data_26873 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of NS2B-NS3 Protease from Zika Virus ; _BMRB_accession_number 26873 _BMRB_flat_file_name bmr26873.str _Entry_type original _Submission_date 2016-08-09 _Accession_date 2016-08-09 _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 Phoo 'Wint Wint' . . 3 Zhang Zhenzhen . . 4 Lee 'Michelle Yueqi' . . 5 Loh 'Ying Ru' . . 6 Tan 'Yaw Bia' . . 7 Ng 'Elizabeth Yihui' . . 8 Lescar Julien . . 9 Kang CongBao . . 10 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" 214 "13C chemical shifts" 641 "15N chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-21 original BMRB . stop_ _Original_release_date 2016-11-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the NS2B-NS3 protease from Zika virus after self-cleavage ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27845325 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phoo 'Wint Wint' . . 2 Li Yan . . 3 Zhang Zhenzhen . . 4 Lee 'Michelle Yueqi' . . 5 Loh 'Ying Ru' . . 6 Tan 'Yaw Bia' . . 7 Ng 'Elizabeth Yihui' . . 8 Lescar Julien . . 9 Kang CongBao . . 10 Luo Dahai . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature Communications' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13410 _Page_last 13410 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS2B-NS3 Protease from Zika Virus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS2B fragment (45-96)' $NS2B_fragment 'NS3 fragment (1-177)' $NS3_fragment 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. The two sequence is linked through a sequence (T127-R130) of NS2B, and then auto-cleaved into Tag-NS2B(T45-E96)-(T1127-R130) and NS3 fragment (1-177) after purification. ; save_ ######################## # Monomeric polymers # ######################## save_NS2B_fragment _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'NS2B fragment (45-96)' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MTGKSVDMYIERAGDITWEK DAEVTGNSPRLDVALDESGD FSLVEEDGPPMREKTGKR ; 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 74 126 LYS 75 127 THR 76 128 GLY 77 129 LYS 78 130 ARG 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 (1-177)' _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_ #################### # 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 310 . 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 direct . . . 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_ _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 48 25 SER C C 174.058 0.300 1 2 48 25 SER CA C 57.972 0.300 1 3 48 25 SER CB C 63.287 0.300 1 4 49 26 VAL H H 8.142 0.020 1 5 49 26 VAL C C 175.122 0.300 1 6 49 26 VAL CA C 61.378 0.300 1 7 49 26 VAL CB C 32.422 0.300 1 8 49 26 VAL N N 121.891 0.300 1 9 50 27 ASP H H 8.499 0.020 1 10 50 27 ASP C C 175.072 0.300 1 11 50 27 ASP CA C 53.897 0.300 1 12 50 27 ASP CB C 41.204 0.300 1 13 50 27 ASP N N 125.472 0.300 1 14 51 28 MET H H 8.216 0.020 1 15 51 28 MET C C 175.152 0.300 1 16 51 28 MET CA C 54.204 0.300 1 17 51 28 MET CB C 35.457 0.300 1 18 51 28 MET N N 122.117 0.300 1 19 52 29 TYR H H 9.034 0.020 1 20 52 29 TYR C C 172.689 0.300 1 21 52 29 TYR CA C 54.659 0.300 1 22 52 29 TYR CB C 40.697 0.300 1 23 52 29 TYR N N 120.152 0.300 1 24 53 30 ILE H H 7.979 0.020 1 25 53 30 ILE C C 175.832 0.300 1 26 53 30 ILE CA C 57.713 0.300 1 27 53 30 ILE CB C 40.008 0.300 1 28 53 30 ILE N N 109.774 0.300 1 29 54 31 GLU H H 8.595 0.020 1 30 54 31 GLU C C 174.959 0.300 1 31 54 31 GLU CA C 54.352 0.300 1 32 54 31 GLU CB C 33.551 0.300 1 33 54 31 GLU N N 121.228 0.300 1 34 55 32 ARG H H 9.254 0.020 1 35 55 32 ARG C C 175.696 0.300 1 36 55 32 ARG CA C 58.711 0.300 1 37 55 32 ARG CB C 28.600 0.300 1 38 55 32 ARG N N 129.965 0.300 1 39 56 33 ALA H H 9.583 0.020 1 40 56 33 ALA C C 176.784 0.300 1 41 56 33 ALA CA C 51.062 0.300 1 42 56 33 ALA CB C 19.964 0.300 1 43 56 33 ALA N N 128.193 0.300 1 44 57 34 GLY H H 7.155 0.020 1 45 57 34 GLY C C 171.199 0.300 1 46 57 34 GLY CA C 44.795 0.300 1 47 57 34 GLY N N 103.340 0.300 1 48 58 35 ASP H H 8.234 0.020 1 49 58 35 ASP C C 175.436 0.300 1 50 58 35 ASP CA C 53.049 0.300 1 51 58 35 ASP CB C 41.920 0.300 1 52 58 35 ASP N N 118.357 0.300 1 53 59 36 ILE H H 8.714 0.020 1 54 59 36 ILE C C 174.922 0.300 1 55 59 36 ILE CA C 61.310 0.300 1 56 59 36 ILE CB C 36.412 0.300 1 57 59 36 ILE N N 119.495 0.300 1 58 60 37 THR H H 6.898 0.020 1 59 60 37 THR C C 171.586 0.300 1 60 60 37 THR CA C 59.141 0.300 1 61 60 37 THR CB C 71.014 0.300 1 62 60 37 THR N N 118.477 0.300 1 63 61 38 TRP H H 8.505 0.020 1 64 61 38 TRP C C 175.629 0.300 1 65 61 38 TRP CA C 56.443 0.300 1 66 61 38 TRP CB C 28.686 0.300 1 67 61 38 TRP N N 123.656 0.300 1 68 62 39 GLU H H 8.498 0.020 1 69 62 39 GLU C C 176.330 0.300 1 70 62 39 GLU CA C 53.995 0.300 1 71 62 39 GLU CB C 30.406 0.300 1 72 62 39 GLU N N 130.670 0.300 1 73 63 40 LYS H H 8.807 0.020 1 74 63 40 LYS C C 176.646 0.300 1 