data_26927 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine ; _BMRB_accession_number 26927 _BMRB_flat_file_name bmr26927.str _Entry_type original _Submission_date 2016-10-28 _Accession_date 2016-10-28 _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 Li Yan . . 2 Zhang Zhenzhen . . 3 Loh 'Ying Ru' . . 4 Phoo 'Wint Wint' . . 5 Kang CongBao . . 6 Luo Dahai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 221 "13C chemical shifts" 663 "15N chemical shifts" 221 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-26 update BMRB 'update entry citation' 2016-12-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26873 'linked NS2B-NS3 Protease of Zika Virus after self-cleavage' 26928 'unlinked NS2B-NS3 Protease of Zika Virus in complex without acetyl-lysine-arginine' 26933 'unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine aldehyde' stop_ _Original_release_date 2016-10-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Crystal structure of unlinked NS2B-NS3 protease from Zika virus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27940580 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Zhenzhen . . 2 Li Yan . . 3 Loh 'Ying Ru' . . 4 Phoo 'Wint Wint' . . 5 Hung Alvin W. . 6 Kang CongBao . . 7 Luo Dahai . . stop_ _Journal_abbreviation Science _Journal_volume 354 _Journal_issue 6319 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1597 _Page_last 1600 _Year 2016 _Details . loop_ _Keyword 'Zika virus' 'closed conformation' protease structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS2B-NS3 Protease from Zika Virus in complex with acetyl-lysine-arginine' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS2B fragment (45-96)' $NS2B_fragment 'NS3 fragment (1-177)' $NS3_fragment acetyl-lysine-arginine $acetyl-lysine-arginine stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'This is a construct containing 45-96 of NS2B and 1-177 of NS3 of Zika virus in complex with acetyl-lysine-arginine.' save_ ######################## # Monomeric polymers # ######################## save_NS2B_fragment _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS2B_fragment _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MTGKSVDMYIERAGDITWEK DAEVTGNSPRLDVALDESGD FSLVEEDGPPMRE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . GLY 3 . SER 4 . SER 5 . HIS 6 . HIS 7 . HIS 8 . HIS 9 . HIS 10 . HIS 11 . SER 12 . SER 13 . GLY 14 . LEU 15 . VAL 16 . PRO 17 . ARG 18 . GLY 19 . SER 20 . HIS 21 . MET 22 45 THR 23 46 GLY 24 47 LYS 25 48 SER 26 49 VAL 27 50 ASP 28 51 MET 29 52 TYR 30 53 ILE 31 54 GLU 32 55 ARG 33 56 ALA 34 57 GLY 35 58 ASP 36 59 ILE 37 60 THR 38 61 TRP 39 62 GLU 40 63 LYS 41 64 ASP 42 65 ALA 43 66 GLU 44 67 VAL 45 68 THR 46 69 GLY 47 70 ASN 48 71 SER 49 72 PRO 50 73 ARG 51 74 LEU 52 75 ASP 53 76 VAL 54 77 ALA 55 78 LEU 56 79 ASP 57 80 GLU 58 81 SER 59 82 GLY 60 83 ASP 61 84 PHE 62 85 SER 63 86 LEU 64 87 VAL 65 88 GLU 66 89 GLU 67 90 ASP 68 91 GLY 69 92 PRO 70 93 PRO 71 94 MET 72 95 ARG 73 96 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_NS3_fragment _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS3_fragment _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 177 _Mol_residue_sequence ; SGALWDVPAPKEVKKGETTD GVYRVMTRRLLGSTQVGVGV MQEGVFHTMWHVTKGAALRS GEGRLDPYWGDVKQDLVSYC GPWKLDAAWDGLSEVQLLAV PPGERAKNIQTLPGIFKTKD GDIGAVALDYPAGTSGSPIL DKCGRVIGLYGNGVVIKNGS YVSAITQGKREEETPVE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 GLY 3 3 ALA 4 4 LEU 5 5 TRP 6 6 ASP 7 7 VAL 8 8 PRO 9 9 ALA 10 10 PRO 11 11 LYS 12 12 GLU 13 13 VAL 14 14 LYS 15 15 LYS 16 16 GLY 17 17 GLU 18 18 THR 19 19 THR 20 20 ASP 21 21 GLY 22 22 VAL 23 23 TYR 24 24 ARG 25 25 VAL 26 26 MET 27 27 THR 28 28 ARG 29 29 ARG 30 30 LEU 31 31 LEU 32 32 GLY 33 33 SER 34 34 THR 35 35 GLN 36 36 VAL 37 37 GLY 38 38 VAL 39 39 GLY 40 40 VAL 41 41 MET 42 42 GLN 43 43 GLU 44 44 GLY 45 45 VAL 46 46 PHE 47 47 HIS 48 48 THR 49 49 MET 50 50 TRP 51 51 HIS 52 52 VAL 53 53 THR 54 54 LYS 55 55 GLY 56 56 ALA 57 57 ALA 58 58 LEU 59 59 ARG 60 60 SER 61 61 GLY 62 62 GLU 63 63 GLY 64 64 ARG 65 65 LEU 66 66 ASP 67 67 PRO 68 68 TYR 69 69 TRP 70 70 GLY 71 71 ASP 72 72 VAL 73 73 LYS 74 74 GLN 75 75 ASP 76 76 LEU 77 77 VAL 78 78 SER 79 79 TYR 80 80 CYS 81 81 GLY 82 82 PRO 83 83 TRP 84 84 LYS 85 85 LEU 86 86 ASP 87 87 ALA 88 88 ALA 89 89 TRP 90 90 ASP 91 91 GLY 92 92 LEU 93 93 SER 94 94 GLU 95 95 VAL 96 96 GLN 97 97 LEU 98 98 LEU 99 99 ALA 100 100 VAL 101 101 PRO 102 102 PRO 103 103 GLY 104 104 GLU 105 105 ARG 106 106 ALA 107 107 LYS 108 108 ASN 109 109 ILE 110 110 GLN 111 111 THR 112 112 LEU 113 113 PRO 114 114 GLY 115 115 ILE 116 116 PHE 117 117 LYS 118 118 THR 119 119 LYS 120 120 ASP 121 121 GLY 122 122 ASP 123 123 ILE 124 124 GLY 125 125 ALA 126 126 VAL 127 127 ALA 128 128 LEU 129 129 ASP 130 130 TYR 131 131 PRO 132 132 ALA 133 133 GLY 134 134 THR 135 135 SER 136 136 GLY 137 137 SER 138 138 PRO 139 139 ILE 140 140 LEU 141 141 ASP 142 142 LYS 143 143 CYS 144 144 GLY 145 145 ARG 146 146 VAL 147 147 ILE 148 148 GLY 149 149 LEU 150 150 TYR 151 151 GLY 152 152 ASN 153 153 GLY 154 154 VAL 155 155 VAL 156 156 ILE 157 157 LYS 158 158 ASN 159 159 GLY 160 160 SER 161 161 TYR 162 162 VAL 163 163 SER 164 164 ALA 165 165 ILE 166 166 THR 167 167 GLN 168 168 GLY 169 169 LYS 170 170 ARG 171 171 GLU 172 172 GLU 173 173 GLU 174 174 THR 175 175 PRO 176 176 VAL 177 177 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_acetyl-lysine-arginine _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common acetyl-lysine-arginine _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 3 _Mol_residue_sequence ; XKR ; loop_ _Residue_seq_code _Residue_label 1 ACE 2 LYS 3 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'ACETYL GROUP' _BMRB_code ACE _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NS2B_fragment 'Zika virus' 64320 Viruses . Zika virus $NS3_fragment 'Zika virus' 64320 Viruses . Zika virus 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 $NS2B_fragment 'recombinant technology' . Escherichia coli . pET15b $NS3_fragment 'recombinant technology' . Escherichia coli . pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM HEPES, pH7.3, 150 mM NaCl, 1 mM DTT.