data_26933 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26933 _Entry.Title ; Backbone assignment of unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine aldehyde ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-04 _Entry.Accession_date 2016-11-04 _Entry.Last_release_date 2016-11-04 _Entry.Original_release_date 2016-11-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 . . . . 26933 2 Zhenzhen Zhang . . . . 26933 3 'Wint Wint' Phoo . . . . 26933 4 'Ying Ru' Loh . . . . 26933 5 'Wei Ling' Wang . . . . 26933 6 'Ming Wei' Chen . . . . 26933 7 Shuang Liu . . . . 26933 8 Alvin Hung . . . . 26933 9 'Thomas H' Keller . . . . 26933 10 Dahai Luo . . . . 26933 11 CongBao Kang . . . . 26933 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' . 26933 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26933 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 592 26933 '15N chemical shifts' 191 26933 '1H chemical shifts' 191 26933 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 1 . . 2017-07-17 . original BMRB . 26933 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26873 'linked NS2B-NS3 Protease of Zika Virus after self-cleavage' 26933 BMRB 26927 'unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine' 26933 BMRB 26928 'unlinked NS2B-NS3 Protease of Zika Virus in complex without acetyl-lysine-arginine' 26933 PDB 5H6V 'unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine aldehyde' 26933 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26933 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2017.06.006 _Citation.PubMed_ID 28689970 _Citation.Full_citation . _Citation.Title ; Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 2126 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 30186 _Citation.Page_last 30187 _Citation.Year 2017 _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 Y. . . . 26933 1 2 Zhenzhen Zhang Z. . . . 26933 1 3 'Wint Wint' Phoo W. W. . . 26933 1 4 'Ying Ru' Loh Y. R. . . 26933 1 5 Weiling Wang W. . . . 26933 1 6 Shuang Liu S. . . . 26933 1 7 'Ming Wei' Chen M. W. . . 26933 1 8 Alvin Hung A. W. . . 26933 1 9 Thomas Keller T. H. . . 26933 1 10 Dahai Luo D. . . . 26933 1 11 CongBao Kang C. . . . 26933 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Zika virus' 26933 1 dipeptide 26933 1 inhibitor 26933 1 protease 26933 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26933 _Assembly.ID 1 _Assembly.Name 'NS2B-NS3 Protease from Zika Virus in complex with acetyl-lysine-arginine aldehyde' _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 ; This is a construct containing 45-96 of NS2B and 1-177 of NS3 of Zika virus in complex with acetyl-lysine-arginine aldehyde. The aldehyde modification is on Arg. COOH is replace with COH. ; _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 . . . 26933 1 2 'NS3 fragment (1-177)' 2 $NS3_fragment B . yes native no no . . . 26933 1 3 'acetyl-lysine-arginine aldehyde' 3 $entity_7HS C . no native no no . . . 26933 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 2 . 2 SER 136 136 SG . 3 . 3 7HS 1 1 CAO . . . . . . . . . . 26933 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS2B_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS2B_fragment _Entity.Entry_ID 26933 _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 . _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 . 26933 1 2 . GLY . 26933 1 3 . SER . 26933 1 4 . SER . 26933 1 5 . HIS . 26933 1 6 . HIS . 26933 1 7 . HIS . 26933 1 8 . HIS . 26933 1 9 . HIS . 26933 1 10 . HIS . 26933 1 11 . SER . 26933 1 12 . SER . 26933 1 13 . GLY . 26933 1 14 . LEU . 26933 1 15 . VAL . 26933 1 16 . PRO . 26933 1 17 . ARG . 26933 1 18 . GLY . 26933 1 19 . SER . 26933 1 20 . HIS . 26933 1 21 . MET . 26933 1 22 45 THR . 26933 1 23 46 GLY . 26933 1 24 47 LYS . 26933 1 25 48 SER . 26933 1 26 49 VAL . 26933 1 27 50 ASP . 26933 1 28 51 MET . 26933 1 29 52 TYR . 26933 1 30 53 ILE . 26933 1 31 54 GLU . 26933 1 32 55 ARG . 26933 1 33 56 ALA . 26933 1 34 57 GLY . 26933 1 35 58 ASP . 26933 1 36 59 ILE . 26933 1 37 60 THR . 26933 1 38 61 TRP . 26933 1 39 62 GLU . 26933 1 40 63 LYS . 26933 1 41 64 ASP . 26933 1 42 65 ALA . 26933 1 43 66 GLU . 26933 1 44 67 VAL . 26933 1 45 68 THR . 26933 1 46 69 GLY . 26933 1 47 70 ASN . 26933 1 48 71 SER . 26933 1 49 72 PRO . 26933 1 50 73 ARG . 26933 1 51 74 LEU . 26933 1 52 75 ASP . 26933 1 53 76 VAL . 26933 1 54 77 ALA . 26933 1 55 78 LEU . 26933 1 56 79 ASP . 26933 1 57 80 GLU . 26933 1 58 81 SER . 26933 1 59 82 GLY . 26933 1 60 83 ASP . 26933 1 61 84 PHE . 26933 1 62 85 SER . 26933 1 63 86 LEU . 26933 1 64 87 VAL . 26933 1 65 88 GLU . 26933 1 66 89 GLU . 26933 1 67 90 ASP . 26933 1 68 91 GLY . 26933 1 69 92 PRO . 26933 1 70 93 PRO . 26933 1 71 94 MET . 26933 1 72 95 ARG . 26933 1 73 96 GLU . 26933 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 26933 1 . GLY 2 2 26933 1 . SER 3 3 26933 1 . SER 4 4 26933 1 . HIS 5 5 26933 1 . HIS 6 6 26933 1 . HIS 7 7 26933 1 . HIS 8 8 26933 1 . HIS 9 9 26933 1 . HIS 10 10 26933 1 . SER 11 11 26933 1 . SER 12 12 26933 1 . GLY 13 13 26933 1 . LEU 14 14 26933 1 . VAL 15 15 26933 1 . PRO 16 16 26933 1 . ARG 17 17 26933 1 . GLY 18 18 26933 1 . SER 19 19 26933 1 . HIS 20 20 26933 1 . MET 21 21 26933 1 . THR 22 22 26933 1 . GLY 23 23 26933 1 . LYS 24 24 26933 1 . SER 25 25 26933 1 . VAL 26 26 26933 1 . ASP 27 27 26933 1 . MET 28 28 26933 1 . TYR 29 29 26933 1 . ILE 30 30 26933 1 . GLU 31 31 26933 1 . ARG 32 32 26933 1 . ALA 33 33 26933 1 . GLY 34 34 26933 1 . ASP 35 35 26933 1 . ILE 36 36 26933 1 . THR 37 37 26933 1 . TRP 38 38 26933 1 . GLU 39 39 26933 1 . LYS 40 40 26933 1 . ASP 41 41 26933 1 . ALA 42 42 26933 1 . GLU 43 43 26933 1 . VAL 44 44 26933 1 . THR 45 45 26933 1 . GLY 46 46 26933 1 . ASN 47 47 26933 1 . SER 48 48 26933 1 . PRO 49 49 26933 1 . ARG 50 50 26933 1 . LEU 51 51 26933 1 . ASP 52 52 26933 1 . VAL 53 53 26933 1 . ALA 54 54 26933 1 . LEU 55 55 26933 1 . ASP 56 56 26933 1 . GLU 57 57 26933 1 . SER 58 58 26933 1 . GLY 59 59 26933 1 . ASP 60 60 26933 1 . PHE 61 61 26933 1 . SER 62 62 26933 1 . LEU 63 63 26933 1 . VAL 64 64 26933 1 . GLU 65 65 26933 1 . GLU 66 66 26933 1 . ASP 67 67 26933 1 . GLY 68 68 26933 1 . PRO 69 69 26933 1 . PRO 70 70 26933 1 . MET 71 71 26933 1 . ARG 72 72 26933 1 . GLU 73 73 26933 1 stop_ save_ save_NS3_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS3_fragment _Entity.Entry_ID 26933 _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 DGVYRVMTRKLLGSTQVGVG 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 . _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 . 26933 2 2 1 SER . 26933 2 3 2 GLY . 26933 2 4 3 ALA . 26933 2 5 4 LEU . 26933 2 6 5 TRP . 26933 2 7 6 ASP . 26933 2 8 7 VAL . 26933 2 9 8 PRO . 26933 2 10 9 ALA . 26933 2 11 10 PRO . 26933 2 12 11 LYS . 26933 2 13 12 GLU . 26933 2 14 13 VAL . 26933 2 15 14 LYS . 26933 2 16 15 LYS . 26933 2 17 16 GLY . 26933 2 18 17 GLU . 26933 2 19 18 THR . 26933 2 20 19 THR . 26933 2 21 20 ASP . 26933 2 22 21 GLY . 26933 2 23 22 VAL . 26933 2 24 23 TYR . 26933 2 25 24 ARG . 26933 2 26 25 VAL . 26933 2 27 26 MET . 26933 2 28 27 THR . 26933 2 29 28 ARG . 26933 2 30 29 LYS . 26933 2 31 30 LEU . 26933 2 32 31 LEU . 26933 2 33 32 GLY . 26933 2 34 33 SER . 26933 2 35 34 THR . 26933 2 36 35 GLN . 26933 2 37 36 VAL . 26933 2 38 37 GLY . 26933 2 39 38 VAL . 26933 2 40 39 GLY . 26933 2 41 40 VAL . 26933 2 42 41 MET . 26933 2 43 42 GLN . 26933 2 44 43 GLU . 26933 2 45 44 GLY . 26933 2 46 45 VAL . 26933 2 47 46 PHE . 26933 2 48 47 HIS . 26933 2 49 48 THR . 26933 2 50 49 MET . 26933 2 51 50 TRP . 26933 2 52 51 HIS . 26933 2 53 52 VAL . 26933 2 54 53 THR . 26933 2 55 54 LYS . 26933 2 56 55 GLY . 26933 2 57 56 ALA . 26933 2 58 57 ALA . 26933 2 59 58 LEU . 26933 2 60 59 ARG . 26933 2 61 60 SER . 26933 2 62 61 GLY . 26933 2 63 62 GLU . 26933 2 64 63 GLY . 26933 2 65 64 ARG . 26933 2 66 65 LEU . 26933 2 67 66 ASP . 26933 2 68 67 PRO . 26933 2 69 68 TYR . 26933 2 70 69 TRP . 26933 2 71 70 GLY . 26933 2 72 71 ASP . 26933 2 73 72 VAL . 26933 2 74 73 LYS . 26933 2 75 74 GLN . 26933 2 76 75 ASP . 26933 2 77 76 LEU . 26933 2 78 77 VAL . 26933 2 79 78 SER . 26933 2 80 79 TYR . 26933 2 81 80 CYS . 26933 2 82 81 GLY . 26933 2 83 82 PRO . 26933 2 84 83 TRP . 26933 2 85 84 LYS . 26933 2 86 85 LEU . 26933 2 87 86 ASP . 26933 2 88 87 ALA . 26933 2 89 88 ALA . 26933 2 90 89 TRP . 26933 2 91 90 ASP . 26933 2 92 91 GLY . 26933 2 93 92 LEU . 26933 2 94 93 SER . 26933 2 95 94 GLU . 26933 2 96 95 VAL . 26933 2 97 96 GLN . 