . 25 ALA HB H 1.34 0.01 1 238 . 25 ALA CA C 54.11 0.02 1 239 . 25 ALA CB C 18.02 0.02 1 240 . 26 LYS H H 7.46 0.01 1 241 . 26 LYS HA H 3.92 0.01 1 242 . 26 LYS HB2 H 1.38 0.01 2 243 . 26 LYS HB3 H 1.29 0.01 2 244 . 26 LYS HG2 H 0.85 0.01 2 245 . 26 LYS HG3 H 0.62 0.01 2 246 . 26 LYS HD2 H 1.38 0.01 1 247 . 26 LYS HD3 H 1.38 0.01 1 248 . 26 LYS HE2 H 2.79 0.01 2 249 . 26 LYS HE3 H 2.49 0.01 2 250 . 26 LYS HZ H 7.45 0.01 1 251 . 26 LYS CA C 57.98 0.02 1 252 . 26 LYS CB C 32.26 0.02 1 253 . 27 LEU H H 7.66 0.01 1 254 . 27 LEU HA H 4.25 0.01 1 255 . 27 LEU HB2 H 1.62 0.01 1 256 . 27 LEU HB3 H 1.62 0.01 1 257 . 27 LEU HG H 1.51 0.01 1 258 . 27 LEU HD1 H 0.79 0.01 1 259 . 27 LEU HD2 H 0.79 0.01 1 260 . 27 LEU CA C 55.66 0.02 1 261 . 27 LEU CB C 42.31 0.02 1 262 . 28 MET H H 7.74 0.01 1 263 . 28 MET HA H 4.67 0.01 1 264 . 28 MET HB2 H 2.04 0.01 1 265 . 28 MET HB3 H 1.99 0.01 1 266 . 28 MET HG2 H 2.52 0.01 1 267 . 28 MET HG3 H 2.52 0.01 1 268 . 28 MET CA C 54.26 0.02 1 269 . 28 MET CB C 32.52 0.02 1 270 . 28 MET CG C 27.52 0.02 1 271 . 28 MET CE C 17.26 0.02 1 272 . 29 PRO HA H 4.39 0.01 1 273 . 29 PRO HB2 H 2.27 0.01 2 274 . 29 PRO HB3 H 1.81 0.01 2 275 . 29 PRO HG2 H 1.93 0.01 1 276 . 29 PRO HG3 H 1.93 0.01 1 277 . 29 PRO HD2 H 3.77 0.01 2 278 . 29 PRO HD3 H 3.56 0.01 2 279 . 29 PRO CA C 63.76 0.02 1 280 . 29 PRO CB C 28.78 0.02 1 281 . 29 PRO CG C 27.41 0.02 1 282 . 29 PRO CD C 50.66 0.02 1 283 . 30 GLN H H 8.30 0.01 1 284 . 30 GLN HA H 4.31 0.01 1 285 . 30 GLN HB2 H 2.11 0.01 2 286 . 30 GLN HB3 H 1.93 0.01 2 287 . 30 GLN HG2 H 2.33 0.01 1 288 . 30 GLN HG3 H 2.33 0.01 1 289 . 30 GLN HE21 H 7.47 0.01 2 290 . 30 GLN HE22 H 6.69 0.01 2 291 . 30 GLN CA C 55.53 0.02 1 292 . 30 GLN CB C 29.18 0.02 1 293 . 30 GLN CG C 33.76 0.02 1 294 . 31 LEU H H 7.65 0.01 1 295 . 31 LEU HA H 4.16 0.01 1 296 . 31 LEU HB2 H 1.55 0.01 1 297 . 31 LEU HB3 H 1.55 0.01 1 298 . 31 LEU HG H 1.55 0.01 1 299 . 31 LEU HD1 H 0.85 0.01 1 300 . 31 LEU HD2 H 0.81 0.01 1 301 . 31 LEU CA C 56.61 0.02 1 302 . 31 LEU CB C 43.34 0.02 1 stop_ save_ save_chemical_shift_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_dpc stop_ _Sample_conditions_label $condition_dpc _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'NS5A, 1-31' _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 . 4 TRP HA H 4.51 0.01 1 2 . 4 TRP HB2 H 3.42 0.01 1 3 . 4 TRP HB3 H 3.42 0.01 1 4 . 4 TRP HD1 H 7.44 0.01 1 5 . 4 TRP HE1 H 10.51 0.01 1 6 . 4 TRP HE3 H 7.51 0.01 1 7 . 5 LEU H H 7.27 0.01 1 8 . 5 LEU HA H 3.80 0.01 1 9 . 5 LEU HB2 H 1.36 0.01 1 10 . 5 LEU HB3 H 1.36 0.01 1 11 . 5 LEU HG H 1.27 0.01 1 12 . 