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS2B_fragment 0.8 mM '[U-13C; U-15N; U-2H]' $NS3_fragment 0.8 mM '[U-13C; U-15N; U-2H]' HEPES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 170 . mM pH 7.3 . pH pressure 1 . 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 DSS C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' 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 'NS2B fragment (45-96)' _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 52 29 TYR C C 175.508 0.300 1 2 52 29 TYR CA C 57.690 0.300 1 3 53 30 ILE H H 7.814 0.020 1 4 53 30 ILE CA C 60.470 0.300 1 5 53 30 ILE CB C 37.857 0.300 1 6 53 30 ILE N N 123.418 0.300 1 7 54 31 GLU H H 8.388 0.020 1 8 54 31 GLU CA C 56.188 0.300 1 9 54 31 GLU CB C 29.218 0.300 1 10 54 31 GLU N N 124.673 0.300 1 11 56 33 ALA C C 178.270 0.300 1 12 56 33 ALA CA C 52.446 0.300 1 13 56 33 ALA CB C 18.276 0.300 1 14 57 34 GLY H H 8.376 0.020 1 15 57 34 GLY CA C 44.818 0.300 1 16 57 34 GLY N N 107.967 0.300 1 17 58 35 ASP H H 7.990 0.020 1 18 58 35 ASP CA C 54.886 0.300 1 19 58 35 ASP CB C 41.524 0.300 1 20 58 35 ASP N N 121.024 0.300 1 21 59 36 ILE H H 8.094 0.020 1 22 59 36 ILE CA C 60.794 0.300 1 23 59 36 ILE CB C 37.824 0.300 1 24 59 36 ILE N N 120.827 0.300 1 25 60 37 THR H H 8.125 0.020 1 26 60 37 THR C C 174.138 0.300 1 27 60 37 THR CA C 61.405 0.300 1 28 60 37 THR CB C 69.216 0.300 1 29 60 37 THR N N 117.656 0.300 1 30 61 38 TRP H H 8.063 0.020 1 31 61 38 TRP C C 176.031 0.300 1 32 61 38 TRP CA C 56.824 0.300 1 33 61 38 TRP CB C 29.257 0.300 1 34 61 38 TRP N N 123.307 0.300 1 35 62 39 GLU H H 8.219 0.020 1 36 62 39 GLU C C 176.148 0.300 1 37 62 39 GLU CA C 55.908 0.300 1 38 62 39 GLU CB C 29.327 0.300 1 39 62 39 GLU N N 122.625 0.300 1 40 63 40 LYS H H 8.118 0.020 1 41 63 40 LYS CA C 56.138 0.300 1 42 63 40 LYS CB C 32.399 0.300 1 43 63 40 LYS N N 121.797 0.300 1 44 64 41 ASP H H 8.345 0.020 1 45 64 41 ASP CA C 54.291 0.300 1 46 64 41 ASP CB C 40.485 0.300 1 47 64 41 ASP N N 121.034 0.300 1 48 65 42 ALA H H 8.123 0.020 1 49 65 42 ALA C C 177.846 0.300 1 50 65 42 ALA CA C 52.220 0.300 1 51 65 42 ALA CB C 18.475 0.300 1 52 65 42 ALA N N 123.589 0.300 1 53 66 43 GLU H H 8.341 0.020 1 54 66 43 GLU CA C 56.167 0.300 1 55 66 43 GLU CB C 29.094 0.300 1 56 66 43 GLU N N 119.757 0.300 1 57 67 44 VAL H H 8.169 0.020 1 58 67 44 VAL C C 176.665 0.300 1 59 67 44 VAL CA C 62.040 0.300 1 60 67 44 VAL CB C 32.174 0.300 1 61 67 44 VAL N N 120.991 0.300 1 62 68 45 THR H H 8.235 0.020 1 63 68 45 THR C C 175.300 0.300 1 64 68 45 THR CA C 61.631 0.300 1 65 68 45 THR CB C 69.313 0.300 1 66 68 45 THR N N 117.141 0.300 1 67 69 46 GLY H H 8.363 0.020 1 68 69 46 GLY CA C 44.979 0.300 1 69 69 46 GLY N N 110.634 0.300 1 70 73 50 ARG C C 176.169 0.300 1 71 73 50 ARG CA C 55.461 0.300 1 72 74 51 LEU H H 8.381 0.020 1 73 74 51 LEU CA C 54.500 0.300 1 74 74 51 LEU CB C 41.414 0.300 1 75 74 51 LEU N N 123.850 0.300 1 76 75 52 ASP H H 8.437 0.020 1 77 75 52 ASP C C 175.883 0.300 1 78 75 52 ASP CA C 53.809 0.300 1 79 75 52 ASP CB C 40.662 0.300 1 80 75 52 ASP N N 121.233 0.300 1 81 76 53 VAL H H 7.892 0.020 1 82 76 53 VAL C C 175.606 0.300 1 83 76 53 VAL CA C 61.389 0.300 1 84 76 53 VAL CB C 32.330 0.300 1 85 76 53 VAL N N 119.288 0.300 1 86 77 54 ALA H H 8.373 0.020 1 87 77 54 ALA C C 177.547 0.300 1 88 77 54 ALA CA C 51.803 0.300 1 89 77 54 ALA CB C 18.349 0.300 1 90 77 54 ALA N N 127.393 0.300 1 91 78 55 LEU H H 8.231 0.020 1 92 78 55 LEU C C 176.880 0.300 1 93 78 55 LEU CA C 54.633 0.300 1 94 78 55 LEU CB C 41.635 0.300 1 95 78 55 LEU N N 121.699 0.300 1 96 79 56 ASP H H 8.331 0.020 1 97 79 56 ASP CA C 53.762 0.300 1 98 79 56 ASP CB C 40.537 0.300 1 99 79 56 ASP N N 120.815 0.300 1 100 80 57 GLU C C 176.796 0.300 1 101 80 57 GLU CA C 56.074 0.300 1 102 80 57 GLU CB C 28.994 0.300 1 103 81 58 SER H H 8.410 0.020 1 104 81 58 SER C C 175.202 0.300 1 105 81 58 SER CA C 58.672 0.300 1 106 81 58 SER CB C 63.580 0.300 1 107 81 58 SER N N 116.460 0.300 1 108 82 59 GLY H H 8.307 0.020 1 109 82 59 GLY C C 173.598 0.300 1 110 82 59 GLY CA C 44.836 0.300 1 111 82 59 GLY N N 110.422 0.300 1 112 83 60 ASP H H 8.133 0.020 1 113 83 60 ASP C C 176.049 0.300 1 114 83 60 ASP CA C 53.813 0.300 1 115 83 60 ASP CB C 40.535 0.300 1 116 83 60 ASP N N 120.229 0.300 1 117 84 61 PHE H H 8.211 0.020 1 118 84 61 PHE C C 175.716 0.300 1 119 84 61 PHE CA C 57.260 0.300 1 120 84 61 PHE CB C 38.742 0.300 1 121 84 61 PHE N N 120.891 0.300 1 122 85 62 SER H H 8.228 0.020 1 123 85 62 SER C C 174.141 0.300 1 124 85 62 SER CA C 58.047 0.300 1 125 85 62 SER CB C 63.504 0.300 1 126 85 62 SER N N 117.345 0.300 1 127 86 63 LEU H H 8.213 0.020 1 128 86 63 LEU C C 177.112 0.300 1 129 86 63 LEU CA C 54.701 0.300 1 130 86 63 LEU CB C 41.341 0.300 1 131 86 63 LEU N N 124.095 0.300 1 132 87 64 VAL H H 8.093 0.020 1 133 87 64 VAL C C 176.038 0.300 1 134 87 64 VAL CA C 61.769 0.300 1 135 87 64 VAL CB C 32.272 0.300 1 136 87 64 VAL N N 121.317 0.300 1 137 88 65 GLU H H 8.508 0.020 1 138 88 65 GLU C C 176.360 0.300 1 139 88 