data_16166 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone resonance assignments of domain 3 of the non-structural 5A (NS5A) protein from Hepatitis C Virus (Con1) ; _BMRB_accession_number 16166 _BMRB_flat_file_name bmr16166.str _Entry_type original _Submission_date 2009-02-11 _Accession_date 2009-02-11 _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 Hanoulle Xavier . . 2 Verdegem Dries . . 3 Badillo Aurelie . . 4 Wieruszeski Jean-Michel . . 5 Penin Francois . . 6 Lippens Guy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 82 "13C chemical shifts" 257 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-20 original author . stop_ _Original_release_date 2009-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Domain 3 of non structural protein 5A from hepatitis C virus is natively unfolded' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19249289 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hanoulle Xavier . . 2 Verdegem Dries . . 3 Badillo Aurelie . . 4 Wieruszeski Jean-Michel . . 5 Penin Francois . . 6 Lippens Guy . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 634 _Page_last 638 _Year 2009 _Details . loop_ _Keyword HCV NMR NS5A stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HCV (Con1) NS5A-D3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NS5A-D3 $HCV_(Con1)_NS5A-D3 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_HCV_(Con1)_NS5A-D3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HCV_(Con1)_NS5A-D3 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'involved in HCV particles production and assembly' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MRTVVLSESTVSSALAELAT KTFGSSESSAVDSGTATASP DQPSDDGDAGSDVESYSSMP PLEGEPGDPDLSDGSWSTVS EEASEDVVLQHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 THR 4 VAL 5 VAL 6 LEU 7 SER 8 GLU 9 SER 10 THR 11 VAL 12 SER 13 SER 14 ALA 15 LEU 16 ALA 17 GLU 18 LEU 19 ALA 20 THR 21 LYS 22 THR 23 PHE 24 GLY 25 SER 26 SER 27 GLU 28 SER 29 SER 30 ALA 31 VAL 32 ASP 33 SER 34 GLY 35 THR 36 ALA 37 THR 38 ALA 39 SER 40 PRO 41 ASP 42 GLN 43 PRO 44 SER 45 ASP 46 ASP 47 GLY 48 ASP 49 ALA 50 GLY 51 SER 52 ASP 53 VAL 54 GLU 55 SER 56 TYR 57 SER 58 SER 59 MET 60 PRO 61 PRO 62 LEU 63 GLU 64 GLY 65 GLU 66 PRO 67 GLY 68 ASP 69 PRO 70 ASP 71 LEU 72 SER 73 ASP 74 GLY 75 SER 76 TRP 77 SER 78 THR 79 VAL 80 SER 81 GLU 82 GLU 83 ALA 84 SER 85 GLU 86 ASP 87 VAL 88 VAL 89 LEU 90 GLN 91 HIS 92 HIS 93 HIS 94 HIS 95 HIS 96 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-01 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 16800 HCV_(Con1)_NS5A-D3 100.00 96 100.00 100.00 7.98e-58 DBJ BAD73972 "polyprotein, partial [Hepatitis C virus subtype 1b]" 90.63 3010 97.70 98.85 9.12e-44 DBJ BAD73974 "polyprotein, partial [Hepatitis C virus subtype 1b]" 90.63 3010 97.70 98.85 8.44e-44 