5 LEU HD1 H 0.82 0.01 2 13 . 5 LEU HD2 H 0.68 0.01 2 14 . 6 ARG H H 7.59 0.01 1 15 . 6 ARG HA H 4.03 0.01 1 16 . 6 ARG HB2 H 1.93 0.01 1 17 . 6 ARG HB3 H 1.93 0.01 1 18 . 6 ARG HG2 H 1.79 0.01 1 19 . 6 ARG HG3 H 1.79 0.01 1 20 . 6 ARG HD2 H 3.30 0.01 1 21 . 6 ARG HD3 H 3.30 0.01 1 22 . 7 ASP H H 8.07 0.01 1 23 . 7 ASP HA H 4.49 0.01 1 24 . 7 ASP HB2 H 2.90 0.01 2 25 . 7 ASP HB3 H 2.64 0.01 2 26 . 8 ILE H H 8.02 0.01 1 27 . 8 ILE HA H 4.03 0.01 1 28 . 8 ILE HB H 2.02 0.01 1 29 . 8 ILE HG12 H 1.12 0.01 2 30 . 8 ILE HG13 H 1.00 0.01 2 31 . 8 ILE HG2 H 0.87 0.01 1 32 . 8 ILE HD1 H 0.72 0.01 1 33 . 9 TRP H H 8.25 0.01 1 34 . 9 TRP HA H 4.48 0.01 1 35 . 9 TRP HB2 H 3.49 0.01 2 36 . 9 TRP HB3 H 3.35 0.01 2 37 . 9 TRP HD1 H 7.25 0.01 1 38 . 9 TRP HE1 H 10.26 0.01 1 39 . 9 TRP HE3 H 7.41 0.01 1 40 . 10 ASP H H 8.74 0.01 1 41 . 10 ASP HA H 4.19 0.01 1 42 . 10 ASP HB2 H 2.87 0.01 2 43 . 10 ASP HB3 H 2.70 0.01 2 44 . 11 TRP H H 7.83 0.01 1 45 . 11 TRP HA H 4.36 0.01 1 46 . 11 TRP HB2 H 3.62 0.01 2 47 . 11 TRP HB3 H 3.34 0.01 2 48 . 11 TRP HD1 H 7.35 0.01 1 49 . 11 TRP HE1 H 10.51 0.01 1 50 . 11 TRP HE3 H 7.60 0.01 1 51 . 11 TRP HZ3 H 6.85 0.01 1 52 . 11 TRP HH2 H 6.99 0.01 1 53 . 12 ILE H H 8.70 0.01 1 54 . 12 ILE HA H 3.17 0.01 1 55 . 12 ILE HB H 1.97 0.01 1 56 . 12 ILE HG12 H 1.12 0.01 2 57 . 12 ILE HG13 H 1.00 0.01 2 58 . 12 ILE HG2 H 0.74 0.01 1 59 . 12 ILE HD1 H 0.88 0.01 1 60 . 13 CYS H H 7.96 0.01 1 61 . 13 CYS HA H 3.63 0.01 1 62 . 13 CYS HB2 H 2.72 0.01 2 63 . 13 CYS HB3 H 2.35 0.01 2 64 . 14 GLU H H 7.61 0.01 1 65 . 14 GLU HA H 3.96 0.01 1 66 . 14 GLU HB2 H 2.08 0.01 1 67 . 14 GLU HB3 H 2.08 0.01 1 68 . 14 GLU HG2 H 2.34 0.01 1 69 . 14 GLU HG3 H 2.34 0.01 1 70 . 15 VAL H H 7.94 0.01 1 71 . 15 VAL HA H 3.69 0.01 1 72 . 15 VAL HB H 1.70 0.01 1 73 . 15 VAL HG1 H 0.54 0.01 1 74 . 15 VAL HG2 H 0.25 0.01 1 75 . 16 LEU H H 8.12 0.01 1 76 . 16 LEU HA H 4.13 0.01 1 77 . 16 LEU HB2 H 1.77 0.01 1 78 . 16 LEU HB3 H 1.77 0.01 1 79 . 16 LEU HG H 1.57 0.01 1 80 . 16 LEU HD1 H 0.74 0.01 1 81 . 16 LEU HD2 H 0.74 0.01 1 82 . 17 SER H H 7.77 0.01 1 83 . 17 SER HA H 4.00 0.01 1 84 . 17 SER HB2 H 3.83 0.01 1 85 . 17 SER HB3 H 3.83 0.01 1 86 . 18 ASP HA H 4.51 0.01 1 87 . 18 ASP HB2 H 2.74 0.01 2 88 . 18 ASP HB3 H 2.60 0.01 2 89 . 19 PHE H H 8.46 0.01 1 90 . 19 PHE HA H 4.47 0.01 1 91 . 19 PHE HB2 H 3.26 0.01 1 92 . 19 PHE HB3 H 3.26 0.01 1 93 . 19 PHE HD1 H 6.95 0.01 1 94 . 19 PHE HD2 H 6.95 0.01 1 95 . 19 PHE HE1 H 7.15 0.01 1 96 . 19 PHE HE2 H 7.15 0.01 1 97 . 20 LYS H H 8.48 0.01 1 98 . 20 LYS HA H 3.78 0.01 1 99 . 20 LYS HB2 H 2.09 0.01 1 100 . 20 LYS HB3 H 2.09 0.01 1 101 . 