65 GLU CA C 55.873 0.300 1 140 88 65 GLU CB C 29.419 0.300 1 141 88 65 GLU N N 125.169 0.300 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' 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 'NS2B fragment (45-96)' _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 1 248 25 SER C C 174.182 0.300 1 2 248 25 SER CA C 57.948 0.300 1 3 248 25 SER CB C 63.770 0.300 1 4 249 26 VAL H H 8.297 0.020 1 5 249 26 VAL C C 175.260 0.300 1 6 249 26 VAL CA C 61.520 0.300 1 7 249 26 VAL CB C 32.297 0.300 1 8 249 26 VAL N N 122.294 0.300 1 9 250 27 ASP H H 8.562 0.020 1 10 250 27 ASP C C 175.088 0.300 1 11 250 27 ASP CA C 53.944 0.300 1 12 250 27 ASP CB C 41.180 0.300 1 13 250 27 ASP N N 125.720 0.300 1 14 251 28 MET H H 8.282 0.020 1 15 251 28 MET C C 175.215 0.300 1 16 251 28 MET CA C 54.586 0.300 1 17 251 28 MET CB C 35.377 0.300 1 18 251 28 MET N N 122.082 0.300 1 19 252 29 TYR H H 9.076 0.020 1 20 252 29 TYR C C 172.614 0.300 1 21 252 29 TYR CA C 54.582 0.300 1 22 252 29 TYR CB C 40.920 0.300 1 23 252 29 TYR N N 120.112 0.300 1 24 253 30 ILE H H 8.058 0.020 1 25 253 30 ILE C C 175.871 0.300 1 26 253 30 ILE CA C 57.653 0.300 1 27 253 30 ILE CB C 40.116 0.300 1 28 253 30 ILE N N 109.730 0.300 1 29 254 31 GLU H H 8.646 0.020 1 30 254 31 GLU C C 174.941 0.300 1 31 254 31 GLU CA C 54.305 0.300 1 32 254 31 GLU CB C 33.524 0.300 1 33 254 31 GLU N N 121.240 0.300 1 34 255 32 ARG H H 9.326 0.020 1 35 255 32 ARG C C 175.749 0.300 1 36 255 32 ARG CA C 58.705 0.300 1 37 255 32 ARG CB C 28.739 0.300 1 38 255 32 ARG N N 130.007 0.300 1 39 256 33 ALA H H 9.638 0.020 1 40 256 33 ALA C C 176.807 0.300 1 41 256 33 ALA CA C 51.109 0.300 1 42 256 33 ALA CB C 19.872 0.300 1 43 256 33 ALA N N 128.279 0.300 1 44 257 34 GLY H H 7.158 0.020 1 45 257 34 GLY C C 171.208 0.300 1 46 257 34 GLY CA C 44.803 0.300 1 47 257 34 GLY N N 103.452 0.300 1 48 258 35 ASP H H 8.317 0.020 1 49 258 35 ASP C C 175.477 0.300 1 50 258 35 ASP CA C 53.068 0.300 1 51 258 35 ASP CB C 41.834 0.300 1 52 258 35 ASP N N 118.248 0.300 1 53 259 36 ILE H H 8.764 0.020 1 54 259 36 ILE C C 174.960 0.300 1 55 259 36 ILE CA C 61.350 0.300 1 56 259 36 ILE CB C 36.474 0.300 1 57 259 36 ILE N N 119.640 0.300 1 58 260 37 THR H H 6.925 0.020 1 59 260 37 THR C C 171.692 0.300 1 60 260 37 THR CA C 59.087 0.300 1 61 260 37 THR CB C 70.988 0.300 1 62 260 37 THR N N 118.337 0.300 1 63 261 38 TRP H H 8.608 0.020 1 64 261 38 TRP C C 175.631 0.300 1 65 261 38 TRP CA C 56.485 0.300 1 66 261 38 TRP CB C 28.672 0.300 1 67 261 38 TRP N N 123.538 0.300 1 68 262 39 GLU H H 8.567 0.020 1 69 262 39 GLU C C 176.295 0.300 1 70 262 39 GLU CA C 53.953 0.300 1 71 262 39 GLU CB C 30.377 0.300 1 72 262 39 GLU N N 130.769 0.300 1 73 263 40 LYS H H 8.897 0.020 1 74 263 40 LYS C C 176.653 0.300 1 75 263 40 LYS CA C 58.116 0.300 1 76 263 40 LYS CB C 31.093 0.300 1 77 263 40 LYS N N 127.761 0.300 1 78 264 41 ASP H H 8.674 0.020 1 79 264 41 ASP C C 174.923 0.300 1 80 264 41 ASP CA C 53.728 0.300 1 81 264 41 ASP CB C 39.003 0.300 1 82 264 41 ASP N N 118.472 0.300 1 83 265 42 ALA H H 7.049 0.020 1 84 265 42 ALA C C 177.087 0.300 1 85 265 42 ALA CA C 51.869 0.300 1 86 265 42 ALA CB C 18.975 0.300 1 87 265 42 ALA N N 121.536 0.300 1 88 266 43 GLU H H 8.288 0.020 1 89 266 43 GLU C C 174.206 0.300 1 90 266 43 GLU CA C 56.026 0.300 1 91 266 43 GLU CB C 29.917 0.300 1 92 266 43 GLU N N 121.446 0.300 1 93 267 44 VAL H H 8.207 0.020 1 94 267 44 VAL C C 176.901 0.300 1 95 267 44 VAL CA C 60.280 0.300 1 96 267 44 VAL CB C 32.307 0.300 1 97 267 44 VAL N N 123.742 0.300 1 98 268 45 THR H H 8.856 0.020 1 99 268 45 THR C C 173.313 0.300 1 100 268 45 THR CA C 60.452 0.300 1 101 268 45 THR CB C 69.410 0.300 1 102 268 45 THR N N 121.915 0.300 1 103 269 46 GLY H H 8.176 0.020 1 104 269 46 GLY C C 173.408 0.300 1 105 269 46 GLY CA C 43.855 0.300 1 106 269 46 GLY N N 110.198 0.300 1 107 270 47 ASN H H 7.859 0.020 1 108 270 47 ASN C C 172.864 0.300 1 109 270 47 ASN CA C 51.853 0.300 1 110 270 47 ASN CB C 38.773 0.300 1 111 270 47 ASN N N 119.153 0.300 1 112 271 48 SER H H 8.226 0.020 1 113 271 48 SER CA C 54.464 0.300 1 114 271 48 SER CB C 62.547 0.300 1 115 271 48 SER N N 113.089 0.300 1 116 272 49 PRO C C 175.227 0.300 1 117 272 49 PRO CA C 62.169 0.300 1 118 272 49 PRO CB C 31.948 0.300 1 119 273 50 ARG H H 8.419 0.020 1 120 273 50 ARG C C 175.295 0.300 1 121 273 50 ARG CA C 55.124 0.300 1 122 273 50 ARG CB C 29.825 0.300 1 123 273 50 ARG N N 120.186 0.300 1 124 274 51 LEU H H 8.486 0.020 1 125 274 51 LEU C C 174.743 0.300 1 126 274 51 LEU CA C 52.963 0.300 1 127 274 51 LEU CB C 45.270 0.300 1 128 274 51 LEU N N 124.396 0.300 1 129 275 52 ASP H H 8.635 0.020 1 130 275 52 ASP C C 175.608 0.300 1 131 275 52 ASP CA C 54.066 0.300 1 132 275 52 ASP CB C 40.651 0.300 1 133 275 52 ASP N N 123.828 0.300 1 134 276 53 VAL H H 8.216 0.020 1 135 276 53 VAL C C 173.848 0.300 1 136 276 53 VAL CA C 58.637 0.300 1 137 276 53 VAL CB C 36.376 0.300 1 138 276 53 VAL N N 117.097 0.300 1 139 277 54 ALA H H 8.961 0.020 1 140 277 54 ALA C C 174.704 0.300 1 141 277 54 ALA CA C 50.107 0.300 1 142 277 54 ALA CB C 20.905 0.300 1 143 277 54 ALA N N 123.276 0.300 1 144 278 55 LEU H H 8.499 0.020 1 145 278 55 LEU CA C 53.101 0.300 1 146 278 55 LEU CB C 43.743 0.300 1 147 278 55 LEU N N 124.176 0.300 1 148 279 56 ASP C C 177.067 0.300 1 149 280 57 GLU H H 8.233 0.020 1 150 280 57 GLU C C 177.085 0.300 1 151 280 57 GLU CA C 55.454 0.300 1 152 280 57 GLU N N 114.198 0.300 1 153 281 58 SER H H 8.089 0.020 1 154 281 58 SER C C 173.800 0.300 1 155 281 58 SER CA C 57.605 0.300 1 156 281 58 SER CB C 63.201 0.300 1 157 