data_27282 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27282 _Entry.Title ; Backbone assignment of Zika Virus NS2B-NS3 Protease in complex with a covalent inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-13 _Entry.Accession_date 2017-10-13 _Entry.Last_release_date 2017-10-13 _Entry.Original_release_date 2017-10-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yan Li . . . . 27282 2 Zhenzhen Zhang . . . . 27282 3 'Wint Wint' Phoo . . . . 27282 4 'Ying Ru' Loh . . . . 27282 5 Rong Li . . . . 27282 6 'Yoon Sheng' Yeap . . . . 27282 7 'Hai Yan' Yang . . . . 27282 8 Anna Jansson . . . . 27282 9 Jeffrey Hill . . . . 27282 10 'Thomas H' Keller . . . . 27282 11 Kassoum Nacro . . . . 27282 12 Dahai Luo . . . . 27282 13 CongBao Kang . . . . 27282 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 561 27282 '15N chemical shifts' 190 27282 '1H chemical shifts' 190 27282 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-04-06 2017-10-13 update BMRB 'update entry citation' 27282 1 . . 2018-03-16 2017-10-13 original author 'original release' 27282 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26927 'unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine' 27282 BMRB 26928 'unlinked NS2B-NS3 Protease of Zika Virus' 27282 BMRB 26933 'unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine aldehyde' 27282 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27282 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29526431 _Citation.Full_citation . _Citation.Title ; Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 555 _Citation.Page_last 564 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yan Li . . . . 27282 1 2 Zhenzhen Zhang . . . . 27282 1 3 'Wint Wint' Phoo . . . . 27282 1 4 'Ying Ru' Loh . . . . 27282 1 5 Rong Li . . . . 27282 1 6 'Yoon Sheng' Yeap . . . . 27282 1 7 'Hai Yan' Yang . . . . 27282 1 8 Anna Jansson . . . . 27282 1 9 Jeffrey Hill . . . . 27282 1 10 'Thomas H' Keller . . . . 27282 1 11 Kassoum Nacro . . . . 27282 1 12 Dahai Luo . . . . 27282 1 13 CongBao Kang . . . . 27282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27282 _Assembly.ID 1 _Assembly.Name 'NS2B-NS3 Protease from Zika Virus' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Benzoyl group as covalent small-molecular inhibitor.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NS2B fragment (45-96)' 1 $NS2B_fragment A . yes native no no . . . 27282 1 2 'NS3 fragment (1-177)' 2 $NS3_fragment B . yes native no no . . . 27282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS2B_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS2B_fragment _Entity.Entry_ID 27282 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NS2B_fragment _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MTGKSVDMYIERAGDITWEK DAEVTGNSPRLDVALDESGD FSLVEEDGPPMRE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27282 1 2 . GLY . 27282 1 3 . SER . 27282 1 4 . SER . 27282 1 5 . HIS . 27282 1 6 . HIS . 27282 1 7 . HIS . 27282 1 8 . HIS . 27282 1 9 . HIS . 27282 1 10 . HIS . 27282 1 11 . SER . 27282 1 12 . SER . 27282 1 13 . GLY . 27282 1 14 . LEU . 27282 1 15 . VAL . 27282 1 16 . PRO . 27282 1 17 . ARG . 27282 1 18 . GLY . 27282 1 19 . SER . 27282 1 20 . HIS . 27282 1 21 . MET . 27282 1 22 45 THR . 27282 1 23 46 GLY . 27282 1 24 47 LYS . 27282 1 25 48 SER . 27282 1 26 49 VAL . 27282 1 27 50 ASP . 27282 1 28 51 MET . 27282 1 29 52 TYR . 27282 1 30 53 ILE . 27282 1 31 54 GLU . 27282 1 32 55 ARG . 27282 1 33 56 ALA . 27282 1 34 57 GLY . 27282 1 35 58 ASP . 27282 1 36 59 ILE . 27282 1 37 60 THR . 27282 1 38 61 TRP . 27282 1 39 62 GLU . 27282 1 40 63 LYS . 27282 1 41 64 ASP . 27282 1 42 65 ALA . 27282 1 43 66 GLU . 27282 1 44 67 VAL . 27282 1 45 68 THR . 27282 1 46 69 GLY . 27282 1 47 70 ASN . 27282 1 48 71 SER . 27282 1 49 72 PRO . 27282 1 50 73 ARG . 27282 1 51 74 LEU . 27282 1 52 75 ASP . 27282 1 53 76 VAL . 27282 1 54 77 ALA . 27282 1 55 78 LEU . 27282 1 56 79 ASP . 27282 1 57 80 GLU . 27282 1 58 81 SER . 27282 1 59 82 GLY . 27282 1 60 83 ASP . 27282 1 61 84 PHE . 27282 1 62 85 SER . 27282 1 63 86 LEU . 27282 1 64 87 VAL . 27282 1 65 88 GLU . 27282 1 66 89 GLU . 27282 1 67 90 ASP . 27282 1 68 91 GLY . 27282 1 69 92 PRO . 27282 1 70 93 PRO . 27282 1 71 94 MET . 27282 1 72 95 ARG . 27282 1 73 96 GLU . 27282 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27282 1 . GLY 2 2 27282 1 . SER 3 3 27282 1 . SER 4 4 27282 1 . HIS 5 5 27282 1 . HIS 6 6 27282 1 . HIS 7 7 27282 1 . HIS 8 8 27282 1 . HIS 9 9 27282 1 . HIS 10 10 27282 1 . SER 11 11 27282 1 . SER 12 12 27282 1 . GLY 13 13 27282 1 . LEU 14 14 27282 1 . VAL 15 15 27282 1 . PRO 16 16 27282 1 . ARG 17 17 27282 1 . GLY 18 18 27282 1 . SER 19 19 27282 1 . HIS 20 20 27282 1 . MET 21 21 27282 1 . THR 22 22 27282 1 . GLY 23 23 27282 1 . LYS 24 24 27282 1 . SER 25 25 27282 1 . VAL 26 26 27282 1 . ASP 27 27 27282 1 . MET 28 28 27282 1 . TYR 29 29 27282 1 . ILE 30 30 27282 1 . GLU 31 31 27282 1 . ARG 32 32 27282 1 . ALA 33 33 27282 1 . GLY 34 34 27282 1 . ASP 35 35 27282 1 . ILE 36 36 27282 1 . THR 37 37 27282 1 . TRP 38 38 27282 1 . GLU 39 39 27282 1 . LYS 40 40 27282 1 . ASP 41 41 27282 1 . ALA 42 42 27282 1 . GLU 43 43 27282 1 . VAL 44 44 27282 1 . THR 45 45 27282 1 . GLY 46 46 27282 1 . ASN 47 47 27282 1 . SER 48 48 27282 1 . PRO 49 49 27282 1 . ARG 50 50 27282 1 . LEU 51 51 27282 1 . ASP 52 52 27282 1 . VAL 53 53 27282 1 . ALA 54 54 27282 1 . LEU 55 55 27282 1 . ASP 56 56 27282 1 . GLU 57 57 27282 1 . SER 58 58 27282 1 . GLY 59 59 27282 1 . ASP 60 60 27282 1 . PHE 61 61 27282 1 . SER 62 62 27282 1 . LEU 63 63 27282 1 . VAL 64 64 27282 1 . GLU 65 65 27282 1 . GLU 66 66 27282 1 . ASP 67 67 27282 1 . GLY 68 68 27282 1 . PRO 69 69 27282 1 . PRO 70 70 27282 1 . MET 71 71 27282 1 . ARG 72 72 27282 1 . GLU 73 73 27282 1 stop_ save_ save_NS3_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS3_fragment _Entity.Entry_ID 27282 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NS3_fragment _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGALWDVPAPKEVKKGETT DGVYRVMTRRLLGSTQVGVG VMQEGVFHTMWHVTKGAALR SGEGRLDPYWGDVKQDLVSY CGPWKLDAAWDGLSEVQLLA VPPGERAKNIQTLPGIFKTK DGDIGAVALDYPAGTSGSPI LDKCGRVIGLYGNGVVIKNG SYVSAITQGKREEETPVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 27282 2 2 1 SER . 27282 2 3 2 GLY . 27282 2 4 3 ALA . 27282 2 5 4 LEU . 27282 2 6 5 TRP . 27282 2 7 6 ASP . 27282 2 8 7 VAL . 27282 2 9 8 PRO . 27282 2 10 9 ALA . 27282 2 11 10 PRO . 27282 2 12 11 LYS . 27282 2 13 12 GLU . 27282 2 14 13 VAL . 27282 2 15 14 LYS . 27282 2 16 15 LYS . 27282 2 17 16 GLY . 27282 2 18 17 GLU . 27282 2 19 18 THR . 27282 2 20 19 THR . 27282 2 21 20 ASP . 27282 2 22 21 GLY . 27282 2 23 22 VAL . 27282 2 24 23 TYR . 27282 2 25 24 ARG . 27282 2 26 25 VAL . 27282 2 27 26 MET . 27282 2 28 27 THR . 27282 2 29 28 ARG . 27282 2 30 29 ARG . 27282 2 31 30 LEU . 27282 2 32 31 LEU . 27282 2 33 32 GLY . 27282 2 34 33 SER . 27282 2 35 34 THR . 27282 2 36 35 GLN . 27282 2 37 36 VAL . 27282 2 38 37 GLY . 27282 2 39 38 VAL . 27282 2 40 39 GLY . 27282 2 41 40 VAL . 27282 2 42 41 MET . 27282 2 43 42 GLN . 27282 2 44 43 GLU . 27282 2 45 44 GLY . 27282 2 46 45 VAL . 27282 2 47 46 PHE . 27282 2 48 47 HIS . 27282 2 49 48 THR . 27282 2 50 49 MET . 27282 2 51 50 TRP . 27282 2 52 51 HIS . 27282 2 53 52 VAL . 27282 2 54 53 THR . 27282 2 55 54 LYS . 27282 2 56 55 GLY . 27282 2 57 56 ALA . 27282 2 58 57 ALA . 27282 2 59 58 LEU . 27282 2 60 59 ARG . 27282 2 61 60 SER . 27282 2 62 61 GLY . 27282 2 63 62 GLU . 27282 2 64 63 GLY . 27282 2 65 64 ARG . 27282 2 66 65 LEU . 27282 2 67 66 ASP . 27282 2 68 67 PRO . 27282 2 69 68 TYR . 27282 2 70 69 TRP . 27282 2 71 70 GLY . 27282 2 72 71 ASP . 27282 2 73 72 VAL . 27282 2 74 73 LYS . 27282 2 75 74 GLN . 27282 2 76 75 ASP . 27282 2 77 76 LEU . 27282 2 78 77 VAL . 27282 2 79 78 SER . 27282 2 80 79 TYR . 27282 2 81 80 CYS . 27282 2 82 81 GLY . 27282 2 83 82 PRO . 27282 2 84 83 TRP . 27282 2 85 84 LYS . 27282 2 86 85 LEU . 27282 2 87 86 ASP . 27282 2 88 87 ALA . 27282 2 89 88 ALA . 27282 2 90 89 TRP . 27282 2 91 90 ASP . 27282 2 92 91 GLY . 27282 2 93 92 LEU . 27282 2 94 93 SER . 27282 2 95 94 GLU . 27282 2 96 95 VAL . 27282 2 97 96 GLN . 27282 2 98 97 LEU . 27282 2 99 98 LEU . 27282 2 100 99 ALA . 27282 2 101 100 VAL . 27282 2 102 101 PRO . 27282 2 103 102 PRO . 27282 2 104 103 GLY . 27282 2 105 104 GLU . 27282 2 106 105 ARG . 27282 2 107 106 ALA . 27282 2 108 107 LYS . 27282 2 109 108 ASN . 27282 2 110 109 ILE . 27282 2 111 110 GLN . 27282 2 112 111 THR . 27282 2 113 112 LEU . 27282 2 114 113 PRO . 27282 2 115 114 GLY . 27282 2 116 115 ILE . 27282 2 117 116 PHE . 27282 2 118 117 LYS . 27282 2 119 118 THR . 27282 2 120 119 LYS . 27282 2 121 120 ASP . 27282 2 122 121 GLY . 27282 2 123 122 ASP . 27282 2 124 123 ILE . 27282 2 125 124 GLY . 27282 2 126 125 ALA . 27282 2 127 126 VAL . 27282 2 128 127 ALA . 27282 2 129 128 LEU . 27282 2 130 129 ASP . 27282 2 131 130 TYR . 27282 2 132 131 PRO . 27282 2 133 132 ALA . 27282 2 134 133 GLY . 27282 2 135 134 THR . 27282 2 136 135 SER . 27282 2 137 136 GLY . 27282 2 138 137 SER . 27282 2 139 138 PRO . 27282 2 140 139 ILE . 27282 2 141 140 LEU . 27282 2 142 141 ASP . 27282 2 143 142 LYS . 27282 2 144 143 CYS . 27282 2 145 144 GLY . 27282 2 146 145 ARG . 27282 2 147 146 VAL . 27282 2 148 147 ILE . 27282 2 149 148 GLY . 27282 2 150 149 LEU . 27282 2 151 150 TYR . 27282 2 152 151 GLY . 27282 2 153 152 ASN . 27282 2 154 153 GLY . 27282 2 155 154 VAL . 27282 2 156 155 VAL . 27282 2 157 156 ILE . 27282 2 158 157 LYS . 27282 2 159 158 ASN . 27282 2 160 159 GLY . 27282 2 161 160 SER . 27282 2 162 161 TYR . 27282 2 163 162 VAL . 27282 2 164 163 SER . 27282 2 165 164 ALA . 27282 2 166 165 ILE . 27282 2 167 166 THR . 27282 2 168 167 GLN . 27282 2 169 168 GLY . 27282 2 170 169 LYS . 27282 2 171 170 ARG . 27282 2 172 171 GLU . 27282 2 173 172 GLU . 27282 2 174 173 GLU . 27282 2 175 174 THR . 27282 2 176 175 PRO . 27282 2 177 176 VAL . 27282 2 178 177 GLU . 