75 63 40 LYS CA C 58.134 0.300 1 76 63 40 LYS CB C 31.241 0.300 1 77 63 40 LYS N N 127.560 0.300 1 78 64 41 ASP H H 8.609 0.020 1 79 64 41 ASP C C 174.921 0.300 1 80 64 41 ASP CA C 53.614 0.300 1 81 64 41 ASP CB C 39.103 0.300 1 82 64 41 ASP N N 118.544 0.300 1 83 65 42 ALA H H 6.990 0.020 1 84 65 42 ALA C C 177.075 0.300 1 85 65 42 ALA CA C 51.762 0.300 1 86 65 42 ALA CB C 19.051 0.300 1 87 65 42 ALA N N 121.482 0.300 1 88 66 43 GLU H H 8.197 0.020 1 89 66 43 GLU C C 174.142 0.300 1 90 66 43 GLU CA C 56.173 0.300 1 91 66 43 GLU CB C 29.720 0.300 1 92 66 43 GLU N N 121.374 0.300 1 93 67 44 VAL H H 8.123 0.020 1 94 67 44 VAL C C 176.881 0.300 1 95 67 44 VAL CA C 60.292 0.300 1 96 67 44 VAL CB C 32.334 0.300 1 97 67 44 VAL N N 123.528 0.300 1 98 68 45 THR H H 8.785 0.020 1 99 68 45 THR C C 173.360 0.300 1 100 68 45 THR CA C 60.408 0.300 1 101 68 45 THR CB C 69.507 0.300 1 102 68 45 THR N N 121.589 0.300 1 103 69 46 GLY H H 8.133 0.020 1 104 69 46 GLY C C 173.360 0.300 1 105 69 46 GLY CA C 43.920 0.300 1 106 69 46 GLY N N 110.148 0.300 1 107 70 47 ASN H H 7.813 0.020 1 108 70 47 ASN C C 172.966 0.300 1 109 70 47 ASN CA C 51.923 0.300 1 110 70 47 ASN CB C 38.722 0.300 1 111 70 47 ASN N N 119.011 0.300 1 112 71 48 SER H H 8.164 0.020 1 113 71 48 SER CA C 54.464 0.300 1 114 71 48 SER CB C 62.547 0.300 1 115 71 48 SER N N 113.215 0.300 1 116 72 49 PRO C C 175.211 0.300 1 117 72 49 PRO CA C 62.225 0.300 1 118 72 49 PRO CB C 31.598 0.300 1 119 73 50 ARG H H 8.306 0.020 1 120 73 50 ARG C C 175.405 0.300 1 121 73 50 ARG CA C 55.218 0.300 1 122 73 50 ARG CB C 29.835 0.300 1 123 73 50 ARG N N 119.972 0.300 1 124 74 51 LEU H H 8.462 0.020 1 125 74 51 LEU C C 174.858 0.300 1 126 74 51 LEU CA C 53.018 0.300 1 127 74 51 LEU CB C 45.158 0.300 1 128 74 51 LEU N N 124.381 0.300 1 129 75 52 ASP H H 8.573 0.020 1 130 75 52 ASP C C 175.911 0.300 1 131 75 52 ASP CA C 54.079 0.300 1 132 75 52 ASP CB C 40.716 0.300 1 133 75 52 ASP N N 123.658 0.300 1 134 76 53 VAL H H 7.797 0.020 1 135 76 53 VAL C C 175.539 0.300 1 136 76 53 VAL CA C 61.452 0.300 1 137 76 53 VAL CB C 32.387 0.300 1 138 76 53 VAL N N 118.985 0.300 1 139 77 54 ALA H H 8.279 0.020 1 140 77 54 ALA C C 177.508 0.300 1 141 77 54 ALA CA C 51.790 0.300 1 142 77 54 ALA CB C 18.308 0.300 1 143 77 54 ALA N N 127.012 0.300 1 144 78 55 LEU H H 8.125 0.020 1 145 78 55 LEU C C 177.097 0.300 1 146 78 55 LEU CA C 54.718 0.300 1 147 78 55 LEU CB C 41.547 0.300 1 148 78 55 LEU N N 121.532 0.300 1 149 79 56 ASP H H 8.243 0.020 1 150 79 56 ASP C C 176.411 0.300 1 151 79 56 ASP CA C 53.818 0.300 1 152 79 56 ASP CB C 40.578 0.300 1 153 79 56 ASP N N 120.673 0.300 1 154 80 57 GLU H H 8.349 0.020 1 155 80 57 GLU C C 176.750 0.300 1 156 80 57 GLU CA C 56.225 0.300 1 157 80 57 GLU CB C 29.269 0.300 1 158 80 57 GLU N N 121.461 0.300 1 159 81 58 SER H H 8.331 0.020 1 160 81 58 SER C C 175.153 0.300 1 161 81 58 SER CA C 58.601 0.300 1 162 81 58 SER CB C 63.577 0.300 1 163 81 58 SER N N 116.218 0.300 1 164 82 59 GLY H H 8.233 0.020 1 165 82 59 GLY C C 173.669 0.300 1 166 82 59 GLY CA C 44.916 0.300 1 167 82 59 GLY N N 110.238 0.300 1 168 83 60 ASP H H 8.068 0.020 1 169 83 60 ASP C C 175.991 0.300 1 170 83 60 ASP CA C 53.798 0.300 1 171 83 60 ASP CB C 40.575 0.300 1 172 83 60 ASP N N 120.181 0.300 1 173 84 61 PHE H H 8.135 0.020 1 174 84 61 PHE C C 175.740 0.300 1 175 84 61 PHE CA C 57.300 0.300 1 176 84 61 PHE CB C 38.632 0.300 1 177 84 61 PHE N N 120.691 0.300 1 178 85 62 SER H H 8.170 0.020 1 179 85 62 SER C C 174.120 0.300 1 180 85 62 SER CA C 58.098 0.300 1 181 85 62 SER CB C 63.420 0.300 1 182 85 62 SER N N 117.126 0.300 1 183 86 63 LEU H H 8.116 0.020 1 184 86 63 LEU C C 177.066 0.300 1 185 86 63 LEU CA C 54.733 0.300 1 186 86 63 LEU CB C 41.334 0.300 1 187 86 63 LEU N N 123.856 0.300 1 188 87 64 VAL H H 7.986 0.020 1 189 87 64 VAL C C 175.990 0.300 1 190 87 64 VAL CA C 61.764 0.300 1 191 87 64 VAL CB C 32.274 0.300 1 192 87 64 VAL N N 120.719 0.300 1 193 88 65 GLU H H 8.397 0.020 1 194 88 65 GLU C C 176.367 0.300 1 195 88 65 GLU CA C 55.956 0.300 1 196 88 65 GLU CB C 29.539 0.300 1 197 88 65 GLU N N 124.694 0.300 1 198 89 66 GLU H H 8.386 0.020 1 199 89 66 GLU C C 176.096 0.300 1 200 89 66 GLU CA C 56.138 0.300 1 201 89 66 GLU CB C 29.643 0.300 1 202 89 66 GLU N N 122.073 0.300 1 203 90 67 ASP H H 8.364 0.020 1 204 90 67 ASP C C 176.205 0.300 1 205 90 67 ASP CA C 53.880 0.300 1 206 90 67 ASP CB C 40.618 0.300 1 207 90 67 ASP N N 121.143 0.300 1 208 91 68 GLY H H 8.005 0.020 1 209 91 68 GLY C C 171.151 0.300 1 210 91 68 GLY CA C 44.097 0.300 1 211 91 68 GLY N N 108.649 0.300 1 212 126 74 LYS C C 176.810 0.300 1 213 126 74 LYS CA C 55.359 0.300 1 214 127 75 THR H H 8.022 0.020 1 215 127 75 THR C C 174.516 0.300 1 216 127 75 THR CA C 61.162 0.300 1 217 127 75 THR N N 113.153 0.300 1 218 128 76 GLY H H 8.557 0.020 1 219 128 76 GLY C C 173.098 0.300 1 220 128 76 GLY CA C 44.924 0.300 1 221 128 76 GLY N N 110.208 0.300 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . 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 3 3 ALA H H 8.173 0.020 1 2 3 3 ALA C C 177.736 0.300 1 3 3 3 ALA CA C 51.758 0.300 1 4 3 3 ALA CB C 18.802 0.300 1 5 3 3 ALA N N 123.713 0.300 1 6 4 4 LEU H H 8.018 0.020 1 7 4 4 LEU C C 176.959 0.300 1 8 4 4 LEU CA C 54.972 0.300 1 9 4 4 LEU CB C 41.131 0.300 1 10 4 4 LEU N N 120.717 0.300 1 11 5 5 TRP H H 7.686 0.020 1 12 5 5 TRP C C 175.616 0.300 1 13 5 5 TRP CA C 56.262 0.300 1 14 5 5 TRP CB C 28.913 0.300 1 15 5 5 TRP N N 119.169 0.300 1 16 6 6 ASP H H 8.035 0.020 1 17 6 6 ASP C C 175.405 0.300 1 18 6 6 ASP CA C 53.675 0.300 1 19 6 6 ASP CB C 40.500 0.300 1 20 6 6 ASP N N 121.534 0.300 1 21 7 7 VAL H H 7.808 0.020 1 22 7 7 VAL CA C 59.256 0.300 1 23 7 7 VAL CB C 32.146 0.300 1 24 7 7 VAL N N 120.808 0.300 1 25 8 8 PRO C C 176.219 0.300 1 26 8 8 PRO CA C 62.528 0.300 1 27 8 8 PRO CB C 30.906 0.300 1 28 9 9 ALA H H 8.219 0.020 1 29 9 9 ALA C C 175.661 0.300 1 30 9 9 ALA CA C 49.868 0.300 1 31 9 9 ALA CB C 17.299 0.300 1 32 9 9 ALA N N 125.107 0.300 1 33 10 10 PRO CA C 62.741 0.300 1 34 10 10 PRO CB C 31.043 0.300 1 35 11 11 LYS H H 8.293 0.020 1 36 11 11 LYS C C 176.771 0.300 1 37 11 11 LYS CA C 55.600 0.300 1 38 11 11 LYS CB C 31.811 0.300 1 39 11 11 LYS N N 121.084 0.300 1 40 12 12 GLU C C 176.042 0.300 1 41 12 12 GLU CA C 55.904 0.300 1 42 12 12 GLU CB C 29.342 0.300 1 43 13 13 VAL H H 8.169 0.020 1 44 13 13 VAL CA C 61.797 0.300 1 45 13 13 VAL CB C 32.245 0.300 1 46 13 13 VAL N N 122.225 0.300 1 47 14 14 LYS H H 8.378 0.020 1 48 14 14 LYS C C 176.160 0.300 1 49 14 14 LYS CA C 55.355 0.300 1 50 14 14 LYS CB C 32.111 0.300 1 51 14 14 LYS N N 125.662 0.300 1 52 15 15 LYS H H 8.375 0.020 1 53 15 15 LYS C C 177.211 0.300 1 54 15 15 LYS CA C 56.070 0.300 1 55 15 15 LYS CB C 32.092 0.300 1 56 15 15 LYS N N 123.246 0.300 1 57 16 16 GLY H H 8.308 0.020 1 58 16 16 GLY C C 173.235 0.300 1 59 16 16 GLY CA C 44.482 0.300 1 60 16 16 GLY N N 109.788 0.300 1 61 17 17 GLU H H 7.885 0.020 1 62 17 17 GLU C C 177.188 0.300 1 63 17 17 GLU CA C 56.254 0.300 1 64 17 17 GLU CB C 29.419 0.300 1 65 17 17 GLU N N 120.508 0.300 1 66 18 18 THR H H 8.353 0.020 1 67 18 18 THR C C 174.309 0.300 1 68 18 18 THR CA C 60.198 0.300 1 69 18 18 THR CB C 68.722 0.300 1 70 18 18 THR N N 113.847 0.300 1 71 19 19 THR H H 7.740 0.020 1 72 19 19 THR C C 175.876 0.300 1 73 19 19 THR CA C 62.060 0.300 1 74 19 19 THR CB C 69.194 0.300 1 75 19 19 THR N N 115.918 0.300 1 76 20 20 ASP H H 8.787 0.020 1 77 20 20 ASP C C 176.868 0.300 1 78 20 20 ASP CA C 55.096 0.300 1 79 20 20 ASP CB C 40.087 0.300 1 80 20 20 ASP N N 126.086 0.300 1 81 21 21 GLY H H 8.716 0.020 1 82 21 21 GLY C C 171.612 0.300 1 83 21 21 GLY CA C 44.831 0.300 1 84 21 21 GLY N N 106.752 0.300 1 85 22 22 VAL H H 8.647 0.020 1 86 22 22 VAL C C 174.152 0.300 1 87 22 22 VAL CA C 59.112 0.300 1 88 22 22 VAL CB C 33.701 0.300 1 89 22 22 VAL N N 118.561 0.300 1 90 23 23 TYR H H 9.397 0.020 1 91 23 23 TYR C C 174.948 0.300 1 92 23 23 TYR CA C 56.358 0.300 1 93 23 23 TYR CB C 41.589 0.300 1 94 23 23 TYR N N 126.093 0.300 1 95 24 24 ARG H H 9.148 0.020 1 96 24 24 ARG C C 175.221 0.300 1 97 24 24 ARG CA C 55.742 0.300 1 98 24 24 ARG CB C 31.801 0.300 1 99 24 24 ARG N N 118.202 0.300 1 100 25 25 VAL H H 9.197 0.020 1 101 25 25 VAL C C 174.152 0.300 1 102 25 25 VAL CA C 61.824 0.300 1 103 25 25 VAL CB C 30.234 0.300 1 104 25 25 VAL N N 123.465 0.300 1 105 26 26 MET H H 8.977 0.020 1 106 26 26 MET C C 175.634 0.300 1 107 26 26 MET CA C 51.531 0.300 1 108 26 26 MET CB C 32.274 0.300 1 109 26 26 MET N N 125.426 0.300 1 110 27 27 THR H H 8.867 0.020 1 111 27 27 THR C C 173.515 0.300 1 112 27 27 THR CA C 59.382 0.300 1 113 27 27 THR CB C 70.645 0.300 1 114 27 27 THR N N 111.767 0.300 1 115 28 28 ARG H H 8.576 0.020 1 116 28 28 ARG C C 175.602 0.300 1 117 28 28 ARG CA C 56.036 0.300 1 118 28 28 ARG CB C 30.378 0.300 1 119 28 28 ARG N N 125.840 0.300 1 120 29 29 ARG H H 8.212 0.020 1 121 29 29 ARG C C 174.446 0.300 1 122 29 29 ARG CA C 54.311 0.300 1 123 29 29 ARG CB C 30.846 0.300 1 124 29 29 ARG N N 124.843 0.300 1 125 31 31 LEU H H 7.946 0.020 1 126 31 31 LEU C C 176.868 0.300 1 127 31 31 LEU CA C 54.513 0.300 1 128 31 31 LEU CB C 40.729 0.300 1 129 31 31 LEU N N 116.501 0.300 1 130 32 32 GLY H H 7.679 0.020 1 131 32 32 GLY C C 172.993 0.300 1 132 32 32 GLY CA C 44.546 0.300 1 133 32 32 GLY N N 108.041 0.300 1 134 33 33 SER H H 8.510 0.020 1 135 33 33 SER C C 173.783 0.300 1 136 33 33 SER CA C 57.472 0.300 1 137 33 33 SER N N 116.689 0.300 1 138 34 34 THR H H 8.713 0.020 1 139 34 34 THR C C 172.381 0.300 1 140 34 34 THR CA C 60.611 0.300 1 141 34 34 THR CB C 71.381 0.300 1 142 34 34 THR N N 117.408 0.300 1 143 35 35 GLN H H 8.869 0.020 1 144 35 35 GLN C C 175.474 0.300 1 145 35 35 GLN CA C 55.950 0.300 1 146 35 35 GLN CB