26933 2 98 97 LEU . 26933 2 99 98 LEU . 26933 2 100 99 ALA . 26933 2 101 100 VAL . 26933 2 102 101 PRO . 26933 2 103 102 PRO . 26933 2 104 103 GLY . 26933 2 105 104 GLU . 26933 2 106 105 ARG . 26933 2 107 106 ALA . 26933 2 108 107 LYS . 26933 2 109 108 ASN . 26933 2 110 109 ILE . 26933 2 111 110 GLN . 26933 2 112 111 THR . 26933 2 113 112 LEU . 26933 2 114 113 PRO . 26933 2 115 114 GLY . 26933 2 116 115 ILE . 26933 2 117 116 PHE . 26933 2 118 117 LYS . 26933 2 119 118 THR . 26933 2 120 119 LYS . 26933 2 121 120 ASP . 26933 2 122 121 GLY . 26933 2 123 122 ASP . 26933 2 124 123 ILE . 26933 2 125 124 GLY . 26933 2 126 125 ALA . 26933 2 127 126 VAL . 26933 2 128 127 ALA . 26933 2 129 128 LEU . 26933 2 130 129 ASP . 26933 2 131 130 TYR . 26933 2 132 131 PRO . 26933 2 133 132 ALA . 26933 2 134 133 GLY . 26933 2 135 134 THR . 26933 2 136 135 SER . 26933 2 137 136 GLY . 26933 2 138 137 SER . 26933 2 139 138 PRO . 26933 2 140 139 ILE . 26933 2 141 140 LEU . 26933 2 142 141 ASP . 26933 2 143 142 LYS . 26933 2 144 143 CYS . 26933 2 145 144 GLY . 26933 2 146 145 ARG . 26933 2 147 146 VAL . 26933 2 148 147 ILE . 26933 2 149 148 GLY . 26933 2 150 149 LEU . 26933 2 151 150 TYR . 26933 2 152 151 GLY . 26933 2 153 152 ASN . 26933 2 154 153 GLY . 26933 2 155 154 VAL . 26933 2 156 155 VAL . 26933 2 157 156 ILE . 26933 2 158 157 LYS . 26933 2 159 158 ASN . 26933 2 160 159 GLY . 26933 2 161 160 SER . 26933 2 162 161 TYR . 26933 2 163 162 VAL . 26933 2 164 163 SER . 26933 2 165 164 ALA . 26933 2 166 165 ILE . 26933 2 167 166 THR . 26933 2 168 167 GLN . 26933 2 169 168 GLY . 26933 2 170 169 LYS . 26933 2 171 170 ARG . 26933 2 172 171 GLU . 26933 2 173 172 GLU . 26933 2 174 173 GLU . 26933 2 175 174 THR . 26933 2 176 175 PRO . 26933 2 177 176 VAL . 26933 2 178 177 GLU . 26933 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 26933 2 . SER 2 2 26933 2 . GLY 3 3 26933 2 . ALA 4 4 26933 2 . LEU 5 5 26933 2 . TRP 6 6 26933 2 . ASP 7 7 26933 2 . VAL 8 8 26933 2 . PRO 9 9 26933 2 . ALA 10 10 26933 2 . PRO 11 11 26933 2 . LYS 12 12 26933 2 . GLU 13 13 26933 2 . VAL 14 14 26933 2 . LYS 15 15 26933 2 . LYS 16 16 26933 2 . GLY 17 17 26933 2 . GLU 18 18 26933 2 . THR 19 19 26933 2 . THR 20 20 26933 2 . ASP 21 21 26933 2 . GLY 22 22 26933 2 . VAL 23 23 26933 2 . TYR 24 24 26933 2 . ARG 25 25 26933 2 . VAL 26 26 26933 2 . MET 27 27 26933 2 . THR 28 28 26933 2 . ARG 29 29 26933 2 . LYS 30 30 26933 2 . LEU 31 31 26933 2 . LEU 32 32 26933 2 . GLY 33 33 26933 2 . SER 34 34 26933 2 . THR 35 35 26933 2 . GLN 36 36 26933 2 . VAL 37 37 26933 2 . GLY 38 38 26933 2 . VAL 39 39 26933 2 . GLY 40 40 26933 2 . VAL 41 41 26933 2 . MET 42 42 26933 2 . GLN 43 43 26933 2 . GLU 44 44 26933 2 . GLY 45 45 26933 2 . VAL 46 46 26933 2 . PHE 47 47 26933 2 . HIS 48 48 26933 2 . THR 49 49 26933 2 . MET 50 50 26933 2 . TRP 51 51 26933 2 . HIS 52 52 26933 2 . VAL 53 53 26933 2 . THR 54 54 26933 2 . LYS 55 55 26933 2 . GLY 56 56 26933 2 . ALA 57 57 26933 2 . ALA 58 58 26933 2 . LEU 59 59 26933 2 . ARG 60 60 26933 2 . SER 61 61 26933 2 . GLY 62 62 26933 2 . GLU 63 63 26933 2 . GLY 64 64 26933 2 . ARG 65 65 26933 2 . LEU 66 66 26933 2 . ASP 67 67 26933 2 . PRO 68 68 26933 2 . TYR 69 69 26933 2 . TRP 70 70 26933 2 . GLY 71 71 26933 2 . ASP 72 72 26933 2 . VAL 73 73 26933 2 . LYS 74 74 26933 2 . GLN 75 75 26933 2 . ASP 76 76 26933 2 . LEU 77 77 26933 2 . VAL 78 78 26933 2 . SER 79 79 26933 2 . TYR 80 80 26933 2 . CYS 81 81 26933 2 . GLY 82 82 26933 2 . PRO 83 83 26933 2 . TRP 84 84 26933 2 . LYS 85 85 26933 2 . LEU 86 86 26933 2 . ASP 87 87 26933 2 . ALA 88 88 26933 2 . ALA 89 89 26933 2 . TRP 90 90 26933 2 . ASP 91 91 26933 2 . GLY 92 92 26933 2 . LEU 93 93 26933 2 . SER 94 94 26933 2 . GLU 95 95 26933 2 . VAL 96 96 26933 2 . GLN 97 97 26933 2 . LEU 98 98 26933 2 . LEU 99 99 26933 2 . ALA 100 100 26933 2 . VAL 101 101 26933 2 . PRO 102 102 26933 2 . PRO 103 103 26933 2 . GLY 104 104 26933 2 . GLU 105 105 26933 2 . ARG 106 106 26933 2 . ALA 107 107 26933 2 . LYS 108 108 26933 2 . ASN 109 109 26933 2 . ILE 110 110 26933 2 . GLN 111 111 26933 2 . THR 112 112 26933 2 . LEU 113 113 26933 2 . PRO 114 114 26933 2 . GLY 115 115 26933 2 . ILE 116 116 26933 2 . PHE 117 117 26933 2 . LYS 118 118 26933 2 . THR 119 119 26933 2 . LYS 120 120 26933 2 . ASP 121 121 26933 2 . GLY 122 122 26933 2 . ASP 123 123 26933 2 . ILE 124 124 26933 2 . GLY 125 125 26933 2 . ALA 126 126 26933 2 . VAL 127 127 26933 2 . ALA 128 128 26933 2 . LEU 129 129 26933 2 . ASP 130 130 26933 2 . TYR 131 131 26933 2 . PRO 132 132 26933 2 . ALA 133 133 26933 2 . GLY 134 134 26933 2 . THR 135 135 26933 2 . SER 136 136 26933 2 . GLY 137 137 26933 2 . SER 138 138 26933 2 . PRO 139 139 26933 2 . ILE 140 140 26933 2 . LEU 141 141 26933 2 . ASP 142 142 26933 2 . LYS 143 143 26933 2 . CYS 144 144 26933 2 . GLY 145 145 26933 2 . ARG 146 146 26933 2 . VAL 147 147 26933 2 . ILE 148 148 26933 2 . GLY 149 149 26933 2 . LEU 150 150 26933 2 . TYR 151 151 26933 2 . GLY 152 152 26933 2 . ASN 153 153 26933 2 . GLY 154 154 26933 2 . VAL 155 155 26933 2 . VAL 156 156 26933 2 . ILE 157 157 26933 2 . LYS 158 158 26933 2 . ASN 159 159 26933 2 . GLY 160 160 26933 2 . SER 161 161 26933 2 . TYR 162 162 26933 2 . VAL 163 163 26933 2 . SER 164 164 26933 2 . ALA 165 165 26933 2 . ILE 166 166 26933 2 . THR 167 167 26933 2 . GLN 168 168 26933 2 . GLY 169 169 26933 2 . LYS 170 170 26933 2 . ARG 171 171 26933 2 . GLU 172 172 26933 2 . GLU 173 173 26933 2 . GLU 174 174 26933 2 . THR 175 175 26933 2 . PRO 176 176 26933 2 . VAL 177 177 26933 2 . GLU 178 178 26933 2 stop_ save_ save_entity_7HS _Entity.Sf_category entity _Entity.Sf_framecode entity_7HS _Entity.Entry_ID 26933 _Entity.ID 3 _Entity.BMRB_code 7HS _Entity.Name entity_7HS _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID 7HS _Entity.Nonpolymer_comp_label $chem_comp_7HS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 328.411 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide BMRB 26933 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide BMRB 26933 3 7HS 'Three letter code' 26933 3 stop_ 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 1 7HS $chem_comp_7HS 26933 3 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 26933 _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 . . . . . . . . . . . . . 26933 1 2 2 $NS3_fragment . 64320 virus . 'Zika virus' 'Zika virus' . . Viruses . Zika virus . . . . . . . . . . . . . 26933 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 26933 _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 . . . . . . pET15b . . . 26933 1 2 2 $NS3_fragment . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 26933 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_7HS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_7HS _Chem_comp.Entry_ID 26933 _Chem_comp.ID 7HS _Chem_comp.Provenance PDB _Chem_comp.Name (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code 7HS _Chem_comp.PDB_code 7HS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2017-06-10 _Chem_comp.Modified_date 2017-06-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 7HS _Chem_comp.Number_atoms_all 51 _Chem_comp.Number_atoms_nh 23 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 N6 O3' _Chem_comp.Formula_weight 328.411 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 5H6V _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C=O SMILES 'OpenEye OEToolkits' 2.0.6 26933 7HS CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C=O SMILES_CANONICAL CACTVS 3.385 26933 7HS CC(=O)N[CH](CCCCN)C(=O)N[CH](CCCNC(N)=N)C=O SMILES CACTVS 3.385 26933 7HS ; InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1 ; InChI InChI 1.03 26933 7HS VZSVGUHOHBMCOO-RYUDHWBXSA-N InChIKey InChI 1.03 26933 7HS [H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.6 26933 7HS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2~{S})-2-acetamido-6-azanyl-~{N}-[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]hexanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.6 26933 7HS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N1 . N . . N 0 . . . 1 no no . . . . -6.572 . 3.173 . -12.964 . 2.277 -0.704 1.856 1 . 26933 7HS CA CA CA C1 . C . . S 0 . . . 1 no no . . . . -7.986 . 3.569 . -12.887 . 1.600 -0.014 0.756 2 . 26933 7HS CAA CAA CAA C2 . C . . N 0 . . . 1 no no . . . . -4.676 . 1.743 . -13.442 . 3.725 -2.504 2.740 3 . 26933 7HS CAB CAB CAB C3 . C . . N 0 . . . 1 no no . . . . -6.188 . 1.976 . -13.434 . 3.029 -1.794 1.607 4 . 