27282 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27282 2 . SER 2 2 27282 2 . GLY 3 3 27282 2 . ALA 4 4 27282 2 . LEU 5 5 27282 2 . TRP 6 6 27282 2 . ASP 7 7 27282 2 . VAL 8 8 27282 2 . PRO 9 9 27282 2 . ALA 10 10 27282 2 . PRO 11 11 27282 2 . LYS 12 12 27282 2 . GLU 13 13 27282 2 . VAL 14 14 27282 2 . LYS 15 15 27282 2 . LYS 16 16 27282 2 . GLY 17 17 27282 2 . GLU 18 18 27282 2 . THR 19 19 27282 2 . THR 20 20 27282 2 . ASP 21 21 27282 2 . GLY 22 22 27282 2 . VAL 23 23 27282 2 . TYR 24 24 27282 2 . ARG 25 25 27282 2 . VAL 26 26 27282 2 . MET 27 27 27282 2 . THR 28 28 27282 2 . ARG 29 29 27282 2 . ARG 30 30 27282 2 . LEU 31 31 27282 2 . LEU 32 32 27282 2 . GLY 33 33 27282 2 . SER 34 34 27282 2 . THR 35 35 27282 2 . GLN 36 36 27282 2 . VAL 37 37 27282 2 . GLY 38 38 27282 2 . VAL 39 39 27282 2 . GLY 40 40 27282 2 . VAL 41 41 27282 2 . MET 42 42 27282 2 . GLN 43 43 27282 2 . GLU 44 44 27282 2 . GLY 45 45 27282 2 . VAL 46 46 27282 2 . PHE 47 47 27282 2 . HIS 48 48 27282 2 . THR 49 49 27282 2 . MET 50 50 27282 2 . TRP 51 51 27282 2 . HIS 52 52 27282 2 . VAL 53 53 27282 2 . THR 54 54 27282 2 . LYS 55 55 27282 2 . GLY 56 56 27282 2 . ALA 57 57 27282 2 . ALA 58 58 27282 2 . LEU 59 59 27282 2 . ARG 60 60 27282 2 . SER 61 61 27282 2 . GLY 62 62 27282 2 . GLU 63 63 27282 2 . GLY 64 64 27282 2 . ARG 65 65 27282 2 . LEU 66 66 27282 2 . ASP 67 67 27282 2 . PRO 68 68 27282 2 . TYR 69 69 27282 2 . TRP 70 70 27282 2 . GLY 71 71 27282 2 . ASP 72 72 27282 2 . VAL 73 73 27282 2 . LYS 74 74 27282 2 . GLN 75 75 27282 2 . ASP 76 76 27282 2 . LEU 77 77 27282 2 . VAL 78 78 27282 2 . SER 79 79 27282 2 . TYR 80 80 27282 2 . CYS 81 81 27282 2 . GLY 82 82 27282 2 . PRO 83 83 27282 2 . TRP 84 84 27282 2 . LYS 85 85 27282 2 . LEU 86 86 27282 2 . ASP 87 87 27282 2 . ALA 88 88 27282 2 . ALA 89 89 27282 2 . TRP 90 90 27282 2 . ASP 91 91 27282 2 . GLY 92 92 27282 2 . LEU 93 93 27282 2 . SER 94 94 27282 2 . GLU 95 95 27282 2 . VAL 96 96 27282 2 . GLN 97 97 27282 2 . LEU 98 98 27282 2 . LEU 99 99 27282 2 . ALA 100 100 27282 2 . VAL 101 101 27282 2 . PRO 102 102 27282 2 . PRO 103 103 27282 2 . GLY 104 104 27282 2 . GLU 105 105 27282 2 . ARG 106 106 27282 2 . ALA 107 107 27282 2 . LYS 108 108 27282 2 . ASN 109 109 27282 2 . ILE 110 110 27282 2 . GLN 111 111 27282 2 . THR 112 112 27282 2 . LEU 113 113 27282 2 . PRO 114 114 27282 2 . GLY 115 115 27282 2 . ILE 116 116 27282 2 . PHE 117 117 27282 2 . LYS 118 118 27282 2 . THR 119 119 27282 2 . LYS 120 120 27282 2 . ASP 121 121 27282 2 . GLY 122 122 27282 2 . ASP 123 123 27282 2 . ILE 124 124 27282 2 . GLY 125 125 27282 2 . ALA 126 126 27282 2 . VAL 127 127 27282 2 . ALA 128 128 27282 2 . LEU 129 129 27282 2 . ASP 130 130 27282 2 . TYR 131 131 27282 2 . PRO 132 132 27282 2 . ALA 133 133 27282 2 . GLY 134 134 27282 2 . THR 135 135 27282 2 . SER 136 136 27282 2 . GLY 137 137 27282 2 . SER 138 138 27282 2 . PRO 139 139 27282 2 . ILE 140 140 27282 2 . LEU 141 141 27282 2 . ASP 142 142 27282 2 . LYS 143 143 27282 2 . CYS 144 144 27282 2 . GLY 145 145 27282 2 . ARG 146 146 27282 2 . VAL 147 147 27282 2 . ILE 148 148 27282 2 . GLY 149 149 27282 2 . LEU 150 150 27282 2 . TYR 151 151 27282 2 . GLY 152 152 27282 2 . ASN 153 153 27282 2 . GLY 154 154 27282 2 . VAL 155 155 27282 2 . VAL 156 156 27282 2 . ILE 157 157 27282 2 . LYS 158 158 27282 2 . ASN 159 159 27282 2 . GLY 160 160 27282 2 . SER 161 161 27282 2 . TYR 162 162 27282 2 . VAL 163 163 27282 2 . SER 164 164 27282 2 . ALA 165 165 27282 2 . ILE 166 166 27282 2 . THR 167 167 27282 2 . GLN 168 168 27282 2 . GLY 169 169 27282 2 . LYS 170 170 27282 2 . ARG 171 171 27282 2 . GLU 172 172 27282 2 . GLU 173 173 27282 2 . GLU 174 174 27282 2 . THR 175 175 27282 2 . PRO 176 176 27282 2 . VAL 177 177 27282 2 . GLU 178 178 27282 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27282 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NS2B_fragment . 64320 virus . 'Zika virus' 'Zika virus' . . Viruses . Zika virus . . . . . . . . . . . . . 27282 1 2 2 $NS3_fragment . 64320 virus . 'Zika virus' 'Zika virus' . . Viruses . Zika virus . . . . . . . . . . . . . 27282 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27282 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NS2B_fragment . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETDUET . . . 27282 1 2 2 $NS3_fragment . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETDUET . . . 27282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27282 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM HEPES, pH7.3, 150 mM NaCl, 1 mM DTT.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NS2B fragment (45-96)' '[U-13C; U-15N; U-2H]' . . 1 $NS2B_fragment . . 0.8 . . mM . . . . 27282 1 2 'NS3 fragment (1-177)' '[U-13C; U-15N; U-2H]' . . 2 $NS3_fragment . . 0.8 . . mM . . . . 27282 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27282 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27282 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27282 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27282 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 27282 1 pH 7.3 . pH 27282 1 pressure 1 . atm 27282 1 temperature 298 . K 27282 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27282 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27282 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27282 1 'Johnson, One Moon Scientific' . . 27282 1 'Keller and Wuthrich' . . 27282 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27282 1 processing 27282 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27282 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27282 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27282 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27282 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27282 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27282 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 27282 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27282 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 27282 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27282 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27282 1 2 '3D HNCACB' . . . 27282 1 4 '3D HNCA' . . . 27282 1 6 '3D HNCO' . . . 27282 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27282 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 SER C C 13 174.182 0.300 . 1 . . . . . 48 SER C . 27282 1 2 . 1 1 25 25 SER CA C 13 57.933 0.300 . 1 . . . . . 48 SER CA . 27282 1 3 . 1 1 25 25 SER CB C 13 63.498 0.300 . 1 . . . . . 48 SER CB . 27282 1 4 . 1 1 26 26 VAL H H 1 8.280 0.020 . 1 . . . . . 49 VAL H . 27282 1 5 . 1 1 26 26 VAL C C 13 175.240 0.300 . 1 . . . . . 49 VAL C . 27282 1 6 . 1 1 26 26 VAL CA C 13 61.479 0.300 . 1 . . . . . 49 VAL CA . 27282 1 7 . 1 1 26 26 VAL CB C 13 32.429 0.300 . 1 . . . . . 49 VAL CB . 27282 1 8 . 1 1 26 26 VAL N N 15 122.118 0.300 . 1 . . . . . 49 VAL N . 27282 1 9 . 1 1 27 27 ASP H H 1 8.565 0.020 . 1 . . . . . 50 ASP H . 27282 1 10 . 1 1 27 27 ASP C C 13 175.095 0.300 . 1 . . . . . 50 ASP C . 27282 1 11 . 1 1 27 27 ASP CA C 13 53.889 0.300 . 1 . . . . . 50 ASP CA . 27282 1 12 . 1 1 27 27 ASP CB C 13 41.202 0.300 . 1 . . . . . 50 ASP CB . 27282 1 13 . 1 1 27 27 ASP N N 15 125.625 0.300 . 1 . . . . . 50 ASP N . 27282 1 14 . 1 1 28 28 MET H H 1 8.292 0.020 . 1 . . . . . 51 MET H . 27282 1 15 . 1 1 28 28 MET CA C 13 54.609 0.300 . 1 . . . . . 51 MET CA . 27282 1 16 . 1 1 28 28 MET CB C 13 35.362 0.300 . 1 . . . . . 51 MET CB . 27282 1 17 . 1 1 28 28 MET N N 15 122.155 0.300 . 1 . . . . . 51 MET N . 27282 1 18 . 1 1 29 29 TYR H H 1 9.054 0.020 . 1 . . . . . 52 TYR H . 27282 1 19 . 1 1 29 29 TYR C C 13 172.615 0.300 . 1 . . . . . 52 TYR C . 27282 1 20 . 1 1 29 29 TYR CA C 13 54.499 0.300 . 1 . . . . . 52 TYR CA . 27282 1 21 . 1 1 29 29 TYR CB C 13 40.619 0.300 . 1 . . . . . 52 TYR CB . 27282 1 22 . 1 1 29 29 TYR N N 15 120.325 0.300 . 1 . . . . . 52 TYR N . 27282 1 23 . 1 1 30 30 ILE H H 1 8.046 0.020 . 1 . . . . . 53 ILE H . 27282 1 24 . 1 1 30 30 ILE CA C 13 57.583 0.300 . 1 . . . . . 53 ILE CA . 27282 1 25 . 1 1 30 30 ILE CB C 13 40.288 0.300 . 1 . . . . . 53 ILE CB . 27282 1 26 . 1 1 30 30 ILE N N 15 109.644 0.300 . 1 . . . . . 53 ILE N . 27282 1 27 . 1 1 31 31 GLU H H 1 8.621 0.020 . 1 . . . . . 54 GLU H . 27282 1 28 . 1 1 31 31 GLU C C 13 174.898 0.300 . 1 . . . . . 54 GLU C . 27282 1 29 . 1 1 31 31 GLU CA C 13 54.220 0.300 . 1 . . . . . 54 GLU CA . 27282 1 30 . 1 1 31 31 GLU CB C 13 33.703 0.300 . 1 . . . . . 54 GLU CB . 27282 1 31 . 1 1 31 31 GLU N N 15 121.419 0.300 . 1 . . . . . 54 GLU N . 27282 1 32 . 1 1 32 32 ARG H H 1 9.336 0.020 . 1 . . . . . 55 ARG H . 27282 1 33 . 1 1 32 32 ARG C C 13 175.835 0.300 . 1 . . . . . 55 ARG C . 27282 1 34 . 1 1 32 32 ARG CA C 13 58.610 0.300 . 1 . . . . . 55 ARG CA . 27282 1 35 . 1 1 32 32 ARG CB C 13 28.701 0.300 . 1 . . . . . 55 ARG CB . 27282 1 36 . 1 1 32 32 ARG N N 15 130.358 0.300 . 1 . . . . . 55 ARG N . 27282 1 37 . 1 1 33 33 ALA H H 1 9.597 0.020 . 1 . . . . . 56 ALA H . 27282 1 38 . 1 1 33 33 ALA C C 13 176.620 0.300 . 1 . . . . . 56 ALA C . 27282 1 39 . 1 1 33 33 ALA CA C 13 50.967 0.300 . 1 . . . . . 56 ALA CA . 27282 1 40 . 1 1 33 33 ALA CB C 13 20.090 0.300 . 1 . . . . . 56 ALA CB . 27282 1 41 . 1 1 33 33 ALA N N 15 127.971 0.300 . 1 . . . . . 56 ALA N . 27282 1 42 . 1 1 34 34 GLY H H 1 7.109 0.020 . 1 . . . . . 57 GLY H . 27282 1 43 . 1 1 34 34 GLY C C 13 171.293 0.300 . 1 . . . . . 57 GLY C . 27282 1 44 . 1 1 34 34 GLY CA C 13 44.718 0.300 . 1 . . . . . 57 GLY CA . 27282 1 45 . 1 1 34 34 GLY N N 15 103.314 0.300 . 1 . . . . . 57 GLY N . 27282 1 46 . 1 1 35 35 ASP H H 1 8.319 0.020 . 1 . . . . . 58 ASP H . 27282 1 47 . 1 1 35 35 ASP C C 13 175.514 0.300 . 1 . . . . . 58 ASP C . 27282 1 48 . 1 1 35 35 ASP CA C 13 53.111 0.300 . 1 . . . . . 58 ASP CA . 27282 1 49 . 1 1 35 35 ASP CB C 13 41.854 0.300 . 1 . . . . . 58 ASP CB . 27282 1 50 . 1 1 35 35 ASP N N 15 118.222 0.300 . 1 . . . . . 58 ASP N . 27282 1 51 . 1 1 36 36 ILE H H 1 8.818 0.020 . 1 . . . . . 59 ILE H . 27282 1 52 . 1 1 36 36 ILE C C 13 174.927 0.300 . 1 . . . . . 59 ILE C . 27282 1 53 . 1 1 36 36 ILE CA C 13 61.208 0.300 . 1 . . . . . 59 ILE CA . 27282 1 54 . 1 1 36 36 ILE CB C 13 36.211 0.300 . 1 . . . . . 59 ILE CB . 27282 1 55 . 1 1 36 36 ILE N N 15 119.523 0.300 . 1 . . . . . 59 ILE N . 27282 1 56 . 1 1 37 37 THR H H 1 6.882 0.020 . 1 . . . . . 60 THR H . 27282 1 57 . 1 1 37 37 THR C C 13 171.697 0.300 . 1 . . . . . 60 THR C . 27282 1 58 . 1 1 37 37 THR CA C 13 59.146 0.300 . 1 . . . . . 60 THR CA . 27282 1 59 . 1 1 37 37 THR CB C 13 71.011 0.300 . 1 . . . . . 60 THR CB . 27282 1 60 . 1 1 37 37 THR N N 15 118.501 0.300 . 1 . . . . . 60 THR N . 27282 1 61 . 1 1 38 38 TRP H H 1 8.619 0.020 . 1 . . . . . 61 TRP H . 27282 1 62 . 1 1 38 38 TRP C C 13 175.610 0.300 . 1 . . . . . 61 TRP C . 27282 1 63 . 1 1 38 38 TRP CA C 13 56.441 0.300 . 1 . . . . . 61 TRP CA . 27282 1 64 . 1 1 38 38 TRP CB C 13 28.721 0.300 . 1 . . . . . 61 TRP CB . 27282 1 65 . 1 1 38 38 TRP N N 15 123.615 0.300 . 1 . . . . . 61 TRP N . 27282 1 66 . 1 1 39 39 GLU H H 1 8.545 0.020 . 1 . . . . . 62 GLU H . 27282 1 67 . 1 1 39 39 GLU C C 13 176.322 0.300 . 1 . . . . . 62 GLU C . 27282 1 68 . 1 1 39 39 GLU CA C 13 53.894 0.300 . 1 . . . . . 62 GLU CA . 27282 1 69 . 1 1 39 39 GLU CB C 13 30.533 0.300 . 1 . . . . . 62 GLU CB . 27282 1 70 . 1 1 39 39 GLU N N 15 130.685 0.300 . 1 . . . . . 62 GLU N . 27282 1 71 . 1 1 40 40 LYS H H 1 8.897 0.020 . 1 . . . . . 63 LYS H . 27282 1 72 . 1 1 40 40 LYS C C 13 176.679 0.300 . 1 . . . . . 63 LYS C . 27282 1 73 . 1 1 40 40 LYS CA C 13 58.099 0.300 . 1 . . . . . 63 LYS CA . 27282 1 74 . 1 1 40 40 LYS CB C 13 30.924 0.300 . 1 . . . . . 63 LYS CB . 27282 1 75 . 1 1 40 40 LYS N N 15 127.830 0.300 . 1 . . . . . 63 LYS N . 27282 1 76 . 