281 58 SER N N 113.978 0.300 1 158 282 59 GLY H H 8.002 0.020 1 159 282 59 GLY C C 172.611 0.300 1 160 282 59 GLY CA C 46.513 0.300 1 161 282 59 GLY N N 108.909 0.300 1 162 283 60 ASP H H 7.787 0.020 1 163 283 60 ASP C C 176.424 0.300 1 164 283 60 ASP CA C 53.003 0.300 1 165 283 60 ASP CB C 40.513 0.300 1 166 283 60 ASP N N 117.593 0.300 1 167 284 61 PHE H H 9.440 0.020 1 168 284 61 PHE C C 176.548 0.300 1 169 284 61 PHE CA C 57.213 0.300 1 170 284 61 PHE N N 124.302 0.300 1 171 285 62 SER H H 9.092 0.020 1 172 285 62 SER C C 173.345 0.300 1 173 285 62 SER CA C 56.451 0.300 1 174 285 62 SER CB C 65.454 0.300 1 175 285 62 SER N N 113.105 0.300 1 176 286 63 LEU H H 8.769 0.020 1 177 286 63 LEU C C 177.397 0.300 1 178 286 63 LEU CA C 54.748 0.300 1 179 286 63 LEU CB C 41.432 0.300 1 180 286 63 LEU N N 121.899 0.300 1 181 287 64 VAL H H 8.015 0.020 1 182 287 64 VAL C C 175.889 0.300 1 183 287 64 VAL CA C 62.203 0.300 1 184 287 64 VAL CB C 31.897 0.300 1 185 287 64 VAL N N 123.824 0.300 1 186 288 65 GLU H H 8.526 0.020 1 187 288 65 GLU CA C 55.453 0.300 1 188 288 65 GLU CB C 30.023 0.300 1 189 288 65 GLU N N 125.397 0.300 1 190 289 66 GLU C C 176.125 0.300 1 191 289 66 GLU CA C 56.015 0.300 1 192 289 66 GLU CB C 29.496 0.300 1 193 290 67 ASP H H 8.524 0.020 1 194 290 67 ASP C C 176.316 0.300 1 195 290 67 ASP CA C 53.965 0.300 1 196 290 67 ASP CB C 40.689 0.300 1 197 290 67 ASP N N 121.845 0.300 1 198 291 68 GLY H H 8.139 0.020 1 199 291 68 GLY CA C 44.044 0.300 1 200 291 68 GLY N N 108.986 0.300 1 201 293 70 PRO C C 177.022 0.300 1 202 293 70 PRO CA C 62.453 0.300 1 203 293 70 PRO CB C 30.922 0.300 1 204 294 71 MET H H 8.458 0.020 1 205 294 71 MET C C 176.056 0.300 1 206 294 71 MET CA C 54.938 0.300 1 207 294 71 MET CB C 31.945 0.300 1 208 294 71 MET N N 120.662 0.300 1 209 295 72 ARG H H 8.363 0.020 1 210 295 72 ARG C C 175.204 0.300 1 211 295 72 ARG CA C 55.419 0.300 1 212 295 72 ARG CB C 29.908 0.300 1 213 295 72 ARG N N 122.974 0.300 1 214 296 73 GLU H H 8.085 0.020 1 215 296 73 GLU CA C 57.602 0.300 1 216 296 73 GLU CB C 30.157 0.300 1 217 296 73 GLU N N 127.306 0.300 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' 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 'NS3 fragment (1-177)' _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 GLY CA C 44.731 0.300 1 2 3 3 ALA H H 8.125 0.020 1 3 3 3 ALA C C 177.793 0.300 1 4 3 3 ALA CA C 51.854 0.300 1 5 3 3 ALA CB C 18.560 0.300 1 6 3 3 ALA N N 123.703 0.300 1 7 4 4 LEU H H 8.030 0.020 1 8 4 4 LEU C C 176.937 0.300 1 9 4 4 LEU CA C 54.906 0.300 1 10 4 4 LEU CB C 41.230 0.300 1 11 4 4 LEU N N 120.529 0.300 1 12 5 5 TRP H H 7.606 0.020 1 13 5 5 TRP C C 175.564 0.300 1 14 5 5 TRP CA C 56.246 0.300 1 15 5 5 TRP CB C 29.011 0.300 1 16 5 5 TRP N N 118.653 0.300 1 17 6 6 ASP H H 8.109 0.020 1 18 6 6 ASP C C 175.474 0.300 1 19 6 6 ASP CA C 53.583 0.300 1 20 6 6 ASP CB C 40.691 0.300 1 21 6 6 ASP N N 121.481 0.300 1 22 7 7 VAL H H 7.921 0.020 1 23 7 7 VAL CA C 59.390 0.300 1 24 7 7 VAL CB C 32.162 0.300 1 25 7 7 VAL N N 121.225 0.300 1 26 8 8 PRO C C 176.268 0.300 1 27 8 8 PRO CA C 62.426 0.300 1 28 8 8 PRO CB C 31.229 0.300 1 29 9 9 ALA H H 8.345 0.020 1 30 9 9 ALA CA C 49.946 0.300 1 31 9 9 ALA CB C 17.092 0.300 1 32 9 9 ALA N N 125.286 0.300 1 33 12 12 GLU C C 176.204 0.300 1 34 12 12 GLU CA C 55.736 0.300 1 35 12 12 GLU CB C 29.305 0.300 1 36 13 13 VAL H H 8.275 0.020 1 37 13 13 VAL C C 176.037 0.300 1 38 13 13 VAL CA C 61.916 0.300 1 39 13 13 VAL CB C 32.198 0.300 1 40 13 13 VAL N N 122.253 0.300 1 41 14 14 LYS H H 8.439 0.020 1 42 14 14 LYS C C 176.284 0.300 1 43 14 14 LYS CA C 55.289 0.300 1 44 14 14 LYS CB C 32.069 0.300 1 45 14 14 LYS N N 125.582 0.300 1 46 15 15 LYS H H 8.488 0.020 1 47 15 15 LYS C C 177.430 0.300 1 48 15 15 LYS CA C 56.067 0.300 1 49 15 15 LYS CB C 32.035 0.300 1 50 15 15 LYS N N 123.241 0.300 1 51 16 16 GLY H H 8.508 0.020 1 52 16 16 GLY C C 173.011 0.300 1 53 16 16 GLY CA C 44.382 0.300 1 54 16 16 GLY N N 109.788 0.300 1 55 17 17 GLU H H 7.808 0.020 1 56 17 17 GLU C C 177.466 0.300 1 57 17 17 GLU CA C 56.283 0.300 1 58 17 17 GLU CB C 29.177 0.300 1 59 17 17 GLU N N 121.067 0.300 1 60 18 18 THR H H 8.488 0.020 1 61 18 18 THR C C 174.207 0.300 1 62 18 18 THR CA C 59.995 0.300 1 63 18 18 THR CB C 68.768 0.300 1 64 18 18 THR N N 113.744 0.300 1 65 19 19 THR H H 7.746 0.020 1 66 19 19 THR C C 175.844 0.300 1 67 19 19 THR CA C 62.364 0.300 1 68 19 19 THR CB C 68.972 0.300 1 69 19 19 THR N N 116.633 0.300 1 70 20 20 ASP H H 8.923 0.020 1 71 20 20 ASP C C 176.916 0.300 1 72 20 20 ASP CA C 55.149 0.300 1 73 20 20 ASP CB C 40.020 0.300 1 74 20 20 ASP N N 126.632 0.300 1 75 21 21 GLY H H 8.667 0.020 1 76 21 21 GLY C C 171.523 0.300 1 77 21 21 GLY CA C 44.798 0.300 1 78 21 21 GLY N N 106.763 0.300 1 79 22 22 VAL H H 8.661 0.020 1 80 22 22 VAL C C 176.313 0.300 1 81 22 22 VAL CA C 59.012 0.300 1 82 22 22 VAL CB C 33.726 0.300 1 83 22 22 VAL N N 118.535 0.300 1 84 23 23 TYR H H 9.297 0.020 1 85 23 23 TYR C C 174.912 0.300 1 86 23 23 TYR CA C 55.977 0.300 1 87 23 23 TYR CB C 41.448 0.300 1 88 23 23 TYR N N 126.999 0.300 1 89 24 24 ARG H H 9.157 0.020 1 90 24 24 ARG CA C 55.638 0.300 1 91 24 24 ARG CB C 31.850 0.300 1 92 24 24 ARG N N 118.139 0.300 1 93 26 26 MET C C 175.612 0.300 1 94 26 26 MET CA C 51.439 0.300 1 95 26 26 MET CB C 32.065 0.300 1 96 27 27 THR H H 8.905 0.020 1 97 27 27 THR C C 173.528 0.300 1 98 27 27 THR CA C 59.390 0.300 1 99 27 27 THR CB C 70.675 0.300 1 100 27 27 THR N N 111.767 0.300 1 101 28 28 ARG H H 8.638 0.020 1 102 28 28 ARG C C 175.656 0.300 1 103 28 28 ARG CA C 56.068 0.300 1 104 