26933 7HS CAN CAN CAN C4 . C . . S 0 . . . 1 no no . . . . -9.911 . 5.197 . -15.736 . -1.295 -1.404 -1.329 5 . 26933 7HS CAO CAO CAO C5 . C . . N 0 . . . 1 no no . . . . -11.213 . 5.840 . -15.275 . -0.715 -1.847 -2.648 6 . 26933 7HS CAQ CAQ CAQ C6 . C . . N 0 . . . 1 no no . . . . -10.142 . 4.394 . -17.019 . -2.630 -0.696 -1.571 7 . 26933 7HS CAR CAR CAR C7 . C . . N 0 . . . 1 no no . . . . -8.798 . 4.134 . -17.696 . -3.278 -0.357 -0.227 8 . 26933 7HS CAS CAS CAS C8 . C . . N 0 . . . 1 no no . . . . -8.077 . 5.458 . -17.946 . -4.613 0.350 -0.468 9 . 26933 7HS CAU CAU CAU C9 . C . . N 0 . . . 1 no no . . . . -5.910 . 5.153 . -19.108 . -6.448 1.318 0.853 10 . 26933 7HS C C C C10 . C . . N 0 . . . 1 no no . . . . -8.305 . 4.563 . -14.002 . 0.643 -0.963 0.080 11 . 26933 7HS O O O O1 . O . . N 0 . . . 1 no no . . . . -7.556 . 5.504 . -14.252 . 0.782 -2.161 0.214 12 . 26933 7HS NAM NAM NAM N2 . N . . N 0 . . . 1 no no . . . . -9.448 . 4.326 . -14.651 . -0.365 -0.481 -0.672 13 . 26933 7HS NAT NAT NAT N3 . N . . N 0 . . . 1 no no . . . . -6.629 . 5.216 . -17.979 . -5.233 0.675 0.818 14 . 26933 7HS NAV NAV NAV N4 . N . . N 0 . . . 1 no no . . . . -6.512 . 5.316 . -20.295 . -7.048 1.638 -0.259 15 . 26933 7HS NAW NAW NAW N5 . N . . N 0 . . . 1 no no . . . . -4.591 . 4.926 . -19.048 . -7.030 1.623 2.061 16 . 26933 7HS OAC OAC OAC O2 . O . . N 0 . . . 1 no no . . . . -6.964 . 1.111 . -13.838 . 3.145 -2.204 0.472 17 . 26933 7HS OAX OAX OAX O3 . O . . N 0 . . . 1 no no . . . . -11.217 . 6.613 . -14.318 . 0.363 -1.435 -3.002 18 . 26933 7HS CB CB CB C11 . C . . N 0 . . . 1 no no . . . . -8.275 . 4.225 . -11.532 . 2.638 0.471 -0.258 19 . 26933 7HS CG CG CG C12 . C . . N 0 . . . 1 no no . . . . -8.928 . 3.207 . -10.596 . 3.532 1.528 0.394 20 . 26933 7HS CD CD CD C13 . C . . N 0 . . . 1 no no . . . . -8.122 . 3.114 . -9.301 . 4.571 2.013 -0.620 21 . 26933 7HS CE CE CE C14 . C . . N 0 . . . 1 no no . . . . -9.045 . 2.667 . -8.169 . 5.464 3.070 0.032 22 . 26933 7HS NZ NZ NZ N6 . N . . N 0 . . . 1 no no . . . . -9.614 . 1.344 . -8.458 . 6.462 3.535 -0.942 23 . 26933 7HS H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -5.873 . 3.818 . -12.656 . 2.187 -0.374 2.764 24 . 26933 7HS H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -8.628 . 2.683 . -13.000 . 1.048 0.840 1.147 25 . 26933 7HS H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -4.461 . 0.742 . -13.844 . 3.505 -1.995 3.678 26 . 26933 7HS H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -4.191 . 2.503 . -14.072 . 3.373 -3.534 2.794 27 . 26933 7HS H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -4.288 . 1.816 . -12.415 . 4.801 -2.497 2.566 28 . 26933 7HS H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -9.167 . 5.984 . -15.931 . -1.455 -2.273 -0.692 29 . 26933 7HS H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -12.136 . 5.616 . -15.790 . -1.264 -2.533 -3.275 30 . 26933 7HS H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . -10.792 . 4.965 . -17.698 . -2.458 0.221 -2.133 31 . 26933 7HS H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . -10.621 . 3.435 . -16.772 . -3.291 -1.352 -2.137 32 . 26933 7HS H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -8.966 . 3.623 . -18.656 . -3.450 -1.275 0.336 33 . 26933 7HS H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -8.179 . 3.499 . -17.046 . -2.617 0.299 0.340 34 . 26933 7HS H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -8.314 . 6.165 . -17.138 . -4.441 1.268 -1.031 35 . 26933 7HS H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -8.402 . 5.879 . -18.909 . -5.274 -0.305 -1.035 36 . 26933 7HS H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . -10.002 . 3.535 . -14.391 . -0.476 0.477 -0.779 37 . 26933 7HS H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . -6.152 . 5.091 . -17.109 . -4.787 0.437 1.646 38 . 26933 7HS H16 H16 H16 H16 . H . . N 0 . . . 1 no no . . . . -7.494 . 5.477 . -20.198 . -6.637 1.423 -1.111 39 . 26933 7HS H17 H17 H17 H17 . H . . N 0 . . . 1 no no . . . . -4.144 . 4.804 . -18.162 . -6.584 1.384 2.888 40 . 26933 7HS H18 H18 H18 H18 . H . . N 0 . . . 1 no no . . . . -4.053 . 4.879 . -19.890 . -7.887 2.076 2.085 41 . 26933 7HS H19 H19 H19 H19 . H . . N 0 . . . 1 no no . . . . -7.332 . 4.578 . -11.088 . 3.249 -0.371 -0.583 42 . 26933 7HS H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . -8.955 . 5.078 . -11.676 . 2.130 0.905 -1.119 43 . 26933 7HS H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -9.955 . 3.527 . -10.366 . 2.921 2.370 0.719 44 . 26933 7HS H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . -8.951 . 2.222 . -11.085 . 4.040 1.093 1.255 45 . 26933 7HS H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . -7.310 . 2.383 . -9.424 . 5.182 1.171 -0.945 46 . 26933 7HS H24 H24 H24 H24 . H . . N 0 . . . 1 no no . . . . -7.695 . 4.099 . -9.061 . 4.063 2.447 -1.481 47 . 26933 7HS H25 H25 H25 H25 . H . . N 0 . . . 1 no no . . . . -8.470 . 2.617 . -7.232 . 4.853 3.912 0.357 48 . 26933 7HS H26 H26 H26 H26 . H . . N 0 . . . 1 no no . . . . -9.862 . 3.396 . -8.059 . 5.972 2.635 0.893 49 . 26933 7HS H27 H27 H27 H27 . H . . N 0 . . . 1 no no . . . . -10.215 . 1.068 . -7.708 . 6.016 3.884 -1.777 50 . 26933 7HS H28 H28 H28 H28 . H . . N 0 . . . 1 no no . . . . -10.140 . 1.386 . -9.308 . 7.065 4.234 -0.535 51 . 26933 7HS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB NAV CAU no N 1 . 26933 7HS 2 . SING CAU NAW no N 2 . 26933 7HS 3 . SING CAU NAT no N 3 . 26933 7HS 4 . SING NAT CAS no N 4 . 26933 7HS 5 . SING CAS CAR no N 5 . 26933 7HS 6 . SING CAR CAQ no N 6 . 26933 7HS 7 . SING CAQ CAN no N 7 . 26933 7HS 8 . SING CAN CAO no N 8 . 26933 7HS 9 . SING CAN NAM no N 9 . 26933 7HS 10 . DOUB CAO OAX no N 10 . 26933 7HS 11 . SING NAM C no N 11 . 26933 7HS 12 . DOUB O C no N 12 . 26933 7HS 13 . SING C CA no N 13 . 26933 7HS 14 . DOUB OAC CAB no N 14 . 26933 7HS 15 . SING CAA CAB no N 15 . 26933 7HS 16 . SING CAB N no N 16 . 26933 7HS 17 . SING N CA no N 17 . 26933 7HS 18 . SING CA CB no N 18 . 26933 7HS 19 . SING CB CG no N 19 . 26933 7HS 20 . SING CG CD no N 20 . 26933 7HS 21 . SING CD CE no N 21 . 26933 7HS 22 . SING NZ CE no N 22 . 26933 7HS 23 . SING N H1 no N 23 . 26933 7HS 24 . SING CA H2 no N 24 . 26933 7HS 25 . SING CAA H3 no N 25 . 26933 7HS 26 . SING CAA H4 no N 26 . 26933 7HS 27 . SING CAA H5 no N 27 . 26933 7HS 28 . SING CAN H6 no N 28 . 26933 7HS 29 . SING CAO H7 no N 29 . 26933 7HS 30 . SING CAQ H8 no N 30 . 26933 7HS 31 . SING CAQ H9 no N 31 . 26933 7HS 32 . SING CAR H10 no N 32 . 26933 7HS 33 . SING CAR H11 no N 33 . 26933 7HS 34 . SING CAS H12 no N 34 . 26933 7HS 35 . SING CAS H13 no N 35 . 26933 7HS 36 . SING NAM H14 no N 36 . 26933 7HS 37 . SING NAT H15 no N 37 . 26933 7HS 38 . SING NAV H16 no N 38 . 26933 7HS 39 . SING NAW H17 no N 39 . 26933 7HS 40 . SING NAW H18 no N 40 . 26933 7HS 41 . SING CB H19 no N 41 . 26933 7HS 42 . SING CB H20 no N 42 . 26933 7HS 43 . SING CG H21 no N 43 . 26933 7HS 44 . SING CG H22 no N 44 . 26933 7HS 45 . SING CD H23 no N 45 . 26933 7HS 46 . SING CD H24 no N 46 . 26933 7HS 47 . SING CE H25 no N 47 . 26933 7HS 48 . SING CE H26 no N 48 . 26933 7HS 49 . SING NZ H27 no N 49 . 26933 7HS 50 . SING NZ H28 no N 50 . 26933 7HS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26933 _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 '[U-13C; U-15N; U-2H]' . . 1 $NS2B_fragment . . 0.8 . . mM . . . . 26933 1 2 NS3_fragment '[U-13C; U-15N; U-2H]' . . 2 $NS3_fragment . . 0.8 . . mM . . . . 26933 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26933 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26933 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26933 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 26933 _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 26933 1 pH 7.3 . pH 26933 1 pressure 1 . atm 26933 1 temperature 298 . K 26933 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26933 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26933 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26933 1 'Johnson, One Moon Scientific' . . 26933 1 'Keller and Wuthrich' . . 26933 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26933 1 processing 26933 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 26933 _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 26933 _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 . . . 26933 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 26933 _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 . . . . . . . . . . . . . . . . 