1 1 41 41 ASP H H 1 8.684 0.020 . 1 . . . . . 64 ASP H . 27282 1 77 . 1 1 41 41 ASP C C 13 174.906 0.300 . 1 . . . . . 64 ASP C . 27282 1 78 . 1 1 41 41 ASP CA C 13 53.663 0.300 . 1 . . . . . 64 ASP CA . 27282 1 79 . 1 1 41 41 ASP CB C 13 39.057 0.300 . 1 . . . . . 64 ASP CB . 27282 1 80 . 1 1 41 41 ASP N N 15 118.589 0.300 . 1 . . . . . 64 ASP N . 27282 1 81 . 1 1 42 42 ALA H H 1 7.034 0.020 . 1 . . . . . 65 ALA H . 27282 1 82 . 1 1 42 42 ALA C C 13 177.050 0.300 . 1 . . . . . 65 ALA C . 27282 1 83 . 1 1 42 42 ALA CA C 13 51.761 0.300 . 1 . . . . . 65 ALA CA . 27282 1 84 . 1 1 42 42 ALA CB C 13 18.969 0.300 . 1 . . . . . 65 ALA CB . 27282 1 85 . 1 1 42 42 ALA N N 15 121.419 0.300 . 1 . . . . . 65 ALA N . 27282 1 86 . 1 1 43 43 GLU H H 1 8.257 0.020 . 1 . . . . . 66 GLU H . 27282 1 87 . 1 1 43 43 GLU CA C 13 56.044 0.300 . 1 . . . . . 66 GLU CA . 27282 1 88 . 1 1 43 43 GLU CB C 13 29.660 0.300 . 1 . . . . . 66 GLU CB . 27282 1 89 . 1 1 43 43 GLU N N 15 121.343 0.300 . 1 . . . . . 66 GLU N . 27282 1 90 . 1 1 44 44 VAL H H 1 8.210 0.020 . 1 . . . . . 67 VAL H . 27282 1 91 . 1 1 44 44 VAL C C 13 176.909 0.300 . 1 . . . . . 67 VAL C . 27282 1 92 . 1 1 44 44 VAL CA C 13 60.259 0.300 . 1 . . . . . 67 VAL CA . 27282 1 93 . 1 1 44 44 VAL CB C 13 32.351 0.300 . 1 . . . . . 67 VAL CB . 27282 1 94 . 1 1 44 44 VAL N N 15 123.579 0.300 . 1 . . . . . 67 VAL N . 27282 1 95 . 1 1 45 45 THR H H 1 8.813 0.020 . 1 . . . . . 68 THR H . 27282 1 96 . 1 1 45 45 THR C C 13 173.529 0.300 . 1 . . . . . 68 THR C . 27282 1 97 . 1 1 45 45 THR CA C 13 60.474 0.300 . 1 . . . . . 68 THR CA . 27282 1 98 . 1 1 45 45 THR CB C 13 69.390 0.300 . 1 . . . . . 68 THR CB . 27282 1 99 . 1 1 45 45 THR N N 15 121.552 0.300 . 1 . . . . . 68 THR N . 27282 1 100 . 1 1 46 46 GLY H H 1 8.223 0.020 . 1 . . . . . 69 GLY H . 27282 1 101 . 1 1 46 46 GLY C C 13 173.400 0.300 . 1 . . . . . 69 GLY C . 27282 1 102 . 1 1 46 46 GLY CA C 13 43.998 0.300 . 1 . . . . . 69 GLY CA . 27282 1 103 . 1 1 46 46 GLY N N 15 110.231 0.300 . 1 . . . . . 69 GLY N . 27282 1 104 . 1 1 47 47 ASN H H 1 7.902 0.020 . 1 . . . . . 70 ASN H . 27282 1 105 . 1 1 47 47 ASN C C 13 173.060 0.300 . 1 . . . . . 70 ASN C . 27282 1 106 . 1 1 47 47 ASN CA C 13 51.978 0.300 . 1 . . . . . 70 ASN CA . 27282 1 107 . 1 1 47 47 ASN CB C 13 38.925 0.300 . 1 . . . . . 70 ASN CB . 27282 1 108 . 1 1 47 47 ASN N N 15 118.818 0.300 . 1 . . . . . 70 ASN N . 27282 1 109 . 1 1 48 48 SER H H 1 8.246 0.020 . 1 . . . . . 71 SER H . 27282 1 110 . 1 1 48 48 SER CA C 13 54.521 0.300 . 1 . . . . . 71 SER CA . 27282 1 111 . 1 1 48 48 SER CB C 13 62.500 0.300 . 1 . . . . . 71 SER CB . 27282 1 112 . 1 1 48 48 SER N N 15 113.400 0.300 . 1 . . . . . 71 SER N . 27282 1 113 . 1 1 49 49 PRO C C 13 175.198 0.300 . 1 . . . . . 72 PRO C . 27282 1 114 . 1 1 49 49 PRO CA C 13 62.183 0.300 . 1 . . . . . 72 PRO CA . 27282 1 115 . 1 1 49 49 PRO CB C 13 31.704 0.300 . 1 . . . . . 72 PRO CB . 27282 1 116 . 1 1 50 50 ARG H H 1 8.395 0.020 . 1 . . . . . 73 ARG H . 27282 1 117 . 1 1 50 50 ARG C C 13 175.391 0.300 . 1 . . . . . 73 ARG C . 27282 1 118 . 1 1 50 50 ARG CA C 13 55.089 0.300 . 1 . . . . . 73 ARG CA . 27282 1 119 . 1 1 50 50 ARG CB C 13 29.868 0.300 . 1 . . . . . 73 ARG CB . 27282 1 120 . 1 1 50 50 ARG N N 15 120.046 0.300 . 1 . . . . . 73 ARG N . 27282 1 121 . 1 1 51 51 LEU H H 1 8.502 0.020 . 1 . . . . . 74 LEU H . 27282 1 122 . 1 1 51 51 LEU C C 13 174.858 0.300 . 1 . . . . . 74 LEU C . 27282 1 123 . 1 1 51 51 LEU CA C 13 53.011 0.300 . 1 . . . . . 74 LEU CA . 27282 1 124 . 1 1 51 51 LEU CB C 13 44.773 0.300 . 1 . . . . . 74 LEU CB . 27282 1 125 . 1 1 51 51 LEU N N 15 124.294 0.300 . 1 . . . . . 74 LEU N . 27282 1 126 . 1 1 52 52 ASP H H 1 8.623 0.020 . 1 . . . . . 75 ASP H . 27282 1 127 . 1 1 52 52 ASP C C 13 175.566 0.300 . 1 . . . . . 75 ASP C . 27282 1 128 . 1 1 52 52 ASP CA C 13 54.017 0.300 . 1 . . . . . 75 ASP CA . 27282 1 129 . 1 1 52 52 ASP CB C 13 40.698 0.300 . 1 . . . . . 75 ASP CB . 27282 1 130 . 1 1 52 52 ASP N N 15 123.477 0.300 . 1 . . . . . 75 ASP N . 27282 1 131 . 1 1 53 53 VAL H H 1 8.174 0.020 . 1 . . . . . 76 VAL H . 27282 1 132 . 1 1 53 53 VAL C C 13 174.057 0.300 . 1 . . . . . 76 VAL C . 27282 1 133 . 1 1 53 53 VAL CA C 13 58.881 0.300 . 1 . . . . . 76 VAL CA . 27282 1 134 . 1 1 53 53 VAL CB C 13 36.026 0.300 . 1 . . . . . 76 VAL CB . 27282 1 135 . 1 1 53 53 VAL N N 15 117.031 0.300 . 1 . . . . . 76 VAL N . 27282 1 136 . 1 1 54 54 ALA H H 1 8.899 0.020 . 1 . . . . . 77 ALA H . 27282 1 137 . 1 1 54 54 ALA CA C 13 50.247 0.300 . 1 . . . . . 77 ALA CA . 27282 1 138 . 1 1 54 54 ALA CB C 13 20.899 0.300 . 1 . . . . . 77 ALA CB . 27282 1 139 . 1 1 54 54 ALA N N 15 123.538 0.300 . 1 . . . . . 77 ALA N . 27282 1 140 . 1 1 55 55 LEU H H 1 8.483 0.020 . 1 . . . . . 78 LEU H . 27282 1 141 . 1 1 55 55 LEU CA C 13 53.198 0.300 . 1 . . . . . 78 LEU CA . 27282 1 142 . 1 1 55 55 LEU CB C 13 43.117 0.300 . 1 . . . . . 78 LEU CB . 27282 1 143 . 1 1 55 55 LEU N N 15 123.992 0.300 . 1 . . . . . 78 LEU N . 27282 1 144 . 1 1 56 56 ASP H H 1 8.208 0.020 . 1 . . . . . 79 ASP H . 27282 1 145 . 1 1 56 56 ASP CA C 13 52.300 0.300 . 1 . . . . . 79 ASP CA . 27282 1 146 . 1 1 56 56 ASP CB C 13 41.126 0.300 . 1 . . . . . 79 ASP CB . 27282 1 147 . 1 1 56 56 ASP N N 15 126.151 0.300 . 1 . . . . . 79 ASP N . 27282 1 148 . 1 1 57 57 GLU H H 1 8.330 0.020 . 1 . . . . . 80 GLU H . 27282 1 149 . 1 1 57 57 GLU C C 13 176.795 0.300 . 1 . . . . . 80 GLU C . 27282 1 150 . 1 1 57 57 GLU CA C 13 57.738 0.300 . 1 . . . . . 80 GLU CA . 27282 1 151 . 1 1 57 57 GLU CB C 13 28.315 0.300 . 1 . . . . . 80 GLU CB . 27282 1 152 . 1 1 57 57 GLU N N 15 116.124 0.300 . 1 . . . . . 80 GLU N . 27282 1 153 . 1 1 58 58 SER H H 1 8.187 0.020 . 1 . . . . . 81 SER H . 27282 1 154 . 1 1 58 58 SER C C 13 173.969 0.300 . 1 . . . . . 81 SER C . 27282 1 155 . 1 1 58 58 SER CA C 13 57.845 0.300 . 1 . . . . . 81 SER CA . 27282 1 156 . 1 1 58 58 SER CB C 13 63.448 0.300 . 1 . . . . . 81 SER CB . 27282 1 157 . 1 1 58 58 SER N N 15 113.570 0.300 . 1 . . . . . 81 SER N . 27282 1 158 . 1 1 59 59 GLY H H 1 7.899 0.020 . 1 . . . . . 82 GLY H . 27282 1 159 . 1 1 59 59 GLY CA C 13 45.673 0.300 . 1 . . . . . 82 GLY CA . 27282 1 160 . 1 1 59 59 GLY N N 15 108.526 0.300 . 1 . . . . . 82 GLY N . 27282 1 161 . 1 1 60 60 ASP H H 1 7.751 0.020 . 1 . . . . . 83 ASP H . 27282 1 162 . 1 1 60 60 ASP CA C 13 52.982 0.300 . 1 . . . . . 83 ASP CA . 27282 1 163 . 1 1 60 60 ASP CB C 13 41.016 0.300 . 1 . . . . . 83 ASP CB . 27282 1 164 . 1 1 60 60 ASP N N 15 118.802 0.300 . 1 . . . . . 83 ASP N . 27282 1 165 . 1 1 61 61 PHE H H 1 9.307 0.020 . 1 . . . . . 84 PHE H . 27282 1 166 . 1 1 61 61 PHE CA C 13 57.241 0.300 . 1 . . . . . 84 PHE CA . 27282 1 167 . 1 1 61 61 PHE CB C 13 41.302 0.300 . 1 . . . . . 84 PHE CB . 27282 1 168 . 1 1 61 61 PHE N N 15 123.279 0.300 . 1 . . . . . 84 PHE N . 27282 1 169 . 1 1 62 62 SER H H 1 8.941 0.020 . 1 . . . . . 85 SER H . 27282 1 170 . 1 1 62 62 SER C C 13 173.420 0.300 . 1 . . . . . 85 SER C . 27282 1 171 . 1 1 62 62 SER CA C 13 56.511 0.300 . 1 . . . . . 85 SER CA . 27282 1 172 . 1 1 62 62 SER CB C 13 65.115 0.300 . 1 . . . . . 85 SER CB . 27282 1 173 . 1 1 62 62 SER N N 15 113.098 0.300 . 1 . . . . . 85 SER N . 27282 1 174 . 1 1 63 63 LEU H H 1 8.730 0.020 . 1 . . . . . 86 LEU H . 27282 1 175 . 1 1 63 63 LEU C C 13 177.357 0.300 . 1 . . . . . 86 LEU C . 27282 1 176 . 1 1 63 63 LEU CA C 13 54.787 0.300 . 1 . . . . . 86 LEU CA . 27282 1 177 . 1 1 63 63 LEU CB C 13 41.484 0.300 . 1 . . . . . 86 LEU CB . 27282 1 178 . 1 1 63 63 LEU N N 15 122.252 0.300 . 1 . . . . . 86 LEU N . 27282 1 179 . 1 1 64 64 VAL H H 1 8.041 0.020 . 1 . . . . . 87 VAL H . 27282 1 180 . 1 1 64 64 VAL C C 13 176.012 0.300 . 1 . . . . . 87 VAL C . 27282 1 181 . 1 1 64 64 VAL CA C 13 62.164 0.300 . 1 . . . . . 87 VAL CA . 27282 1 182 . 1 1 64 64 VAL CB C 13 32.002 0.300 . 1 . . . . . 87 VAL CB . 27282 1 183 . 1 1 64 64 VAL N N 15 123.586 0.300 . 1 . . . . . 87 VAL N . 27282 1 184 . 1 1 65 65 GLU H H 1 8.506 0.020 . 1 . . . . . 88 GLU H . 27282 1 185 . 1 1 65 65 GLU CA C 13 55.526 0.300 . 1 . . . . . 88 GLU CA . 27282 1 186 . 1 1 65 65 GLU CB C 13 29.833 0.300 . 1 . . . . . 88 GLU CB . 27282 1 187 . 1 1 65 65 GLU N N 15 125.174 0.300 . 1 . . . . . 88 GLU N . 27282 1 188 . 1 1 66 66 GLU C C 13 176.095 0.300 . 1 . . . . . 89 GLU C . 27282 1 189 . 1 1 66 66 GLU CA C 13 55.995 0.300 . 1 . . . . . 89 GLU CA . 27282 1 190 . 1 1 66 66 GLU CB C 13 29.760 0.300 . 1 . . . . . 89 GLU CB . 27282 1 191 . 1 1 67 67 ASP H H 1 8.519 0.020 . 1 . . . . . 90 ASP H . 27282 1 192 . 1 1 67 67 ASP C C 13 176.305 0.300 . 1 . . . . . 90 ASP C . 27282 1 193 . 1 1 67 67 ASP CA C 13 53.937 0.300 . 1 . . . . . 90 ASP CA . 27282 1 194 . 1 1 67 67 ASP CB C 13 40.677 0.300 . 1 . . . . . 90 ASP CB . 27282 1 195 . 1 1 67 67 ASP N N 15 121.802 0.300 . 1 . . . . . 90 ASP N . 27282 1 196 . 1 1 68 68 GLY H H 1 8.140 0.020 . 1 . . . . . 91 GLY H . 27282 1 197 . 1 1 68 68 GLY CA C 13 44.041 0.300 . 1 . . . . . 91 GLY CA . 27282 1 198 . 1 1 68 68 GLY N N 15 108.904 0.300 . 1 . . . . . 91 GLY N . 27282 1 199 . 1 1 70 70 PRO C C 13 176.998 0.300 . 1 . . . . . 93 PRO C . 27282 1 200 . 1 1 70 70 PRO CA C 13 62.442 0.300 . 1 . . . . . 93 PRO CA . 27282 1 201 . 1 1 70 70 PRO CB C 13 30.965 0.300 . 1 . . . . . 93 PRO CB . 27282 1 202 . 1 1 71 71 MET H H 1 8.452 0.020 . 1 . . . . . 94 MET H . 27282 1 203 . 1 1 71 71 MET C C 13 176.049 0.300 . 1 . . . . . 94 MET C . 27282 1 204 . 1 1 71 71 MET CA C 13 54.927 0.300 . 1 . . . . . 94 MET CA . 27282 1 205 . 1 1 71 71 MET CB C 13 31.926 0.300 . 1 . . . . . 94 MET CB . 27282 1 206 . 1 1 71 71 MET N N 15 120.541 0.300 . 1 . . . . . 94 MET N . 27282 1 207 . 1 1 72 72 ARG H H 1 8.356 0.020 . 1 . . . . . 95 ARG H . 27282 1 208 . 1 1 72 72 ARG C C 13 175.181 0.300 . 1 . . . . . 95 ARG C . 27282 1 209 . 1 1 72 72 ARG CA C 13 55.429 0.300 . 1 . . . . . 95 ARG CA . 27282 1 210 . 1 1 72 72 ARG CB C 13 29.973 0.300 . 1 . . . . . 95 ARG CB . 27282 1 211 . 1 1 72 72 ARG N N 15 122.837 0.300 . 1 . . . . . 95 ARG N . 27282 1 212 . 1 1 73 73 GLU H H 1 8.075 0.020 . 1 . . . . . 96 GLU H . 27282 1 213 . 1 1 73 73 GLU CA C 13 57.551 0.300 . 1 . . . . . 96 GLU CA . 27282 1 214 . 1 1 73 73 GLU CB C 13 30.180 0.300 . 1 . . . . . 96 GLU CB . 27282 1 215 . 1 1 73 73 GLU N N 15 127.174 0.300 . 1 . . . . . 96 GLU N . 27282 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27282 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27282 2 2 '3D HNCACB' . . . 27282 2 4 '3D HNCA' . . . 27282 2 6 '3D HNCO' . . . 27282 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 27282 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 3 3 GLY C C 13 173.712 0.300 . 1 . . . . . 2 GLY C . 27282 2 2 . 2 2 3 3 GLY CA C 13 44.728 0.300 . 1 . . . . . 2 GLY CA . 27282 2 3 . 2 2 4 4 ALA H H 1 8.128 0.020 . 1 . . . . . 3 ALA H . 27282 2 4 . 2 2 4 4 ALA C C 13 177.724 0.300 . 