28 28 ARG CB C 30.311 0.300 1 105 28 28 ARG N N 125.877 0.300 1 106 29 29 ARG H H 8.268 0.020 1 107 29 29 ARG CA C 54.316 0.300 1 108 29 29 ARG CB C 30.715 0.300 1 109 29 29 ARG N N 124.952 0.300 1 110 30 30 LEU C C 178.209 0.300 1 111 30 30 LEU CA C 57.682 0.300 1 112 30 30 LEU CB C 40.163 0.300 1 113 31 31 LEU H H 8.044 0.020 1 114 31 31 LEU C C 176.878 0.300 1 115 31 31 LEU CA C 54.439 0.300 1 116 31 31 LEU CB C 40.617 0.300 1 117 31 31 LEU N N 116.603 0.300 1 118 32 32 GLY H H 7.721 0.020 1 119 32 32 GLY C C 173.026 0.300 1 120 32 32 GLY CA C 44.547 0.300 1 121 32 32 GLY N N 108.192 0.300 1 122 33 33 SER H H 8.603 0.020 1 123 33 33 SER C C 173.758 0.300 1 124 33 33 SER CA C 57.490 0.300 1 125 33 33 SER CB C 65.333 0.300 1 126 33 33 SER N N 116.781 0.300 1 127 34 34 THR H H 8.765 0.020 1 128 34 34 THR C C 172.387 0.300 1 129 34 34 THR CA C 60.619 0.300 1 130 34 34 THR CB C 71.403 0.300 1 131 34 34 THR N N 117.558 0.300 1 132 35 35 GLN H H 8.964 0.020 1 133 35 35 GLN C C 175.494 0.300 1 134 35 35 GLN CA C 55.984 0.300 1 135 35 35 GLN CB C 28.967 0.300 1 136 35 35 GLN N N 127.307 0.300 1 137 36 36 VAL H H 8.971 0.020 1 138 36 36 VAL C C 175.347 0.300 1 139 36 36 VAL CA C 60.835 0.300 1 140 36 36 VAL CB C 31.953 0.300 1 141 36 36 VAL N N 120.682 0.300 1 142 37 37 GLY H H 7.985 0.020 1 143 37 37 GLY C C 170.150 0.300 1 144 37 37 GLY CA C 46.031 0.300 1 145 37 37 GLY N N 109.916 0.300 1 146 38 38 VAL H H 8.736 0.020 1 147 38 38 VAL C C 174.599 0.300 1 148 38 38 VAL CA C 60.050 0.300 1 149 38 38 VAL CB C 35.207 0.300 1 150 38 38 VAL N N 122.036 0.300 1 151 39 39 GLY H H 9.134 0.020 1 152 39 39 GLY C C 172.073 0.300 1 153 39 39 GLY CA C 46.045 0.300 1 154 39 39 GLY N N 109.761 0.300 1 155 40 40 VAL H H 8.715 0.020 1 156 40 40 VAL C C 174.773 0.300 1 157 40 40 VAL CA C 60.405 0.300 1 158 40 40 VAL CB C 35.757 0.300 1 159 40 40 VAL N N 116.678 0.300 1 160 41 41 MET H H 9.903 0.020 1 161 41 41 MET C C 175.119 0.300 1 162 41 41 MET CA C 52.906 0.300 1 163 41 41 MET CB C 34.780 0.300 1 164 41 41 MET N N 133.683 0.300 1 165 42 42 GLN H H 9.309 0.020 1 166 42 42 GLN C C 174.584 0.300 1 167 42 42 GLN CA C 56.299 0.300 1 168 42 42 GLN CB C 31.834 0.300 1 169 42 42 GLN N N 129.046 0.300 1 170 43 43 GLU H H 9.398 0.020 1 171 43 43 GLU C C 175.802 0.300 1 172 43 43 GLU CA C 57.105 0.300 1 173 43 43 GLU CB C 27.358 0.300 1 174 43 43 GLU N N 124.873 0.300 1 175 44 44 GLY H H 9.306 0.020 1 176 44 44 GLY C C 172.642 0.300 1 177 44 44 GLY CA C 44.936 0.300 1 178 44 44 GLY N N 104.404 0.300 1 179 45 45 VAL H H 7.569 0.020 1 180 45 45 VAL C C 174.964 0.300 1 181 45 45 VAL CA C 60.243 0.300 1 182 45 45 VAL CB C 34.106 0.300 1 183 45 45 VAL N N 120.102 0.300 1 184 46 46 PHE H H 7.941 0.020 1 185 46 46 PHE CA C 56.727 0.300 1 186 46 46 PHE CB C 40.805 0.300 1 187 46 46 PHE N N 125.641 0.300 1 188 50 50 TRP H H 7.356 0.020 1 189 50 50 TRP C C 178.696 0.300 1 190 50 50 TRP CA C 60.588 0.300 1 191 50 50 TRP CB C 26.989 0.300 1 192 50 50 TRP N N 124.622 0.300 1 193 51 51 HIS H H 9.847 0.020 1 194 51 51 HIS C C 175.134 0.300 1 195 51 51 HIS CA C 58.739 0.300 1 196 51 51 HIS CB C 26.843 0.300 1 197 51 51 HIS N N 112.582 0.300 1 198 52 52 VAL H H 6.997 0.020 1 199 52 52 VAL C C 175.556 0.300 1 200 52 52 VAL CA C 64.948 0.300 1 201 52 52 VAL CB C 30.809 0.300 1 202 52 52 VAL N N 119.649 0.300 1 203 53 53 THR H H 6.333 0.020 1 204 53 53 THR C C 175.908 0.300 1 205 53 53 THR CA C 59.926 0.300 1 206 53 53 THR CB C 70.037 0.300 1 207 53 53 THR N N 101.181 0.300 1 208 54 54 LYS H H 9.181 0.020 1 209 54 54 LYS C C 175.734 0.300 1 210 54 54 LYS CA C 55.669 0.300 1 211 54 54 LYS CB C 28.477 0.300 1 212 54 54 LYS N N 121.983 0.300 1 213 55 55 GLY H H 7.029 0.020 1 214 55 55 GLY C C 172.956 0.300 1 215 55 55 GLY CA C 44.679 0.300 1 216 55 55 GLY N N 101.286 0.300 1 217 56 56 ALA H H 7.331 0.020 1 218 56 56 ALA C C 177.750 0.300 1 219 56 56 ALA CA C 51.584 0.300 1 220 56 56 ALA CB C 18.848 0.300 1 221 56 56 ALA N N 121.080 0.300 1 222 57 57 ALA H H 8.600 0.020 1 223 57 57 ALA C C 175.750 0.300 1 224 57 57 ALA CA C 52.694 0.300 1 225 57 57 ALA CB C 18.182 0.300 1 226 57 57 ALA N N 123.037 0.300 1 227 58 58 LEU H H 8.059 0.020 1 228 58 58 LEU C C 176.273 0.300 1 229 58 58 LEU CA C 51.703 0.300 1 230 58 58 LEU CB C 45.157 0.300 1 231 58 58 LEU N N 116.194 0.300 1 232 59 59 ARG H H 8.672 0.020 1 233 59 59 ARG C C 175.260 0.300 1 234 59 59 ARG CA C 55.313 0.300 1 235 59 59 ARG CB C 29.714 0.300 1 236 59 59 ARG N N 122.222 0.300 1 237 60 60 SER H H 8.020 0.020 1 238 60 60 SER C C 175.338 0.300 1 239 60 60 SER CA C 55.317 0.300 1 240 60 60 SER CB C 62.570 0.300 1 241 60 60 SER N N 116.866 0.300 1 242 61 61 GLY H H 9.418 0.020 1 243 61 61 GLY C C 175.001 0.300 1 244 61 61 GLY CA C 46.543 0.300 1 245 61 61 GLY N N 118.655 0.300 1 246 62 62 GLU H H 9.086 0.020 1 247 62 62 GLU C C 176.519 0.300 1 248 62 62 GLU CA C 55.951 0.300 1 249 62 62 GLU CB C 29.298 0.300 1 250 62 62 GLU N N 125.501 0.300 1 251 63 63 GLY H H 7.847 0.020 1 252 63 63 GLY C C 172.178 0.300 1 253 63 63 GLY CA C 43.861 0.300 1 254 63 63 GLY N N 107.027 0.300 1 255 64 64 ARG H H 8.437 0.020 1 256 64 64 ARG C C 174.986 0.300 1 257 64 64 ARG CA C 54.585 0.300 1 258 64 64 ARG CB C 32.502 0.300 1 259 64 64 ARG N N 121.206 0.300 1 260 65 65 LEU H H 9.699 0.020 1 261 65 65 LEU C C 175.234 0.300 1 262 65 65 LEU CA C 53.260 0.300 1 263 65 65 LEU CB C 41.403 0.300 1 264 65 65 LEU N N 125.277 0.300 1 265 66 66 ASP H H 7.522 0.020 1 266 66 66 ASP CA C 51.730 0.300 1 267 66 66 ASP CB C 41.402 0.300 1 268 66 66 ASP N N 122.864 0.300 1 269 67 67 PRO C C 174.692 0.300 1 270 