26933 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26933 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 26933 _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 . . . . . 26933 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26933 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 26933 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 26933 _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' . . . 26933 1 2 '3D HNCACB' . . . 26933 1 4 '3D HNCA' . . . 26933 1 6 '3D HNCO' . . . 26933 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 . . 26933 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.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 13 174.186 0.300 . 1 . . . . 48 SER C . 26933 1 2 . 1 1 25 25 SER CA C 13 57.933 0.300 . 1 . . . . 48 SER CA . 26933 1 3 . 1 1 25 25 SER CB C 13 63.376 0.300 . 1 . . . . 48 SER CB . 26933 1 4 . 1 1 26 26 VAL H H 1 8.299 0.020 . 1 . . . . 49 VAL H . 26933 1 5 . 1 1 26 26 VAL C C 13 175.259 0.300 . 1 . . . . 49 VAL C . 26933 1 6 . 1 1 26 26 VAL CA C 13 61.507 0.300 . 1 . . . . 49 VAL CA . 26933 1 7 . 1 1 26 26 VAL CB C 13 32.289 0.300 . 1 . . . . 49 VAL CB . 26933 1 8 . 1 1 26 26 VAL N N 15 122.354 0.300 . 1 . . . . 49 VAL N . 26933 1 9 . 1 1 27 27 ASP H H 1 8.556 0.020 . 1 . . . . 50 ASP H . 26933 1 10 . 1 1 27 27 ASP C C 13 175.111 0.300 . 1 . . . . 50 ASP C . 26933 1 11 . 1 1 27 27 ASP CA C 13 53.968 0.300 . 1 . . . . 50 ASP CA . 26933 1 12 . 1 1 27 27 ASP CB C 13 41.179 0.300 . 1 . . . . 50 ASP CB . 26933 1 13 . 1 1 27 27 ASP N N 15 125.698 0.300 . 1 . . . . 50 ASP N . 26933 1 14 . 1 1 28 28 MET H H 1 8.281 0.020 . 1 . . . . 51 MET H . 26933 1 15 . 1 1 28 28 MET C C 13 175.206 0.300 . 1 . . . . 51 MET C . 26933 1 16 . 1 1 28 28 MET CA C 13 54.609 0.300 . 1 . . . . 51 MET CA . 26933 1 17 . 1 1 28 28 MET CB C 13 35.422 0.300 . 1 . . . . 51 MET CB . 26933 1 18 . 1 1 28 28 MET N N 15 122.277 0.300 . 1 . . . . 51 MET N . 26933 1 19 . 1 1 29 29 TYR H H 1 9.108 0.020 . 1 . . . . 52 TYR H . 26933 1 20 . 1 1 29 29 TYR C C 13 172.683 0.300 . 1 . . . . 52 TYR C . 26933 1 21 . 1 1 29 29 TYR CA C 13 54.587 0.300 . 1 . . . . 52 TYR CA . 26933 1 22 . 1 1 29 29 TYR CB C 13 40.763 0.300 . 1 . . . . 52 TYR CB . 26933 1 23 . 1 1 29 29 TYR N N 15 120.273 0.300 . 1 . . . . 52 TYR N . 26933 1 24 . 1 1 30 30 ILE H H 1 8.054 0.020 . 1 . . . . 53 ILE H . 26933 1 25 . 1 1 30 30 ILE C C 13 175.808 0.300 . 1 . . . . 53 ILE C . 26933 1 26 . 1 1 30 30 ILE CA C 13 57.675 0.300 . 1 . . . . 53 ILE CA . 26933 1 27 . 1 1 30 30 ILE CB C 13 40.213 0.300 . 1 . . . . 53 ILE CB . 26933 1 28 . 1 1 30 30 ILE N N 15 109.791 0.300 . 1 . . . . 53 ILE N . 26933 1 29 . 1 1 31 31 GLU H H 1 8.648 0.020 . 1 . . . . 54 GLU H . 26933 1 30 . 1 1 31 31 GLU C C 13 174.883 0.300 . 1 . . . . 54 GLU C . 26933 1 31 . 1 1 31 31 GLU CA C 13 54.290 0.300 . 1 . . . . 54 GLU CA . 26933 1 32 . 1 1 31 31 GLU CB C 13 33.547 0.300 . 1 . . . . 54 GLU CB . 26933 1 33 . 1 1 31 31 GLU N N 15 121.312 0.300 . 1 . . . . 54 GLU N . 26933 1 34 . 1 1 32 32 ARG H H 1 9.322 0.020 . 1 . . . . 55 ARG H . 26933 1 35 . 1 1 32 32 ARG C C 13 175.757 0.300 . 1 . . . . 55 ARG C . 26933 1 36 . 1 1 32 32 ARG CA C 13 58.678 0.300 . 1 . . . . 55 ARG CA . 26933 1 37 . 1 1 32 32 ARG CB C 13 28.593 0.300 . 1 . . . . 55 ARG CB . 26933 1 38 . 1 1 32 32 ARG N N 15 130.150 0.300 . 1 . . . . 55 ARG N . 26933 1 39 . 1 1 33 33 ALA H H 1 9.623 0.020 . 1 . . . . 56 ALA H . 26933 1 40 . 1 1 33 33 ALA C C 13 176.780 0.300 . 1 . . . . 56 ALA C . 26933 1 41 . 1 1 33 33 ALA CA C 13 51.018 0.300 . 1 . . . . 56 ALA CA . 26933 1 42 . 1 1 33 33 ALA CB C 13 19.922 0.300 . 1 . . . . 56 ALA CB . 26933 1 43 . 1 1 33 33 ALA N N 15 128.239 0.300 . 1 . . . . 56 ALA N . 26933 1 44 . 1 1 34 34 GLY H H 1 7.165 0.020 . 1 . . . . 57 GLY H . 26933 1 45 . 1 1 34 34 GLY C C 13 171.242 0.300 . 1 . . . . 57 GLY C . 26933 1 46 . 1 1 34 34 GLY CA C 13 44.754 0.300 . 1 . . . . 57 GLY CA . 26933 1 47 . 1 1 34 34 GLY N N 15 103.432 0.300 . 1 . . . . 57 GLY N . 26933 1 48 . 1 1 35 35 ASP H H 1 8.328 0.020 . 1 . . . . 58 ASP H . 26933 1 49 . 1 1 35 35 ASP C C 13 175.516 0.300 . 1 . . . . 58 ASP C . 26933 1 50 . 1 1 35 35 ASP CA C 13 53.056 0.300 . 1 . . . . 58 ASP CA . 26933 1 51 . 1 1 35 35 ASP CB C 13 41.745 0.300 . 1 . . . . 58 ASP CB . 26933 1 52 . 1 1 35 35 ASP N N 15 118.233 0.300 . 1 . . . . 58 ASP N . 26933 1 53 . 1 1 36 36 ILE H H 1 8.796 0.020 . 1 . . . . 59 ILE H . 26933 1 54 . 1 1 36 36 ILE C C 13 174.903 0.300 . 1 . . . . 59 ILE C . 26933 1 55 . 1 1 36 36 ILE CA C 13 61.308 0.300 . 1 . . . . 59 ILE CA . 26933 1 56 . 1 1 36 36 ILE CB C 13 36.332 0.300 . 1 . . . . 59 ILE CB . 26933 1 57 . 1 1 36 36 ILE N N 15 119.786 0.300 . 1 . . . . 59 ILE N . 26933 1 58 . 1 1 37 37 THR H H 1 6.929 0.020 . 1 . . . . 60 THR H . 26933 1 59 . 1 1 37 37 THR C C 13 171.659 0.300 . 1 . . . . 60 THR C . 26933 1 60 . 1 1 37 37 THR CA C 13 59.053 0.300 . 1 . . . . 60 THR CA . 26933 1 61 . 1 1 37 37 THR CB C 13 71.011 0.300 . 1 . . . . 60 THR CB . 26933 1 62 . 1 1 37 37 THR N N 15 118.363 0.300 . 1 . . . . 60 THR N . 26933 1 63 . 1 1 38 38 TRP H H 1 8.601 0.020 . 1 . . . . 61 TRP H . 26933 1 64 . 1 1 38 38 TRP C C 13 175.667 0.300 . 1 . . . . 61 TRP C . 26933 1 65 . 1 1 38 38 TRP CA C 13 56.420 0.300 . 1 . . . . 61 TRP CA . 26933 1 66 . 1 1 38 38 TRP CB C 13 28.721 0.300 . 1 . . . . 61 TRP CB . 26933 1 67 . 1 1 38 38 TRP N N 15 123.521 0.300 . 1 . . . . 61 TRP N . 26933 1 68 . 1 1 39 39 GLU H H 1 8.554 0.020 . 1 . . . . 62 GLU H . 26933 1 69 . 1 1 39 39 GLU C C 13 176.310 0.300 . 1 . . . . 62 GLU C . 26933 1 70 . 1 1 39 39 GLU CA C 13 53.941 0.300 . 1 . . . . 62 GLU CA . 26933 1 71 . 1 1 39 39 GLU CB C 13 30.487 0.300 . 1 . . . . 62 GLU CB . 26933 1 72 . 1 1 39 39 GLU N N 15 130.787 0.300 . 1 . . . . 62 GLU N . 26933 1 73 . 1 1 40 40 LYS H H 1 8.896 0.020 . 1 . . . . 63 LYS H . 26933 1 74 . 1 1 40 40 LYS C C 13 176.664 0.300 . 1 . . . . 63 LYS C . 26933 1 75 . 1 1 40 40 LYS CA C 13 58.078 0.300 . 1 . . . . 63 LYS CA . 26933 1 76 . 1 1 40 40 LYS CB C 13 31.126 0.300 . 1 . . . . 63 LYS CB . 26933 1 77 . 1 1 40 40 LYS N N 15 127.725 0.300 . 1 . . . . 63 LYS N . 26933 1 78 . 1 1 41 41 ASP H H 1 8.683 0.020 . 1 . . . . 64 ASP H . 26933 1 79 . 1 1 41 41 ASP C C 13 174.921 0.300 . 1 . . . . 64 ASP C . 26933 1 80 . 1 1 41 41 ASP CA C 13 53.700 0.300 . 1 . . . . 64 ASP CA . 26933 1 81 . 1 1 41 41 ASP CB C 13 39.057 0.300 . 1 . . . . 64 ASP CB . 26933 1 82 . 1 1 41 41 ASP N N 15 118.547 0.300 . 1 . . . . 64 ASP N . 26933 1 83 . 1 1 42 42 ALA H H 1 7.058 0.020 . 1 . . . . 65 ALA H . 26933 1 84 . 1 1 42 42 ALA C C 13 177.102 0.300 . 1 . . . . 65 ALA C . 26933 1 85 . 1 1 42 42 ALA CA C 13 51.777 0.300 . 1 . . . . 65 ALA CA . 26933 1 86 . 1 1 42 42 ALA CB C 13 19.037 0.300 . 1 . . . . 65 ALA CB . 26933 1 87 . 1 1 42 42 ALA N N 15 121.579 0.300 . 1 . . . . 65 ALA N . 26933 1 88 . 1 1 43 43 GLU H H 1 8.281 0.020 . 1 . . . . 66 GLU H . 26933 1 89 . 1 1 43 43 GLU C C 13 174.300 0.300 . 1 . . . . 66 GLU C . 26933 1 90 . 1 1 43 43 GLU CA C 13 56.000 0.300 . 1 . . . . 66 GLU CA . 26933 1 91 . 1 1 43 43 GLU CB C 13 29.660 0.300 . 1 . . . . 66 GLU CB . 26933 1 92 . 1 1 43 43 GLU N N 15 121.494 0.300 . 1 . . . . 66 GLU N . 26933 1 93 . 1 1 44 44 VAL H H 1 8.222 0.020 . 1 . . . . 67 VAL H . 26933 1 94 . 1 1 44 44 VAL C C 13 176.866 0.300 . 1 . . . . 67 VAL C . 26933 1 95 . 1 1 44 44 VAL CA C 13 60.261 0.300 . 1 . . . . 67 VAL CA . 26933 1 96 . 1 1 44 44 VAL CB C 13 32.230 0.300 . 1 . . . . 67 VAL CB . 26933 1 97 . 1 1 44 44 VAL N N 15 123.957 0.300 . 1 . . . . 67 VAL N . 26933 1 98 . 1 1 45 45 THR H H 1 8.874 0.020 . 1 . . . . 68 THR H . 26933 1 99 . 1 1 45 45 THR C C 13 173.287 0.300 . 1 . . . . 68 THR C . 26933 1 100 . 1 1 45 45 THR CA C 13 60.424 0.300 . 1 . . . . 68 THR CA . 26933 1 101 . 1 1 45 45 THR CB C 13 69.428 0.300 . 1 . . . . 68 THR CB . 26933 1 102 . 1 1 45 45 THR N N 15 122.055 0.300 . 1 . . . . 68 THR N . 26933 1 103 . 1 1 46 46 GLY H H 1 8.174 0.020 . 1 . . . . 69 GLY H . 26933 1 104 . 1 1 46 46 GLY C C 13 173.423 0.300 . 1 . . . . 69 GLY C . 26933 1 105 . 1 1 46 46 GLY CA C 13 43.788 0.300 . 1 . . . . 69 GLY CA . 26933 1 106 . 1 1 46 46 GLY N N 15 110.162 0.300 . 1 . . . . 69 GLY N . 26933 1 107 . 1 1 47 47 ASN H H 1 7.863 0.020 . 1 . . . . 70 ASN H . 26933 1 108 . 1 1 47 47 ASN C C 13 172.808 0.300 . 1 . . . . 70 ASN C . 26933 1 109 . 1 1 47 47 ASN CA C 13 51.810 0.300 . 1 . . . . 70 ASN CA . 26933 1 110 . 1 1 47 47 ASN CB C 13 38.653 0.300 . 