DBJ BAD73975 "polyprotein, partial [Hepatitis C virus subtype 1b]" 90.63 3010 97.70 98.85 8.52e-44 DBJ BAD73984 "polyprotein, partial [Hepatitis C virus subtype 1b]" 90.63 3010 98.85 100.00 2.30e-44 DBJ BAD73985 "polyprotein, partial [Hepatitis C virus subtype 1b]" 90.63 3010 97.70 98.85 8.45e-43 EMBL CAB46677 "polyprotein [Hepatitis C virus subtype 1b]" 90.63 3010 100.00 100.00 1.28e-44 EMBL CAB46911 "non-structural polyprotein [Hepatitis C virus]" 90.63 2201 100.00 100.00 1.01e-44 EMBL CAB46913 "non-structural polyprotein [Hepatitis C virus]" 90.63 1985 100.00 100.00 9.69e-45 EMBL CAB46915 "non-structural polyprotein [Hepatitis C virus]" 90.63 2201 100.00 100.00 1.01e-44 EMBL CAB46917 "non-structural polyprotein [Hepatitis C virus]" 90.63 1985 100.00 100.00 9.69e-45 GB AAL55821 "polyprotein, partial [Hepatitis C virus]" 90.63 3010 97.70 98.85 9.57e-44 GB AAY23099 "nonstructural protein 5A, partial [Hepatitis C virus]" 91.67 406 98.86 98.86 1.50e-46 GB AAY23100 "nonstructural protein 5A, partial [Hepatitis C virus]" 91.67 406 98.86 98.86 2.46e-46 GB AAY23101 "nonstructural protein 5A, partial [Hepatitis C virus]" 91.67 406 97.73 98.86 9.55e-46 GB AAY23102 "nonstructural protein 5A, partial [Hepatitis C virus]" 91.67 406 98.86 98.86 2.06e-46 SP Q9WMX2 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 90.63 3010 100.00 100.00 1.28e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $HCV_(Con1)_NS5A-D3 'Hepatitis C Virus' 11103 'Hepatitis C Virus' . Hepacivirus 'Hepatitis C Virus' 'Con1 isolate' 'genotype 1b' 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 $HCV_(Con1)_NS5A-D3 'recombinant technology' . Escherichia coli BL21(DE3)Star pT7.7 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 $HCV_(Con1)_NS5A-D3 440 uM '[U-95% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' THP 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_In_house_product_plane_algorithm _Saveframe_category software _Name In_house_product_plane_algorithm _Version . loop_ _Vendor _Address _Electronic_address 'Dries Verdegem & Guy Lippens' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'Published in 2008 (Verdegem et al. (2008) J. Biomol NMR 42:11-21) and made publicly available in the present CCPN release.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCANNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANNH' _Sample_label $sample_1 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' 30 . mM pH 6.4 . pH pressure 1.0 . atm temperature 298 . 