1 . . . . . 3 ALA C . 27282 2 5 . 2 2 4 4 ALA CA C 13 51.803 0.300 . 1 . . . . . 3 ALA CA . 27282 2 6 . 2 2 4 4 ALA CB C 13 18.330 0.300 . 1 . . . . . 3 ALA CB . 27282 2 7 . 2 2 4 4 ALA N N 15 123.614 0.300 . 1 . . . . . 3 ALA N . 27282 2 8 . 2 2 5 5 LEU H H 1 8.064 0.020 . 1 . . . . . 4 LEU H . 27282 2 9 . 2 2 5 5 LEU C C 13 176.960 0.300 . 1 . . . . . 4 LEU C . 27282 2 10 . 2 2 5 5 LEU CA C 13 54.928 0.300 . 1 . . . . . 4 LEU CA . 27282 2 11 . 2 2 5 5 LEU CB C 13 41.102 0.300 . 1 . . . . . 4 LEU CB . 27282 2 12 . 2 2 5 5 LEU N N 15 120.488 0.300 . 1 . . . . . 4 LEU N . 27282 2 13 . 2 2 6 6 TRP H H 1 7.652 0.020 . 1 . . . . . 5 TRP H . 27282 2 14 . 2 2 6 6 TRP C C 13 175.611 0.300 . 1 . . . . . 5 TRP C . 27282 2 15 . 2 2 6 6 TRP CA C 13 56.265 0.300 . 1 . . . . . 5 TRP CA . 27282 2 16 . 2 2 6 6 TRP CB C 13 28.935 0.300 . 1 . . . . . 5 TRP CB . 27282 2 17 . 2 2 6 6 TRP N N 15 118.740 0.300 . 1 . . . . . 5 TRP N . 27282 2 18 . 2 2 7 7 ASP H H 1 8.094 0.020 . 1 . . . . . 6 ASP H . 27282 2 19 . 2 2 7 7 ASP C C 13 175.459 0.300 . 1 . . . . . 6 ASP C . 27282 2 20 . 2 2 7 7 ASP CA C 13 53.586 0.300 . 1 . . . . . 6 ASP CA . 27282 2 21 . 2 2 7 7 ASP CB C 13 40.420 0.300 . 1 . . . . . 6 ASP CB . 27282 2 22 . 2 2 7 7 ASP N N 15 121.477 0.300 . 1 . . . . . 6 ASP N . 27282 2 23 . 2 2 8 8 VAL H H 1 7.906 0.020 . 1 . . . . . 7 VAL H . 27282 2 24 . 2 2 8 8 VAL CA C 13 59.338 0.300 . 1 . . . . . 7 VAL CA . 27282 2 25 . 2 2 8 8 VAL CB C 13 32.105 0.300 . 1 . . . . . 7 VAL CB . 27282 2 26 . 2 2 8 8 VAL N N 15 121.096 0.300 . 1 . . . . . 7 VAL N . 27282 2 27 . 2 2 9 9 PRO C C 13 176.238 0.300 . 1 . . . . . 8 PRO C . 27282 2 28 . 2 2 9 9 PRO CA C 13 62.426 0.300 . 1 . . . . . 8 PRO CA . 27282 2 29 . 2 2 9 9 PRO CB C 13 31.144 0.300 . 1 . . . . . 8 PRO CB . 27282 2 30 . 2 2 10 10 ALA H H 1 8.339 0.020 . 1 . . . . . 9 ALA H . 27282 2 31 . 2 2 10 10 ALA CA C 13 49.896 0.300 . 1 . . . . . 9 ALA CA . 27282 2 32 . 2 2 10 10 ALA CB C 13 17.115 0.300 . 1 . . . . . 9 ALA CB . 27282 2 33 . 2 2 10 10 ALA N N 15 125.193 0.300 . 1 . . . . . 9 ALA N . 27282 2 34 . 2 2 13 13 GLU C C 13 176.170 0.300 . 1 . . . . . 12 GLU C . 27282 2 35 . 2 2 13 13 GLU CA C 13 55.786 0.300 . 1 . . . . . 12 GLU CA . 27282 2 36 . 2 2 13 13 GLU CB C 13 29.381 0.300 . 1 . . . . . 12 GLU CB . 27282 2 37 . 2 2 14 14 VAL H H 1 8.260 0.020 . 1 . . . . . 13 VAL H . 27282 2 38 . 2 2 14 14 VAL C C 13 175.995 0.300 . 1 . . . . . 13 VAL C . 27282 2 39 . 2 2 14 14 VAL CA C 13 61.792 0.300 . 1 . . . . . 13 VAL CA . 27282 2 40 . 2 2 14 14 VAL CB C 13 32.310 0.300 . 1 . . . . . 13 VAL CB . 27282 2 41 . 2 2 14 14 VAL N N 15 122.294 0.300 . 1 . . . . . 13 VAL N . 27282 2 42 . 2 2 15 15 LYS H H 1 8.446 0.020 . 1 . . . . . 14 LYS H . 27282 2 43 . 2 2 15 15 LYS C C 13 176.253 0.300 . 1 . . . . . 14 LYS C . 27282 2 44 . 2 2 15 15 LYS CA C 13 55.295 0.300 . 1 . . . . . 14 LYS CA . 27282 2 45 . 2 2 15 15 LYS CB C 13 32.114 0.300 . 1 . . . . . 14 LYS CB . 27282 2 46 . 2 2 15 15 LYS N N 15 125.746 0.300 . 1 . . . . . 14 LYS N . 27282 2 47 . 2 2 16 16 LYS H H 1 8.488 0.020 . 1 . . . . . 15 LYS H . 27282 2 48 . 2 2 16 16 LYS C C 13 177.381 0.300 . 1 . . . . . 15 LYS C . 27282 2 49 . 2 2 16 16 LYS CA C 13 56.070 0.300 . 1 . . . . . 15 LYS CA . 27282 2 50 . 2 2 16 16 LYS CB C 13 32.137 0.300 . 1 . . . . . 15 LYS CB . 27282 2 51 . 2 2 16 16 LYS N N 15 123.574 0.300 . 1 . . . . . 15 LYS N . 27282 2 52 . 2 2 17 17 GLY H H 1 8.352 0.020 . 1 . . . . . 16 GLY H . 27282 2 53 . 2 2 17 17 GLY C C 13 172.883 0.300 . 1 . . . . . 16 GLY C . 27282 2 54 . 2 2 17 17 GLY CA C 13 44.368 0.300 . 1 . . . . . 16 GLY CA . 27282 2 55 . 2 2 17 17 GLY N N 15 109.981 0.300 . 1 . . . . . 16 GLY N . 27282 2 56 . 2 2 18 18 GLU H H 1 7.796 0.020 . 1 . . . . . 17 GLU H . 27282 2 57 . 2 2 18 18 GLU C C 13 177.447 0.300 . 1 . . . . . 17 GLU C . 27282 2 58 . 2 2 18 18 GLU CA C 13 56.279 0.300 . 1 . . . . . 17 GLU CA . 27282 2 59 . 2 2 18 18 GLU CB C 13 29.317 0.300 . 1 . . . . . 17 GLU CB . 27282 2 60 . 2 2 18 18 GLU N N 15 120.461 0.300 . 1 . . . . . 17 GLU N . 27282 2 61 . 2 2 19 19 THR H H 1 8.471 0.020 . 1 . . . . . 18 THR H . 27282 2 62 . 2 2 19 19 THR C C 13 174.209 0.300 . 1 . . . . . 18 THR C . 27282 2 63 . 2 2 19 19 THR CA C 13 60.049 0.300 . 1 . . . . . 18 THR CA . 27282 2 64 . 2 2 19 19 THR CB C 13 68.696 0.300 . 1 . . . . . 18 THR CB . 27282 2 65 . 2 2 19 19 THR N N 15 113.731 0.300 . 1 . . . . . 18 THR N . 27282 2 66 . 2 2 20 20 THR H H 1 7.744 0.020 . 1 . . . . . 19 THR H . 27282 2 67 . 2 2 20 20 THR C C 13 175.873 0.300 . 1 . . . . . 19 THR C . 27282 2 68 . 2 2 20 20 THR CA C 13 62.307 0.300 . 1 . . . . . 19 THR CA . 27282 2 69 . 2 2 20 20 THR CB C 13 68.956 0.300 . 1 . . . . . 19 THR CB . 27282 2 70 . 2 2 20 20 THR N N 15 116.524 0.300 . 1 . . . . . 19 THR N . 27282 2 71 . 2 2 21 21 ASP H H 1 8.933 0.020 . 1 . . . . . 20 ASP H . 27282 2 72 . 2 2 21 21 ASP C C 13 176.915 0.300 . 1 . . . . . 20 ASP C . 27282 2 73 . 2 2 21 21 ASP CA C 13 55.078 0.300 . 1 . . . . . 20 ASP CA . 27282 2 74 . 2 2 21 21 ASP CB C 13 40.037 0.300 . 1 . . . . . 20 ASP CB . 27282 2 75 . 2 2 21 21 ASP N N 15 126.661 0.300 . 1 . . . . . 20 ASP N . 27282 2 76 . 2 2 22 22 GLY H H 1 8.753 0.020 . 1 . . . . . 21 GLY H . 27282 2 77 . 2 2 22 22 GLY C C 13 171.561 0.300 . 1 . . . . . 21 GLY C . 27282 2 78 . 2 2 22 22 GLY CA C 13 44.881 0.300 . 1 . . . . . 21 GLY CA . 27282 2 79 . 2 2 22 22 GLY N N 15 106.814 0.300 . 1 . . . . . 21 GLY N . 27282 2 80 . 2 2 23 23 VAL H H 1 8.683 0.020 . 1 . . . . . 22 VAL H . 27282 2 81 . 2 2 23 23 VAL CA C 13 59.018 0.300 . 1 . . . . . 22 VAL CA . 27282 2 82 . 2 2 23 23 VAL CB C 13 33.720 0.300 . 1 . . . . . 22 VAL CB . 27282 2 83 . 2 2 23 23 VAL N N 15 118.473 0.300 . 1 . . . . . 22 VAL N . 27282 2 84 . 2 2 27 27 MET C C 13 175.675 0.300 . 1 . . . . . 26 MET C . 27282 2 85 . 2 2 27 27 MET CA C 13 51.357 0.300 . 1 . . . . . 26 MET CA . 27282 2 86 . 2 2 27 27 MET CB C 13 32.078 0.300 . 1 . . . . . 26 MET CB . 27282 2 87 . 2 2 28 28 THR H H 1 8.866 0.020 . 1 . . . . . 27 THR H . 27282 2 88 . 2 2 28 28 THR C C 13 173.615 0.300 . 1 . . . . . 27 THR C . 27282 2 89 . 2 2 28 28 THR CA C 13 59.326 0.300 . 1 . . . . . 27 THR CA . 27282 2 90 . 2 2 28 28 THR CB C 13 70.641 0.300 . 1 . . . . . 27 THR CB . 27282 2 91 . 2 2 28 28 THR N N 15 111.599 0.300 . 1 . . . . . 27 THR N . 27282 2 92 . 2 2 29 29 ARG H H 1 8.664 0.020 . 1 . . . . . 28 ARG H . 27282 2 93 . 2 2 29 29 ARG C C 13 175.586 0.300 . 1 . . . . . 28 ARG C . 27282 2 94 . 2 2 29 29 ARG CA C 13 56.017 0.300 . 1 . . . . . 28 ARG CA . 27282 2 95 . 2 2 29 29 ARG CB C 13 30.400 0.300 . 1 . . . . . 28 ARG CB . 27282 2 96 . 2 2 29 29 ARG N N 15 125.810 0.300 . 1 . . . . . 28 ARG N . 27282 2 97 . 2 2 30 30 ARG H H 1 8.268 0.020 . 1 . . . . . 29 ARG H . 27282 2 98 . 2 2 30 30 ARG CA C 13 54.276 0.300 . 1 . . . . . 29 ARG CA . 27282 2 99 . 2 2 30 30 ARG CB C 13 30.751 0.300 . 1 . . . . . 29 ARG CB . 27282 2 100 . 2 2 30 30 ARG N N 15 124.866 0.300 . 1 . . . . . 29 ARG N . 27282 2 101 . 2 2 31 31 LEU C C 13 178.177 0.300 . 1 . . . . . 30 LEU C . 27282 2 102 . 2 2 31 31 LEU CA C 13 57.653 0.300 . 1 . . . . . 30 LEU CA . 27282 2 103 . 2 2 31 31 LEU CB C 13 40.131 0.300 . 1 . . . . . 30 LEU CB . 27282 2 104 . 2 2 32 32 LEU H H 1 8.040 0.020 . 1 . . . . . 31 LEU H . 27282 2 105 . 2 2 32 32 LEU C C 13 176.868 0.300 . 1 . . . . . 31 LEU C . 27282 2 106 . 2 2 32 32 LEU CA C 13 54.415 0.300 . 1 . . . . . 31 LEU CA . 27282 2 107 . 2 2 32 32 LEU CB C 13 40.610 0.300 . 1 . . . . . 31 LEU CB . 27282 2 108 . 2 2 32 32 LEU N N 15 116.412 0.300 . 1 . . . . . 31 LEU N . 27282 2 109 . 2 2 33 33 GLY H H 1 7.715 0.020 . 1 . . . . . 32 GLY H . 27282 2 110 . 2 2 33 33 GLY C C 13 173.031 0.300 . 1 . . . . . 32 GLY C . 27282 2 111 . 2 2 33 33 GLY CA C 13 44.551 0.300 . 1 . . . . . 32 GLY CA . 27282 2 112 . 2 2 33 33 GLY N N 15 108.065 0.300 . 1 . . . . . 32 GLY N . 27282 2 113 . 2 2 34 34 SER H H 1 8.602 0.020 . 1 . . . . . 33 SER H . 27282 2 114 . 2 2 34 34 SER C C 13 173.726 0.300 . 1 . . . . . 33 SER C . 27282 2 115 . 2 2 34 34 SER CA C 13 57.389 0.300 . 1 . . . . . 33 SER CA . 27282 2 116 . 2 2 34 34 SER CB C 13 65.226 0.300 . 1 . . . . . 33 SER CB . 27282 2 117 . 2 2 34 34 SER N N 15 116.776 0.300 . 1 . . . . . 33 SER N . 27282 2 118 . 2 2 35 35 THR H H 1 8.748 0.020 . 1 . . . . . 34 THR H . 27282 2 119 . 2 2 35 35 THR C C 13 172.404 0.300 . 1 . . . . . 34 THR C . 27282 2 120 . 2 2 35 35 THR CA C 13 60.671 0.300 . 1 . . . . . 34 THR CA . 27282 2 121 . 2 2 35 35 THR CB C 13 71.412 0.300 . 1 . . . . . 34 THR CB . 27282 2 122 . 2 2 35 35 THR N N 15 117.673 0.300 . 1 . . . . . 34 THR N . 27282 2 123 . 2 2 36 36 GLN H H 1 8.972 0.020 . 1 . . . . . 35 GLN H . 27282 2 124 . 2 2 36 36 GLN C C 13 175.515 0.300 . 1 . . . . . 35 GLN C . 27282 2 125 . 2 2 36 36 GLN CA C 13 55.790 0.300 . 1 . . . . . 35 GLN CA . 27282 2 126 . 2 2 36 36 GLN CB C 13 28.874 0.300 . 1 . . . . . 35 GLN CB . 27282 2 127 . 2 2 36 36 GLN N N 15 127.336 0.300 . 1 . . . . . 35 GLN N . 27282 2 128 . 2 2 37 37 VAL H H 1 8.927 0.020 . 1 . . . . . 36 VAL H . 27282 2 129 . 2 2 37 37 VAL CA C 13 60.734 0.300 . 1 . . . . . 36 VAL CA . 27282 2 130 . 2 2 37 37 VAL CB C 13 32.062 0.300 . 1 . . . . . 36 VAL CB . 27282 2 131 . 2 2 37 37 VAL N N 15 121.045 0.300 . 1 . . . . . 36 VAL N . 27282 2 132 . 2 2 38 38 GLY C C 13 170.427 0.300 . 1 . . . . . 37 GLY C . 27282 2 133 . 2 2 38 38 GLY CA C 13 45.858 0.300 . 1 . . . . . 37 GLY CA . 27282 2 134 . 2 2 39 39 VAL H H 1 8.721 0.020 . 1 . . . . . 38 VAL H . 27282 2 135 . 2 2 39 39 VAL CA C 13 59.981 0.300 . 1 . . . . . 38 VAL CA . 27282 2 136 . 2 2 39 39 VAL CB C 13 36.958 0.300 . 1 . . . . . 38 VAL CB . 27282 2 137 . 2 2 39 39 VAL N N 15 122.292 0.300 . 1 . . . . . 38 VAL N . 27282 2 138 . 2 2 41 41 VAL CA C 13 60.460 0.300 . 1 . . . . . 40 VAL CA . 27282 2 139 . 2 2 42 42 MET H H 1 9.907 0.020 . 1 . . . . . 41 MET H . 27282 2 140 . 2 2 42 42 MET CA C 13 52.980 0.300 . 1 . . . . . 41 MET CA . 27282 2 141 . 2 2 42 42 MET N N 15 133.618 0.300 . 1 . . . . . 41 MET N . 27282 2 142 . 2 2 43 43 GLN H H 1 9.321 0.020 . 1 . . . . . 42 GLN H . 27282 2 143 . 2 2 43 43 GLN C C 13 174.654 0.300 . 1 . . . . . 42 GLN C . 27282 2 144 . 2 2 43 43 GLN CA C 13 56.261 0.300 . 1 . . . . . 42 GLN CA . 27282 2 145 . 2 2 43 43 GLN CB C 13 31.957 0.300 . 1 . . . . . 42 GLN CB . 27282 2 146 . 2 2 43 43 GLN N N 15 128.985 0.300 . 1 . . . . . 42 GLN N . 27282 2 147 . 2 2 44 44 GLU H H 1 9.441 0.020 . 1 . . . . . 43 GLU H . 27282 2 148 . 2 2 44 44 GLU C C 13 175.882 0.300 . 1 . . . . . 43 GLU C . 27282 2 149 . 2 2 44 44 GLU CA C 13 56.989 0.300 . 1 . . . . . 43 GLU CA . 27282 2 150 . 2 2 44 44 GLU CB C 13 27.387 0.300 . 1 . . . . . 43 GLU CB . 27282 2 151 . 2 2 44 44 GLU N N 15 124.796 0.300 . 1 . . . . . 43 GLU N . 27282 2 152 . 2 2 45 45 GLY H H 1 9.300 0.020 . 1 . . . . . 44 GLY H . 27282 2 153 . 2 2 45 45 GLY CA C 13 44.971 0.300 . 1 . . . . . 44 GLY CA . 