1 . . . . 70 ASN CB . 26933 1 111 . 1 1 47 47 ASN N N 15 119.284 0.300 . 1 . . . . 70 ASN N . 26933 1 112 . 1 1 48 48 SER H H 1 8.213 0.020 . 1 . . . . 71 SER H . 26933 1 113 . 1 1 48 48 SER CA C 13 54.360 0.300 . 1 . . . . 71 SER CA . 26933 1 114 . 1 1 48 48 SER CB C 13 62.546 0.300 . 1 . . . . 71 SER CB . 26933 1 115 . 1 1 48 48 SER N N 15 112.804 0.300 . 1 . . . . 71 SER N . 26933 1 116 . 1 1 49 49 PRO C C 13 175.156 0.300 . 1 . . . . 72 PRO C . 26933 1 117 . 1 1 49 49 PRO CA C 13 62.137 0.300 . 1 . . . . 72 PRO CA . 26933 1 118 . 1 1 49 49 PRO CB C 13 31.844 0.300 . 1 . . . . 72 PRO CB . 26933 1 119 . 1 1 50 50 ARG H H 1 8.419 0.020 . 1 . . . . 73 ARG H . 26933 1 120 . 1 1 50 50 ARG C C 13 175.313 0.300 . 1 . . . . 73 ARG C . 26933 1 121 . 1 1 50 50 ARG CA C 13 54.996 0.300 . 1 . . . . 73 ARG CA . 26933 1 122 . 1 1 50 50 ARG CB C 13 29.795 0.300 . 1 . . . . 73 ARG CB . 26933 1 123 . 1 1 50 50 ARG N N 15 120.172 0.300 . 1 . . . . 73 ARG N . 26933 1 124 . 1 1 51 51 LEU H H 1 8.511 0.020 . 1 . . . . 74 LEU H . 26933 1 125 . 1 1 51 51 LEU C C 13 174.689 0.300 . 1 . . . . 74 LEU C . 26933 1 126 . 1 1 51 51 LEU CA C 13 52.824 0.300 . 1 . . . . 74 LEU CA . 26933 1 127 . 1 1 51 51 LEU CB C 13 44.968 0.300 . 1 . . . . 74 LEU CB . 26933 1 128 . 1 1 51 51 LEU N N 15 124.499 0.300 . 1 . . . . 74 LEU N . 26933 1 129 . 1 1 52 52 ASP H H 1 8.643 0.020 . 1 . . . . 75 ASP H . 26933 1 130 . 1 1 52 52 ASP C C 13 175.493 0.300 . 1 . . . . 75 ASP C . 26933 1 131 . 1 1 52 52 ASP CA C 13 54.053 0.300 . 1 . . . . 75 ASP CA . 26933 1 132 . 1 1 52 52 ASP CB C 13 40.698 0.300 . 1 . . . . 75 ASP CB . 26933 1 133 . 1 1 52 52 ASP N N 15 123.965 0.300 . 1 . . . . 75 ASP N . 26933 1 134 . 1 1 53 53 VAL H H 1 8.212 0.020 . 1 . . . . 76 VAL H . 26933 1 135 . 1 1 53 53 VAL C C 13 173.922 0.300 . 1 . . . . 76 VAL C . 26933 1 136 . 1 1 53 53 VAL CA C 13 58.540 0.300 . 1 . . . . 76 VAL CA . 26933 1 137 . 1 1 53 53 VAL CB C 13 36.454 0.300 . 1 . . . . 76 VAL CB . 26933 1 138 . 1 1 53 53 VAL N N 15 116.827 0.300 . 1 . . . . 76 VAL N . 26933 1 139 . 1 1 54 54 ALA H H 1 8.935 0.020 . 1 . . . . 77 ALA H . 26933 1 140 . 1 1 54 54 ALA C C 13 174.790 0.300 . 1 . . . . 77 ALA C . 26933 1 141 . 1 1 54 54 ALA CA C 13 50.170 0.300 . 1 . . . . 77 ALA CA . 26933 1 142 . 1 1 54 54 ALA CB C 13 21.002 0.300 . 1 . . . . 77 ALA CB . 26933 1 143 . 1 1 54 54 ALA N N 15 123.008 0.300 . 1 . . . . 77 ALA N . 26933 1 144 . 1 1 55 55 LEU H H 1 8.582 0.020 . 1 . . . . 78 LEU H . 26933 1 145 . 1 1 55 55 LEU C C 13 175.889 0.300 . 1 . . . . 78 LEU C . 26933 1 146 . 1 1 55 55 LEU CA C 13 53.102 0.300 . 1 . . . . 78 LEU CA . 26933 1 147 . 1 1 55 55 LEU CB C 13 43.318 0.300 . 1 . . . . 78 LEU CB . 26933 1 148 . 1 1 55 55 LEU N N 15 124.608 0.300 . 1 . . . . 78 LEU N . 26933 1 149 . 1 1 56 56 ASP H H 1 7.986 0.020 . 1 . . . . 79 ASP H . 26933 1 150 . 1 1 56 56 ASP C C 13 176.986 0.300 . 1 . . . . 79 ASP C . 26933 1 151 . 1 1 56 56 ASP CA C 13 52.091 0.300 . 1 . . . . 79 ASP CA . 26933 1 152 . 1 1 56 56 ASP CB C 13 41.192 0.300 . 1 . . . . 79 ASP CB . 26933 1 153 . 1 1 56 56 ASP N N 15 126.793 0.300 . 1 . . . . 79 ASP N . 26933 1 154 . 1 1 57 57 GLU H H 1 8.259 0.020 . 1 . . . . 80 GLU H . 26933 1 155 . 1 1 57 57 GLU C C 13 177.051 0.300 . 1 . . . . 80 GLU C . 26933 1 156 . 1 1 57 57 GLU CA C 13 57.668 0.300 . 1 . . . . 80 GLU CA . 26933 1 157 . 1 1 57 57 GLU CB C 13 28.008 0.300 . 1 . . . . 80 GLU CB . 26933 1 158 . 1 1 57 57 GLU N N 15 114.723 0.300 . 1 . . . . 80 GLU N . 26933 1 159 . 1 1 58 58 SER H H 1 8.092 0.020 . 1 . . . . 81 SER H . 26933 1 160 . 1 1 58 58 SER C C 13 174.068 0.300 . 1 . . . . 81 SER C . 26933 1 161 . 1 1 58 58 SER CA C 13 57.722 0.300 . 1 . . . . 81 SER CA . 26933 1 162 . 1 1 58 58 SER CB C 13 63.131 0.300 . 1 . . . . 81 SER CB . 26933 1 163 . 1 1 58 58 SER N N 15 113.490 0.300 . 1 . . . . 81 SER N . 26933 1 164 . 1 1 59 59 GLY H H 1 7.999 0.020 . 1 . . . . 82 GLY H . 26933 1 165 . 1 1 59 59 GLY C C 13 173.155 0.300 . 1 . . . . 82 GLY C . 26933 1 166 . 1 1 59 59 GLY CA C 13 46.567 0.300 . 1 . . . . 82 GLY CA . 26933 1 167 . 1 1 59 59 GLY N N 15 108.788 0.300 . 1 . . . . 82 GLY N . 26933 1 168 . 1 1 60 60 ASP H H 1 7.803 0.020 . 1 . . . . 83 ASP H . 26933 1 169 . 1 1 60 60 ASP C C 13 176.570 0.300 . 1 . . . . 83 ASP C . 26933 1 170 . 1 1 60 60 ASP CA C 13 52.988 0.300 . 1 . . . . 83 ASP CA . 26933 1 171 . 1 1 60 60 ASP CB C 13 40.761 0.300 . 1 . . . . 83 ASP CB . 26933 1 172 . 1 1 60 60 ASP N N 15 118.550 0.300 . 1 . . . . 83 ASP N . 26933 1 173 . 1 1 61 61 PHE H H 1 9.495 0.020 . 1 . . . . 84 PHE H . 26933 1 174 . 1 1 61 61 PHE C C 13 176.678 0.300 . 1 . . . . 84 PHE C . 26933 1 175 . 1 1 61 61 PHE CA C 13 57.499 0.300 . 1 . . . . 84 PHE CA . 26933 1 176 . 1 1 61 61 PHE CB C 13 40.580 0.300 . 1 . . . . 84 PHE CB . 26933 1 177 . 1 1 61 61 PHE N N 15 124.232 0.300 . 1 . . . . 84 PHE N . 26933 1 178 . 1 1 62 62 SER H H 1 9.104 0.020 . 1 . . . . 85 SER H . 26933 1 179 . 1 1 62 62 SER C C 13 173.365 0.300 . 1 . . . . 85 SER C . 26933 1 180 . 1 1 62 62 SER CA C 13 56.460 0.300 . 1 . . . . 85 SER CA . 26933 1 181 . 1 1 62 62 SER CB C 13 65.364 0.300 . 1 . . . . 85 SER CB . 26933 1 182 . 1 1 62 62 SER N N 15 112.997 0.300 . 1 . . . . 85 SER N . 26933 1 183 . 1 1 63 63 LEU H H 1 8.770 0.020 . 1 . . . . 86 LEU H . 26933 1 184 . 1 1 63 63 LEU C C 13 177.440 0.300 . 1 . . . . 86 LEU C . 26933 1 185 . 1 1 63 63 LEU CA C 13 54.729 0.300 . 1 . . . . 86 LEU CA . 26933 1 186 . 1 1 63 63 LEU CB C 13 41.282 0.300 . 1 . . . . 86 LEU CB . 26933 1 187 . 1 1 63 63 LEU N N 15 121.901 0.300 . 1 . . . . 86 LEU N . 26933 1 188 . 1 1 64 64 VAL H H 1 8.024 0.020 . 1 . . . . 87 VAL H . 26933 1 189 . 1 1 64 64 VAL C C 13 175.897 0.300 . 1 . . . . 87 VAL C . 26933 1 190 . 1 1 64 64 VAL CA C 13 62.179 0.300 . 1 . . . . 87 VAL CA . 26933 1 191 . 1 1 64 64 VAL CB C 13 31.856 0.300 . 1 . . . . 87 VAL CB . 26933 1 192 . 1 1 64 64 VAL N N 15 123.921 0.300 . 1 . . . . 87 VAL N . 26933 1 193 . 1 1 65 65 GLU H H 1 8.530 0.020 . 1 . . . . 88 GLU H . 26933 1 194 . 1 1 65 65 GLU CA C 13 55.394 0.300 . 1 . . . . 88 GLU CA . 26933 1 195 . 1 1 65 65 GLU CB C 13 30.104 0.300 . 1 . . . . 88 GLU CB . 26933 1 196 . 1 1 65 65 GLU N N 15 125.421 0.300 . 1 . . . . 88 GLU N . 26933 1 197 . 1 1 66 66 GLU C C 13 176.125 0.300 . 1 . . . . 89 GLU C . 26933 1 198 . 1 1 66 66 GLU CA C 13 55.988 0.300 . 1 . . . . 89 GLU CA . 26933 1 199 . 1 1 66 66 GLU CB C 13 29.670 0.300 . 1 . . . . 89 GLU CB . 26933 1 200 . 1 1 67 67 ASP H H 1 8.529 0.020 . 1 . . . . 90 ASP H . 26933 1 201 . 1 1 67 67 ASP C C 13 176.305 0.300 . 1 . . . . 90 ASP C . 26933 1 202 . 1 1 67 67 ASP CA C 13 53.949 0.300 . 1 . . . . 90 ASP CA . 26933 1 203 . 1 1 67 67 ASP CB C 13 40.681 0.300 . 1 . . . . 90 ASP CB . 26933 1 204 . 1 1 67 67 ASP N N 15 121.855 0.300 . 1 . . . . 90 ASP N . 26933 1 205 . 1 1 68 68 GLY H H 1 8.143 0.020 . 1 . . . . 91 GLY H . 26933 1 206 . 1 1 68 68 GLY CA C 13 44.008 0.300 . 1 . . . . 91 GLY CA . 26933 1 207 . 1 1 68 68 GLY N N 15 108.980 0.300 . 1 . . . . 91 GLY N . 26933 1 208 . 1 1 70 70 PRO C C 13 177.021 0.300 . 1 . . . . 93 PRO C . 26933 1 209 . 1 1 70 70 PRO CA C 13 62.437 0.300 . 1 . . . . 93 PRO CA . 26933 1 210 . 1 1 70 70 PRO CB C 13 30.922 0.300 . 1 . . . . 93 PRO CB . 26933 1 211 . 1 1 71 71 MET H H 1 8.461 0.020 . 1 . . . . 94 MET H . 26933 1 212 . 1 1 71 71 MET C C 13 176.073 0.300 . 1 . . . . 94 MET C . 26933 1 213 . 1 1 71 71 MET CA C 13 54.934 0.300 . 1 . . . . 94 MET CA . 26933 1 214 . 1 1 71 71 MET CB C 13 31.926 0.300 . 1 . . . . 94 MET CB . 26933 1 215 . 1 1 71 71 MET N N 15 120.672 0.300 . 1 . . . . 94 MET N . 26933 1 216 . 1 1 72 72 ARG H H 1 8.365 0.020 . 1 . . . . 95 ARG H . 26933 1 217 . 1 1 72 72 ARG C C 13 175.219 0.300 . 1 . . . . 95 ARG C . 26933 1 218 . 1 1 72 72 ARG CA C 13 55.404 0.300 . 1 . . . . 95 ARG CA . 26933 1 219 . 1 1 72 72 ARG CB C 13 29.931 0.300 . 1 . . . . 95 ARG CB . 26933 1 220 . 1 1 72 72 ARG N N 15 122.976 0.300 . 1 . . . . 95 ARG N . 26933 1 221 . 1 1 73 73 GLU H H 1 8.088 0.020 . 1 . . . . 96 GLU H . 26933 1 222 . 1 1 73 73 GLU CA C 13 57.596 0.300 . 1 . . . . 96 GLU CA . 26933 1 223 . 1 1 73 73 GLU CB C 13 30.180 0.300 . 1 . . . . 96 GLU CB . 26933 1 224 . 1 1 73 73 GLU N N 15 127.322 0.300 . 1 . . . . 96 GLU N . 26933 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 26933 _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' . . . 26933 2 2 '3D HNCACB' . . . 26933 2 4 '3D HNCA' . . . 26933 2 6 '3D HNCO' . . . 26933 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 . . 