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 internal 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 '13C chemical shift error for CO assignments is 0.107' loop_ _Software_label $In_house_product_plane_algorithm stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NS5A-D3 _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 2 2 ARG C C 176.036 0.107 1 2 2 2 ARG CA C 56.300 0.272 1 3 2 2 ARG CB C 30.984 0.272 1 4 3 3 THR H H 8.410 0.007 1 5 3 3 THR C C 174.207 0.107 1 6 3 3 THR CA C 62.200 0.272 1 7 3 3 THR CB C 69.815 0.272 1 8 3 3 THR N N 118.082 0.098 1 9 4 4 VAL H H 8.301 0.007 1 10 4 4 VAL C C 175.661 0.107 1 11 4 4 VAL CA C 62.400 0.272 1 12 4 4 VAL CB C 33.028 0.272 1 13 4 4 VAL N N 124.006 0.098 1 14 5 5 VAL H H 8.342 0.007 1 15 5 5 VAL C C 176.036 0.107 1 16 5 5 VAL CA C 62.300 0.272 1 17 5 5 VAL CB C 32.772 0.272 1 18 5 5 VAL N N 125.671 0.098 1 19 6 6 LEU H H 8.479 0.007 1 20 6 6 LEU C C 177.278 0.107 1 21 6 6 LEU CA C 55.100 0.272 1 22 6 6 LEU CB C 42.480 0.272 1 23 6 6 LEU N N 127.483 0.098 1 24 7 7 SER H H 8.354 0.007 1 25 7 7 SER C C 174.582 0.107 1 26 7 7 SER CA C 58.300 0.272 1 27 7 7 SER CB C 63.939 0.272 1 28 7 7 SER N N 116.911 0.098 1 29 8 8 GLU H H 8.533 0.007 1 30 8 8 GLU C C 176.692 0.107 1 31 8 8 GLU CA C 57.000 0.272 1 32 8 8 GLU CB C 30.217 0.272 1 33 8 8 GLU N N 122.930 0.098 1 34 9 9 SER H H 8.383 0.007 1 35 9 9 SER C C 174.934 0.107 1 36 9 9 SER CA C 58.600 0.272 1 37 9 9 SER CB C 63.808 0.272 1 38 9 9 SER N N 116.420 0.098 1 39 10 10 THR H H 8.220 0.007 1 40 10 10 THR C C 174.817 0.107 1 41 10 10 THR CA C 62.407 0.272 1 42 10 10 THR CB C 69.815 0.272 1 43 10 10 THR N N 116.440 0.098 1 44 11 11 VAL H H 8.151 0.007 1 45 11 11 VAL C C 176.458 0.107 1 46 11 11 VAL CA C 62.789 0.272 1 47 11 11 VAL CB C 32.772 0.272 1 48 11 11 VAL N N 122.339 0.098 1 49 12 12 SER H H 8.424 0.007 1 50 12 12 SER C C 175.168 0.107 1 51 12 12 SER CA C 58.830 0.272 1 52 12 12 SER CB C 63.684 0.272 1 53 12 12 SER N N 119.257 0.098 1 54 13 13 SER H H 8.410 0.007 1 55 13 13 SER C C 174.746 0.107 1 56 13 13 SER CA C 59.085 0.272 1 57 13 13 SER CB C 63.684 0.272 1 58 13 13 SER N N 118.597 0.098 1 59 14 14 ALA H H 8.280 0.007 1 60 14 14 ALA C C 178.357 0.107 1 61 14 14 ALA CA C 53.210 0.272 1 62 14 14 ALA CB C 18.977 0.272 1 63 14 14 ALA N N 125.807 0.098 1 64 15 15 LEU H H 8.043 0.007 1 65 15 15 LEU C C 177.911 0.107 1 66 15 15 LEU CA C 55.764 0.272 1 67 15 15 LEU CB C 42.224 0.272 1 68 15 15 LEU N N 120.372 0.098 1 69 16 16 ALA H H 8.138 0.007 1 70 16 16 ALA C C 178.403 0.107 1 71 16 16 ALA CA C 53.210 0.272 1 72 16 16 ALA CB C 18.977 0.272 1 73 16 16 ALA N N 124.150 0.098 1 74 17 17 GLU H H 8.234 0.007 1 75 17 17 GLU C C 177.067 0.107 1 76 17 17 GLU CA C 57.042 0.272 1 77 17 17 GLU CB C 29.962 0.272 1 78 17 17 GLU N N 119.254 0.098 1 79 18 18 LEU H H 8.078 0.007 1 80 18 18 LEU C C 177.677 0.107 1 81 18 18 LEU CA C 55.764 0.272 1 82 18 18 LEU CB C 42.224 0.272 1 83 18 18 LEU N N 122.176 0.098 1 84 19 19 ALA H H 8.165 0.007 1 85 19 19 ALA C C 178.192 0.107 1 86 19 19 ALA CA C 52.954 0.272 1 87 19 19 ALA CB C 19.232 0.272 1 88 19 19 ALA N