67 67 PRO CA C 62.664 0.300 1 271 67 67 PRO CB C 29.940 0.300 1 272 68 68 TYR H H 9.613 0.020 1 273 68 68 TYR C C 174.558 0.300 1 274 68 68 TYR CA C 58.525 0.300 1 275 68 68 TYR N N 124.326 0.300 1 276 69 69 TRP H H 8.049 0.020 1 277 69 69 TRP C C 173.005 0.300 1 278 69 69 TRP CA C 56.378 0.300 1 279 69 69 TRP CB C 30.660 0.300 1 280 69 69 TRP N N 121.176 0.300 1 281 70 70 GLY H H 7.020 0.020 1 282 70 70 GLY C C 170.364 0.300 1 283 70 70 GLY CA C 45.108 0.300 1 284 70 70 GLY N N 111.639 0.300 1 285 71 71 ASP H H 7.867 0.020 1 286 71 71 ASP C C 175.651 0.300 1 287 71 71 ASP CA C 52.908 0.300 1 288 71 71 ASP CB C 44.208 0.300 1 289 71 71 ASP N N 117.813 0.300 1 290 72 72 VAL H H 8.120 0.020 1 291 72 72 VAL C C 176.331 0.300 1 292 72 72 VAL CA C 65.051 0.300 1 293 72 72 VAL CB C 30.665 0.300 1 294 72 72 VAL N N 126.280 0.300 1 295 73 73 LYS H H 7.585 0.020 1 296 73 73 LYS C C 178.532 0.300 1 297 73 73 LYS CA C 58.861 0.300 1 298 73 73 LYS CB C 31.133 0.300 1 299 73 73 LYS N N 121.036 0.300 1 300 74 74 GLN H H 7.709 0.020 1 301 74 74 GLN C C 176.278 0.300 1 302 74 74 GLN CA C 56.481 0.300 1 303 74 74 GLN CB C 28.999 0.300 1 304 74 74 GLN N N 112.291 0.300 1 305 75 75 ASP H H 7.878 0.020 1 306 75 75 ASP C C 175.385 0.300 1 307 75 75 ASP CA C 54.316 0.300 1 308 75 75 ASP CB C 37.857 0.300 1 309 75 75 ASP N N 115.660 0.300 1 310 76 76 LEU H H 7.723 0.020 1 311 76 76 LEU CA C 53.545 0.300 1 312 76 76 LEU CB C 48.229 0.300 1 313 76 76 LEU N N 116.225 0.300 1 314 77 77 VAL C C 171.441 0.300 1 315 77 77 VAL CA C 59.648 0.300 1 316 77 77 VAL CB C 35.054 0.300 1 317 78 78 SER H H 10.179 0.020 1 318 78 78 SER CA C 56.508 0.300 1 319 78 78 SER CB C 67.508 0.300 1 320 78 78 SER N N 120.970 0.300 1 321 79 79 TYR C C 176.468 0.300 1 322 79 79 TYR CA C 57.201 0.300 1 323 79 79 TYR CB C 40.372 0.300 1 324 80 80 CYS H H 7.976 0.020 1 325 80 80 CYS C C 173.263 0.300 1 326 80 80 CYS CA C 56.781 0.300 1 327 80 80 CYS CB C 37.650 0.300 1 328 80 80 CYS N N 109.813 0.300 1 329 81 81 GLY H H 7.277 0.020 1 330 81 81 GLY C C 167.892 0.300 1 331 81 81 GLY CA C 44.023 0.300 1 332 81 81 GLY N N 108.504 0.300 1 333 82 82 PRO C C 172.623 0.300 1 334 82 82 PRO CA C 61.566 0.300 1 335 82 82 PRO CB C 31.786 0.300 1 336 83 83 TRP H H 7.838 0.020 1 337 83 83 TRP C C 177.986 0.300 1 338 83 83 TRP CA C 59.169 0.300 1 339 83 83 TRP CB C 28.759 0.300 1 340 83 83 TRP N N 117.286 0.300 1 341 84 84 LYS H H 10.853 0.020 1 342 84 84 LYS C C 177.127 0.300 1 343 84 84 LYS CA C 54.291 0.300 1 344 84 84 LYS CB C 33.321 0.300 1 345 84 84 LYS N N 127.669 0.300 1 346 85 85 LEU H H 5.687 0.020 1 347 85 85 LEU CA C 54.557 0.300 1 348 85 85 LEU CB C 38.417 0.300 1 349 85 85 LEU N N 117.827 0.300 1 350 86 86 ASP H H 8.239 0.020 1 351 86 86 ASP C C 176.339 0.300 1 352 86 86 ASP CA C 52.854 0.300 1 353 86 86 ASP CB C 41.714 0.300 1 354 86 86 ASP N N 121.602 0.300 1 355 87 87 ALA H H 8.352 0.020 1 356 87 87 ALA C C 175.075 0.300 1 357 87 87 ALA CA C 52.502 0.300 1 358 87 87 ALA CB C 18.915 0.300 1 359 87 87 ALA N N 125.986 0.300 1 360 88 88 ALA H H 8.239 0.020 1 361 88 88 ALA C C 178.723 0.300 1 362 88 88 ALA CA C 49.257 0.300 1 363 88 88 ALA CB C 21.945 0.300 1 364 88 88 ALA N N 120.356 0.300 1 365 89 89 TRP H H 9.360 0.020 1 366 89 89 TRP C C 176.974 0.300 1 367 89 89 TRP CA C 56.590 0.300 1 368 89 89 TRP CB C 27.572 0.300 1 369 89 89 TRP N N 123.430 0.300 1 370 90 90 ASP H H 8.692 0.020 1 371 90 90 ASP CA C 53.981 0.300 1 372 90 90 ASP CB C 39.185 0.300 1 373 90 90 ASP N N 130.079 0.300 1 374 91 91 GLY C C 173.355 0.300 1 375 91 91 GLY CA C 43.826 0.300 1 376 92 92 LEU H H 7.941 0.020 1 377 92 92 LEU C C 177.116 0.300 1 378 92 92 LEU CA C 55.449 0.300 1 379 92 92 LEU CB C 46.126 0.300 1 380 92 92 LEU N N 119.075 0.300 1 381 93 93 SER H H 9.914 0.020 1 382 93 93 SER C C 174.616 0.300 1 383 93 93 SER CA C 59.091 0.300 1 384 93 93 SER CB C 64.081 0.300 1 385 93 93 SER N N 117.694 0.300 1 386 94 94 GLU H H 8.795 0.020 1 387 94 94 GLU C C 175.700 0.300 1 388 94 94 GLU CA C 57.420 0.300 1 389 94 94 GLU CB C 30.213 0.300 1 390 94 94 GLU N N 118.872 0.300 1 391 95 95 VAL H H 8.977 0.020 1 392 95 95 VAL C C 174.831 0.300 1 393 95 95 VAL CA C 58.157 0.300 1 394 95 95 VAL CB C 33.873 0.300 1 395 95 95 VAL N N 111.724 0.300 1 396 96 96 GLN H H 8.726 0.020 1 397 96 96 GLN C C 175.423 0.300 1 398 96 96 GLN CA C 53.150 0.300 1 399 96 96 GLN CB C 29.740 0.300 1 400 96 96 GLN N N 115.115 0.300 1 401 97 97 LEU H H 9.134 0.020 1 402 97 97 LEU C C 173.703 0.300 1 403 97 97 LEU CA C 53.092 0.300 1 404 97 97 LEU CB C 43.526 0.300 1 405 97 97 LEU N N 123.641 0.300 1 406 98 98 LEU H H 8.747 0.020 1 407 98 98 LEU C C 173.627 0.300 1 408 98 98 LEU CA C 53.033 0.300 1 409 98 98 LEU CB C 39.743 0.300 1 410 98 98 LEU N N 133.384 0.300 1 411 99 99 ALA H H 7.955 0.020 1 412 99 99 ALA C C 177.413 0.300 1 413 99 99 ALA CA C 51.297 0.300 1 414 99 99 ALA CB C 17.438 0.300 1 415 99 99 ALA N N 122.260 0.300 1 416 100 100 VAL H H 7.015 0.020 1 417 100 100 VAL CA C 58.407 0.300 1 418 100 100 VAL CB C 29.800 0.300 1 419 100 100 VAL N N 121.536 0.300 1 420 102 102 PRO C C 178.438 0.300 1 421 102 102 PRO CA C 62.596 0.300 1 422 102 102 PRO CB C 30.871 0.300 1 423 103 103 GLY H H 9.000 0.020 1 424 103 103 GLY C C 173.165 0.300 1 425 103 103 GLY CA C 45.579 0.300 1 426 103 103 GLY N N 111.741 0.300 1 427 104 104 GLU H H 7.654 0.020 1 428 104 104 GLU C C 175.304 0.300 1 429 104 104 GLU CA C 53.457 0.300 1 430 104 104 GLU CB C 32.969 0.300 1 431 104 104 GLU N N 118.133 0.300 1 432 105 105 ARG H H 8.400 0.020 1 433 105 105 ARG C C 174.999 0.300 1 434 105 105 ARG CA C 55.425 0.300 