26933 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.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 13 173.752 0.300 . 1 . . . . 2 GLY C . 26933 2 2 . 2 2 3 3 GLY CA C 13 44.700 0.300 . 1 . . . . 2 GLY CA . 26933 2 3 . 2 2 4 4 ALA H H 1 8.129 0.020 . 1 . . . . 3 ALA H . 26933 2 4 . 2 2 4 4 ALA C C 13 177.822 0.300 . 1 . . . . 3 ALA C . 26933 2 5 . 2 2 4 4 ALA CA C 13 51.826 0.300 . 1 . . . . 3 ALA CA . 26933 2 6 . 2 2 4 4 ALA CB C 13 18.242 0.300 . 1 . . . . 3 ALA CB . 26933 2 7 . 2 2 4 4 ALA N N 15 123.683 0.300 . 1 . . . . 3 ALA N . 26933 2 8 . 2 2 5 5 LEU H H 1 8.053 0.020 . 1 . . . . 4 LEU H . 26933 2 9 . 2 2 5 5 LEU C C 13 176.977 0.300 . 1 . . . . 4 LEU C . 26933 2 10 . 2 2 5 5 LEU CA C 13 54.916 0.300 . 1 . . . . 4 LEU CA . 26933 2 11 . 2 2 5 5 LEU CB C 13 41.102 0.300 . 1 . . . . 4 LEU CB . 26933 2 12 . 2 2 5 5 LEU N N 15 120.571 0.300 . 1 . . . . 4 LEU N . 26933 2 13 . 2 2 6 6 TRP H H 1 7.631 0.020 . 1 . . . . 5 TRP H . 26933 2 14 . 2 2 6 6 TRP C C 13 175.594 0.300 . 1 . . . . 5 TRP C . 26933 2 15 . 2 2 6 6 TRP CA C 13 56.224 0.300 . 1 . . . . 5 TRP CA . 26933 2 16 . 2 2 6 6 TRP CB C 13 28.952 0.300 . 1 . . . . 5 TRP CB . 26933 2 17 . 2 2 6 6 TRP N N 15 118.749 0.300 . 1 . . . . 5 TRP N . 26933 2 18 . 2 2 7 7 ASP H H 1 8.104 0.020 . 1 . . . . 6 ASP H . 26933 2 19 . 2 2 7 7 ASP C C 13 175.481 0.300 . 1 . . . . 6 ASP C . 26933 2 20 . 2 2 7 7 ASP CA C 13 53.586 0.300 . 1 . . . . 6 ASP CA . 26933 2 21 . 2 2 7 7 ASP CB C 13 40.373 0.300 . 1 . . . . 6 ASP CB . 26933 2 22 . 2 2 7 7 ASP N N 15 121.519 0.300 . 1 . . . . 6 ASP N . 26933 2 23 . 2 2 8 8 VAL H H 1 7.918 0.020 . 1 . . . . 7 VAL H . 26933 2 24 . 2 2 8 8 VAL CA C 13 59.354 0.300 . 1 . . . . 7 VAL CA . 26933 2 25 . 2 2 8 8 VAL CB C 13 32.031 0.300 . 1 . . . . 7 VAL CB . 26933 2 26 . 2 2 8 8 VAL N N 15 121.230 0.300 . 1 . . . . 7 VAL N . 26933 2 27 . 2 2 9 9 PRO C C 13 176.278 0.300 . 1 . . . . 8 PRO C . 26933 2 28 . 2 2 9 9 PRO CA C 13 62.447 0.300 . 1 . . . . 8 PRO CA . 26933 2 29 . 2 2 9 9 PRO CB C 13 31.117 0.300 . 1 . . . . 8 PRO CB . 26933 2 30 . 2 2 10 10 ALA H H 1 8.346 0.020 . 1 . . . . 9 ALA H . 26933 2 31 . 2 2 10 10 ALA CA C 13 49.908 0.300 . 1 . . . . 9 ALA CA . 26933 2 32 . 2 2 10 10 ALA CB C 13 17.046 0.300 . 1 . . . . 9 ALA CB . 26933 2 33 . 2 2 10 10 ALA N N 15 125.282 0.300 . 1 . . . . 9 ALA N . 26933 2 34 . 2 2 13 13 GLU C C 13 176.201 0.300 . 1 . . . . 12 GLU C . 26933 2 35 . 2 2 13 13 GLU CA C 13 55.758 0.300 . 1 . . . . 12 GLU CA . 26933 2 36 . 2 2 13 13 GLU CB C 13 29.418 0.300 . 1 . . . . 12 GLU CB . 26933 2 37 . 2 2 14 14 VAL H H 1 8.269 0.020 . 1 . . . . 13 VAL H . 26933 2 38 . 2 2 14 14 VAL C C 13 175.971 0.300 . 1 . . . . 13 VAL C . 26933 2 39 . 2 2 14 14 VAL CA C 13 61.844 0.300 . 1 . . . . 13 VAL CA . 26933 2 40 . 2 2 14 14 VAL CB C 13 32.310 0.300 . 1 . . . . 13 VAL CB . 26933 2 41 . 2 2 14 14 VAL N N 15 122.355 0.300 . 1 . . . . 13 VAL N . 26933 2 42 . 2 2 15 15 LYS H H 1 8.452 0.020 . 1 . . . . 14 LYS H . 26933 2 43 . 2 2 15 15 LYS C C 13 176.200 0.300 . 1 . . . . 14 LYS C . 26933 2 44 . 2 2 15 15 LYS CA C 13 55.297 0.300 . 1 . . . . 14 LYS CA . 26933 2 45 . 2 2 15 15 LYS CB C 13 32.092 0.300 . 1 . . . . 14 LYS CB . 26933 2 46 . 2 2 15 15 LYS N N 15 125.781 0.300 . 1 . . . . 14 LYS N . 26933 2 47 . 2 2 16 16 LYS H H 1 8.485 0.020 . 1 . . . . 15 LYS H . 26933 2 48 . 2 2 16 16 LYS C C 13 177.392 0.300 . 1 . . . . 15 LYS C . 26933 2 49 . 2 2 16 16 LYS CA C 13 56.103 0.300 . 1 . . . . 15 LYS CA . 26933 2 50 . 2 2 16 16 LYS CB C 13 32.002 0.300 . 1 . . . . 15 LYS CB . 26933 2 51 . 2 2 16 16 LYS N N 15 123.578 0.300 . 1 . . . . 15 LYS N . 26933 2 52 . 2 2 17 17 GLY H H 1 8.381 0.020 . 1 . . . . 16 GLY H . 26933 2 53 . 2 2 17 17 GLY C C 13 173.053 0.300 . 1 . . . . 16 GLY C . 26933 2 54 . 2 2 17 17 GLY CA C 13 44.363 0.300 . 1 . . . . 16 GLY CA . 26933 2 55 . 2 2 17 17 GLY N N 15 109.948 0.300 . 1 . . . . 16 GLY N . 26933 2 56 . 2 2 18 18 GLU H H 1 7.840 0.020 . 1 . . . . 17 GLU H . 26933 2 57 . 2 2 18 18 GLU C C 13 177.403 0.300 . 1 . . . . 17 GLU C . 26933 2 58 . 2 2 18 18 GLU CA C 13 56.220 0.300 . 1 . . . . 17 GLU CA . 26933 2 59 . 2 2 18 18 GLU CB C 13 29.313 0.300 . 1 . . . . 17 GLU CB . 26933 2 60 . 2 2 18 18 GLU N N 15 120.600 0.300 . 1 . . . . 17 GLU N . 26933 2 61 . 2 2 19 19 THR H H 1 8.467 0.020 . 1 . . . . 18 THR H . 26933 2 62 . 2 2 19 19 THR C C 13 174.314 0.300 . 1 . . . . 18 THR C . 26933 2 63 . 2 2 19 19 THR CA C 13 60.064 0.300 . 1 . . . . 18 THR CA . 26933 2 64 . 2 2 19 19 THR CB C 13 68.812 0.300 . 1 . . . . 18 THR CB . 26933 2 65 . 2 2 19 19 THR N N 15 113.758 0.300 . 1 . . . . 18 THR N . 26933 2 66 . 2 2 20 20 THR H H 1 7.770 0.020 . 1 . . . . 19 THR H . 26933 2 67 . 2 2 20 20 THR C C 13 175.928 0.300 . 1 . . . . 19 THR C . 26933 2 68 . 2 2 20 20 THR CA C 13 62.185 0.300 . 1 . . . . 19 THR CA . 26933 2 69 . 2 2 20 20 THR CB C 13 69.090 0.300 . 1 . . . . 19 THR CB . 26933 2 70 . 2 2 20 20 THR N N 15 116.293 0.300 . 1 . . . . 19 THR N . 26933 2 71 . 2 2 21 21 ASP H H 1 8.926 0.020 . 1 . . . . 20 ASP H . 26933 2 72 . 2 2 21 21 ASP C C 13 176.940 0.300 . 1 . . . . 20 ASP C . 26933 2 73 . 2 2 21 21 ASP CA C 13 55.096 0.300 . 1 . . . . 20 ASP CA . 26933 2 74 . 2 2 21 21 ASP CB C 13 40.037 0.300 . 1 . . . . 20 ASP CB . 26933 2 75 . 2 2 21 21 ASP N N 15 126.461 0.300 . 1 . . . . 20 ASP N . 26933 2 76 . 2 2 22 22 GLY H H 1 8.706 0.020 . 1 . . . . 21 GLY H . 26933 2 77 . 2 2 22 22 GLY C C 13 171.593 0.300 . 1 . . . . 21 GLY C . 26933 2 78 . 2 2 22 22 GLY CA C 13 44.829 0.300 . 1 . . . . 21 GLY CA . 26933 2 79 . 2 2 22 22 GLY N N 15 106.752 0.300 . 1 . . . . 21 GLY N . 26933 2 80 . 2 2 23 23 VAL H H 1 8.682 0.020 . 1 . . . . 22 VAL H . 26933 2 81 . 2 2 23 23 VAL CA C 13 59.006 0.300 . 1 . . . . 22 VAL CA . 26933 2 82 . 2 2 23 23 VAL CB C 13 33.672 0.300 . 1 . . . . 22 VAL CB . 26933 2 83 . 2 2 23 23 VAL N N 15 118.667 0.300 . 1 . . . . 22 VAL N . 26933 2 84 . 2 2 27 27 MET C C 13 175.564 0.300 . 1 . . . . 26 MET C . 26933 2 85 . 2 2 27 27 MET CA C 13 51.477 0.300 . 1 . . . . 26 MET CA . 26933 2 86 . 2 2 27 27 MET CB C 13 32.347 0.300 . 1 . . . . 26 MET CB . 26933 2 87 . 2 2 28 28 THR H H 1 8.936 0.020 . 1 . . . . 27 THR H . 26933 2 88 . 2 2 28 28 THR C C 13 173.537 0.300 . 1 . . . . 27 THR C . 26933 2 89 . 2 2 28 28 THR CA C 13 59.535 0.300 . 1 . . . . 27 THR CA . 26933 2 90 . 2 2 28 28 THR CB C 13 70.675 0.300 . 1 . . . . 27 THR CB . 26933 2 91 . 2 2 28 28 THR N N 15 111.605 0.300 . 1 . . . . 27 THR N . 26933 2 92 . 2 2 29 29 ARG H H 1 8.645 0.020 . 1 . . . . 28 ARG H . 26933 2 93 . 2 2 29 29 ARG C C 13 175.639 0.300 . 1 . . . . 28 ARG C . 26933 2 94 . 2 2 29 29 ARG CA C 13 56.000 0.300 . 1 . . . . 28 ARG CA . 26933 2 95 . 2 2 29 29 ARG CB C 13 30.210 0.300 . 1 . . . . 28 ARG CB . 26933 2 96 . 2 2 29 29 ARG N N 15 125.717 0.300 . 1 . . . . 28 ARG N . 26933 2 97 . 2 2 30 30 LYS H H 1 8.275 0.020 . 1 . . . . 29 LYS H . 26933 2 98 . 2 2 30 30 LYS CA C 13 54.343 0.300 . 1 . . . . 29 LYS CA . 26933 2 99 . 2 2 30 30 LYS CB C 13 30.751 0.300 . 1 . . . . 29 LYS CB . 26933 2 100 . 2 2 30 30 LYS N N 15 124.888 0.300 . 1 . . . . 29 LYS N . 26933 2 101 . 2 2 31 31 LEU C C 13 178.206 0.300 . 1 . . . . 30 LEU C . 26933 2 102 . 2 2 31 31 LEU CA C 13 57.602 0.300 . 1 . . . . 30 LEU CA . 26933 2 103 . 2 2 31 31 LEU CB C 13 40.163 0.300 . 1 . . . . 30 LEU CB . 26933 2 104 . 2 2 32 32 LEU H H 1 8.043 0.020 . 1 . . . . 31 LEU H . 26933 2 105 . 2 2 32 32 LEU C C 13 176.889 0.300 . 1 . . . . 31 LEU C . 26933 2 106 . 2 2 32 32 LEU CA C 13 54.409 0.300 . 1 . . . . 31 LEU CA . 26933 2 107 . 2 2 32 32 LEU CB C 13 40.640 0.300 . 1 . . . . 31 LEU CB . 26933 2 108 . 2 2 32 32 LEU N N 15 116.660 0.300 . 1 . . . . 31 LEU N . 26933 2 109 . 2 2 33 33 GLY H H 1 7.731 0.020 . 1 . . . . 32 GLY H . 26933 2 110 . 2 2 33 33 GLY C C 13 173.038 0.300 . 1 . . . . 32 GLY C . 26933 2 111 . 2 2 33 33 GLY CA C 13 44.520 0.300 . 1 . . . . 32 GLY CA . 26933 2 112 . 2 2 33 33 GLY N N 15 108.240 0.300 . 1 . . . . 32 GLY N . 26933 2 113 . 2 2 34 34 SER H H 1 8.604 0.020 . 1 . . . . 33 SER H . 26933 2 114 . 2 2 34 34 SER C C 13 173.764 0.300 . 1 . . . . 33 SER C . 26933 2 115 . 2 2 34 34 SER CA C 13 57.420 0.300 . 1 . . . . 33 SER CA . 26933 2 116 . 2 2 34 34 SER CB C 13 65.287 0.300 . 1 . . . . 33 SER CB . 26933 2 117 . 2 2 34 34 SER N N 15 116.732 0.300 . 1 . . . . 33 SER N . 26933 2 118 . 2 2 35 35 THR H H 1 8.774 0.020 . 1 . . . . 34 THR H . 26933 2 119 . 2 2 35 35 THR C C 13 172.419 0.300 . 1 . . . . 