N 123.856 0.098 1 89 20 20 THR H H 7.988 0.007 1 90 20 20 THR C C 174.723 0.107 1 91 20 20 THR CA C 62.407 0.272 1 92 20 20 THR CB C 69.815 0.272 1 93 20 20 THR N N 112.767 0.098 1 94 21 21 LYS H H 8.206 0.007 1 95 21 21 LYS C C 176.527 0.107 1 96 21 21 LYS CA C 56.402 0.272 1 97 21 21 LYS CB C 33.027 0.272 1 98 21 21 LYS N N 123.590 0.098 1 99 22 22 THR H H 8.083 0.007 1 100 22 22 THR C C 174.254 0.107 1 101 22 22 THR CA C 61.896 0.272 1 102 22 22 THR CB C 69.942 0.272 1 103 22 22 THR N N 115.218 0.098 1 104 23 23 PHE H H 8.357 0.007 1 105 23 23 PHE C C 176.270 0.107 1 106 23 23 PHE CA C 58.064 0.272 1 107 23 23 PHE CB C 39.670 0.272 1 108 23 23 PHE N N 122.685 0.098 1 109 24 24 GLY H H 8.410 0.007 1 110 24 24 GLY C C 174.113 0.107 1 111 24 24 GLY CA C 45.290 0.272 1 112 24 24 GLY N N 111.007 0.098 1 113 25 25 SER H H 8.247 0.007 1 114 25 25 SER C C 174.910 0.107 1 115 25 25 SER CA C 58.319 0.272 1 116 25 25 SER CB C 64.067 0.272 1 117 25 25 SER N N 115.681 0.098 1 118 26 26 SER H H 8.519 0.007 1 119 26 26 SER C C 174.723 0.107 1 120 26 26 SER CA C 58.574 0.272 1 121 26 26 SER CB C 63.939 0.272 1 122 26 26 SER N N 117.999 0.098 1 123 27 27 GLU H H 8.506 0.007 1 124 27 27 GLU C C 176.739 0.107 1 125 27 27 GLU CA C 56.906 0.272 1 126 27 27 GLU CB C 30.217 0.272 1 127 27 27 GLU N N 122.654 0.098 1 128 28 28 SER H H 8.356 0.007 1 129 28 28 SER C C 174.676 0.107 1 130 28 28 SER CA C 58.575 0.272 1 131 28 28 SER CB C 63.939 0.272 1 132 28 28 SER N N 116.613 0.098 1 133 29 29 SER H H 8.346 0.007 1 134 29 29 SER C C 174.254 0.107 1 135 29 29 SER CA C 58.575 0.272 1 136 29 29 SER CB C 63.939 0.272 1 137 29 29 SER N N 117.962 0.098 1 138 30 30 ALA H H 8.315 0.007 1 139 30 30 ALA C C 177.864 0.107 1 140 30 30 ALA CA C 52.699 0.272 1 141 30 30 ALA CB C 19.232 0.272 1 142 30 30 ALA N N 126.160 0.098 1 143 31 31 VAL H H 8.094 0.007 1 144 31 31 VAL C C 176.059 0.107 1 145 31 31 VAL CA C 62.407 0.272 1 146 31 31 VAL CB C 32.772 0.272 1 147 31 31 VAL N N 118.974 0.098 1 148 32 32 ASP H H 8.403 0.007 1 149 32 32 ASP C C 176.481 0.107 1 150 32 32 ASP CA C 54.232 0.272 1 151 32 32 ASP CB C 41.458 0.272 1 152 32 32 ASP N N 123.960 0.098 1 153 33 33 SER H H 8.383 0.007 1 154 33 33 SER C C 175.379 0.107 1 155 33 33 SER CA C 58.830 0.272 1 156 33 33 SER CB C 63.812 0.272 1 157 33 33 SER N N 117.298 0.098 1 158 34 34 GLY H H 8.556 0.007 1 159 34 34 GLY C C 174.535 0.107 1 160 34 34 GLY CA C 45.546 0.272 1 161 34 34 GLY N N 110.930 0.098 1 162 35 35 THR H H 8.033 0.007 1 163 35 35 THR C C 174.488 0.107 1 164 35 35 THR CA C 61.896 0.272 1 165 35 35 THR CB C 69.815 0.272 1 166 35 35 THR N N 113.822 0.098 1 167 36 36 ALA H H 8.383 0.007 1 168 36 36 ALA C C 177.864 0.107 1 169 36 36 ALA CA C 52.699 0.272 1 170 36 36 ALA CB C 19.232 0.272 1 171 36 36 ALA N N 126.921 0.098 1 172 37 