C 28.968 0.300 1 147 35 35 GLN N N 127.271 0.300 1 148 36 36 VAL H H 8.934 0.020 1 149 36 36 VAL C C 175.474 0.300 1 150 36 36 VAL CA C 60.855 0.300 1 151 36 36 VAL CB C 31.891 0.300 1 152 36 36 VAL N N 120.629 0.300 1 153 37 37 GLY H H 7.953 0.020 1 154 37 37 GLY C C 170.162 0.300 1 155 37 37 GLY CA C 45.987 0.300 1 156 37 37 GLY N N 109.844 0.300 1 157 38 38 VAL H H 8.953 0.020 1 158 38 38 VAL C C 174.446 0.300 1 159 38 38 VAL CA C 59.997 0.300 1 160 38 38 VAL CB C 36.556 0.300 1 161 38 38 VAL N N 123.193 0.300 1 162 39 39 GLY H H 9.114 0.020 1 163 39 39 GLY C C 172.115 0.300 1 164 39 39 GLY CA C 46.253 0.300 1 165 39 39 GLY N N 110.036 0.300 1 166 40 40 VAL H H 8.651 0.020 1 167 40 40 VAL C C 175.094 0.300 1 168 40 40 VAL CA C 60.405 0.300 1 169 40 40 VAL CB C 35.705 0.300 1 170 40 40 VAL N N 116.528 0.300 1 171 41 41 MET H H 9.812 0.020 1 172 41 41 MET C C 175.144 0.300 1 173 41 41 MET CA C 52.997 0.300 1 174 41 41 MET CB C 34.603 0.300 1 175 41 41 MET N N 133.312 0.300 1 176 42 42 GLN H H 9.269 0.020 1 177 42 42 GLN C C 174.648 0.300 1 178 42 42 GLN CA C 56.187 0.300 1 179 42 42 GLN CB C 31.908 0.300 1 180 42 42 GLN N N 128.836 0.300 1 181 43 43 GLU H H 9.434 0.020 1 182 43 43 GLU C C 175.954 0.300 1 183 43 43 GLU CA C 56.946 0.300 1 184 43 43 GLU CB C 27.316 0.300 1 185 43 43 GLU N N 125.131 0.300 1 186 44 44 GLY H H 9.124 0.020 1 187 44 44 GLY C C 172.846 0.300 1 188 44 44 GLY CA C 45.044 0.300 1 189 44 44 GLY N N 104.132 0.300 1 190 45 45 VAL H H 7.569 0.020 1 191 45 45 VAL C C 174.979 0.300 1 192 45 45 VAL CA C 60.490 0.300 1 193 45 45 VAL CB C 34.327 0.300 1 194 45 45 VAL N N 120.440 0.300 1 195 46 46 PHE H H 7.936 0.020 1 196 46 46 PHE C C 173.751 0.300 1 197 46 46 PHE CA C 56.890 0.300 1 198 46 46 PHE CB C 40.252 0.300 1 199 46 46 PHE N N 125.974 0.300 1 200 47 47 HIS H H 8.482 0.020 1 201 47 47 HIS C C 173.829 0.300 1 202 47 47 HIS CA C 55.241 0.300 1 203 47 47 HIS CB C 29.494 0.300 1 204 47 47 HIS N N 126.875 0.300 1 205 48 48 THR H H 8.957 0.020 1 206 48 48 THR C C 172.759 0.300 1 207 48 48 THR CA C 59.845 0.300 1 208 48 48 THR CB C 67.260 0.300 1 209 48 48 THR N N 117.382 0.300 1 210 49 49 MET H H 8.515 0.020 1 211 49 49 MET C C 177.694 0.300 1 212 49 49 MET CA C 54.165 0.300 1 213 49 49 MET CB C 32.378 0.300 1 214 49 49 MET N N 116.945 0.300 1 215 50 50 TRP H H 7.329 0.020 1 216 50 50 TRP C C 178.673 0.300 1 217 50 50 TRP CA C 60.667 0.300 1 218 50 50 TRP CB C 27.015 0.300 1 219 50 50 TRP N N 124.565 0.300 1 220 51 51 HIS H H 9.806 0.020 1 221 51 51 HIS C C 175.040 0.300 1 222 51 51 HIS CA C 58.707 0.300 1 223 51 51 HIS CB C 27.165 0.300 1 224 51 51 HIS N N 112.642 0.300 1 225 52 52 VAL H H 6.972 0.020 1 226 52 52 VAL C C 175.543 0.300 1 227 52 52 VAL CA C 64.913 0.300 1 228 52 52 VAL CB C 30.796 0.300 1 229 52 52 VAL N N 119.612 0.300 1 230 53 53 THR H H 6.321 0.020 1 231 53 53 THR C C 175.840 0.300 1 232 53 53 THR CA C 59.992 0.300 1 233 53 53 THR CB C 70.021 0.300 1 234 53 53 THR N N 101.286 0.300 1 235 54 54 LYS H H 9.106 0.020 1 236 54 54 LYS C C 175.497 0.300 1 237 54 54 LYS CA C 55.755 0.300 1 238 54 54 LYS CB C 28.442 0.300 1 239 54 54 LYS N N 121.632 0.300 1 240 55 55 GLY H H 6.984 0.020 1 241 55 55 GLY C C 172.869 0.300 1 242 55 55 GLY CA C 44.665 0.300 1 243 55 55 GLY N N 100.870 0.300 1 244 56 56 ALA H H 7.311 0.020 1 245 56 56 ALA C C 177.765 0.300 1 246 56 56 ALA CA C 51.607 0.300 1 247 56 56 ALA CB C 18.823 0.300 1 248 56 56 ALA N N 120.979 0.300 1 249 57 57 ALA H H 8.519 0.020 1 250 57 57 ALA C C 175.725 0.300 1 251 57 57 ALA CA C 52.698 0.300 1 252 57 57 ALA CB C 18.231 0.300 1 253 57 57 ALA N N 123.052 0.300 1 254 58 58 LEU H H 8.133 0.020 1 255 58 58 LEU C C 176.182 0.300 1 256 58 58 LEU CA C 51.821 0.300 1 257 58 58 LEU CB C 45.190 0.300 1 258 58 58 LEU N N 116.439 0.300 1 259 59 59 ARG H H 8.564 0.020 1 260 59 59 ARG C C 175.223 0.300 1 261 59 59 ARG CA C 55.206 0.300 1 262 59 59 ARG CB C 30.020 0.300 1 263 59 59 ARG N N 121.762 0.300 1 264 60 60 SER H H 7.938 0.020 1 265 60 60 SER C C 175.268 0.300 1 266 60 60 SER CA C 55.401 0.300 1 267 60 60 SER CB C 62.925 0.300 1 268 60 60 SER N N 116.959 0.300 1 269 61 61 GLY H H 9.289 0.020 1 270 61 61 GLY C C 174.908 0.300 1 271 61 61 GLY CA C 46.554 0.300 1 272 61 61 GLY N N 117.752 0.300 1 273 62 62 GLU H H 8.930 0.020 1 274 62 62 GLU C C 176.594 0.300 1 275 62 62 GLU CA C 55.885 0.300 1 276 62 62 GLU N N 125.178 0.300 1 277 63 63 GLY H H 7.911 0.020 1 278 63 63 GLY C C 172.206 0.300 1 279 63 63 GLY CA C 43.934 0.300 1 280 63 63 GLY N N 107.406 0.300 1 281 64 64 ARG H H 8.386 0.020 1 282 64 64 ARG C C 174.837 0.300 1 283 64 64 ARG CA C 54.565 0.300 1 284 64 64 ARG CB C 32.479 0.300 1 285 64 64 ARG N N 121.258 0.300 1 286 65 65 LEU H H 9.566 0.020 1 287 65 65 LEU C C 175.026 0.300 1 288 65 65 LEU CA C 53.299 0.300 1 289 65 65 LEU CB C 41.218 0.300 1 290 65 65 LEU N N 125.888 0.300 1 291 66 66 ASP H H 