1 435 105 105 ARG CB C 29.670 0.300 1 436 105 105 ARG N N 119.853 0.300 1 437 106 106 ALA H H 8.177 0.020 1 438 106 106 ALA C C 177.485 0.300 1 439 106 106 ALA CA C 51.524 0.300 1 440 106 106 ALA CB C 18.366 0.300 1 441 106 106 ALA N N 122.340 0.300 1 442 107 107 LYS H H 8.776 0.020 1 443 107 107 LYS C C 172.920 0.300 1 444 107 107 LYS CA C 54.859 0.300 1 445 107 107 LYS CB C 35.121 0.300 1 446 107 107 LYS N N 122.092 0.300 1 447 108 108 ASN H H 8.380 0.020 1 448 108 108 ASN C C 174.154 0.300 1 449 108 108 ASN CA C 52.652 0.300 1 450 108 108 ASN CB C 38.589 0.300 1 451 108 108 ASN N N 121.898 0.300 1 452 109 109 ILE H H 8.975 0.020 1 453 109 109 ILE C C 173.787 0.300 1 454 109 109 ILE CA C 59.141 0.300 1 455 109 109 ILE CB C 39.907 0.300 1 456 109 109 ILE N N 122.251 0.300 1 457 110 110 GLN H H 9.183 0.020 1 458 110 110 GLN C C 173.336 0.300 1 459 110 110 GLN CA C 54.161 0.300 1 460 110 110 GLN CB C 30.022 0.300 1 461 110 110 GLN N N 129.283 0.300 1 462 111 111 THR H H 8.827 0.020 1 463 111 111 THR C C 170.688 0.300 1 464 111 111 THR CA C 60.529 0.300 1 465 111 111 THR CB C 69.510 0.300 1 466 111 111 THR N N 116.914 0.300 1 467 112 112 LEU H H 8.148 0.020 1 468 112 112 LEU CA C 50.891 0.300 1 469 112 112 LEU CB C 41.748 0.300 1 470 112 112 LEU N N 128.717 0.300 1 471 113 113 PRO C C 177.323 0.300 1 472 113 113 PRO CA C 62.823 0.300 1 473 113 113 PRO CB C 30.199 0.300 1 474 114 114 GLY H H 8.406 0.020 1 475 114 114 GLY C C 172.640 0.300 1 476 114 114 GLY CA C 42.911 0.300 1 477 114 114 GLY N N 106.290 0.300 1 478 115 115 ILE H H 8.470 0.020 1 479 115 115 ILE C C 175.644 0.300 1 480 115 115 ILE CA C 58.922 0.300 1 481 115 115 ILE N N 115.440 0.300 1 482 116 116 PHE H H 9.505 0.020 1 483 116 116 PHE C C 174.623 0.300 1 484 116 116 PHE CA C 51.913 0.300 1 485 116 116 PHE CB C 43.041 0.300 1 486 116 116 PHE N N 122.910 0.300 1 487 117 117 LYS H H 9.409 0.020 1 488 117 117 LYS C C 176.487 0.300 1 489 117 117 LYS CA C 55.156 0.300 1 490 117 117 LYS CB C 30.632 0.300 1 491 117 117 LYS N N 125.022 0.300 1 492 118 118 THR H H 7.916 0.020 1 493 118 118 THR C C 176.643 0.300 1 494 118 118 THR CA C 59.139 0.300 1 495 118 118 THR CB C 72.781 0.300 1 496 118 118 THR N N 115.266 0.300 1 497 119 119 LYS H H 9.195 0.020 1 498 119 119 LYS C C 176.483 0.300 1 499 119 119 LYS CA C 57.879 0.300 1 500 119 119 LYS CB C 30.748 0.300 1 501 119 119 LYS N N 120.685 0.300 1 502 120 120 ASP H H 7.908 0.020 1 503 120 120 ASP C C 175.080 0.300 1 504 120 120 ASP CA C 53.860 0.300 1 505 120 120 ASP CB C 41.877 0.300 1 506 120 120 ASP N N 116.798 0.300 1 507 121 121 GLY H H 7.423 0.020 1 508 121 121 GLY C C 173.667 0.300 1 509 121 121 GLY CA C 43.819 0.300 1 510 121 121 GLY N N 108.339 0.300 1 511 122 122 ASP H H 8.701 0.020 1 512 122 122 ASP C C 176.822 0.300 1 513 122 122 ASP CA C 53.649 0.300 1 514 122 122 ASP CB C 41.008 0.300 1 515 122 122 ASP N N 122.536 0.300 1 516 123 123 ILE H H 9.365 0.020 1 517 123 123 ILE C C 175.555 0.300 1 518 123 123 ILE CA C 59.846 0.300 1 519 123 123 ILE CB C 41.317 0.300 1 520 123 123 ILE N N 123.366 0.300 1 521 124 124 GLY H H 9.441 0.020 1 522 124 124 GLY C C 171.649 0.300 1 523 124 124 GLY CA C 46.429 0.300 1 524 124 124 GLY N N 112.499 0.300 1 525 125 125 ALA H H 7.591 0.020 1 526 125 125 ALA C C 175.923 0.300 1 527 125 125 ALA CA C 50.050 0.300 1 528 125 125 ALA CB C 20.817 0.300 1 529 125 125 ALA N N 123.593 0.300 1 530 126 126 VAL H H 9.103 0.020 1 531 126 126 VAL C C 174.478 0.300 1 532 126 126 VAL CA C 57.536 0.300 1 533 126 126 VAL CB C 33.276 0.300 1 534 126 126 VAL N N 111.761 0.300 1 535 127 127 ALA H H 9.728 0.020 1 536 127 127 ALA C C 175.087 0.300 1 537 127 127 ALA CA C 49.705 0.300 1 538 127 127 ALA CB C 16.744 0.300 1 539 127 127 ALA N N 135.315 0.300 1 540 128 128 LEU H H 7.107 0.020 1 541 128 128 LEU C C 175.860 0.300 1 542 128 128 LEU CA C 52.791 0.300 1 543 128 128 LEU CB C 45.306 0.300 1 544 128 128 LEU N N 117.599 0.300 1 545 129 129 ASP H H 9.107 0.020 1 546 129 129 ASP C C 172.470 0.300 1 547 129 129 ASP CA C 54.083 0.300 1 548 129 129 ASP CB C 42.268 0.300 1 549 129 129 ASP N N 127.235 0.300 1 550 130 130 TYR H H 7.494 0.020 1 551 130 130 TYR CA C 56.549 0.300 1 552 130 130 TYR CB C 39.490 0.300 1 553 130 130 TYR N N 124.320 0.300 1 554 133 133 GLY H H 9.174 0.020 1 555 133 133 GLY C C 173.655 0.300 1 556 133 133 GLY CA C 44.490 0.300 1 557 133 133 GLY N N 110.853 0.300 1 558 134 134 THR H H 8.109 0.020 1 559 134 134 THR C C 175.868 0.300 1 560 134 134 THR CA C 63.230 0.300 1 561 134 134 THR CB C 68.193 0.300 1 562 134 134 THR N N 115.258 0.300 1 563 135 135 SER H H 8.658 0.020 1 564 135 135 SER C C 172.038 0.300 1 565 135 135 SER CA C 59.768 0.300 1 566 135 135 SER CB C 63.271 0.300 1 567 135 135 SER N N 119.729 0.300 1 568 136 136 GLY H H 9.612 0.020 1 569 136 136 GLY C C 172.765 0.300 1 570 136 136 GLY CA C 43.983 0.300 1 571 136 136 GLY N N 109.274 0.300 1 572 137 137 SER H H 7.680 0.020 1 573 137 137 SER CA C 58.469 0.300 1 574 137 137 SER CB C 62.868 0.300 1 575 137 137 SER N N 115.620 0.300 1 576 138 138 PRO C C 173.631 0.300 1 577 138 138 PRO CA C 62.085 0.300 1 578 138 138 PRO CB C 32.252 0.300 1 579 139 139 ILE H H 8.552 0.020 1 580 139 139 ILE C C 174.708 0.300 1 581 139 139 ILE CA C 59.036 0.300 1 582 139 139 ILE CB C 37.774 0.300 1 583 139 139 ILE N N 120.391 0.300 1 584 140 140 LEU H H 9.981 0.020 1 585 140 140 LEU C C 177.672 0.300 1 586 140 140 LEU CA C 53.367 0.300 1 587 140 140 LEU CB C 45.464 0.300 1 588 140 140 LEU N N 126.825 0.300 1 589 141 141 ASP H H 8.481 0.020 1 590 141 141 ASP C C 177.838 0.300 1 591 141 141 ASP CA C 