37 THR H H 8.152 0.007 1 173 37 37 THR C C 174.160 0.107 1 174 37 37 THR CA C 61.801 0.272 1 175 37 37 THR CB C 69.944 0.272 1 176 37 37 THR N N 114.019 0.098 1 177 38 38 ALA H H 8.329 0.007 1 178 38 38 ALA C C 177.442 0.107 1 179 38 38 ALA CA C 52.188 0.272 1 180 38 38 ALA CB C 19.488 0.272 1 181 38 38 ALA N N 126.992 0.098 1 182 39 39 SER H H 8.438 0.007 1 183 39 39 SER C C 177.442 0.107 1 184 39 39 SER CA C 56.275 0.272 1 185 39 39 SER CB C 63.428 0.272 1 186 39 39 SER N N 117.198 0.098 1 187 40 40 PRO C C 176.622 0.107 1 188 40 40 PRO CA C 63.428 0.272 1 189 40 40 PRO CB C 32.006 0.272 1 190 41 41 ASP H H 8.342 0.007 1 191 41 41 ASP C C 175.825 0.107 1 192 41 41 ASP CA C 54.487 0.272 1 193 41 41 ASP CB C 41.203 0.272 1 194 41 41 ASP N N 120.040 0.098 1 195 42 42 GLN H H 8.179 0.007 1 196 42 42 GLN C C 173.785 0.107 1 197 42 42 GLN CA C 53.465 0.272 1 198 42 42 GLN CB C 29.195 0.272 1 199 42 42 GLN N N 121.165 0.098 1 200 43 43 PRO C C 176.973 0.107 1 201 43 43 PRO CA C 63.173 0.272 1 202 43 43 PRO CB C 32.261 0.272 1 203 44 44 SER H H 8.527 0.007 1 204 44 44 SER C C 174.395 0.107 1 205 44 44 SER CA C 58.192 0.272 1 206 44 44 SER CB C 64.195 0.272 1 207 44 44 SER N N 116.564 0.098 1 208 45 45 ASP H H 8.465 0.007 1 209 45 45 ASP C C 176.012 0.107 1 210 45 45 ASP CA C 54.360 0.272 1 211 45 45 ASP CB C 41.458 0.272 1 212 45 45 ASP N N 122.858 0.098 1 213 46 46 ASP H H 8.356 0.007 1 214 46 46 ASP C C 177.020 0.107 1 215 46 46 ASP CA C 54.742 0.272 1 216 46 46 ASP CB C 41.203 0.272 1 217 46 46 ASP N N 121.024 0.098 1 218 47 47 GLY H H 8.410 0.007 1 219 47 47 GLY C C 174.160 0.107 1 220 47 47 GLY CA C 45.546 0.272 1 221 47 47 GLY N N 109.320 0.098 1 222 48 48 ASP H H 8.281 0.007 1 223 48 48 ASP C C 176.340 0.107 1 224 48 48 ASP CA C 54.232 0.272 1 225 48 48 ASP CB C 41.458 0.272 1 226 48 48 ASP N N 120.642 0.098 1 227 49 49 ALA H H 8.329 0.007 1 228 49 49 ALA C C 178.521 0.107 1 229 49 49 ALA CA C 52.954 0.272 1 230 49 49 ALA CB C 19.232 0.272 1 231 49 49 ALA N N 124.987 0.098 1 232 50 50 GLY H H 8.451 0.007 1 233 50 50 GLY C C 174.418 0.107 1 234 50 50 GLY CA C 45.290 0.272 1 235 50 50 GLY N N 108.043 0.098 1 236 51 51 SER H H 8.188 0.007 1 237 51 51 SER C C 174.371 0.107 1 238 51 51 SER CA C 58.575 0.272 1 239 51 51 SER CB C 64.195 0.272 1 240 51 51 SER N N 115.361 0.098 1 241 52 52 ASP H H 8.506 0.007 1 242 52 52 ASP C C 176.364 0.107 1 243 52 52 ASP CA C 54.487 0.272 1 244 52 52 ASP CB C 40.947 0.272 1 245 52 52 ASP N N 122.651 0.098 1 246 53 53 VAL H H 8.029 0.007 1 247 53 53 VAL C C 176.504 0.107 1 248 53 53 VAL CA C 62.662 0.272 1 249 53 53 VAL CB C 32.772 0.272 1 250 53 53 VAL N N 119.725 0.098 1 251 54 54 GLU H H 8.465 0.007 1 252 54 54 GLU C C 176.598 0.107 1 253 54 54 GLU CA C 56.786 0.272 1 254 54 54 GLU CB C 30.217 0.272 1 255 54 54 GLU N N 