8.605 0.020 1 292 66 66 ASP CA C 51.708 0.300 1 293 66 66 ASP CB C 41.063 0.300 1 294 66 66 ASP N N 123.304 0.300 1 295 67 67 PRO C C 174.696 0.300 1 296 67 67 PRO CA C 62.606 0.300 1 297 67 67 PRO CB C 29.953 0.300 1 298 68 68 TYR H H 9.605 0.020 1 299 68 68 TYR C C 174.363 0.300 1 300 68 68 TYR CA C 58.674 0.300 1 301 68 68 TYR CB C 41.576 0.300 1 302 68 68 TYR N N 124.726 0.300 1 303 69 69 TRP H H 7.981 0.020 1 304 69 69 TRP C C 173.280 0.300 1 305 69 69 TRP CA C 56.177 0.300 1 306 69 69 TRP CB C 30.846 0.300 1 307 69 69 TRP N N 120.460 0.300 1 308 70 70 GLY H H 6.965 0.020 1 309 70 70 GLY C C 170.075 0.300 1 310 70 70 GLY CA C 45.289 0.300 1 311 70 70 GLY N N 111.266 0.300 1 312 71 71 ASP H H 7.818 0.020 1 313 71 71 ASP C C 175.758 0.300 1 314 71 71 ASP CA C 53.041 0.300 1 315 71 71 ASP CB C 44.141 0.300 1 316 71 71 ASP N N 117.500 0.300 1 317 72 72 VAL H H 8.089 0.020 1 318 72 72 VAL C C 176.365 0.300 1 319 72 72 VAL CA C 65.040 0.300 1 320 72 72 VAL CB C 30.846 0.300 1 321 72 72 VAL N N 126.069 0.300 1 322 73 73 LYS H H 7.573 0.020 1 323 73 73 LYS C C 178.628 0.300 1 324 73 73 LYS CA C 58.835 0.300 1 325 73 73 LYS CB C 31.147 0.300 1 326 73 73 LYS N N 120.957 0.300 1 327 74 74 GLN H H 7.708 0.020 1 328 74 74 GLN C C 175.314 0.300 1 329 74 74 GLN CA C 56.599 0.300 1 330 74 74 GLN CB C 28.882 0.300 1 331 74 74 GLN N N 112.406 0.300 1 332 75 75 ASP H H 7.845 0.020 1 333 75 75 ASP C C 175.314 0.300 1 334 75 75 ASP CA C 54.279 0.300 1 335 75 75 ASP CB C 37.758 0.300 1 336 75 75 ASP N N 115.390 0.300 1 337 76 76 LEU H H 7.696 0.020 1 338 76 76 LEU C C 174.697 0.300 1 339 76 76 LEU CA C 53.591 0.300 1 340 76 76 LEU CB C 48.275 0.300 1 341 76 76 LEU N N 116.147 0.300 1 342 77 77 VAL H H 8.682 0.020 1 343 77 77 VAL C C 171.475 0.300 1 344 77 77 VAL CA C 59.710 0.300 1 345 77 77 VAL CB C 35.279 0.300 1 346 77 77 VAL N N 118.085 0.300 1 347 78 78 SER H H 10.127 0.020 1 348 78 78 SER C C 173.966 0.300 1 349 78 78 SER CA C 56.515 0.300 1 350 78 78 SER CB C 67.432 0.300 1 351 78 78 SER N N 120.950 0.300 1 352 79 79 TYR H H 9.496 0.020 1 353 79 79 TYR C C 176.434 0.300 1 354 79 79 TYR CA C 57.348 0.300 1 355 79 79 TYR CB C 40.688 0.300 1 356 79 79 TYR N N 121.038 0.300 1 357 80 80 CYS H H 8.193 0.020 1 358 80 80 CYS C C 173.189 0.300 1 359 80 80 CYS CA C 61.295 0.300 1 360 80 80 CYS CB C 26.414 0.300 1 361 80 80 CYS N N 111.032 0.300 1 362 81 81 GLY H H 7.207 0.020 1 363 81 81 GLY C C 167.892 0.300 1 364 81 81 GLY CA C 43.955 0.300 1 365 81 81 GLY N N 107.177 0.300 1 366 82 82 PRO C C 172.686 0.300 1 367 82 82 PRO CA C 61.608 0.300 1 368 82 82 PRO CB C 31.753 0.300 1 369 83 83 TRP H H 7.773 0.020 1 370 83 83 TRP C C 177.883 0.300 1 371 83 83 TRP CA C 59.169 0.300 1 372 83 83 TRP CB C 28.694 0.300 1 373 83 83 TRP N N 117.369 0.300 1 374 84 84 LYS H H 10.809 0.020 1 375 84 84 LYS C C 177.097 0.300 1 376 84 84 LYS CA C 54.343 0.300 1 377 84 84 LYS CB C 33.349 0.300 1 378 84 84 LYS N N 127.696 0.300 1 379 85 85 LEU H H 5.681 0.020 1 380 85 85 LEU C C 175.047 0.300 1 381 85 85 LEU CA C 54.622 0.300 1 382 85 85 LEU CB C 38.659 0.300 1 383 85 85 LEU N N 117.943 0.300 1 384 86 86 ASP C C 176.353 0.300 1 385 86 86 ASP CA C 54.523 0.300 1 386 86 86 ASP CB C 41.528 0.300 1 387 87 87 ALA H H 8.257 0.020 1 388 87 87 ALA C C 175.040 0.300 1 389 87 87 ALA CA C 52.404 0.300 1 390 87 87 ALA CB C 18.977 0.300 1 391 87 87 ALA N N 125.637 0.300 1 392 88 88 ALA H H 8.166 0.020 1 393 88 88 ALA C C 178.549 0.300 1 394 88 88 ALA CA C 49.303 0.300 1 395 88 88 ALA CB C 21.982 0.300 1 396 88 88 ALA N N 120.348 0.300 1 397 89 89 TRP H H 9.328 0.020 1 398 89 89 TRP C C 176.878 0.300 1 399 89 89 TRP CA C 56.646 0.300 1 400 89 89 TRP CB C 27.579 0.300 1 401 89 89 TRP N N 123.248 0.300 1 402 90 90 ASP H H 8.570 0.020 1 403 90 90 ASP C C 176.183 0.300 1 404 90 90 ASP CA C 53.944 0.300 1 405 90 90 ASP CB C 39.260 0.300 1 406 90 90 ASP N N 129.867 0.300 1 407 91 91 GLY H H 8.027 0.020 1 408 91 91 GLY C C 173.328 0.300 1 409 91 91 GLY CA C 43.932 0.300 1 410 91 91 GLY N N 108.782 0.300 1 411 92 92 LEU H H 7.906 0.020 1 412 92 92 LEU C C 177.097 0.300 1 413 92 92 LEU CA C 55.482 0.300 1 414 92 92 LEU CB C 46.068 0.300 1 415 92 92 LEU N N 118.969 0.300 1 416 93 93 SER H H 9.802 0.020 1 417 93 93 SER C C 174.606 0.300 1 418 93 93 SER CA C 59.132 0.300 1 419 93 93 SER CB C 64.253 0.300 1 420 93 93 SER N N 117.457 0.300 1 421 94 94 GLU H H 8.763 0.020 1 422 94 94 GLU C C 175.593 0.300 1 423 94 94 GLU CA C 57.399 0.300 1 424 94 94 GLU CB C 30.170 0.300 1 425 94 94 GLU N N 118.840 0.300 1 426 95 95 VAL H H 8.907 0.020 1 427 95 95 VAL C C 174.811 0.300 1 428 95 95 VAL CA C 58.170 0.300 1 429 95 95 VAL CB C 33.927 0.300 1 430 95 95 VAL N N 111.472 0.300 1 431 96 96 GLN H H 8.693 0.020 1 432 96 96 GLN C C 175.428 0.300 1 433 96 96 GLN CA C 53.179 0.300 1 434 96 96 GLN CB C 29.795 0.300 1 435 96 96 GLN N N 115.175 0.300 1 436 97 97 LEU H H 