27282 2 154 . 2 2 45 45 GLY N N 15 104.332 0.300 . 1 . . . . . 44 GLY N . 27282 2 155 . 2 2 50 50 MET C C 13 177.416 0.300 . 1 . . . . . 49 MET C . 27282 2 156 . 2 2 50 50 MET CA C 13 54.188 0.300 . 1 . . . . . 49 MET CA . 27282 2 157 . 2 2 51 51 TRP H H 1 7.131 0.020 . 1 . . . . . 50 TRP H . 27282 2 158 . 2 2 51 51 TRP C C 13 178.808 0.300 . 1 . . . . . 50 TRP C . 27282 2 159 . 2 2 51 51 TRP CA C 13 60.695 0.300 . 1 . . . . . 50 TRP CA . 27282 2 160 . 2 2 51 51 TRP N N 15 124.877 0.300 . 1 . . . . . 50 TRP N . 27282 2 161 . 2 2 52 52 HIS H H 1 10.389 0.020 . 1 . . . . . 51 HIS H . 27282 2 162 . 2 2 52 52 HIS C C 13 175.346 0.300 . 1 . . . . . 51 HIS C . 27282 2 163 . 2 2 52 52 HIS CA C 13 58.730 0.300 . 1 . . . . . 51 HIS CA . 27282 2 164 . 2 2 52 52 HIS CB C 13 26.871 0.300 . 1 . . . . . 51 HIS CB . 27282 2 165 . 2 2 52 52 HIS N N 15 113.414 0.300 . 1 . . . . . 51 HIS N . 27282 2 166 . 2 2 53 53 VAL H H 1 7.022 0.020 . 1 . . . . . 52 VAL H . 27282 2 167 . 2 2 53 53 VAL C C 13 175.529 0.300 . 1 . . . . . 52 VAL C . 27282 2 168 . 2 2 53 53 VAL CA C 13 64.851 0.300 . 1 . . . . . 52 VAL CA . 27282 2 169 . 2 2 53 53 VAL CB C 13 30.795 0.300 . 1 . . . . . 52 VAL CB . 27282 2 170 . 2 2 53 53 VAL N N 15 119.510 0.300 . 1 . . . . . 52 VAL N . 27282 2 171 . 2 2 54 54 THR H H 1 6.374 0.020 . 1 . . . . . 53 THR H . 27282 2 172 . 2 2 54 54 THR C C 13 175.858 0.300 . 1 . . . . . 53 THR C . 27282 2 173 . 2 2 54 54 THR CA C 13 59.760 0.300 . 1 . . . . . 53 THR CA . 27282 2 174 . 2 2 54 54 THR CB C 13 70.022 0.300 . 1 . . . . . 53 THR CB . 27282 2 175 . 2 2 54 54 THR N N 15 101.278 0.300 . 1 . . . . . 53 THR N . 27282 2 176 . 2 2 55 55 LYS H H 1 9.158 0.020 . 1 . . . . . 54 LYS H . 27282 2 177 . 2 2 55 55 LYS C C 13 175.687 0.300 . 1 . . . . . 54 LYS C . 27282 2 178 . 2 2 55 55 LYS CA C 13 55.597 0.300 . 1 . . . . . 54 LYS CA . 27282 2 179 . 2 2 55 55 LYS CB C 13 28.530 0.300 . 1 . . . . . 54 LYS CB . 27282 2 180 . 2 2 55 55 LYS N N 15 121.798 0.300 . 1 . . . . . 54 LYS N . 27282 2 181 . 2 2 56 56 GLY H H 1 7.025 0.020 . 1 . . . . . 55 GLY H . 27282 2 182 . 2 2 56 56 GLY C C 13 173.000 0.300 . 1 . . . . . 55 GLY C . 27282 2 183 . 2 2 56 56 GLY CA C 13 44.700 0.300 . 1 . . . . . 55 GLY CA . 27282 2 184 . 2 2 56 56 GLY N N 15 101.427 0.300 . 1 . . . . . 55 GLY N . 27282 2 185 . 2 2 57 57 ALA H H 1 7.343 0.020 . 1 . . . . . 56 ALA H . 27282 2 186 . 2 2 57 57 ALA C C 13 177.791 0.300 . 1 . . . . . 56 ALA C . 27282 2 187 . 2 2 57 57 ALA CA C 13 51.564 0.300 . 1 . . . . . 56 ALA CA . 27282 2 188 . 2 2 57 57 ALA CB C 13 18.860 0.300 . 1 . . . . . 56 ALA CB . 27282 2 189 . 2 2 57 57 ALA N N 15 121.098 0.300 . 1 . . . . . 56 ALA N . 27282 2 190 . 2 2 58 58 ALA H H 1 8.608 0.020 . 1 . . . . . 57 ALA H . 27282 2 191 . 2 2 58 58 ALA C C 13 175.847 0.300 . 1 . . . . . 57 ALA C . 27282 2 192 . 2 2 58 58 ALA CA C 13 52.694 0.300 . 1 . . . . . 57 ALA CA . 27282 2 193 . 2 2 58 58 ALA CB C 13 18.019 0.300 . 1 . . . . . 57 ALA CB . 27282 2 194 . 2 2 58 58 ALA N N 15 123.197 0.300 . 1 . . . . . 57 ALA N . 27282 2 195 . 2 2 59 59 LEU H H 1 8.195 0.020 . 1 . . . . . 58 LEU H . 27282 2 196 . 2 2 59 59 LEU C C 13 176.665 0.300 . 1 . . . . . 58 LEU C . 27282 2 197 . 2 2 59 59 LEU CA C 13 51.726 0.300 . 1 . . . . . 58 LEU CA . 27282 2 198 . 2 2 59 59 LEU CB C 13 45.112 0.300 . 1 . . . . . 58 LEU CB . 27282 2 199 . 2 2 59 59 LEU N N 15 116.489 0.300 . 1 . . . . . 58 LEU N . 27282 2 200 . 2 2 60 60 ARG H H 1 8.611 0.020 . 1 . . . . . 59 ARG H . 27282 2 201 . 2 2 60 60 ARG C C 13 175.268 0.300 . 1 . . . . . 59 ARG C . 27282 2 202 . 2 2 60 60 ARG CA C 13 55.396 0.300 . 1 . . . . . 59 ARG CA . 27282 2 203 . 2 2 60 60 ARG CB C 13 29.670 0.300 . 1 . . . . . 59 ARG CB . 27282 2 204 . 2 2 60 60 ARG N N 15 122.140 0.300 . 1 . . . . . 59 ARG N . 27282 2 205 . 2 2 61 61 SER H H 1 7.988 0.020 . 1 . . . . . 60 SER H . 27282 2 206 . 2 2 61 61 SER C C 13 175.345 0.300 . 1 . . . . . 60 SER C . 27282 2 207 . 2 2 61 61 SER CA C 13 55.271 0.300 . 1 . . . . . 60 SER CA . 27282 2 208 . 2 2 61 61 SER CB C 13 62.431 0.300 . 1 . . . . . 60 SER CB . 27282 2 209 . 2 2 61 61 SER N N 15 117.020 0.300 . 1 . . . . . 60 SER N . 27282 2 210 . 2 2 62 62 GLY H H 1 9.398 0.020 . 1 . . . . . 61 GLY H . 27282 2 211 . 2 2 62 62 GLY C C 13 174.952 0.300 . 1 . . . . . 61 GLY C . 27282 2 212 . 2 2 62 62 GLY CA C 13 46.529 0.300 . 1 . . . . . 61 GLY CA . 27282 2 213 . 2 2 62 62 GLY N N 15 118.503 0.300 . 1 . . . . . 61 GLY N . 27282 2 214 . 2 2 63 63 GLU H H 1 9.076 0.020 . 1 . . . . . 62 GLU H . 27282 2 215 . 2 2 63 63 GLU C C 13 176.538 0.300 . 1 . . . . . 62 GLU C . 27282 2 216 . 2 2 63 63 GLU CA C 13 55.893 0.300 . 1 . . . . . 62 GLU CA . 27282 2 217 . 2 2 63 63 GLU CB C 13 29.095 0.300 . 1 . . . . . 62 GLU CB . 27282 2 218 . 2 2 63 63 GLU N N 15 125.522 0.300 . 1 . . . . . 62 GLU N . 27282 2 219 . 2 2 64 64 GLY H H 1 7.864 0.020 . 1 . . . . . 63 GLY H . 27282 2 220 . 2 2 64 64 GLY C C 13 172.153 0.300 . 1 . . . . . 63 GLY C . 27282 2 221 . 2 2 64 64 GLY CA C 13 43.888 0.300 . 1 . . . . . 63 GLY CA . 27282 2 222 . 2 2 64 64 GLY N N 15 107.047 0.300 . 1 . . . . . 63 GLY N . 27282 2 223 . 2 2 65 65 ARG H H 1 8.483 0.020 . 1 . . . . . 64 ARG H . 27282 2 224 . 2 2 65 65 ARG C C 13 174.906 0.300 . 1 . . . . . 64 ARG C . 27282 2 225 . 2 2 65 65 ARG CA C 13 54.488 0.300 . 1 . . . . . 64 ARG CA . 27282 2 226 . 2 2 65 65 ARG CB C 13 32.845 0.300 . 1 . . . . . 64 ARG CB . 27282 2 227 . 2 2 65 65 ARG N N 15 121.122 0.300 . 1 . . . . . 64 ARG N . 27282 2 228 . 2 2 66 66 LEU H H 1 9.629 0.020 . 1 . . . . . 65 LEU H . 27282 2 229 . 2 2 66 66 LEU C C 13 175.069 0.300 . 1 . . . . . 65 LEU C . 27282 2 230 . 2 2 66 66 LEU CA C 13 53.153 0.300 . 1 . . . . . 65 LEU CA . 27282 2 231 . 2 2 66 66 LEU CB C 13 41.282 0.300 . 1 . . . . . 65 LEU CB . 27282 2 232 . 2 2 66 66 LEU N N 15 125.797 0.300 . 1 . . . . . 65 LEU N . 27282 2 233 . 2 2 67 67 ASP H H 1 8.716 0.020 . 1 . . . . . 66 ASP H . 27282 2 234 . 2 2 67 67 ASP CA C 13 51.712 0.300 . 1 . . . . . 66 ASP CA . 27282 2 235 . 2 2 67 67 ASP CB C 13 41.160 0.300 . 1 . . . . . 66 ASP CB . 27282 2 236 . 2 2 67 67 ASP N N 15 123.285 0.300 . 1 . . . . . 66 ASP N . 27282 2 237 . 2 2 68 68 PRO CA C 13 62.698 0.300 . 1 . . . . . 67 PRO CA . 27282 2 238 . 2 2 68 68 PRO CB C 13 29.936 0.300 . 1 . . . . . 67 PRO CB . 27282 2 239 . 2 2 69 69 TYR H H 1 9.649 0.020 . 1 . . . . . 68 TYR H . 27282 2 240 . 2 2 69 69 TYR CA C 13 58.685 0.300 . 1 . . . . . 68 TYR CA . 27282 2 241 . 2 2 69 69 TYR CB C 13 41.977 0.300 . 1 . . . . . 68 TYR CB . 27282 2 242 . 2 2 69 69 TYR N N 15 124.763 0.300 . 1 . . . . . 68 TYR N . 27282 2 243 . 2 2 70 70 TRP H H 1 8.077 0.020 . 1 . . . . . 69 TRP H . 27282 2 244 . 2 2 70 70 TRP C C 13 173.020 0.300 . 1 . . . . . 69 TRP C . 27282 2 245 . 2 2 70 70 TRP CA C 13 56.350 0.300 . 1 . . . . . 69 TRP CA . 27282 2 246 . 2 2 70 70 TRP CB C 13 30.648 0.300 . 1 . . . . . 69 TRP CB . 27282 2 247 . 2 2 70 70 TRP N N 15 120.832 0.300 . 1 . . . . . 69 TRP N . 27282 2 248 . 2 2 71 71 GLY H H 1 6.980 0.020 . 1 . . . . . 70 GLY H . 27282 2 249 . 2 2 71 71 GLY C C 13 170.310 0.300 . 1 . . . . . 70 GLY C . 27282 2 250 . 2 2 71 71 GLY CA C 13 45.170 0.300 . 1 . . . . . 70 GLY CA . 27282 2 251 . 2 2 71 71 GLY N N 15 111.559 0.300 . 1 . . . . . 70 GLY N . 27282 2 252 . 2 2 72 72 ASP H H 1 7.876 0.020 . 1 . . . . . 71 ASP H . 27282 2 253 . 2 2 72 72 ASP C C 13 175.826 0.300 . 1 . . . . . 71 ASP C . 27282 2 254 . 2 2 72 72 ASP CA C 13 52.838 0.300 . 1 . . . . . 71 ASP CA . 27282 2 255 . 2 2 72 72 ASP CB C 13 43.878 0.300 . 1 . . . . . 71 ASP CB . 27282 2 256 . 2 2 72 72 ASP N N 15 117.797 0.300 . 1 . . . . . 71 ASP N . 27282 2 257 . 2 2 73 73 VAL H H 1 8.125 0.020 . 1 . . . . . 72 VAL H . 27282 2 258 . 2 2 73 73 VAL C C 13 176.595 0.300 . 1 . . . . . 72 VAL C . 27282 2 259 . 2 2 73 73 VAL CA C 13 64.778 0.300 . 1 . . . . . 72 VAL CA . 27282 2 260 . 2 2 73 73 VAL CB C 13 30.886 0.300 . 1 . . . . . 72 VAL CB . 27282 2 261 . 2 2 73 73 VAL N N 15 125.651 0.300 . 1 . . . . . 72 VAL N . 27282 2 262 . 2 2 74 74 LYS H H 1 7.606 0.020 . 1 . . . . . 73 LYS H . 27282 2 263 . 2 2 74 74 LYS CA C 13 58.770 0.300 . 1 . . . . . 73 LYS CA . 27282 2 264 . 2 2 74 74 LYS CB C 13 31.210 0.300 . 1 . . . . . 73 LYS CB . 27282 2 265 . 2 2 74 74 LYS N N 15 120.356 0.300 . 1 . . . . . 73 LYS N . 27282 2 266 . 2 2 75 75 GLN H H 1 7.686 0.020 . 1 . . . . . 74 GLN H . 27282 2 267 . 2 2 75 75 GLN C C 13 176.012 0.300 . 1 . . . . . 74 GLN C . 27282 2 268 . 2 2 75 75 GLN CA C 13 56.382 0.300 . 1 . . . . . 74 GLN CA . 27282 2 269 . 2 2 75 75 GLN CB C 13 29.182 0.300 . 1 . . . . . 74 GLN CB . 27282 2 270 . 2 2 75 75 GLN N N 15 112.884 0.300 . 1 . . . . . 74 GLN N . 27282 2 271 . 2 2 76 76 ASP H H 1 7.845 0.020 . 1 . . . . . 75 ASP H . 27282 2 272 . 2 2 76 76 ASP C C 13 175.138 0.300 . 1 . . . . . 75 ASP C . 27282 2 273 . 2 2 76 76 ASP CA C 13 54.225 0.300 . 1 . . . . . 75 ASP CA . 27282 2 274 . 2 2 76 76 ASP CB C 13 37.632 0.300 . 1 . . . . . 75 ASP CB . 27282 2 275 . 2 2 76 76 ASP N N 15 115.346 0.300 . 1 . . . . . 75 ASP N . 27282 2 276 . 2 2 77 77 LEU H H 1 7.695 0.020 . 1 . . . . . 76 LEU H . 27282 2 277 . 2 2 77 77 LEU CA C 13 53.452 0.300 . 1 . . . . . 76 LEU CA . 27282 2 278 . 2 2 77 77 LEU CB C 13 47.992 0.300 . 1 . . . . . 76 LEU CB . 27282 2 279 . 2 2 77 77 LEU N N 15 115.715 0.300 . 1 . . . . . 76 LEU N . 27282 2 280 . 2 2 78 78 VAL CA C 13 59.319 0.300 . 1 . . . . . 77 VAL CA . 27282 2 281 . 2 2 79 79 SER H H 1 10.217 0.020 . 1 . . . . . 78 SER H . 27282 2 282 . 2 2 79 79 SER CA C 13 56.319 0.300 . 1 . . . . . 78 SER CA . 27282 2 283 . 2 2 79 79 SER N N 15 121.103 0.300 . 1 . . . . . 78 SER N . 27282 2 284 . 2 2 80 80 TYR C C 13 176.453 0.300 . 1 . . . . . 79 TYR C . 27282 2 285 . 2 2 80 80 TYR CA C 13 57.171 0.300 . 1 . . . . . 79 TYR CA . 27282 2 286 . 2 2 80 80 TYR CB C 13 40.738 0.300 . 1 . . . . . 79 TYR CB . 27282 2 287 . 2 2 81 81 CYS H H 1 8.183 0.020 . 1 . . . . . 80 CYS H . 27282 2 288 . 2 2 81 81 CYS C C 13 173.218 0.300 . 1 . . . . . 80 CYS C . 27282 2 289 . 2 2 81 81 CYS CA C 13 61.308 0.300 . 1 . . . . . 80 CYS CA . 27282 2 290 . 2 2 81 81 CYS CB C 13 26.464 0.300 . 1 . . . . . 80 CYS CB . 27282 2 291 . 2 2 81 81 CYS N N 15 110.878 0.300 . 1 . . . . . 80 CYS N . 27282 2 292 . 2 2 82 82 GLY H H 1 7.239 0.020 . 1 . . . . . 81 GLY H . 27282 2 293 . 2 2 82 82 GLY C C 13 167.915 0.300 . 1 . . . . . 81 GLY C . 27282 2 294 . 2 2 82 82 GLY CA C 13 43.951 0.300 . 1 . . . . . 81 GLY CA . 27282 2 295 . 2 2 82 82 GLY N N 15 107.295 0.300 . 1 . . . . . 81 GLY N . 27282 2 296 . 2 2 83 83 PRO C C 13 172.625 0.300 . 1 . . . . . 82 PRO C . 27282 2 297 . 2 2 83 83 PRO CA C 13 61.605 0.300 . 1 . . . . . 82 PRO CA . 27282 2 298 . 2 2 83 83 PRO CB C 13 31.908 0.300 . 1 . . . . . 82 PRO CB . 27282 2 299 . 2 2 84 84 TRP H H 1 7.813 0.020 . 1 . . . . . 83 TRP H . 27282 2 300 . 2 2 84 84 TRP C C 13 177.977 0.300 . 1 . . . . . 