124.141 0.098 1 256 55 55 SER H H 8.247 0.007 1 257 55 55 SER C C 174.348 0.107 1 258 55 55 SER CA C 58.575 0.272 1 259 55 55 SER CB C 63.939 0.272 1 260 55 55 SER N N 116.713 0.098 1 261 56 56 TYR H H 8.192 0.007 1 262 56 56 TYR C C 175.989 0.107 1 263 56 56 TYR CA C 58.064 0.272 1 264 56 56 TYR CB C 38.648 0.272 1 265 56 56 TYR N N 122.269 0.098 1 266 57 57 SER H H 8.195 0.007 1 267 57 57 SER C C 174.254 0.107 1 268 57 57 SER CA C 58.319 0.272 1 269 57 57 SER CB C 63.939 0.272 1 270 57 57 SER N N 117.336 0.098 1 271 58 58 SER H H 8.260 0.007 1 272 58 58 SER C C 174.066 0.107 1 273 58 58 SER CA C 58.319 0.272 1 274 58 58 SER CB C 63.939 0.272 1 275 58 58 SER N N 117.915 0.098 1 276 59 59 MET H H 8.288 0.007 1 277 59 59 MET C C 173.762 0.107 1 278 59 59 MET CA C 53.465 0.272 1 279 59 59 MET CB C 32.517 0.272 1 280 59 59 MET N N 123.371 0.098 1 281 61 61 PRO C C 176.926 0.107 1 282 61 61 PRO CA C 62.917 0.272 1 283 61 61 PRO CB C 32.006 0.272 1 284 62 62 LEU H H 8.370 0.007 1 285 62 62 LEU C C 177.536 0.107 1 286 62 62 LEU CA C 55.253 0.272 1 287 62 62 LEU CB C 42.480 0.272 1 288 62 62 LEU N N 122.880 0.098 1 289 63 63 GLU H H 8.451 0.007 1 290 63 63 GLU C C 176.715 0.107 1 291 63 63 GLU CA C 56.531 0.272 1 292 63 63 GLU CB C 30.473 0.272 1 293 63 63 GLU N N 122.045 0.098 1 294 64 64 GLY H H 8.370 0.007 1 295 64 64 GLY C C 173.598 0.107 1 296 64 64 GLY CA C 45.035 0.272 1 297 64 64 GLY N N 110.151 0.098 1 298 65 65 GLU H H 8.315 0.007 1 299 65 65 GLU C C 174.910 0.107 1 300 65 65 GLU CA C 54.232 0.272 1 301 65 65 GLU CB C 29.706 0.272 1 302 65 65 GLU N N 121.679 0.098 1 303 66 66 PRO C C 177.489 0.107 1 304 66 66 PRO CA C 63.684 0.272 1 305 66 66 PRO CB C 32.006 0.272 1 306 67 67 GLY H H 8.410 0.007 1 307 67 67 GLY C C 173.504 0.107 1 308 67 67 GLY CA C 44.779 0.272 1 309 67 67 GLY N N 109.122 0.098 1 310 68 68 ASP H H 8.240 0.007 1 311 68 68 ASP C C 174.957 0.107 1 312 68 68 ASP CA C 52.443 0.272 1 313 68 68 ASP CB C 40.947 0.272 1 314 68 68 ASP N N 121.866 0.098 1 315 69 69 PRO C C 176.786 0.107 1 316 69 69 PRO CA C 63.428 0.272 1 317 69 69 PRO CB C 32.133 0.272 1 318 70 70 ASP H H 8.465 0.007 1 319 70 70 ASP C C 176.551 0.107 1 320 70 70 ASP CA C 54.487 0.272 1 321 70 70 ASP CB C 40.947 0.272 1 322 70 70 ASP N N 119.942 0.098 1 323 71 71 LEU H H 8.124 0.007 1 324 71 71 LEU C C 177.724 0.107 1 325 71 71 LEU CA C 54.998 0.272 1 326 71 71 LEU CB C 41.969 0.272 1 327 71 71 LEU N N 123.124 0.098 1 328 72 72 SER H H 8.329 0.007 1 329 72 72 SER C C 174.582 0.107 1 330 72 72 SER CA C 58.830 0.272 1 331 72 72 SER CB C 63.939 0.272 1 332 72 72 SER N N 116.565 0.098 1 333 73 73 ASP H H 8.315 0.007 1 334 73 73 ASP C C 176.973 0.107 1 335 73 73 ASP CA C 54.487 0.272 1 336 73 73 ASP CB C 41.203 0.272 1 337 73 73 ASP N N 122.291 0.098 1 338 74 74 GLY H H 8.315 0.007 