9.091 0.020 1 437 97 97 LEU C C 173.699 0.300 1 438 97 97 LEU CA C 53.099 0.300 1 439 97 97 LEU CB C 43.481 0.300 1 440 97 97 LEU N N 123.622 0.300 1 441 98 98 LEU H H 8.701 0.020 1 442 98 98 LEU C C 173.669 0.300 1 443 98 98 LEU CA C 53.081 0.300 1 444 98 98 LEU CB C 39.754 0.300 1 445 98 98 LEU N N 133.300 0.300 1 446 99 99 ALA H H 7.929 0.020 1 447 99 99 ALA C C 177.411 0.300 1 448 99 99 ALA CA C 51.252 0.300 1 449 99 99 ALA CB C 17.549 0.300 1 450 99 99 ALA N N 122.320 0.300 1 451 100 100 VAL H H 6.963 0.020 1 452 100 100 VAL C C 171.080 0.300 1 453 100 100 VAL CA C 58.432 0.300 1 454 100 100 VAL CB C 29.795 0.300 1 455 100 100 VAL N N 121.427 0.300 1 456 102 102 PRO C C 178.379 0.300 1 457 102 102 PRO CA C 62.612 0.300 1 458 102 102 PRO CB C 30.847 0.300 1 459 103 103 GLY H H 8.909 0.020 1 460 103 103 GLY C C 173.189 0.300 1 461 103 103 GLY CA C 45.570 0.300 1 462 103 103 GLY N N 111.601 0.300 1 463 104 104 GLU H H 7.622 0.020 1 464 104 104 GLU C C 175.314 0.300 1 465 104 104 GLU CA C 53.558 0.300 1 466 104 104 GLU CB C 33.040 0.300 1 467 104 104 GLU N N 118.171 0.300 1 468 105 105 ARG H H 8.319 0.020 1 469 105 105 ARG C C 174.971 0.300 1 470 105 105 ARG CA C 55.376 0.300 1 471 105 105 ARG CB C 29.795 0.300 1 472 105 105 ARG N N 119.787 0.300 1 473 106 106 ALA H H 8.095 0.020 1 474 106 106 ALA C C 177.416 0.300 1 475 106 106 ALA CA C 51.514 0.300 1 476 106 106 ALA CB C 18.451 0.300 1 477 106 106 ALA N N 122.210 0.300 1 478 107 107 LYS H H 8.729 0.020 1 479 107 107 LYS C C 172.972 0.300 1 480 107 107 LYS CA C 54.836 0.300 1 481 107 107 LYS CB C 35.071 0.300 1 482 107 107 LYS N N 121.868 0.300 1 483 108 108 ASN H H 8.296 0.020 1 484 108 108 ASN C C 174.194 0.300 1 485 108 108 ASN CA C 52.644 0.300 1 486 108 108 ASN CB C 38.659 0.300 1 487 108 108 ASN N N 121.714 0.300 1 488 109 109 ILE H H 8.928 0.020 1 489 109 109 ILE C C 173.787 0.300 1 490 109 109 ILE CA C 59.167 0.300 1 491 109 109 ILE CB C 39.937 0.300 1 492 109 109 ILE N N 122.188 0.300 1 493 110 110 GLN H H 9.159 0.020 1 494 110 110 GLN C C 173.349 0.300 1 495 110 110 GLN CA C 54.136 0.300 1 496 110 110 GLN CB C 30.020 0.300 1 497 110 110 GLN N N 129.220 0.300 1 498 111 111 THR H H 8.803 0.020 1 499 111 111 THR C C 170.658 0.300 1 500 111 111 THR CA C 60.453 0.300 1 501 111 111 THR CB C 69.536 0.300 1 502 111 111 THR N N 117.063 0.300 1 503 112 112 LEU H H 8.077 0.020 1 504 112 112 LEU C C 174.008 0.300 1 505 112 112 LEU CA C 50.867 0.300 1 506 112 112 LEU CB C 41.807 0.300 1 507 112 112 LEU N N 128.614 0.300 1 508 113 113 PRO C C 177.256 0.300 1 509 113 113 PRO CA C 62.870 0.300 1 510 113 113 PRO CB C 30.367 0.300 1 511 114 114 GLY H H 8.365 0.020 1 512 114 114 GLY C C 172.617 0.300 1 513 114 114 GLY CA C 42.911 0.300 1 514 114 114 GLY N N 106.194 0.300 1 515 115 115 ILE H H 8.436 0.020 1 516 115 115 ILE C C 175.593 0.300 1 517 115 115 ILE CA C 58.971 0.300 1 518 115 115 ILE N N 115.481 0.300 1 519 116 116 PHE H H 9.478 0.020 1 520 116 116 PHE C C 174.814 0.300 1 521 116 116 PHE CA C 51.913 0.300 1 522 116 116 PHE N N 123.084 0.300 1 523 117 117 LYS H H 9.329 0.020 1 524 117 117 LYS C C 176.502 0.300 1 525 117 117 LYS CA C 55.138 0.300 1 526 117 117 LYS CB C 30.546 0.300 1 527 117 117 LYS N N 125.147 0.300 1 528 118 118 THR H H 7.902 0.020 1 529 118 118 THR C C 174.926 0.300 1 530 118 118 THR CA C 59.153 0.300 1 531 118 118 THR CB C 72.700 0.300 1 532 118 118 THR N N 115.280 0.300 1 533 119 119 LYS H H 7.866 0.020 1 534 119 119 LYS C C 176.502 0.300 1 535 119 119 LYS CA C 57.862 0.300 1 536 119 119 LYS CB C 30.748 0.300 1 537 119 119 LYS N N 128.672 0.300 1 538 120 120 ASP H H 7.883 0.020 1 539 120 120 ASP C C 175.131 0.300 1 540 120 120 ASP CA C 53.864 0.300 1 541 120 120 ASP CB C 41.812 0.300 1 542 120 120 ASP N N 116.723 0.300 1 543 121 121 GLY H H 7.397 0.020 1 544 121 121 GLY C C 173.586 0.300 1 545 121 121 GLY CA C 43.906 0.300 1 546 121 121 GLY N N 108.202 0.300 1 547 122 122 ASP H H 8.601 0.020 1 548 122 122 ASP C C 176.807 0.300 1 549 122 122 ASP CA C 53.681 0.300 1 550 122 122 ASP CB C 41.048 0.300 1 551 122 122 ASP N N 122.545 0.300 1 552 123 123 ILE H H 9.302 0.020 1 553 123 123 ILE C C 175.543 0.300 1 554 123 123 ILE CA C 59.881 0.300 1 555 123 123 ILE CB C 41.479 0.300 1 556 123 123 ILE N N 123.191 0.300 1 557 124 124 GLY H H 9.367 0.020 1 558 124 124 GLY C C 171.576 0.300 1 559 124 124 GLY CA C 46.425 0.300 1 560 124 124 GLY N N 112.404 0.300 1 561 125 125 ALA H H 7.576 0.020 1 562 125 125 ALA CA C 50.148 0.300 1 563 125 125 ALA CB C 19.049 0.300 1 564 125 125 ALA N N 123.499 0.300 1 565 126 126 VAL H H 8.396 0.020 1 566 126 126 VAL C C 175.451 0.300 1 567 126 126 VAL CA C 62.369 0.300 1 568 126 126 VAL N N 119.777 0.300 1 569 127 127 ALA H H 8.409 0.020 1 570 127 127 ALA C C 175.040 0.300 1 571 127 127 ALA CA C 50.074 0.300 1 572 127 127 ALA CB C 17.174 0.300 1 573 127 127 ALA N N 125.008 0.300 1 574 128 