83 TRP C . 27282 2 301 . 2 2 84 84 TRP CA C 13 59.135 0.300 . 1 . . . . . 83 TRP CA . 27282 2 302 . 2 2 84 84 TRP CB C 13 28.454 0.300 . 1 . . . . . 83 TRP CB . 27282 2 303 . 2 2 84 84 TRP N N 15 117.454 0.300 . 1 . . . . . 83 TRP N . 27282 2 304 . 2 2 85 85 LYS H H 1 10.925 0.020 . 1 . . . . . 84 LYS H . 27282 2 305 . 2 2 85 85 LYS C C 13 177.096 0.300 . 1 . . . . . 84 LYS C . 27282 2 306 . 2 2 85 85 LYS CA C 13 54.320 0.300 . 1 . . . . . 84 LYS CA . 27282 2 307 . 2 2 85 85 LYS CB C 13 33.180 0.300 . 1 . . . . . 84 LYS CB . 27282 2 308 . 2 2 85 85 LYS N N 15 127.658 0.300 . 1 . . . . . 84 LYS N . 27282 2 309 . 2 2 86 86 LEU H H 1 5.706 0.020 . 1 . . . . . 85 LEU H . 27282 2 310 . 2 2 86 86 LEU CA C 13 54.549 0.300 . 1 . . . . . 85 LEU CA . 27282 2 311 . 2 2 86 86 LEU CB C 13 38.549 0.300 . 1 . . . . . 85 LEU CB . 27282 2 312 . 2 2 86 86 LEU N N 15 117.912 0.300 . 1 . . . . . 85 LEU N . 27282 2 313 . 2 2 87 87 ASP H H 1 8.239 0.020 . 1 . . . . . 86 ASP H . 27282 2 314 . 2 2 87 87 ASP CA C 13 52.844 0.300 . 1 . . . . . 86 ASP CA . 27282 2 315 . 2 2 87 87 ASP CB C 13 41.637 0.300 . 1 . . . . . 86 ASP CB . 27282 2 316 . 2 2 87 87 ASP N N 15 121.616 0.300 . 1 . . . . . 86 ASP N . 27282 2 317 . 2 2 88 88 ALA H H 1 8.343 0.020 . 1 . . . . . 87 ALA H . 27282 2 318 . 2 2 88 88 ALA C C 13 175.111 0.300 . 1 . . . . . 87 ALA C . 27282 2 319 . 2 2 88 88 ALA CA C 13 52.457 0.300 . 1 . . . . . 87 ALA CA . 27282 2 320 . 2 2 88 88 ALA CB C 13 18.938 0.300 . 1 . . . . . 87 ALA CB . 27282 2 321 . 2 2 88 88 ALA N N 15 125.937 0.300 . 1 . . . . . 87 ALA N . 27282 2 322 . 2 2 89 89 ALA H H 1 8.240 0.020 . 1 . . . . . 88 ALA H . 27282 2 323 . 2 2 89 89 ALA C C 13 178.683 0.300 . 1 . . . . . 88 ALA C . 27282 2 324 . 2 2 89 89 ALA CA C 13 49.254 0.300 . 1 . . . . . 88 ALA CA . 27282 2 325 . 2 2 89 89 ALA CB C 13 22.101 0.300 . 1 . . . . . 88 ALA CB . 27282 2 326 . 2 2 89 89 ALA N N 15 120.139 0.300 . 1 . . . . . 88 ALA N . 27282 2 327 . 2 2 90 90 TRP H H 1 9.382 0.020 . 1 . . . . . 89 TRP H . 27282 2 328 . 2 2 90 90 TRP C C 13 176.722 0.300 . 1 . . . . . 89 TRP C . 27282 2 329 . 2 2 90 90 TRP CA C 13 56.828 0.300 . 1 . . . . . 89 TRP CA . 27282 2 330 . 2 2 90 90 TRP CB C 13 27.576 0.300 . 1 . . . . . 89 TRP CB . 27282 2 331 . 2 2 90 90 TRP N N 15 123.346 0.300 . 1 . . . . . 89 TRP N . 27282 2 332 . 2 2 91 91 ASP H H 1 8.422 0.020 . 1 . . . . . 90 ASP H . 27282 2 333 . 2 2 91 91 ASP CA C 13 53.890 0.300 . 1 . . . . . 90 ASP CA . 27282 2 334 . 2 2 91 91 ASP CB C 13 39.461 0.300 . 1 . . . . . 90 ASP CB . 27282 2 335 . 2 2 91 91 ASP N N 15 129.426 0.300 . 1 . . . . . 90 ASP N . 27282 2 336 . 2 2 92 92 GLY C C 13 173.358 0.300 . 1 . . . . . 91 GLY C . 27282 2 337 . 2 2 92 92 GLY CA C 13 43.819 0.300 . 1 . . . . . 91 GLY CA . 27282 2 338 . 2 2 93 93 LEU H H 1 7.899 0.020 . 1 . . . . . 92 LEU H . 27282 2 339 . 2 2 93 93 LEU C C 13 177.104 0.300 . 1 . . . . . 92 LEU C . 27282 2 340 . 2 2 93 93 LEU CA C 13 55.484 0.300 . 1 . . . . . 92 LEU CA . 27282 2 341 . 2 2 93 93 LEU CB C 13 46.152 0.300 . 1 . . . . . 92 LEU CB . 27282 2 342 . 2 2 93 93 LEU N N 15 118.848 0.300 . 1 . . . . . 92 LEU N . 27282 2 343 . 2 2 94 94 SER H H 1 9.865 0.020 . 1 . . . . . 93 SER H . 27282 2 344 . 2 2 94 94 SER C C 13 174.663 0.300 . 1 . . . . . 93 SER C . 27282 2 345 . 2 2 94 94 SER CA C 13 59.155 0.300 . 1 . . . . . 93 SER CA . 27282 2 346 . 2 2 94 94 SER CB C 13 64.242 0.300 . 1 . . . . . 93 SER CB . 27282 2 347 . 2 2 94 94 SER N N 15 117.563 0.300 . 1 . . . . . 93 SER N . 27282 2 348 . 2 2 95 95 GLU H H 1 8.856 0.020 . 1 . . . . . 94 GLU H . 27282 2 349 . 2 2 95 95 GLU C C 13 175.586 0.300 . 1 . . . . . 94 GLU C . 27282 2 350 . 2 2 95 95 GLU CA C 13 57.400 0.300 . 1 . . . . . 94 GLU CA . 27282 2 351 . 2 2 95 95 GLU CB C 13 30.061 0.300 . 1 . . . . . 94 GLU CB . 27282 2 352 . 2 2 95 95 GLU N N 15 118.939 0.300 . 1 . . . . . 94 GLU N . 27282 2 353 . 2 2 96 96 VAL H H 1 8.948 0.020 . 1 . . . . . 95 VAL H . 27282 2 354 . 2 2 96 96 VAL C C 13 174.919 0.300 . 1 . . . . . 95 VAL C . 27282 2 355 . 2 2 96 96 VAL CA C 13 58.124 0.300 . 1 . . . . . 95 VAL CA . 27282 2 356 . 2 2 96 96 VAL CB C 13 33.838 0.300 . 1 . . . . . 95 VAL CB . 27282 2 357 . 2 2 96 96 VAL N N 15 111.639 0.300 . 1 . . . . . 95 VAL N . 27282 2 358 . 2 2 97 97 GLN H H 1 8.775 0.020 . 1 . . . . . 96 GLN H . 27282 2 359 . 2 2 97 97 GLN C C 13 175.626 0.300 . 1 . . . . . 96 GLN C . 27282 2 360 . 2 2 97 97 GLN CA C 13 53.131 0.300 . 1 . . . . . 96 GLN CA . 27282 2 361 . 2 2 97 97 GLN CB C 13 29.791 0.300 . 1 . . . . . 96 GLN CB . 27282 2 362 . 2 2 97 97 GLN N N 15 115.140 0.300 . 1 . . . . . 96 GLN N . 27282 2 363 . 2 2 98 98 LEU H H 1 9.132 0.020 . 1 . . . . . 97 LEU H . 27282 2 364 . 2 2 98 98 LEU C C 13 173.858 0.300 . 1 . . . . . 97 LEU C . 27282 2 365 . 2 2 98 98 LEU CA C 13 53.107 0.300 . 1 . . . . . 97 LEU CA . 27282 2 366 . 2 2 98 98 LEU CB C 13 43.246 0.300 . 1 . . . . . 97 LEU CB . 27282 2 367 . 2 2 98 98 LEU N N 15 123.598 0.300 . 1 . . . . . 97 LEU N . 27282 2 368 . 2 2 99 99 LEU H H 1 8.705 0.020 . 1 . . . . . 98 LEU H . 27282 2 369 . 2 2 99 99 LEU C C 13 173.607 0.300 . 1 . . . . . 98 LEU C . 27282 2 370 . 2 2 99 99 LEU CA C 13 53.042 0.300 . 1 . . . . . 98 LEU CA . 27282 2 371 . 2 2 99 99 LEU CB C 13 39.577 0.300 . 1 . . . . . 98 LEU CB . 27282 2 372 . 2 2 99 99 LEU N N 15 133.494 0.300 . 1 . . . . . 98 LEU N . 27282 2 373 . 2 2 100 100 ALA H H 1 7.971 0.020 . 1 . . . . . 99 ALA H . 27282 2 374 . 2 2 100 100 ALA C C 13 177.339 0.300 . 1 . . . . . 99 ALA C . 27282 2 375 . 2 2 100 100 ALA CA C 13 51.307 0.300 . 1 . . . . . 99 ALA CA . 27282 2 376 . 2 2 100 100 ALA CB C 13 17.650 0.300 . 1 . . . . . 99 ALA CB . 27282 2 377 . 2 2 100 100 ALA N N 15 122.239 0.300 . 1 . . . . . 99 ALA N . 27282 2 378 . 2 2 101 101 VAL H H 1 7.109 0.020 . 1 . . . . . 100 VAL H . 27282 2 379 . 2 2 101 101 VAL CA C 13 58.373 0.300 . 1 . . . . . 100 VAL CA . 27282 2 380 . 2 2 101 101 VAL CB C 13 29.766 0.300 . 1 . . . . . 100 VAL CB . 27282 2 381 . 2 2 101 101 VAL N N 15 121.563 0.300 . 1 . . . . . 100 VAL N . 27282 2 382 . 2 2 103 103 PRO C C 13 178.170 0.300 . 1 . . . . . 102 PRO C . 27282 2 383 . 2 2 103 103 PRO CA C 13 62.247 0.300 . 1 . . . . . 102 PRO CA . 27282 2 384 . 2 2 103 103 PRO CB C 13 30.760 0.300 . 1 . . . . . 102 PRO CB . 27282 2 385 . 2 2 104 104 GLY H H 1 9.022 0.020 . 1 . . . . . 103 GLY H . 27282 2 386 . 2 2 104 104 GLY C C 13 173.085 0.300 . 1 . . . . . 103 GLY C . 27282 2 387 . 2 2 104 104 GLY CA C 13 45.591 0.300 . 1 . . . . . 103 GLY CA . 27282 2 388 . 2 2 104 104 GLY N N 15 112.084 0.300 . 1 . . . . . 103 GLY N . 27282 2 389 . 2 2 105 105 GLU H H 1 7.666 0.020 . 1 . . . . . 104 GLU H . 27282 2 390 . 2 2 105 105 GLU C C 13 175.307 0.300 . 1 . . . . . 104 GLU C . 27282 2 391 . 2 2 105 105 GLU CA C 13 53.480 0.300 . 1 . . . . . 104 GLU CA . 27282 2 392 . 2 2 105 105 GLU CB C 13 33.142 0.300 . 1 . . . . . 104 GLU CB . 27282 2 393 . 2 2 105 105 GLU N N 15 117.975 0.300 . 1 . . . . . 104 GLU N . 27282 2 394 . 2 2 106 106 ARG H H 1 8.410 0.020 . 1 . . . . . 105 ARG H . 27282 2 395 . 2 2 106 106 ARG C C 13 174.957 0.300 . 1 . . . . . 105 ARG C . 27282 2 396 . 2 2 106 106 ARG CA C 13 55.398 0.300 . 1 . . . . . 105 ARG CA . 27282 2 397 . 2 2 106 106 ARG CB C 13 29.809 0.300 . 1 . . . . . 105 ARG CB . 27282 2 398 . 2 2 106 106 ARG N N 15 119.791 0.300 . 1 . . . . . 105 ARG N . 27282 2 399 . 2 2 107 107 ALA H H 1 8.185 0.020 . 1 . . . . . 106 ALA H . 27282 2 400 . 2 2 107 107 ALA C C 13 177.479 0.300 . 1 . . . . . 106 ALA C . 27282 2 401 . 2 2 107 107 ALA CA C 13 51.483 0.300 . 1 . . . . . 106 ALA CA . 27282 2 402 . 2 2 107 107 ALA CB C 13 18.351 0.300 . 1 . . . . . 106 ALA CB . 27282 2 403 . 2 2 107 107 ALA N N 15 122.085 0.300 . 1 . . . . . 106 ALA N . 27282 2 404 . 2 2 108 108 LYS H H 1 8.851 0.020 . 1 . . . . . 107 LYS H . 27282 2 405 . 2 2 108 108 LYS C C 13 172.919 0.300 . 1 . . . . . 107 LYS C . 27282 2 406 . 2 2 108 108 LYS CA C 13 54.906 0.300 . 1 . . . . . 107 LYS CA . 27282 2 407 . 2 2 108 108 LYS CB C 13 35.109 0.300 . 1 . . . . . 107 LYS CB . 27282 2 408 . 2 2 108 108 LYS N N 15 121.997 0.300 . 1 . . . . . 107 LYS N . 27282 2 409 . 2 2 109 109 ASN H H 1 8.395 0.020 . 1 . . . . . 108 ASN H . 27282 2 410 . 2 2 109 109 ASN C C 13 174.158 0.300 . 1 . . . . . 108 ASN C . 27282 2 411 . 2 2 109 109 ASN CA C 13 52.648 0.300 . 1 . . . . . 108 ASN CA . 27282 2 412 . 2 2 109 109 ASN CB C 13 38.599 0.300 . 1 . . . . . 108 ASN CB . 27282 2 413 . 2 2 109 109 ASN N N 15 121.903 0.300 . 1 . . . . . 108 ASN N . 27282 2 414 . 2 2 110 110 ILE H H 1 8.952 0.020 . 1 . . . . . 109 ILE H . 27282 2 415 . 2 2 110 110 ILE C C 13 173.876 0.300 . 1 . . . . . 109 ILE C . 27282 2 416 . 2 2 110 110 ILE CA C 13 58.978 0.300 . 1 . . . . . 109 ILE CA . 27282 2 417 . 2 2 110 110 ILE CB C 13 39.776 0.300 . 1 . . . . . 109 ILE CB . 27282 2 418 . 2 2 110 110 ILE N N 15 122.205 0.300 . 1 . . . . . 109 ILE N . 27282 2 419 . 2 2 111 111 GLN H H 1 9.196 0.020 . 1 . . . . . 110 GLN H . 27282 2 420 . 2 2 111 111 GLN C C 13 173.433 0.300 . 1 . . . . . 110 GLN C . 27282 2 421 . 2 2 111 111 GLN CA C 13 54.152 0.300 . 1 . . . . . 110 GLN CA . 27282 2 422 . 2 2 111 111 GLN CB C 13 29.988 0.300 . 1 . . . . . 110 GLN CB . 27282 2 423 . 2 2 111 111 GLN N N 15 129.171 0.300 . 1 . . . . . 110 GLN N . 27282 2 424 . 2 2 112 112 THR H H 1 8.850 0.020 . 1 . . . . . 111 THR H . 27282 2 425 . 2 2 112 112 THR C C 13 170.644 0.300 . 1 . . . . . 111 THR C . 27282 2 426 . 2 2 112 112 THR CA C 13 60.405 0.300 . 1 . . . . . 111 THR CA . 27282 2 427 . 2 2 112 112 THR CB C 13 69.552 0.300 . 1 . . . . . 111 THR CB . 27282 2 428 . 2 2 112 112 THR N N 15 117.241 0.300 . 1 . . . . . 111 THR N . 27282 2 429 . 2 2 113 113 LEU H H 1 8.150 0.020 . 1 . . . . . 112 LEU H . 27282 2 430 . 2 2 113 113 LEU CA C 13 50.810 0.300 . 1 . . . . . 112 LEU CA . 27282 2 431 . 2 2 113 113 LEU CB C 13 41.751 0.300 . 1 . . . . . 112 LEU CB . 27282 2 432 . 2 2 113 113 LEU N N 15 128.749 0.300 . 1 . . . . . 112 LEU N . 27282 2 433 . 2 2 114 114 PRO C C 13 177.336 0.300 . 1 . . . . . 113 PRO C . 27282 2 434 . 2 2 114 114 PRO CA C 13 62.794 0.300 . 1 . . . . . 113 PRO CA . 27282 2 435 . 2 2 114 114 PRO CB C 13 30.151 0.300 . 1 . . . . . 113 PRO CB . 27282 2 436 . 2 2 115 115 GLY H H 1 8.457 0.020 . 1 . . . . . 114 GLY H . 27282 2 437 . 2 2 115 115 GLY C C 13 172.646 0.300 . 1 . . . . . 114 GLY C . 27282 2 438 . 2 2 115 115 GLY CA C 13 42.892 0.300 . 1 . . . . . 114 GLY CA . 27282 2 439 . 2 2 115 115 GLY N N 15 106.363 0.300 . 1 . . . . . 114 GLY N . 27282 2 440 . 2 2 116 116 ILE H H 1 8.450 0.020 . 1 . . . . . 115 ILE H . 27282 2 441 . 2 2 116 116 ILE C C 13 175.665 0.300 . 1 . . . . . 115 ILE C . 27282 2 442 . 2 2 116 116 ILE CA C 13 58.818 0.300 . 1 . . . . . 115 ILE CA . 27282 2 443 . 2 2 116 116 ILE CB C 13 42.957 0.300 . 1 . . . . . 115 ILE CB . 27282 2 444 . 2 2 116 116 ILE N N 15 115.734 0.300 . 1 . . . . . 