20 LYS HG2 H 1.42 0.01 1 102 . 20 LYS HG3 H 1.42 0.01 1 103 . 20 LYS HD2 H 1.59 0.01 1 104 . 20 LYS HD3 H 1.59 0.01 1 105 . 20 LYS HE2 H 3.01 0.01 1 106 . 20 LYS HE3 H 3.01 0.01 1 107 . 21 THR H H 8.02 0.01 1 108 . 21 THR HA H 3.83 0.01 1 109 . 21 THR HB H 4.37 0.01 1 110 . 21 THR HG2 H 1.30 0.01 1 111 . 22 TRP H H 8.02 0.01 1 112 . 22 TRP HA H 4.21 0.01 1 113 . 22 TRP HB2 H 3.51 0.01 2 114 . 22 TRP HB3 H 3.34 0.01 2 115 . 22 TRP HD1 H 7.34 0.01 1 116 . 22 TRP HE1 H 10.51 0.01 1 117 . 22 TRP HE3 H 7.28 0.01 1 118 . 22 TRP HZ3 H 6.86 0.01 1 119 . 22 TRP HH2 H 7.05 0.01 1 120 . 23 LEU H H 8.64 0.01 1 121 . 23 LEU HA H 3.52 0.01 1 122 . 23 LEU HB2 H 1.59 0.01 1 123 . 23 LEU HB3 H 1.59 0.01 1 124 . 23 LEU HG H 1.42 0.01 1 125 . 23 LEU HD1 H 0.83 0.01 2 126 . 23 LEU HD2 H 0.76 0.01 2 127 . 24 LYS H H 8.19 0.01 1 128 . 24 LYS HA H 3.73 0.01 1 129 . 24 LYS HB2 H 1.88 0.01 1 130 . 24 LYS HB3 H 1.88 0.01 1 131 . 24 LYS HG2 H 1.49 0.01 2 132 . 24 LYS HG3 H 1.68 0.01 2 133 . 24 LYS HD2 H 1.75 0.01 1 134 . 24 LYS HD3 H 1.75 0.01 1 135 . 24 LYS HE2 H 3.01 0.01 1 136 . 24 LYS HE3 H 3.01 0.01 1 137 . 25 ALA H H 7.45 0.01 1 138 . 25 ALA HA H 4.05 0.01 1 139 . 25 ALA HB H 1.40 0.01 1 140 . 26 LYS H H 7.51 0.01 1 141 . 26 LYS HA H 4.01 0.01 1 142 . 26 LYS HB2 H 1.37 0.01 1 143 . 26 LYS HB3 H 1.37 0.01 1 144 . 26 LYS HG2 H 0.62 0.01 1 145 . 26 LYS HG3 H 0.62 0.01 1 146 . 26 LYS HD2 H 0.87 0.01 1 147 . 26 LYS HD3 H 0.87 0.01 1 148 . 26 LYS HE2 H 2.59 0.01 2 149 . 26 LYS HE3 H 2.48 0.01 2 150 . 27 LEU H H 7.69 0.01 1 151 . 27 LEU HA H 4.29 0.01 1 152 . 27 LEU HB2 H 1.64 0.01 1 153 . 27 LEU HB3 H 1.64 0.01 1 154 . 27 LEU HG H 1.51 0.01 1 155 . 27 LEU HD1 H 0.81 0.01 1 156 . 27 LEU HD2 H 0.81 0.01 1 157 . 28 MET H H 7.80 0.01 1 158 . 28 MET HA H 4.63 0.01 1 159 . 28 MET HB2 H 2.09 0.01 2 160 . 28 MET HB3 H 2.02 0.01 2 161 . 28 MET HG2 H 2.56 0.01 1 162 . 28 MET HG3 H 2.56 0.01 1 163 . 29 PRO HA H 4.41 0.01 1 164 . 29 PRO HB2 H 1.95 0.01 2 165 . 29 PRO HB3 H 1.85 0.01 2 166 . 29 PRO HG2 H 2.30 0.01 1 167 . 29 PRO HG3 H 2.30 0.01 1 168 . 29 PRO HD2 H 3.77 0.01 2 169 . 29 PRO HD3 H 3.65 0.01 2 170 . 30 GLN H H 8.31 0.01 1 171 . 30 GLN HA H 4.32 0.01 1 172 . 30 GLN HB2 H 2.15 0.01 2 173 . 30 GLN HB3 H 2.05 0.01 2 174 . 30 GLN HG2 H 2.34 0.01 1 175 . 30 GLN HG3 H 2.34 0.01 1 176 . 30 GLN HE21 H 7.43 0.01 2 177 . 30 GLN HE22 H 6.67 0.01 2 178 . 31 LEU H H 8.31 0.01 1 179 . 31 LEU HA H 4.45 0.01 1 180 . 31 LEU HB2 H 1.59 0.01 1 181 . 31 LEU HB3 H 1.59 0.01 1 182 . 31 LEU HG H 1.71 0.01 1 183 . 31 LEU HD1 H 0.89 0.01 1 184 . 31 LEU HD2 H 0.84 0.01 1 stop_ save_