128 LEU H H 7.084 0.020 1 575 128 128 LEU C C 175.805 0.300 1 576 128 128 LEU CA C 52.807 0.300 1 577 128 128 LEU CB C 45.247 0.300 1 578 128 128 LEU N N 117.777 0.300 1 579 129 129 ASP H H 9.051 0.020 1 580 129 129 ASP C C 172.516 0.300 1 581 129 129 ASP CA C 54.070 0.300 1 582 129 129 ASP N N 127.448 0.300 1 583 130 130 TYR H H 7.455 0.020 1 584 130 130 TYR C C 173.182 0.300 1 585 130 130 TYR CA C 56.588 0.300 1 586 130 130 TYR CB C 39.447 0.300 1 587 130 130 TYR N N 124.198 0.300 1 588 131 131 PRO C C 176.774 0.300 1 589 131 131 PRO CA C 62.077 0.300 1 590 131 131 PRO CB C 32.797 0.300 1 591 132 132 ALA H H 8.637 0.020 1 592 132 132 ALA C C 177.458 0.300 1 593 132 132 ALA CA C 53.246 0.300 1 594 132 132 ALA CB C 17.219 0.300 1 595 132 132 ALA N N 122.991 0.300 1 596 133 133 GLY H H 9.063 0.020 1 597 133 133 GLY C C 173.806 0.300 1 598 133 133 GLY CA C 44.622 0.300 1 599 133 133 GLY N N 110.636 0.300 1 600 134 134 THR H H 8.033 0.020 1 601 134 134 THR C C 175.954 0.300 1 602 134 134 THR CA C 63.196 0.300 1 603 134 134 THR CB C 68.385 0.300 1 604 134 134 THR N N 114.719 0.300 1 605 135 135 SER H H 8.585 0.020 1 606 135 135 SER C C 172.206 0.300 1 607 135 135 SER CA C 59.789 0.300 1 608 135 135 SER CB C 62.991 0.300 1 609 135 135 SER N N 119.627 0.300 1 610 136 136 GLY H H 9.600 0.020 1 611 136 136 GLY C C 172.732 0.300 1 612 136 136 GLY CA C 43.888 0.300 1 613 136 136 GLY N N 109.399 0.300 1 614 137 137 SER H H 7.659 0.020 1 615 137 137 SER C C 171.930 0.300 1 616 137 137 SER CA C 58.462 0.300 1 617 137 137 SER CB C 62.830 0.300 1 618 137 137 SER N N 115.549 0.300 1 619 138 138 PRO C C 173.607 0.300 1 620 138 138 PRO CA C 62.073 0.300 1 621 138 138 PRO CB C 32.448 0.300 1 622 139 139 ILE H H 8.524 0.020 1 623 139 139 ILE C C 174.696 0.300 1 624 139 139 ILE CA C 59.042 0.300 1 625 139 139 ILE CB C 37.833 0.300 1 626 139 139 ILE N N 120.357 0.300 1 627 140 140 LEU H H 9.935 0.020 1 628 140 140 LEU C C 177.531 0.300 1 629 140 140 LEU CA C 53.356 0.300 1 630 140 140 LEU CB C 45.496 0.300 1 631 140 140 LEU N N 126.863 0.300 1 632 141 141 ASP H H 8.503 0.020 1 633 141 141 ASP C C 177.847 0.300 1 634 141 141 ASP CA C 51.206 0.300 1 635 141 141 ASP CB C 41.980 0.300 1 636 141 141 ASP N N 117.520 0.300 1 637 142 142 LYS H H 7.752 0.020 1 638 142 142 LYS C C 177.912 0.300 1 639 142 142 LYS CA C 57.129 0.300 1 640 142 142 LYS CB C 30.539 0.300 1 641 142 142 LYS N N 114.903 0.300 1 642 143 143 CYS H H 7.789 0.020 1 643 143 143 CYS C C 174.903 0.300 1 644 143 143 CYS CA C 58.508 0.300 1 645 143 143 CYS CB C 26.840 0.300 1 646 143 143 CYS N N 117.215 0.300 1 647 144 144 GLY H H 8.886 0.020 1 648 144 144 GLY C C 173.189 0.300 1 649 144 144 GLY CA C 44.972 0.300 1 650 144 144 GLY N N 109.799 0.300 1 651 145 145 ARG H H 8.199 0.020 1 652 145 145 ARG C C 176.000 0.300 1 653 145 145 ARG CA C 54.656 0.300 1 654 145 145 ARG CB C 29.419 0.300 1 655 145 145 ARG N N 119.087 0.300 1 656 146 146 VAL H H 8.474 0.020 1 657 146 146 VAL C C 176.502 0.300 1 658 146 146 VAL CA C 62.663 0.300 1 659 146 146 VAL CB C 29.945 0.300 1 660 146 146 VAL N N 119.882 0.300 1 661 147 147 ILE H H 9.041 0.020 1 662 147 147 ILE C C 174.171 0.300 1 663 147 147 ILE CA C 60.402 0.300 1 664 147 147 ILE CB C 37.157 0.300 1 665 147 147 ILE N N 122.476 0.300 1 666 148 148 GLY H H 7.389 0.020 1 667 148 148 GLY C C 170.103 0.300 1 668 148 148 GLY CA C 43.927 0.300 1 669 148 148 GLY N N 104.673 0.300 1 670 149 149 LEU H H 9.441 0.020 1 671 149 149 LEU C C 177.031 0.300 1 672 149 149 LEU CA C 52.971 0.300 1 673 149 149 LEU CB C 43.174 0.300 1 674 149 149 LEU N N 116.263 0.300 1 675 150 150 TYR H H 9.158 0.020 1 676 150 150 TYR C C 175.212 0.300 1 677 150 150 TYR CA C 57.475 0.300 1 678 150 150 TYR CB C 41.740 0.300 1 679 150 150 TYR N N 123.288 0.300 1 680 151 151 GLY H H 8.203 0.020 1 681 151 151 GLY C C 172.572 0.300 1 682 151 151 GLY CA C 45.944 0.300 1 683 151 151 GLY N N 111.437 0.300 1 684 152 152 ASN H H 8.444 0.020 1 685 152 152 ASN C C 175.497 0.300 1 686 152 152 ASN CA C 52.417 0.300 1 687 152 152 ASN CB C 39.411 0.300 1 688 152 152 ASN N N 119.900 0.300 1 689 153 153 GLY H H 8.487 0.020 1 690 153 153 GLY C C 171.531 0.300 1 691 153 153 GLY CA C 45.883 0.300 1 692 153 153 GLY N N 113.632 0.300 1 693 154 154 VAL H H 8.823 0.020 1 694 154 154 VAL C C 171.956 0.300 1 695 154 154 VAL CA C 58.967 0.300 1 696 154 154 VAL CB C 35.720 0.300 1 697 154 154 VAL N N 119.116 0.300 1 698 155 155 VAL H H 8.074 0.020 1 699 155 155 VAL C C 177.101 0.300 1 700 155 155 VAL CA C 61.108 0.300 1 701 155 155 VAL CB C 31.898 0.300 1 702 155 155 VAL N N 122.720 0.300 1 703 156 156 ILE CA C 60.717 0.300 1 704 156 156 ILE CB C 37.187 0.300 1 705 157 157 LYS H H 8.351 0.020 1 706 157 157 LYS CA C 59.391 0.300 1 707 157 157 LYS CB C 31.072 0.300 1 708 157 157 LYS N N 119.455 0.300 1 709 158 158 ASN H H 7.752 0.020 1 710 158 158 ASN C C 176.457 0.300 1 711 158 