115 ILE N . 27282 2 445 . 2 2 117 117 PHE H H 1 9.500 0.020 . 1 . . . . . 116 PHE H . 27282 2 446 . 2 2 117 117 PHE C C 13 174.807 0.300 . 1 . . . . . 116 PHE C . 27282 2 447 . 2 2 117 117 PHE CA C 13 52.238 0.300 . 1 . . . . . 116 PHE CA . 27282 2 448 . 2 2 117 117 PHE CB C 13 38.059 0.300 . 1 . . . . . 116 PHE CB . 27282 2 449 . 2 2 117 117 PHE N N 15 123.363 0.300 . 1 . . . . . 116 PHE N . 27282 2 450 . 2 2 118 118 LYS H H 1 9.320 0.020 . 1 . . . . . 117 LYS H . 27282 2 451 . 2 2 118 118 LYS C C 13 176.431 0.300 . 1 . . . . . 117 LYS C . 27282 2 452 . 2 2 118 118 LYS CA C 13 55.113 0.300 . 1 . . . . . 117 LYS CA . 27282 2 453 . 2 2 118 118 LYS CB C 13 30.655 0.300 . 1 . . . . . 117 LYS CB . 27282 2 454 . 2 2 118 118 LYS N N 15 124.977 0.300 . 1 . . . . . 117 LYS N . 27282 2 455 . 2 2 119 119 THR H H 1 7.907 0.020 . 1 . . . . . 118 THR H . 27282 2 456 . 2 2 119 119 THR C C 13 176.619 0.300 . 1 . . . . . 118 THR C . 27282 2 457 . 2 2 119 119 THR CA C 13 59.160 0.300 . 1 . . . . . 118 THR CA . 27282 2 458 . 2 2 119 119 THR CB C 13 72.715 0.300 . 1 . . . . . 118 THR CB . 27282 2 459 . 2 2 119 119 THR N N 15 115.128 0.300 . 1 . . . . . 118 THR N . 27282 2 460 . 2 2 120 120 LYS H H 1 9.196 0.020 . 1 . . . . . 119 LYS H . 27282 2 461 . 2 2 120 120 LYS C C 13 176.540 0.300 . 1 . . . . . 119 LYS C . 27282 2 462 . 2 2 120 120 LYS CA C 13 57.921 0.300 . 1 . . . . . 119 LYS CA . 27282 2 463 . 2 2 120 120 LYS CB C 13 30.696 0.300 . 1 . . . . . 119 LYS CB . 27282 2 464 . 2 2 120 120 LYS N N 15 120.663 0.300 . 1 . . . . . 119 LYS N . 27282 2 465 . 2 2 121 121 ASP H H 1 7.911 0.020 . 1 . . . . . 120 ASP H . 27282 2 466 . 2 2 121 121 ASP C C 13 175.062 0.300 . 1 . . . . . 120 ASP C . 27282 2 467 . 2 2 121 121 ASP CA C 13 53.850 0.300 . 1 . . . . . 120 ASP CA . 27282 2 468 . 2 2 121 121 ASP CB C 13 41.772 0.300 . 1 . . . . . 120 ASP CB . 27282 2 469 . 2 2 121 121 ASP N N 15 116.769 0.300 . 1 . . . . . 120 ASP N . 27282 2 470 . 2 2 122 122 GLY H H 1 7.428 0.020 . 1 . . . . . 121 GLY H . 27282 2 471 . 2 2 122 122 GLY C C 13 173.618 0.300 . 1 . . . . . 121 GLY C . 27282 2 472 . 2 2 122 122 GLY CA C 13 43.797 0.300 . 1 . . . . . 121 GLY CA . 27282 2 473 . 2 2 122 122 GLY N N 15 108.263 0.300 . 1 . . . . . 121 GLY N . 27282 2 474 . 2 2 123 123 ASP H H 1 8.684 0.020 . 1 . . . . . 122 ASP H . 27282 2 475 . 2 2 123 123 ASP C C 13 176.733 0.300 . 1 . . . . . 122 ASP C . 27282 2 476 . 2 2 123 123 ASP CA C 13 53.677 0.300 . 1 . . . . . 122 ASP CA . 27282 2 477 . 2 2 123 123 ASP CB C 13 41.048 0.300 . 1 . . . . . 122 ASP CB . 27282 2 478 . 2 2 123 123 ASP N N 15 122.593 0.300 . 1 . . . . . 122 ASP N . 27282 2 479 . 2 2 124 124 ILE H H 1 9.314 0.020 . 1 . . . . . 123 ILE H . 27282 2 480 . 2 2 124 124 ILE C C 13 175.449 0.300 . 1 . . . . . 123 ILE C . 27282 2 481 . 2 2 124 124 ILE CA C 13 59.751 0.300 . 1 . . . . . 123 ILE CA . 27282 2 482 . 2 2 124 124 ILE CB C 13 41.340 0.300 . 1 . . . . . 123 ILE CB . 27282 2 483 . 2 2 124 124 ILE N N 15 122.872 0.300 . 1 . . . . . 123 ILE N . 27282 2 484 . 2 2 125 125 GLY H H 1 9.477 0.020 . 1 . . . . . 124 GLY H . 27282 2 485 . 2 2 125 125 GLY C C 13 171.686 0.300 . 1 . . . . . 124 GLY C . 27282 2 486 . 2 2 125 125 GLY CA C 13 46.414 0.300 . 1 . . . . . 124 GLY CA . 27282 2 487 . 2 2 125 125 GLY N N 15 112.212 0.300 . 1 . . . . . 124 GLY N . 27282 2 488 . 2 2 126 126 ALA H H 1 7.588 0.020 . 1 . . . . . 125 ALA H . 27282 2 489 . 2 2 126 126 ALA C C 13 175.890 0.300 . 1 . . . . . 125 ALA C . 27282 2 490 . 2 2 126 126 ALA CA C 13 49.978 0.300 . 1 . . . . . 125 ALA CA . 27282 2 491 . 2 2 126 126 ALA CB C 13 20.851 0.300 . 1 . . . . . 125 ALA CB . 27282 2 492 . 2 2 126 126 ALA N N 15 123.515 0.300 . 1 . . . . . 125 ALA N . 27282 2 493 . 2 2 127 127 VAL H H 1 9.156 0.020 . 1 . . . . . 126 VAL H . 27282 2 494 . 2 2 127 127 VAL C C 13 174.292 0.300 . 1 . . . . . 126 VAL C . 27282 2 495 . 2 2 127 127 VAL CA C 13 57.832 0.300 . 1 . . . . . 126 VAL CA . 27282 2 496 . 2 2 127 127 VAL CB C 13 33.272 0.300 . 1 . . . . . 126 VAL CB . 27282 2 497 . 2 2 127 127 VAL N N 15 112.764 0.300 . 1 . . . . . 126 VAL N . 27282 2 498 . 2 2 128 128 ALA H H 1 9.561 0.020 . 1 . . . . . 127 ALA H . 27282 2 499 . 2 2 128 128 ALA C C 13 175.025 0.300 . 1 . . . . . 127 ALA C . 27282 2 500 . 2 2 128 128 ALA CA C 13 49.729 0.300 . 1 . . . . . 127 ALA CA . 27282 2 501 . 2 2 128 128 ALA CB C 13 16.979 0.300 . 1 . . . . . 127 ALA CB . 27282 2 502 . 2 2 128 128 ALA N N 15 134.679 0.300 . 1 . . . . . 127 ALA N . 27282 2 503 . 2 2 129 129 LEU H H 1 7.066 0.020 . 1 . . . . . 128 LEU H . 27282 2 504 . 2 2 129 129 LEU C C 13 175.793 0.300 . 1 . . . . . 128 LEU C . 27282 2 505 . 2 2 129 129 LEU CA C 13 52.943 0.300 . 1 . . . . . 128 LEU CA . 27282 2 506 . 2 2 129 129 LEU CB C 13 45.509 0.300 . 1 . . . . . 128 LEU CB . 27282 2 507 . 2 2 129 129 LEU N N 15 118.211 0.300 . 1 . . . . . 128 LEU N . 27282 2 508 . 2 2 130 130 ASP H H 1 8.965 0.020 . 1 . . . . . 129 ASP H . 27282 2 509 . 2 2 130 130 ASP C C 13 172.533 0.300 . 1 . . . . . 129 ASP C . 27282 2 510 . 2 2 130 130 ASP CA C 13 54.522 0.300 . 1 . . . . . 129 ASP CA . 27282 2 511 . 2 2 130 130 ASP CB C 13 42.567 0.300 . 1 . . . . . 129 ASP CB . 27282 2 512 . 2 2 130 130 ASP N N 15 126.905 0.300 . 1 . . . . . 129 ASP N . 27282 2 513 . 2 2 131 131 TYR H H 1 7.427 0.020 . 1 . . . . . 130 TYR H . 27282 2 514 . 2 2 131 131 TYR CA C 13 57.024 0.300 . 1 . . . . . 130 TYR CA . 27282 2 515 . 2 2 131 131 TYR CB C 13 39.664 0.300 . 1 . . . . . 130 TYR CB . 27282 2 516 . 2 2 131 131 TYR N N 15 123.681 0.300 . 1 . . . . . 130 TYR N . 27282 2 517 . 2 2 132 132 PRO C C 13 177.940 0.300 . 1 . . . . . 131 PRO C . 27282 2 518 . 2 2 132 132 PRO CA C 13 61.952 0.300 . 1 . . . . . 131 PRO CA . 27282 2 519 . 2 2 132 132 PRO CB C 13 32.174 0.300 . 1 . . . . . 131 PRO CB . 27282 2 520 . 2 2 133 133 ALA H H 1 8.524 0.020 . 1 . . . . . 132 ALA H . 27282 2 521 . 2 2 133 133 ALA C C 13 180.238 0.300 . 1 . . . . . 132 ALA C . 27282 2 522 . 2 2 133 133 ALA CA C 13 53.985 0.300 . 1 . . . . . 132 ALA CA . 27282 2 523 . 2 2 133 133 ALA CB C 13 17.200 0.300 . 1 . . . . . 132 ALA CB . 27282 2 524 . 2 2 133 133 ALA N N 15 124.590 0.300 . 1 . . . . . 132 ALA N . 27282 2 525 . 2 2 134 134 GLY H H 1 8.933 0.020 . 1 . . . . . 133 GLY H . 27282 2 526 . 2 2 134 134 GLY CA C 13 45.719 0.300 . 1 . . . . . 133 GLY CA . 27282 2 527 . 2 2 134 134 GLY N N 15 105.706 0.300 . 1 . . . . . 133 GLY N . 27282 2 528 . 2 2 135 135 THR H H 1 8.487 0.020 . 1 . . . . . 134 THR H . 27282 2 529 . 2 2 135 135 THR CA C 13 62.630 0.300 . 1 . . . . . 134 THR CA . 27282 2 530 . 2 2 135 135 THR CB C 13 68.436 0.300 . 1 . . . . . 134 THR CB . 27282 2 531 . 2 2 135 135 THR N N 15 115.108 0.300 . 1 . . . . . 134 THR N . 27282 2 532 . 2 2 136 136 SER H H 1 8.415 0.020 . 1 . . . . . 135 SER H . 27282 2 533 . 2 2 136 136 SER C C 13 170.394 0.300 . 1 . . . . . 135 SER C . 27282 2 534 . 2 2 136 136 SER CA C 13 58.540 0.300 . 1 . . . . . 135 SER CA . 27282 2 535 . 2 2 136 136 SER CB C 13 64.213 0.300 . 1 . . . . . 135 SER CB . 27282 2 536 . 2 2 136 136 SER N N 15 120.004 0.300 . 1 . . . . . 135 SER N . 27282 2 537 . 2 2 137 137 GLY H H 1 10.202 0.020 . 1 . . . . . 136 GLY H . 27282 2 538 . 2 2 137 137 GLY C C 13 172.326 0.300 . 1 . . . . . 136 GLY C . 27282 2 539 . 2 2 137 137 GLY CA C 13 44.001 0.300 . 1 . . . . . 136 GLY CA . 27282 2 540 . 2 2 137 137 GLY N N 15 112.359 0.300 . 1 . . . . . 136 GLY N . 27282 2 541 . 2 2 138 138 SER H H 1 7.822 0.020 . 1 . . . . . 137 SER H . 27282 2 542 . 2 2 138 138 SER CA C 13 58.527 0.300 . 1 . . . . . 137 SER CA . 27282 2 543 . 2 2 138 138 SER CB C 13 62.910 0.300 . 1 . . . . . 137 SER CB . 27282 2 544 . 2 2 138 138 SER N N 15 115.634 0.300 . 1 . . . . . 137 SER N . 27282 2 545 . 2 2 139 139 PRO C C 13 173.603 0.300 . 1 . . . . . 138 PRO C . 27282 2 546 . 2 2 139 139 PRO CA C 13 62.072 0.300 . 1 . . . . . 138 PRO CA . 27282 2 547 . 2 2 139 139 PRO CB C 13 32.425 0.300 . 1 . . . . . 138 PRO CB . 27282 2 548 . 2 2 140 140 ILE H H 1 8.601 0.020 . 1 . . . . . 139 ILE H . 27282 2 549 . 2 2 140 140 ILE C C 13 174.678 0.300 . 1 . . . . . 139 ILE C . 27282 2 550 . 2 2 140 140 ILE CA C 13 58.931 0.300 . 1 . . . . . 139 ILE CA . 27282 2 551 . 2 2 140 140 ILE CB C 13 37.866 0.300 . 1 . . . . . 139 ILE CB . 27282 2 552 . 2 2 140 140 ILE N N 15 120.321 0.300 . 1 . . . . . 139 ILE N . 27282 2 553 . 2 2 141 141 LEU H H 1 9.994 0.020 . 1 . . . . . 140 LEU H . 27282 2 554 . 2 2 141 141 LEU C C 13 177.697 0.300 . 1 . . . . . 140 LEU C . 27282 2 555 . 2 2 141 141 LEU CA C 13 53.281 0.300 . 1 . . . . . 140 LEU CA . 27282 2 556 . 2 2 141 141 LEU CB C 13 45.561 0.300 . 1 . . . . . 140 LEU CB . 27282 2 557 . 2 2 141 141 LEU N N 15 127.031 0.300 . 1 . . . . . 140 LEU N . 27282 2 558 . 2 2 142 142 ASP H H 1 8.561 0.020 . 1 . . . . . 141 ASP H . 27282 2 559 . 2 2 142 142 ASP C C 13 174.634 0.300 . 1 . . . . . 141 ASP C . 27282 2 560 . 2 2 142 142 ASP CA C 13 51.393 0.300 . 1 . . . . . 141 ASP CA . 27282 2 561 . 2 2 142 142 ASP CB C 13 42.349 0.300 . 1 . . . . . 141 ASP CB . 27282 2 562 . 2 2 142 142 ASP N N 15 117.402 0.300 . 1 . . . . . 141 ASP N . 27282 2 563 . 2 2 143 143 LYS H H 1 8.070 0.020 . 1 . . . . . 142 LYS H . 27282 2 564 . 2 2 143 143 LYS C C 13 177.364 0.300 . 1 . . . . . 142 LYS C . 27282 2 565 . 2 2 143 143 LYS CA C 13 56.532 0.300 . 1 . . . . . 142 LYS CA . 27282 2 566 . 2 2 143 143 LYS CB C 13 30.154 0.300 . 1 . . . . . 142 LYS CB . 27282 2 567 . 2 2 143 143 LYS N N 15 115.221 0.300 . 1 . . . . . 142 LYS N . 27282 2 568 . 2 2 144 144 CYS H H 1 7.917 0.020 . 1 . . . . . 143 CYS H . 27282 2 569 . 2 2 144 144 CYS C C 13 175.155 0.300 . 1 . . . . . 143 CYS C . 27282 2 570 . 2 2 144 144 CYS CA C 13 57.603 0.300 . 1 . . . . . 143 CYS CA . 27282 2 571 . 2 2 144 144 CYS CB C 13 30.396 0.300 . 1 . . . . . 143 CYS CB . 27282 2 572 . 2 2 144 144 CYS N N 15 118.070 0.300 . 1 . . . . . 143 CYS N . 27282 2 573 . 2 2 145 145 GLY H H 1 8.998 0.020 . 1 . . . . . 144 GLY H . 27282 2 574 . 2 2 145 145 GLY C C 13 173.069 0.300 . 1 . . . . . 144 GLY C . 27282 2 575 . 2 2 145 145 GLY CA C 13 45.217 0.300 . 1 . . . . . 144 GLY CA . 27282 2 576 . 2 2 145 145 GLY N N 15 110.408 0.300 . 1 . . . . . 144 GLY N . 27282 2 577 . 2 2 146 146 ARG H H 1 8.221 0.020 . 1 . . . . . 145 ARG H . 27282 2 578 . 2 2 146 146 ARG C C 13 176.057 0.300 . 1 . . . . . 145 ARG C . 27282 2 579 . 2 2 146 146 ARG CA C 13 54.744 0.300 . 1 . . . . . 145 ARG CA . 27282 2 580 . 2 2 146 146 ARG CB C 13 29.501 0.300 . 1 . . . . . 145 ARG CB . 27282 2 581 . 2 2 146 146 ARG N N 15 119.001 0.300 . 1 . . . . . 145 ARG N . 27282 2 582 . 2 2 147 147 VAL H H 1 8.571 0.020 . 1 . . . . . 146 VAL H . 27282 2 583 . 2 2 147 147 VAL C C 13 176.521 0.300 . 1 . . . . . 146 VAL C . 27282 2 584 . 2 2 147 147 VAL CA C 13 62.579 0.300 . 1 . . . . . 146 VAL CA . 27282 2 585 . 2 2 147 147 VAL CB C 13 30.236 0.300 . 1 . . . . . 146 VAL CB . 