34 THR C . 26933 2 120 . 2 2 35 35 THR CA C 13 60.552 0.300 . 1 . . . . 34 THR CA . 26933 2 121 . 2 2 35 35 THR CB C 13 71.330 0.300 . 1 . . . . 34 THR CB . 26933 2 122 . 2 2 35 35 THR N N 15 117.403 0.300 . 1 . . . . 34 THR N . 26933 2 123 . 2 2 36 36 GLN H H 1 9.001 0.020 . 1 . . . . 35 GLN H . 26933 2 124 . 2 2 36 36 GLN C C 13 175.604 0.300 . 1 . . . . 35 GLN C . 26933 2 125 . 2 2 36 36 GLN CA C 13 55.860 0.300 . 1 . . . . 35 GLN CA . 26933 2 126 . 2 2 36 36 GLN CB C 13 28.835 0.300 . 1 . . . . 35 GLN CB . 26933 2 127 . 2 2 36 36 GLN N N 15 127.130 0.300 . 1 . . . . 35 GLN N . 26933 2 128 . 2 2 37 37 VAL H H 1 9.126 0.020 . 1 . . . . 36 VAL H . 26933 2 129 . 2 2 37 37 VAL CA C 13 60.737 0.300 . 1 . . . . 36 VAL CA . 26933 2 130 . 2 2 37 37 VAL CB C 13 32.001 0.300 . 1 . . . . 36 VAL CB . 26933 2 131 . 2 2 37 37 VAL N N 15 120.402 0.300 . 1 . . . . 36 VAL N . 26933 2 132 . 2 2 38 38 GLY C C 13 169.436 0.300 . 1 . . . . 37 GLY C . 26933 2 133 . 2 2 38 38 GLY CA C 13 46.057 0.300 . 1 . . . . 37 GLY CA . 26933 2 134 . 2 2 39 39 VAL H H 1 8.846 0.020 . 1 . . . . 38 VAL H . 26933 2 135 . 2 2 39 39 VAL CA C 13 59.920 0.300 . 1 . . . . 38 VAL CA . 26933 2 136 . 2 2 39 39 VAL CB C 13 36.647 0.300 . 1 . . . . 38 VAL CB . 26933 2 137 . 2 2 39 39 VAL N N 15 123.037 0.300 . 1 . . . . 38 VAL N . 26933 2 138 . 2 2 41 41 VAL C C 13 175.015 0.300 . 1 . . . . 40 VAL C . 26933 2 139 . 2 2 41 41 VAL CA C 13 60.273 0.300 . 1 . . . . 40 VAL CA . 26933 2 140 . 2 2 42 42 MET H H 1 9.810 0.020 . 1 . . . . 41 MET H . 26933 2 141 . 2 2 42 42 MET C C 13 175.234 0.300 . 1 . . . . 41 MET C . 26933 2 142 . 2 2 42 42 MET CA C 13 52.980 0.300 . 1 . . . . 41 MET CA . 26933 2 143 . 2 2 42 42 MET CB C 13 34.686 0.300 . 1 . . . . 41 MET CB . 26933 2 144 . 2 2 42 42 MET N N 15 133.094 0.300 . 1 . . . . 41 MET N . 26933 2 145 . 2 2 43 43 GLN H H 1 9.330 0.020 . 1 . . . . 42 GLN H . 26933 2 146 . 2 2 43 43 GLN C C 13 174.585 0.300 . 1 . . . . 42 GLN C . 26933 2 147 . 2 2 43 43 GLN CA C 13 56.294 0.300 . 1 . . . . 42 GLN CA . 26933 2 148 . 2 2 43 43 GLN CB C 13 31.957 0.300 . 1 . . . . 42 GLN CB . 26933 2 149 . 2 2 43 43 GLN N N 15 129.017 0.300 . 1 . . . . 42 GLN N . 26933 2 150 . 2 2 44 44 GLU H H 1 9.397 0.020 . 1 . . . . 43 GLU H . 26933 2 151 . 2 2 44 44 GLU C C 13 175.840 0.300 . 1 . . . . 43 GLU C . 26933 2 152 . 2 2 44 44 GLU CA C 13 57.022 0.300 . 1 . . . . 43 GLU CA . 26933 2 153 . 2 2 44 44 GLU CB C 13 27.347 0.300 . 1 . . . . 43 GLU CB . 26933 2 154 . 2 2 44 44 GLU N N 15 125.005 0.300 . 1 . . . . 43 GLU N . 26933 2 155 . 2 2 45 45 GLY H H 1 9.258 0.020 . 1 . . . . 44 GLY H . 26933 2 156 . 2 2 45 45 GLY C C 13 172.858 0.300 . 1 . . . . 44 GLY C . 26933 2 157 . 2 2 45 45 GLY CA C 13 44.959 0.300 . 1 . . . . 44 GLY CA . 26933 2 158 . 2 2 45 45 GLY N N 15 104.188 0.300 . 1 . . . . 44 GLY N . 26933 2 159 . 2 2 46 46 VAL H H 1 7.592 0.020 . 1 . . . . 45 VAL H . 26933 2 160 . 2 2 46 46 VAL C C 13 174.967 0.300 . 1 . . . . 45 VAL C . 26933 2 161 . 2 2 46 46 VAL CA C 13 60.307 0.300 . 1 . . . . 45 VAL CA . 26933 2 162 . 2 2 46 46 VAL CB C 13 34.157 0.300 . 1 . . . . 45 VAL CB . 26933 2 163 . 2 2 46 46 VAL N N 15 120.224 0.300 . 1 . . . . 45 VAL N . 26933 2 164 . 2 2 47 47 PHE H H 1 7.922 0.020 . 1 . . . . 46 PHE H . 26933 2 165 . 2 2 47 47 PHE CA C 13 56.801 0.300 . 1 . . . . 46 PHE CA . 26933 2 166 . 2 2 47 47 PHE CB C 13 40.287 0.300 . 1 . . . . 46 PHE CB . 26933 2 167 . 2 2 47 47 PHE N N 15 125.582 0.300 . 1 . . . . 46 PHE N . 26933 2 168 . 2 2 50 50 MET C C 13 177.846 0.300 . 1 . . . . 49 MET C . 26933 2 169 . 2 2 50 50 MET CA C 13 53.781 0.300 . 1 . . . . 49 MET CA . 26933 2 170 . 2 2 50 50 MET CB C 13 32.223 0.300 . 1 . . . . 49 MET CB . 26933 2 171 . 2 2 51 51 TRP H H 1 7.381 0.020 . 1 . . . . 50 TRP H . 26933 2 172 . 2 2 51 51 TRP C C 13 179.286 0.300 . 1 . . . . 50 TRP C . 26933 2 173 . 2 2 51 51 TRP CA C 13 60.668 0.300 . 1 . . . . 50 TRP CA . 26933 2 174 . 2 2 51 51 TRP CB C 13 26.963 0.300 . 1 . . . . 50 TRP CB . 26933 2 175 . 2 2 51 51 TRP N N 15 125.201 0.300 . 1 . . . . 50 TRP N . 26933 2 176 . 2 2 52 52 HIS H H 1 10.450 0.020 . 1 . . . . 51 HIS H . 26933 2 177 . 2 2 52 52 HIS C C 13 175.728 0.300 . 1 . . . . 51 HIS C . 26933 2 178 . 2 2 52 52 HIS CA C 13 59.122 0.300 . 1 . . . . 51 HIS CA . 26933 2 179 . 2 2 52 52 HIS CB C 13 26.105 0.300 . 1 . . . . 51 HIS CB . 26933 2 180 . 2 2 52 52 HIS N N 15 114.128 0.300 . 1 . . . . 51 HIS N . 26933 2 181 . 2 2 53 53 VAL H H 1 6.909 0.020 . 1 . . . . 52 VAL H . 26933 2 182 . 2 2 53 53 VAL C C 13 175.541 0.300 . 1 . . . . 52 VAL C . 26933 2 183 . 2 2 53 53 VAL CA C 13 64.892 0.300 . 1 . . . . 52 VAL CA . 26933 2 184 . 2 2 53 53 VAL CB C 13 30.646 0.300 . 1 . . . . 52 VAL CB . 26933 2 185 . 2 2 53 53 VAL N N 15 119.194 0.300 . 1 . . . . 52 VAL N . 26933 2 186 . 2 2 54 54 THR H H 1 6.396 0.020 . 1 . . . . 53 THR H . 26933 2 187 . 2 2 54 54 THR C C 13 175.885 0.300 . 1 . . . . 53 THR C . 26933 2 188 . 2 2 54 54 THR CA C 13 59.917 0.300 . 1 . . . . 53 THR CA . 26933 2 189 . 2 2 54 54 THR CB C 13 70.022 0.300 . 1 . . . . 53 THR CB . 26933 2 190 . 2 2 54 54 THR N N 15 101.347 0.300 . 1 . . . . 53 THR N . 26933 2 191 . 2 2 55 55 LYS H H 1 9.252 0.020 . 1 . . . . 54 LYS H . 26933 2 192 . 2 2 55 55 LYS C C 13 175.773 0.300 . 1 . . . . 54 LYS C . 26933 2 193 . 2 2 55 55 LYS CA C 13 55.557 0.300 . 1 . . . . 54 LYS CA . 26933 2 194 . 2 2 55 55 LYS CB C 13 28.500 0.300 . 1 . . . . 54 LYS CB . 26933 2 195 . 2 2 55 55 LYS N N 15 122.189 0.300 . 1 . . . . 54 LYS N . 26933 2 196 . 2 2 56 56 GLY H H 1 6.994 0.020 . 1 . . . . 55 GLY H . 26933 2 197 . 2 2 56 56 GLY C C 13 173.008 0.300 . 1 . . . . 55 GLY C . 26933 2 198 . 2 2 56 56 GLY CA C 13 44.706 0.300 . 1 . . . . 55 GLY CA . 26933 2 199 . 2 2 56 56 GLY N N 15 101.206 0.300 . 1 . . . . 55 GLY N . 26933 2 200 . 2 2 57 57 ALA H H 1 7.315 0.020 . 1 . . . . 56 ALA H . 26933 2 201 . 2 2 57 57 ALA C C 13 177.731 0.300 . 1 . . . . 56 ALA C . 26933 2 202 . 2 2 57 57 ALA CA C 13 51.564 0.300 . 1 . . . . 56 ALA CA . 26933 2 203 . 2 2 57 57 ALA CB C 13 18.781 0.300 . 1 . . . . 56 ALA CB . 26933 2 204 . 2 2 57 57 ALA N N 15 121.184 0.300 . 1 . . . . 56 ALA N . 26933 2 205 . 2 2 58 58 ALA H H 1 8.589 0.020 . 1 . . . . 57 ALA H . 26933 2 206 . 2 2 58 58 ALA C C 13 175.698 0.300 . 1 . . . . 57 ALA C . 26933 2 207 . 2 2 58 58 ALA CA C 13 52.694 0.300 . 1 . . . . 57 ALA CA . 26933 2 208 . 2 2 58 58 ALA CB C 13 18.142 0.300 . 1 . . . . 57 ALA CB . 26933 2 209 . 2 2 58 58 ALA N N 15 123.033 0.300 . 1 . . . . 57 ALA N . 26933 2 210 . 2 2 59 59 LEU H H 1 8.158 0.020 . 1 . . . . 58 LEU H . 26933 2 211 . 2 2 59 59 LEU C C 13 176.261 0.300 . 1 . . . . 58 LEU C . 26933 2 212 . 2 2 59 59 LEU CA C 13 51.740 0.300 . 1 . . . . 58 LEU CA . 26933 2 213 . 2 2 59 59 LEU CB C 13 45.152 0.300 . 1 . . . . 58 LEU CB . 26933 2 214 . 2 2 59 59 LEU N N 15 116.224 0.300 . 1 . . . . 58 LEU N . 26933 2 215 . 2 2 60 60 ARG H H 1 8.658 0.020 . 1 . . . . 59 ARG H . 26933 2 216 . 2 2 60 60 ARG C C 13 175.308 0.300 . 1 . . . . 59 ARG C . 26933 2 217 . 2 2 60 60 ARG CA C 13 55.163 0.300 . 1 . . . . 59 ARG CA . 26933 2 218 . 2 2 60 60 ARG CB C 13 29.880 0.300 . 1 . . . . 59 ARG CB . 26933 2 219 . 2 2 60 60 ARG N N 15 121.981 0.300 . 1 . . . . 59 ARG N . 26933 2 220 . 2 2 61 61 SER H H 1 7.982 0.020 . 1 . . . . 60 SER H . 26933 2 221 . 2 2 61 61 SER C C 13 175.382 0.300 . 1 . . . . 60 SER C . 26933 2 222 . 2 2 61 61 SER CA C 13 55.297 0.300 . 1 . . . . 60 SER CA . 26933 2 223 . 2 2 61 61 SER CB C 13 62.507 0.300 . 1 . . . . 60 SER CB . 26933 2 224 . 2 2 61 61 SER N N 15 116.760 0.300 . 1 . . . . 60 SER N . 26933 2 225 . 2 2 62 62 GLY H H 1 9.400 0.020 . 1 . . . . 61 GLY H . 26933 2 226 . 2 2 62 62 GLY C C 13 175.008 0.300 . 1 . . . . 61 GLY C . 26933 2 227 . 2 2 62 62 GLY CA C 13 46.539 0.300 . 1 . . . . 61 GLY CA . 26933 2 228 . 2 2 62 62 GLY N N 15 118.405 0.300 . 1 . . . . 61 GLY N . 26933 2 229 . 2 2 63 63 GLU H H 1 9.055 0.020 . 1 . . . . 62 GLU H . 26933 2 230 . 2 2 63 63 GLU C C 13 176.617 0.300 . 1 . . . . 62 GLU C . 26933 2 231 . 2 2 63 63 GLU CA C 13 55.893 0.300 . 1 . . . . 62 GLU CA . 26933 2 232 . 2 2 63 63 GLU CB C 13 29.168 0.300 . 1 . . . . 62 GLU CB . 26933 2 233 . 2 2 63 63 GLU N N 15 125.480 0.300 . 1 . . . . 62 GLU N . 26933 2 234 . 2 2 64 64 GLY H H 1 7.911 0.020 . 1 . . . . 63 GLY H . 26933 2 235 . 2 2 64 64 GLY C C 13 172.147 0.300 . 1 . . . . 63 GLY C . 26933 2 236 . 2 2 64 64 GLY CA C 13 43.922 0.300 . 1 . . . . 63 GLY CA . 26933 2 237 . 2 2 64 64 GLY N N 15 107.289 0.300 . 