1 339 74 74 GLY C C 174.676 0.107 1 340 74 74 GLY CA C 45.546 0.272 1 341 74 74 GLY N N 109.441 0.098 1 342 75 75 SER H H 8.220 0.007 1 343 75 75 SER C C 174.464 0.107 1 344 75 75 SER CA C 59.085 0.272 1 345 75 75 SER CB C 63.684 0.272 1 346 75 75 SER N N 115.925 0.098 1 347 76 76 TRP H H 8.056 0.007 1 348 76 76 TRP C C 176.223 0.107 1 349 76 76 TRP CA C 57.297 0.272 1 350 76 76 TRP CB C 29.451 0.272 1 351 76 76 TRP N N 122.359 0.098 1 352 77 77 SER H H 8.036 0.007 1 353 77 77 SER C C 174.488 0.107 1 354 77 77 SER CA C 58.319 0.272 1 355 77 77 SER CB C 63.939 0.272 1 356 77 77 SER N N 117.022 0.098 1 357 78 78 THR H H 8.124 0.007 1 358 78 78 THR C C 174.535 0.107 1 359 78 78 THR CA C 61.896 0.272 1 360 78 78 THR CB C 69.815 0.272 1 361 78 78 THR N N 116.154 0.098 1 362 79 79 VAL H H 8.124 0.007 1 363 79 79 VAL C C 176.129 0.107 1 364 79 79 VAL CA C 62.407 0.272 1 365 79 79 VAL CB C 32.772 0.272 1 366 79 79 VAL N N 122.413 0.098 1 367 80 80 SER H H 8.410 0.007 1 368 80 80 SER C C 174.606 0.107 1 369 80 80 SER CA C 58.319 0.272 1 370 80 80 SER CB C 63.939 0.272 1 371 80 80 SER N N 119.942 0.098 1 372 81 81 GLU H H 8.547 0.007 1 373 81 81 GLU C C 176.223 0.107 1 374 81 81 GLU CA C 56.786 0.272 1 375 81 81 GLU CB C 30.345 0.272 1 376 81 81 GLU N N 123.467 0.098 1 377 82 82 GLU H H 8.424 0.007 1 378 82 82 GLU C C 176.223 0.107 1 379 82 82 GLU CA C 56.531 0.272 1 380 82 82 GLU CB C 30.217 0.272 1 381 82 82 GLU N N 121.826 0.098 1 382 83 83 ALA H H 8.356 0.007 1 383 83 83 ALA C C 177.701 0.107 1 384 83 83 ALA CA C 52.443 0.272 1 385 83 83 ALA CB C 19.232 0.272 1 386 83 83 ALA N N 125.501 0.098 1 387 84 84 SER H H 8.288 0.007 1 388 84 84 SER C C 174.863 0.107 1 389 84 84 SER CA C 58.575 0.272 1 390 84 84 SER CB C 63.939 0.272 1 391 84 84 SER N N 115.634 0.098 1 392 85 85 GLU H H 8.547 0.007 1 393 85 85 GLU C C 176.317 0.107 1 394 85 85 GLU CA C 57.042 0.272 1 395 85 85 GLU CB C 30.217 0.272 1 396 85 85 GLU N N 122.685 0.098 1 397 86 86 ASP H H 8.356 0.007 1 398 86 86 ASP C C 176.551 0.107 1 399 86 86 ASP CA C 54.742 0.272 1 400 86 86 ASP CB C 41.203 0.272 1 401 86 86 ASP N N 120.919 0.098 1 402 87 87 VAL H H 7.974 0.007 1 403 87 87 VAL C C 176.504 0.107 1 404 87 87 VAL CA C 63.173 0.272 1 405 87 87 VAL CB C 32.517 0.272 1 406 87 87 VAL N N 120.432 0.098 1 407 88 88 VAL H H 8.138 0.007 1 408 88 88 VAL C C 176.598 0.107 1 409 88 88 VAL CA C 63.173 0.272 1 410 88 88 VAL CB C 32.261 0.272 1 411 88 88 VAL N N 123.493 0.098 1 412 89 89 LEU H H 8.198 0.007 1 413 89 89 LEU C C 177.442 0.107 1 414 89 89 LEU CA C 55.509 0.272 1 415 89 89 LEU CB C 42.224 0.272 1 416 89 89 LEU N N 124.759 0.098 1 417 90 90 GLN H H 8.193 0.007 1 418 90 90 GLN C C 175.895 0.107 1 419 90 90 GLN CA C 56.020 0.272 1 420 90 90 GLN CB C 29.195 0.272 1 421 90 90 GLN N N 119.962 0.098 1 stop_ save_