27282 2 586 . 2 2 147 147 VAL N N 15 119.599 0.300 . 1 . . . . . 146 VAL N . 27282 2 587 . 2 2 148 148 ILE H H 1 9.069 0.020 . 1 . . . . . 147 ILE H . 27282 2 588 . 2 2 148 148 ILE C C 13 174.097 0.300 . 1 . . . . . 147 ILE C . 27282 2 589 . 2 2 148 148 ILE CA C 13 60.455 0.300 . 1 . . . . . 147 ILE CA . 27282 2 590 . 2 2 148 148 ILE CB C 13 37.263 0.300 . 1 . . . . . 147 ILE CB . 27282 2 591 . 2 2 148 148 ILE N N 15 122.638 0.300 . 1 . . . . . 147 ILE N . 27282 2 592 . 2 2 149 149 GLY H H 1 7.412 0.020 . 1 . . . . . 148 GLY H . 27282 2 593 . 2 2 149 149 GLY C C 13 170.143 0.300 . 1 . . . . . 148 GLY C . 27282 2 594 . 2 2 149 149 GLY CA C 13 43.907 0.300 . 1 . . . . . 148 GLY CA . 27282 2 595 . 2 2 149 149 GLY N N 15 104.640 0.300 . 1 . . . . . 148 GLY N . 27282 2 596 . 2 2 150 150 LEU H H 1 9.457 0.020 . 1 . . . . . 149 LEU H . 27282 2 597 . 2 2 150 150 LEU C C 13 177.019 0.300 . 1 . . . . . 149 LEU C . 27282 2 598 . 2 2 150 150 LEU CA C 13 52.835 0.300 . 1 . . . . . 149 LEU CA . 27282 2 599 . 2 2 150 150 LEU CB C 13 43.110 0.300 . 1 . . . . . 149 LEU CB . 27282 2 600 . 2 2 150 150 LEU N N 15 116.189 0.300 . 1 . . . . . 149 LEU N . 27282 2 601 . 2 2 151 151 TYR H H 1 9.346 0.020 . 1 . . . . . 150 TYR H . 27282 2 602 . 2 2 151 151 TYR C C 13 174.682 0.300 . 1 . . . . . 150 TYR C . 27282 2 603 . 2 2 151 151 TYR CA C 13 57.227 0.300 . 1 . . . . . 150 TYR CA . 27282 2 604 . 2 2 151 151 TYR CB C 13 41.253 0.300 . 1 . . . . . 150 TYR CB . 27282 2 605 . 2 2 151 151 TYR N N 15 123.594 0.300 . 1 . . . . . 150 TYR N . 27282 2 606 . 2 2 152 152 GLY H H 1 8.342 0.020 . 1 . . . . . 151 GLY H . 27282 2 607 . 2 2 152 152 GLY CA C 13 44.918 0.300 . 1 . . . . . 151 GLY CA . 27282 2 608 . 2 2 152 152 GLY N N 15 112.749 0.300 . 1 . . . . . 151 GLY N . 27282 2 609 . 2 2 153 153 ASN H H 1 8.264 0.020 . 1 . . . . . 152 ASN H . 27282 2 610 . 2 2 153 153 ASN CA C 13 52.267 0.300 . 1 . . . . . 152 ASN CA . 27282 2 611 . 2 2 153 153 ASN CB C 13 38.710 0.300 . 1 . . . . . 152 ASN CB . 27282 2 612 . 2 2 153 153 ASN N N 15 119.525 0.300 . 1 . . . . . 152 ASN N . 27282 2 613 . 2 2 154 154 GLY H H 1 8.529 0.020 . 1 . . . . . 153 GLY H . 27282 2 614 . 2 2 154 154 GLY C C 13 171.730 0.300 . 1 . . . . . 153 GLY C . 27282 2 615 . 2 2 154 154 GLY CA C 13 45.791 0.300 . 1 . . . . . 153 GLY CA . 27282 2 616 . 2 2 154 154 GLY N N 15 113.402 0.300 . 1 . . . . . 153 GLY N . 27282 2 617 . 2 2 155 155 VAL H H 1 8.460 0.020 . 1 . . . . . 154 VAL H . 27282 2 618 . 2 2 155 155 VAL C C 13 171.895 0.300 . 1 . . . . . 154 VAL C . 27282 2 619 . 2 2 155 155 VAL CA C 13 58.500 0.300 . 1 . . . . . 154 VAL CA . 27282 2 620 . 2 2 155 155 VAL CB C 13 35.459 0.300 . 1 . . . . . 154 VAL CB . 27282 2 621 . 2 2 155 155 VAL N N 15 116.711 0.300 . 1 . . . . . 154 VAL N . 27282 2 622 . 2 2 156 156 VAL H H 1 8.006 0.020 . 1 . . . . . 155 VAL H . 27282 2 623 . 2 2 156 156 VAL CA C 13 60.989 0.300 . 1 . . . . . 155 VAL CA . 27282 2 624 . 2 2 156 156 VAL CB C 13 32.124 0.300 . 1 . . . . . 155 VAL CB . 27282 2 625 . 2 2 156 156 VAL N N 15 121.946 0.300 . 1 . . . . . 155 VAL N . 27282 2 626 . 2 2 157 157 ILE H H 1 8.406 0.020 . 1 . . . . . 156 ILE H . 27282 2 627 . 2 2 157 157 ILE C C 13 178.015 0.300 . 1 . . . . . 156 ILE C . 27282 2 628 . 2 2 157 157 ILE CA C 13 60.723 0.300 . 1 . . . . . 156 ILE CA . 27282 2 629 . 2 2 157 157 ILE CB C 13 37.177 0.300 . 1 . . . . . 156 ILE CB . 27282 2 630 . 2 2 157 157 ILE N N 15 120.929 0.300 . 1 . . . . . 156 ILE N . 27282 2 631 . 2 2 158 158 LYS H H 1 8.510 0.020 . 1 . . . . . 157 LYS H . 27282 2 632 . 2 2 158 158 LYS C C 13 177.610 0.300 . 1 . . . . . 157 LYS C . 27282 2 633 . 2 2 158 158 LYS CA C 13 59.231 0.300 . 1 . . . . . 157 LYS CA . 27282 2 634 . 2 2 158 158 LYS CB C 13 30.843 0.300 . 1 . . . . . 157 LYS CB . 27282 2 635 . 2 2 158 158 LYS N N 15 119.846 0.300 . 1 . . . . . 157 LYS N . 27282 2 636 . 2 2 159 159 ASN H H 1 7.916 0.020 . 1 . . . . . 158 ASN H . 27282 2 637 . 2 2 159 159 ASN C C 13 176.457 0.300 . 1 . . . . . 158 ASN C . 27282 2 638 . 2 2 159 159 ASN CA C 13 52.446 0.300 . 1 . . . . . 158 ASN CA . 27282 2 639 . 2 2 159 159 ASN CB C 13 36.359 0.300 . 1 . . . . . 158 ASN CB . 27282 2 640 . 2 2 159 159 ASN N N 15 114.545 0.300 . 1 . . . . . 158 ASN N . 27282 2 641 . 2 2 160 160 GLY H H 1 8.465 0.020 . 1 . . . . . 159 GLY H . 27282 2 642 . 2 2 160 160 GLY C C 13 174.132 0.300 . 1 . . . . . 159 GLY C . 27282 2 643 . 2 2 160 160 GLY CA C 13 44.722 0.300 . 1 . . . . . 159 GLY CA . 27282 2 644 . 2 2 160 160 GLY N N 15 108.199 0.300 . 1 . . . . . 159 GLY N . 27282 2 645 . 2 2 161 161 SER H H 1 7.789 0.020 . 1 . . . . . 160 SER H . 27282 2 646 . 2 2 161 161 SER C C 13 171.391 0.300 . 1 . . . . . 160 SER C . 27282 2 647 . 2 2 161 161 SER CA C 13 58.393 0.300 . 1 . . . . . 160 SER CA . 27282 2 648 . 2 2 161 161 SER CB C 13 63.730 0.300 . 1 . . . . . 160 SER CB . 27282 2 649 . 2 2 161 161 SER N N 15 117.306 0.300 . 1 . . . . . 160 SER N . 27282 2 650 . 2 2 162 162 TYR H H 1 8.423 0.020 . 1 . . . . . 161 TYR H . 27282 2 651 . 2 2 162 162 TYR C C 13 174.622 0.300 . 1 . . . . . 161 TYR C . 27282 2 652 . 2 2 162 162 TYR CA C 13 57.544 0.300 . 1 . . . . . 161 TYR CA . 27282 2 653 . 2 2 162 162 TYR CB C 13 40.644 0.300 . 1 . . . . . 161 TYR CB . 27282 2 654 . 2 2 162 162 TYR N N 15 122.968 0.300 . 1 . . . . . 161 TYR N . 27282 2 655 . 2 2 163 163 VAL H H 1 8.052 0.020 . 1 . . . . . 162 VAL H . 27282 2 656 . 2 2 163 163 VAL C C 13 173.978 0.300 . 1 . . . . . 162 VAL C . 27282 2 657 . 2 2 163 163 VAL CA C 13 59.978 0.300 . 1 . . . . . 162 VAL CA . 27282 2 658 . 2 2 163 163 VAL CB C 13 33.389 0.300 . 1 . . . . . 162 VAL CB . 27282 2 659 . 2 2 163 163 VAL N N 15 124.658 0.300 . 1 . . . . . 162 VAL N . 27282 2 660 . 2 2 164 164 SER H H 1 8.330 0.020 . 1 . . . . . 163 SER H . 27282 2 661 . 2 2 164 164 SER C C 13 175.138 0.300 . 1 . . . . . 163 SER C . 27282 2 662 . 2 2 164 164 SER CA C 13 55.123 0.300 . 1 . . . . . 163 SER CA . 27282 2 663 . 2 2 164 164 SER CB C 13 66.311 0.300 . 1 . . . . . 163 SER CB . 27282 2 664 . 2 2 164 164 SER N N 15 116.224 0.300 . 1 . . . . . 163 SER N . 27282 2 665 . 2 2 165 165 ALA H H 1 8.985 0.020 . 1 . . . . . 164 ALA H . 27282 2 666 . 2 2 165 165 ALA C C 13 179.891 0.300 . 1 . . . . . 164 ALA C . 27282 2 667 . 2 2 165 165 ALA CA C 13 52.762 0.300 . 1 . . . . . 164 ALA CA . 27282 2 668 . 2 2 165 165 ALA CB C 13 18.214 0.300 . 1 . . . . . 164 ALA CB . 27282 2 669 . 2 2 165 165 ALA N N 15 129.348 0.300 . 1 . . . . . 164 ALA N . 27282 2 670 . 2 2 166 166 ILE H H 1 8.360 0.020 . 1 . . . . . 165 ILE H . 27282 2 671 . 2 2 166 166 ILE C C 13 174.672 0.300 . 1 . . . . . 165 ILE C . 27282 2 672 . 2 2 166 166 ILE CA C 13 61.708 0.300 . 1 . . . . . 165 ILE CA . 27282 2 673 . 2 2 166 166 ILE CB C 13 35.503 0.300 . 1 . . . . . 165 ILE CB . 27282 2 674 . 2 2 166 166 ILE N N 15 124.886 0.300 . 1 . . . . . 165 ILE N . 27282 2 675 . 2 2 167 167 THR H H 1 7.388 0.020 . 1 . . . . . 166 THR H . 27282 2 676 . 2 2 167 167 THR C C 13 172.634 0.300 . 1 . . . . . 166 THR C . 27282 2 677 . 2 2 167 167 THR CA C 13 64.042 0.300 . 1 . . . . . 166 THR CA . 27282 2 678 . 2 2 167 167 THR CB C 13 68.287 0.300 . 1 . . . . . 166 THR CB . 27282 2 679 . 2 2 167 167 THR N N 15 123.061 0.300 . 1 . . . . . 166 THR N . 27282 2 680 . 2 2 168 168 GLN H H 1 8.759 0.020 . 1 . . . . . 167 GLN H . 27282 2 681 . 2 2 168 168 GLN C C 13 175.861 0.300 . 1 . . . . . 167 GLN C . 27282 2 682 . 2 2 168 168 GLN CA C 13 52.057 0.300 . 1 . . . . . 167 GLN CA . 27282 2 683 . 2 2 168 168 GLN CB C 13 32.106 0.300 . 1 . . . . . 167 GLN CB . 27282 2 684 . 2 2 168 168 GLN N N 15 129.081 0.300 . 1 . . . . . 167 GLN N . 27282 2 685 . 2 2 169 169 GLY H H 1 8.438 0.020 . 1 . . . . . 168 GLY H . 27282 2 686 . 2 2 169 169 GLY C C 13 172.249 0.300 . 1 . . . . . 168 GLY C . 27282 2 687 . 2 2 169 169 GLY CA C 13 43.648 0.300 . 1 . . . . . 168 GLY CA . 27282 2 688 . 2 2 169 169 GLY N N 15 115.576 0.300 . 1 . . . . . 168 GLY N . 27282 2 689 . 2 2 170 170 LYS H H 1 8.014 0.020 . 1 . . . . . 169 LYS H . 27282 2 690 . 2 2 170 170 LYS C C 13 175.499 0.300 . 1 . . . . . 169 LYS C . 27282 2 691 . 2 2 170 170 LYS CA C 13 54.599 0.300 . 1 . . . . . 169 LYS CA . 27282 2 692 . 2 2 170 170 LYS CB C 13 32.898 0.300 . 1 . . . . . 169 LYS CB . 27282 2 693 . 2 2 170 170 LYS N N 15 121.464 0.300 . 1 . . . . . 169 LYS N . 27282 2 694 . 2 2 171 171 ARG H H 1 8.643 0.020 . 1 . . . . . 170 ARG H . 27282 2 695 . 2 2 171 171 ARG C C 13 176.189 0.300 . 1 . . . . . 170 ARG C . 27282 2 696 . 2 2 171 171 ARG CA C 13 55.050 0.300 . 1 . . . . . 170 ARG CA . 27282 2 697 . 2 2 171 171 ARG CB C 13 29.824 0.300 . 1 . . . . . 170 ARG CB . 27282 2 698 . 2 2 171 171 ARG N N 15 125.137 0.300 . 1 . . . . . 170 ARG N . 27282 2 699 . 2 2 172 172 GLU H H 1 8.593 0.020 . 1 . . . . . 171 GLU H . 27282 2 700 . 2 2 172 172 GLU CA C 13 55.471 0.300 . 1 . . . . . 171 GLU CA . 27282 2 701 . 2 2 172 172 GLU CB C 13 29.862 0.300 . 1 . . . . . 171 GLU CB . 27282 2 702 . 2 2 172 172 GLU N N 15 125.385 0.300 . 1 . . . . . 171 GLU N . 27282 2 703 . 2 2 173 173 GLU C C 13 176.352 0.300 . 1 . . . . . 172 GLU C . 27282 2 704 . 2 2 173 173 GLU CA C 13 55.742 0.300 . 1 . . . . . 172 GLU CA . 27282 2 705 . 2 2 173 173 GLU CB C 13 29.587 0.300 . 1 . . . . . 172 GLU CB . 27282 2 706 . 2 2 174 174 GLU H H 1 8.594 0.020 . 1 . . . . . 173 GLU H . 27282 2 707 . 2 2 174 174 GLU C C 13 176.389 0.300 . 1 . . . . . 173 GLU C . 27282 2 708 . 2 2 174 174 GLU CA C 13 55.868 0.300 . 1 . . . . . 173 GLU CA . 27282 2 709 . 2 2 174 174 GLU CB C 13 29.551 0.300 . 1 . . . . . 173 GLU CB . 27282 2 710 . 2 2 174 174 GLU N N 15 122.565 0.300 . 1 . . . . . 173 GLU N . 27282 2 711 . 2 2 175 175 THR H H 1 8.391 0.020 . 1 . . . . . 174 THR H . 27282 2 712 . 2 2 175 175 THR CA C 13 59.560 0.300 . 1 . . . . . 174 THR CA . 27282 2 713 . 2 2 175 175 THR CB C 13 69.267 0.300 . 1 . . . . . 174 THR CB . 27282 2 714 . 2 2 175 175 THR N N 15 119.027 0.300 . 1 . . . . . 174 THR N . 27282 2 715 . 2 2 176 176 PRO C C 13 176.888 0.300 . 1 . . . . . 175 PRO C . 27282 2 716 . 2 2 176 176 PRO CA C 13 62.574 0.300 . 1 . . . . . 175 PRO CA . 27282 2 717 . 2 2 176 176 PRO CB C 13 31.148 0.300 . 1 . . . . . 175 PRO CB . 27282 2 718 . 2 2 177 177 VAL H H 1 8.337 0.020 . 1 . . . . . 176 VAL H . 27282 2 719 . 2 2 177 177 VAL C C 13 175.477 0.300 . 1 . . . . . 176 VAL C . 27282 2 720 . 2 2 177 177 VAL CA C 13 61.957 0.300 . 1 . . . . . 176 VAL CA . 27282 2 721 . 2 2 177 177 VAL CB C 13 32.087 0.300 . 1 . . . . . 176 VAL CB . 27282 2 722 . 2 2 177 177 VAL N N 15 120.841 0.300 . 1 . . . . . 176 VAL N . 27282 2 723 . 2 2 178 178 GLU H H 1 7.961 0.020 . 1 . . . . . 177 GLU H . 27282 2 724 . 2 2 178 178 GLU CA C 13 57.439 0.300 . 1 . . . . . 177 GLU CA . 27282 2 725 . 2 2 178 178 GLU CB C 13 30.461 0.300 . 1 . . . . . 177 GLU CB . 27282 2 726 . 2 2 178 178 GLU N N 15 128.941 0.300 . 1 . . . . . 177 GLU N . 27282 2 stop_ save_