158 ASN CA C 52.422 0.300 1 712 158 158 ASN N N 114.228 0.300 1 713 159 159 GLY H H 8.458 0.020 1 714 159 159 GLY C C 174.217 0.300 1 715 159 159 GLY CA C 44.668 0.300 1 716 159 159 GLY N N 108.207 0.300 1 717 160 160 SER H H 7.751 0.020 1 718 160 160 SER C C 171.363 0.300 1 719 160 160 SER CA C 58.466 0.300 1 720 160 160 SER CB C 63.522 0.300 1 721 160 160 SER N N 116.905 0.300 1 722 161 161 TYR H H 7.743 0.020 1 723 161 161 TYR C C 174.079 0.300 1 724 161 161 TYR CA C 56.855 0.300 1 725 161 161 TYR CB C 41.439 0.300 1 726 161 161 TYR N N 121.722 0.300 1 727 162 162 VAL C C 174.057 0.300 1 728 162 162 VAL CA C 59.961 0.300 1 729 162 162 VAL CB C 33.384 0.300 1 730 163 163 SER H H 8.300 0.020 1 731 163 163 SER C C 175.200 0.300 1 732 163 163 SER CA C 55.420 0.300 1 733 163 163 SER CB C 66.401 0.300 1 734 163 163 SER N N 116.512 0.300 1 735 164 164 ALA H H 9.086 0.020 1 736 164 164 ALA C C 179.876 0.300 1 737 164 164 ALA CA C 52.952 0.300 1 738 164 164 ALA CB C 18.150 0.300 1 739 164 164 ALA N N 129.397 0.300 1 740 165 165 ILE H H 8.461 0.020 1 741 165 165 ILE C C 174.601 0.300 1 742 165 165 ILE CA C 61.606 0.300 1 743 165 165 ILE CB C 35.480 0.300 1 744 165 165 ILE N N 125.048 0.300 1 745 166 166 THR H H 7.421 0.020 1 746 166 166 THR C C 172.736 0.300 1 747 166 166 THR CA C 64.026 0.300 1 748 166 166 THR CB C 68.264 0.300 1 749 166 166 THR N N 122.841 0.300 1 750 167 167 GLN H H 8.711 0.020 1 751 167 167 GLN C C 175.885 0.300 1 752 167 167 GLN CA C 52.027 0.300 1 753 167 167 GLN CB C 32.065 0.300 1 754 167 167 GLN N N 129.131 0.300 1 755 168 168 GLY H H 8.364 0.020 1 756 168 168 GLY C C 172.298 0.300 1 757 168 168 GLY CA C 43.716 0.300 1 758 168 168 GLY N N 115.575 0.300 1 759 169 169 LYS H H 7.976 0.020 1 760 169 169 LYS C C 175.569 0.300 1 761 169 169 LYS CA C 54.667 0.300 1 762 169 169 LYS CB C 32.875 0.300 1 763 169 169 LYS N N 121.537 0.300 1 764 170 170 ARG H H 8.557 0.020 1 765 170 170 ARG C C 176.096 0.300 1 766 170 170 ARG CA C 55.213 0.300 1 767 170 170 ARG CB C 29.810 0.300 1 768 170 170 ARG N N 125.020 0.300 1 769 171 171 GLU H H 8.494 0.020 1 770 171 171 GLU C C 176.228 0.300 1 771 171 171 GLU CA C 55.524 0.300 1 772 171 171 GLU CB C 29.864 0.300 1 773 171 171 GLU N N 125.135 0.300 1 774 172 172 GLU H H 8.491 0.020 1 775 172 172 GLU C C 176.548 0.300 1 776 172 172 GLU CA C 55.816 0.300 1 777 172 172 GLU CB C 29.654 0.300 1 778 172 172 GLU N N 122.306 0.300 1 779 173 173 GLU H H 8.296 0.020 1 780 173 173 GLU C C 176.342 0.300 1 781 173 173 GLU CA C 55.782 0.300 1 782 173 173 GLU CB C 29.599 0.300 1 783 173 173 GLU N N 121.277 0.300 1 784 174 174 THR H H 8.280 0.020 1 785 174 174 THR C C 172.686 0.300 1 786 174 174 THR CA C 59.476 0.300 1 787 174 174 THR CB C 69.331 0.300 1 788 174 174 THR N N 118.652 0.300 1 789 175 175 PRO C C 176.845 0.300 1 790 175 175 PRO CA C 62.606 0.300 1 791 175 175 PRO CB C 31.154 0.300 1 792 176 176 VAL H H 8.228 0.020 1 793 176 176 VAL C C 175.380 0.300 1 794 176 176 VAL CA C 61.961 0.300 1 795 176 176 VAL CB C 32.028 0.300 1 796 176 176 VAL N N 120.598 0.300 1 797 177 177 GLU H H 7.878 0.020 1 798 177 177 GLU C C 180.880 0.300 1 799 177 177 GLU CA C 57.440 0.300 1 800 177 177 GLU CB C 30.438 0.300 1 801 177 177 GLU N N 128.816 0.300 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . 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 76 53 VAL H H 8.184 0.020 1 2 76 53 VAL C C 173.894 0.300 1 3 76 53 VAL CA C 58.709 0.300 1 4 76 53 VAL CB C 36.290 0.300 1 5 76 53 VAL N N 117.312 0.300 1 6 77 54 ALA H H 8.924 0.020 1 7 77 54 ALA C C 174.865 0.300 1 8 77 54 ALA CA C 50.135 0.300 1 9 77 54 ALA CB C 20.836 0.300 1 10 77 54 ALA N N 123.240 0.300 1 11 78 55 LEU H H 8.412 0.020 1 12 78 55 LEU C C 175.997 0.300 1 13 78 55 LEU CA C 53.246 0.300 1 14 78 55 LEU CB C 43.471 0.300 1 15 78 55 LEU N N 124.003 0.300 1 16 80 57 GLU H H 8.239 0.020 1 17 80 57 GLU C C 176.953 0.300 1 18 80 57 GLU CA C 57.816 0.300 1 19 80 57 GLU N N 114.803 0.300 1 20 81 58 SER H H 8.074 0.020 1 21 81 58 SER C C 173.992 0.300 1 22 81 58 SER CA C 57.626 0.300 1 23 81 58 SER CB C 63.201 0.300 1 24 81 58 SER N N 113.633 0.300 1 25 82 59 GLY H H 8.016 0.020 1 26 82 59 GLY C C 172.643 0.300 1 27 82 59 GLY CA C 46.439 0.300 1 28 82 59 GLY N N 109.100 0.300 1 29 83 60 ASP H H 7.763 0.020 1 30 83 60 ASP C C 174.648 0.300 1 31 83 60 ASP CA C 53.068 0.300 1 32 83 60 ASP CB C 41.136 0.300 1 33 83 60 ASP N N 117.590 0.300 1 34 84 61 PHE H H 9.424 0.020 1 35 84 61 PHE C C 176.419 0.300 1 36 84 61 PHE CA C 56.962 0.300 1 37 84 61 PHE N N 124.622 0.300 1 38 85 62 SER H H 8.968 0.020 1 39 85 62 SER C C 173.549 0.300 1 40 85 62 SER CA C 56.586 0.300 1 41 85 62 SER CB C 65.234 0.300 1 42 85 62 SER N N 112.836 0.300 1 43 86 63 LEU H H 8.790 0.020 1 44 86 63 LEU C C 176.913 0.300 1 45 86 63 LEU CA C 54.801 0.300 1 46 86 63 LEU CB C 41.211 0.300 1 47 86 63 LEU N N 122.325 0.300 1 stop_ save_