51.255 0.300 1 592 141 141 ASP CB C 42.004 0.300 1 593 141 141 ASP N N 117.356 0.300 1 594 142 142 LYS H H 7.825 0.020 1 595 142 142 LYS C C 177.560 0.300 1 596 142 142 LYS CA C 57.037 0.300 1 597 142 142 LYS CB C 30.440 0.300 1 598 142 142 LYS N N 114.987 0.300 1 599 143 143 CYS H H 7.896 0.020 1 600 143 143 CYS C C 175.196 0.300 1 601 143 143 CYS CA C 55.274 0.300 1 602 143 143 CYS CB C 40.187 0.300 1 603 143 143 CYS N N 117.659 0.300 1 604 144 144 GLY H H 8.994 0.020 1 605 144 144 GLY C C 173.087 0.300 1 606 144 144 GLY CA C 45.056 0.300 1 607 144 144 GLY N N 110.391 0.300 1 608 145 145 ARG H H 8.205 0.020 1 609 145 145 ARG C C 176.020 0.300 1 610 145 145 ARG CA C 54.722 0.300 1 611 145 145 ARG CB C 29.422 0.300 1 612 145 145 ARG N N 119.021 0.300 1 613 146 146 VAL H H 8.529 0.020 1 614 146 146 VAL C C 176.510 0.300 1 615 146 146 VAL CA C 62.627 0.300 1 616 146 146 VAL CB C 30.188 0.300 1 617 146 146 VAL N N 119.838 0.300 1 618 147 147 ILE H H 9.082 0.020 1 619 147 147 ILE C C 174.143 0.300 1 620 147 147 ILE CA C 60.434 0.300 1 621 147 147 ILE CB C 37.268 0.300 1 622 147 147 ILE N N 122.675 0.300 1 623 148 148 GLY H H 7.407 0.020 1 624 148 148 GLY C C 170.051 0.300 1 625 148 148 GLY CA C 43.914 0.300 1 626 148 148 GLY N N 104.711 0.300 1 627 149 149 LEU H H 9.513 0.020 1 628 149 149 LEU C C 174.465 0.300 1 629 149 149 LEU CA C 52.921 0.300 1 630 149 149 LEU CB C 43.193 0.300 1 631 149 149 LEU N N 116.149 0.300 1 632 150 150 TYR H H 9.091 0.020 1 633 150 150 TYR CA C 58.908 0.300 1 634 150 150 TYR CB C 39.310 0.300 1 635 150 150 TYR N N 122.571 0.300 1 636 153 153 GLY H H 8.740 0.020 1 637 153 153 GLY C C 171.364 0.300 1 638 153 153 GLY CA C 45.827 0.300 1 639 153 153 GLY N N 114.044 0.300 1 640 154 154 VAL H H 8.818 0.020 1 641 154 154 VAL C C 171.936 0.300 1 642 154 154 VAL CA C 58.892 0.300 1 643 154 154 VAL CB C 35.511 0.300 1 644 154 154 VAL N N 118.699 0.300 1 645 155 155 VAL H H 8.089 0.020 1 646 155 155 VAL C C 177.364 0.300 1 647 155 155 VAL CA C 61.085 0.300 1 648 155 155 VAL CB C 31.557 0.300 1 649 155 155 VAL N N 122.514 0.300 1 650 156 156 ILE H H 8.371 0.020 1 651 156 156 ILE C C 178.006 0.300 1 652 156 156 ILE CA C 60.817 0.300 1 653 156 156 ILE CB C 36.898 0.300 1 654 156 156 ILE N N 120.771 0.300 1 655 157 157 LYS H H 8.495 0.020 1 656 157 157 LYS C C 177.658 0.300 1 657 157 157 LYS CA C 59.450 0.300 1 658 157 157 LYS CB C 30.626 0.300 1 659 157 157 LYS N N 119.687 0.300 1 660 158 158 ASN H H 7.845 0.020 1 661 158 158 ASN C C 176.566 0.300 1 662 158 158 ASN CA C 52.407 0.300 1 663 158 158 ASN CB C 36.441 0.300 1 664 158 158 ASN N N 114.199 0.300 1 665 159 159 GLY H H 8.462 0.020 1 666 159 159 GLY C C 174.309 0.300 1 667 159 159 GLY CA C 44.622 0.300 1 668 159 159 GLY N N 108.297 0.300 1 669 160 160 SER H H 7.830 0.020 1 670 160 160 SER C C 171.309 0.300 1 671 160 160 SER CA C 58.485 0.300 1 672 160 160 SER CB C 63.610 0.300 1 673 160 160 SER N N 117.047 0.300 1 674 161 161 TYR H H 7.745 0.020 1 675 161 161 TYR CA C 56.914 0.300 1 676 161 161 TYR CB C 41.439 0.300 1 677 161 161 TYR N N 121.486 0.300 1 678 162 162 VAL C C 174.025 0.300 1 679 162 162 VAL CA C 59.989 0.300 1 680 162 162 VAL CB C 33.825 0.300 1 681 163 163 SER H H 8.284 0.020 1 682 163 163 SER C C 175.176 0.300 1 683 163 163 SER CA C 55.409 0.300 1 684 163 163 SER CB C 66.576 0.300 1 685 163 163 SER N N 116.405 0.300 1 686 164 164 ALA H H 9.134 0.020 1 687 164 164 ALA C C 180.024 0.300 1 688 164 164 ALA CA C 53.007 0.300 1 689 164 164 ALA CB C 18.150 0.300 1 690 164 164 ALA N N 129.391 0.300 1 691 165 165 ILE H H 8.508 0.020 1 692 165 165 ILE C C 174.587 0.300 1 693 165 165 ILE CA C 61.724 0.300 1 694 165 165 ILE CB C 35.330 0.300 1 695 165 165 ILE N N 125.222 0.300 1 696 166 166 THR H H 7.431 0.020 1 697 166 166 THR C C 172.745 0.300 1 698 166 166 THR CA C 64.008 0.300 1 699 166 166 THR CB C 68.302 0.300 1 700 166 166 THR N N 122.711 0.300 1 701 167 167 GLN H H 8.804 0.020 1 702 167 167 GLN C C 175.980 0.300 1 703 167 167 GLN CA C 51.974 0.300 1 704 167 167 GLN CB C 32.023 0.300 1 705 167 167 GLN N N 129.266 0.300 1 706 168 168 GLY H H 8.339 0.020 1 707 168 168 GLY C C 172.349 0.300 1 708 168 168 GLY CA C 43.715 0.300 1 709 168 168 GLY N N 115.792 0.300 1 710 169 169 LYS H H 8.105 0.020 1 711 169 169 LYS C C 175.609 0.300 1 712 169 169 LYS CA C 54.667 0.300 1 713 169 169 LYS CB C 33.018 0.300 1 714 169 169 LYS N N 121.844 0.300 1 715 170 170 ARG H H 8.655 0.020 1 716 170 170 ARG C C 176.186 0.300 1 717 170 170 ARG CA C 55.189 0.300 1 718 170 170 ARG CB C 29.832 0.300 1 719 170 170 ARG N N 125.227 0.300 1 720 171 171 GLU H H 8.578 0.020 1 721 171 171 GLU CA C 55.557 0.300 1 722 171 171 GLU CB C 29.766 0.300 1 723 171 171 GLU N N 125.288 0.300 1 724 172 172 GLU C C 176.333 0.300 1 725 172 172 GLU CA C 55.693 0.300 1 726 172 172 GLU CB C 29.570 0.300 1 727 173 173 GLU H H 8.590 0.020 1 728 173 173 GLU C C 176.404 0.300 1 729 173 173 GLU CA C 55.816 0.300 1 730 173 173 GLU CB C 29.553 0.300 1 731 173 173 GLU N N 122.569 0.300 1 732 174 174 THR H H 8.400 0.020 1 733 174 174 THR CA C 59.580 0.300 1 734 174 174 THR CB C 69.255 0.300 1 735 174 174 THR N N 119.128 0.300 1 736 175 175 PRO C C 176.875 0.300 1 737 175 175 PRO CA C 62.574 0.300 1 738 175 175 PRO CB C 31.148 0.300 1 739 176 176 VAL H H 8.344 0.020 1 740 176 176 VAL C C 175.494 0.300 1 741 176 176 VAL CA C 61.995 0.300 1 742 176 176 VAL CB C 31.847 0.300 1 743 176 176 VAL N N 120.977 0.300 1 744 177 177 GLU H H 7.979 0.020 1 745 177 177 GLU CA C 57.440 0.300 1 746 177 177 GLU CB C 30.319 0.300 1 747 177 177 GLU N N 129.084 0.300 1 stop_ save_