1 . . . . 63 GLY N . 26933 2 238 . 2 2 65 65 ARG H H 1 8.494 0.020 . 1 . . . . 64 ARG H . 26933 2 239 . 2 2 65 65 ARG C C 13 174.849 0.300 . 1 . . . . 64 ARG C . 26933 2 240 . 2 2 65 65 ARG CA C 13 54.592 0.300 . 1 . . . . 64 ARG CA . 26933 2 241 . 2 2 65 65 ARG CB C 13 32.517 0.300 . 1 . . . . 64 ARG CB . 26933 2 242 . 2 2 65 65 ARG N N 15 121.337 0.300 . 1 . . . . 64 ARG N . 26933 2 243 . 2 2 66 66 LEU H H 1 9.650 0.020 . 1 . . . . 65 LEU H . 26933 2 244 . 2 2 66 66 LEU C C 13 174.959 0.300 . 1 . . . . 65 LEU C . 26933 2 245 . 2 2 66 66 LEU CA C 13 53.168 0.300 . 1 . . . . 65 LEU CA . 26933 2 246 . 2 2 66 66 LEU CB C 13 41.065 0.300 . 1 . . . . 65 LEU CB . 26933 2 247 . 2 2 66 66 LEU N N 15 126.246 0.300 . 1 . . . . 65 LEU N . 26933 2 248 . 2 2 67 67 ASP H H 1 8.699 0.020 . 1 . . . . 66 ASP H . 26933 2 249 . 2 2 67 67 ASP CA C 13 51.727 0.300 . 1 . . . . 66 ASP CA . 26933 2 250 . 2 2 67 67 ASP CB C 13 40.974 0.300 . 1 . . . . 66 ASP CB . 26933 2 251 . 2 2 67 67 ASP N N 15 123.368 0.300 . 1 . . . . 66 ASP N . 26933 2 252 . 2 2 68 68 PRO C C 13 174.999 0.300 . 1 . . . . 67 PRO C . 26933 2 253 . 2 2 68 68 PRO CA C 13 62.653 0.300 . 1 . . . . 67 PRO CA . 26933 2 254 . 2 2 68 68 PRO CB C 13 29.940 0.300 . 1 . . . . 67 PRO CB . 26933 2 255 . 2 2 69 69 TYR H H 1 9.650 0.020 . 1 . . . . 68 TYR H . 26933 2 256 . 2 2 69 69 TYR C C 13 174.569 0.300 . 1 . . . . 68 TYR C . 26933 2 257 . 2 2 69 69 TYR CA C 13 58.624 0.300 . 1 . . . . 68 TYR CA . 26933 2 258 . 2 2 69 69 TYR CB C 13 41.814 0.300 . 1 . . . . 68 TYR CB . 26933 2 259 . 2 2 69 69 TYR N N 15 125.234 0.300 . 1 . . . . 68 TYR N . 26933 2 260 . 2 2 70 70 TRP H H 1 8.062 0.020 . 1 . . . . 69 TRP H . 26933 2 261 . 2 2 70 70 TRP C C 13 172.984 0.300 . 1 . . . . 69 TRP C . 26933 2 262 . 2 2 70 70 TRP CA C 13 56.399 0.300 . 1 . . . . 69 TRP CA . 26933 2 263 . 2 2 70 70 TRP CB C 13 30.561 0.300 . 1 . . . . 69 TRP CB . 26933 2 264 . 2 2 70 70 TRP N N 15 121.225 0.300 . 1 . . . . 69 TRP N . 26933 2 265 . 2 2 71 71 GLY H H 1 6.978 0.020 . 1 . . . . 70 GLY H . 26933 2 266 . 2 2 71 71 GLY C C 13 170.415 0.300 . 1 . . . . 70 GLY C . 26933 2 267 . 2 2 71 71 GLY CA C 13 45.127 0.300 . 1 . . . . 70 GLY CA . 26933 2 268 . 2 2 71 71 GLY N N 15 111.599 0.300 . 1 . . . . 70 GLY N . 26933 2 269 . 2 2 72 72 ASP H H 1 7.894 0.020 . 1 . . . . 71 ASP H . 26933 2 270 . 2 2 72 72 ASP C C 13 175.610 0.300 . 1 . . . . 71 ASP C . 26933 2 271 . 2 2 72 72 ASP CA C 13 52.894 0.300 . 1 . . . . 71 ASP CA . 26933 2 272 . 2 2 72 72 ASP CB C 13 43.980 0.300 . 1 . . . . 71 ASP CB . 26933 2 273 . 2 2 72 72 ASP N N 15 117.965 0.300 . 1 . . . . 71 ASP N . 26933 2 274 . 2 2 73 73 VAL H H 1 8.074 0.020 . 1 . . . . 72 VAL H . 26933 2 275 . 2 2 73 73 VAL C C 13 176.284 0.300 . 1 . . . . 72 VAL C . 26933 2 276 . 2 2 73 73 VAL CA C 13 64.943 0.300 . 1 . . . . 72 VAL CA . 26933 2 277 . 2 2 73 73 VAL CB C 13 31.066 0.300 . 1 . . . . 72 VAL CB . 26933 2 278 . 2 2 73 73 VAL N N 15 126.201 0.300 . 1 . . . . 72 VAL N . 26933 2 279 . 2 2 74 74 LYS H H 1 7.552 0.020 . 1 . . . . 73 LYS H . 26933 2 280 . 2 2 74 74 LYS C C 13 176.461 0.300 . 1 . . . . 73 LYS C . 26933 2 281 . 2 2 74 74 LYS CA C 13 58.751 0.300 . 1 . . . . 73 LYS CA . 26933 2 282 . 2 2 74 74 LYS CB C 13 31.126 0.300 . 1 . . . . 73 LYS CB . 26933 2 283 . 2 2 74 74 LYS N N 15 120.797 0.300 . 1 . . . . 73 LYS N . 26933 2 284 . 2 2 75 75 GLN H H 1 7.573 0.020 . 1 . . . . 74 GLN H . 26933 2 285 . 2 2 75 75 GLN C C 13 176.125 0.300 . 1 . . . . 74 GLN C . 26933 2 286 . 2 2 75 75 GLN CA C 13 56.415 0.300 . 1 . . . . 74 GLN CA . 26933 2 287 . 2 2 75 75 GLN CB C 13 28.946 0.300 . 1 . . . . 74 GLN CB . 26933 2 288 . 2 2 75 75 GLN N N 15 111.891 0.300 . 1 . . . . 74 GLN N . 26933 2 289 . 2 2 76 76 ASP H H 1 7.876 0.020 . 1 . . . . 75 ASP H . 26933 2 290 . 2 2 76 76 ASP C C 13 175.182 0.300 . 1 . . . . 75 ASP C . 26933 2 291 . 2 2 76 76 ASP CA C 13 54.345 0.300 . 1 . . . . 75 ASP CA . 26933 2 292 . 2 2 76 76 ASP CB C 13 39.185 0.300 . 1 . . . . 75 ASP CB . 26933 2 293 . 2 2 76 76 ASP N N 15 117.241 0.300 . 1 . . . . 75 ASP N . 26933 2 294 . 2 2 77 77 LEU H H 1 7.602 0.020 . 1 . . . . 76 LEU H . 26933 2 295 . 2 2 77 77 LEU CA C 13 53.340 0.300 . 1 . . . . 76 LEU CA . 26933 2 296 . 2 2 77 77 LEU CB C 13 48.532 0.300 . 1 . . . . 76 LEU CB . 26933 2 297 . 2 2 77 77 LEU N N 15 115.410 0.300 . 1 . . . . 76 LEU N . 26933 2 298 . 2 2 78 78 VAL C C 13 171.700 0.300 . 1 . . . . 77 VAL C . 26933 2 299 . 2 2 78 78 VAL CA C 13 59.817 0.300 . 1 . . . . 77 VAL CA . 26933 2 300 . 2 2 78 78 VAL CB C 13 35.166 0.300 . 1 . . . . 77 VAL CB . 26933 2 301 . 2 2 79 79 SER H H 1 10.179 0.020 . 1 . . . . 78 SER H . 26933 2 302 . 2 2 79 79 SER CA C 13 56.536 0.300 . 1 . . . . 78 SER CA . 26933 2 303 . 2 2 79 79 SER N N 15 120.968 0.300 . 1 . . . . 78 SER N . 26933 2 304 . 2 2 80 80 TYR C C 13 176.456 0.300 . 1 . . . . 79 TYR C . 26933 2 305 . 2 2 80 80 TYR CA C 13 57.219 0.300 . 1 . . . . 79 TYR CA . 26933 2 306 . 2 2 80 80 TYR CB C 13 40.787 0.300 . 1 . . . . 79 TYR CB . 26933 2 307 . 2 2 81 81 CYS H H 1 8.213 0.020 . 1 . . . . 80 CYS H . 26933 2 308 . 2 2 81 81 CYS C C 13 173.305 0.300 . 1 . . . . 80 CYS C . 26933 2 309 . 2 2 81 81 CYS CA C 13 61.322 0.300 . 1 . . . . 80 CYS CA . 26933 2 310 . 2 2 81 81 CYS CB C 13 26.495 0.300 . 1 . . . . 80 CYS CB . 26933 2 311 . 2 2 81 81 CYS N N 15 110.925 0.300 . 1 . . . . 80 CYS N . 26933 2 312 . 2 2 82 82 GLY H H 1 7.244 0.020 . 1 . . . . 81 GLY H . 26933 2 313 . 2 2 82 82 GLY C C 13 167.915 0.300 . 1 . . . . 81 GLY C . 26933 2 314 . 2 2 82 82 GLY CA C 13 43.954 0.300 . 1 . . . . 81 GLY CA . 26933 2 315 . 2 2 82 82 GLY N N 15 107.379 0.300 . 1 . . . . 81 GLY N . 26933 2 316 . 2 2 83 83 PRO C C 13 172.683 0.300 . 1 . . . . 82 PRO C . 26933 2 317 . 2 2 83 83 PRO CA C 13 61.597 0.300 . 1 . . . . 82 PRO CA . 26933 2 318 . 2 2 83 83 PRO CB C 13 31.860 0.300 . 1 . . . . 82 PRO CB . 26933 2 319 . 2 2 84 84 TRP H H 1 7.842 0.020 . 1 . . . . 83 TRP H . 26933 2 320 . 2 2 84 84 TRP C C 13 177.880 0.300 . 1 . . . . 83 TRP C . 26933 2 321 . 2 2 84 84 TRP CA C 13 59.142 0.300 . 1 . . . . 83 TRP CA . 26933 2 322 . 2 2 84 84 TRP CB C 13 28.629 0.300 . 1 . . . . 83 TRP CB . 26933 2 323 . 2 2 84 84 TRP N N 15 117.454 0.300 . 1 . . . . 83 TRP N . 26933 2 324 . 2 2 85 85 LYS H H 1 10.823 0.020 . 1 . . . . 84 LYS H . 26933 2 325 . 2 2 85 85 LYS C C 13 177.219 0.300 . 1 . . . . 84 LYS C . 26933 2 326 . 2 2 85 85 LYS CA C 13 54.214 0.300 . 1 . . . . 84 LYS CA . 26933 2 327 . 2 2 85 85 LYS CB C 13 33.495 0.300 . 1 . . . . 84 LYS CB . 26933 2 328 . 2 2 85 85 LYS N N 15 127.427 0.300 . 1 . . . . 84 LYS N . 26933 2 329 . 2 2 86 86 LEU H H 1 5.664 0.020 . 1 . . . . 85 LEU H . 26933 2 330 . 2 2 86 86 LEU C C 13 175.107 0.300 . 1 . . . . 85 LEU C . 26933 2 331 . 2 2 86 86 LEU CA C 13 54.679 0.300 . 1 . . . . 85 LEU CA . 26933 2 332 . 2 2 86 86 LEU CB C 13 38.445 0.300 . 1 . . . . 85 LEU CB . 26933 2 333 . 2 2 86 86 LEU N N 15 117.895 0.300 . 1 . . . . 85 LEU N . 26933 2 334 . 2 2 87 87 ASP H H 1 8.243 0.020 . 1 . . . . 86 ASP H . 26933 2 335 . 2 2 87 87 ASP C C 13 176.477 0.300 . 1 . . . . 86 ASP C . 26933 2 336 . 2 2 87 87 ASP CA C 13 52.796 0.300 . 1 . . . . 86 ASP CA . 26933 2 337 . 2 2 87 87 ASP CB C 13 41.885 0.300 . 1 . . . . 86 ASP CB . 26933 2 338 . 2 2 87 87 ASP N N 15 121.321 0.300 . 1 . . . . 86 ASP N . 26933 2 339 . 2 2 88 88 ALA H H 1 8.362 0.020 . 1 . . . . 87 ALA H . 26933 2 340 . 2 2 88 88 ALA C C 13 175.097 0.300 . 1 . . . . 87 ALA C . 26933 2 341 . 2 2 88 88 ALA CA C 13 52.514 0.300 . 1 . . . . 87 ALA CA . 26933 2 342 . 2 2 88 88 ALA CB C 13 18.938 0.300 . 1 . . . . 87 ALA CB . 26933 2 343 . 2 2 88 88 ALA N N 15 126.093 0.300 . 1 . . . . 87 ALA N . 26933 2 344 . 2 2 89 89 ALA H H 1 8.264 0.020 . 1 . . . . 88 ALA H . 26933 2 345 . 2 2 89 89 ALA C C 13 178.740 0.300 . 1 . . . . 88 ALA C . 26933 2 346 . 2 2 89 89 ALA CA C 13 49.167 0.300 . 1 . . . . 88 ALA CA . 26933 2 347 . 2 2 89 89 ALA CB C 13 21.938 0.300 . 1 . . . . 88 ALA CB . 26933 2 348 . 2 2 89 89 ALA N N 15 120.430 0.300 . 1 . . . . 88 ALA N . 26933 2 349 . 2 2 90 90 TRP H H 1 9.353 0.020 . 1 . . . . 89 TRP H . 26933 2 350 . 2 2 90 90 TRP C C 13 177.016 0.300 . 1 . . . . 89 TRP C . 26933 2 351 . 2 2 90 90 TRP CA C 13 56.608 0.300 . 1 . . . . 89 TRP CA . 26933 2 352 . 2 2 90 90 TRP CB C 13 27.533 0.300 . 1 . . . . 89 TRP CB . 26933 2 353 . 2 2 90 90 TRP N N 15 123.502 0.300 . 1 . . . . 89 TRP N . 26933 2 354 . 2 2 91 91 ASP H H 1 8.708 0.020 . 1 . . . . 90 ASP H . 26933 2 355 . 2 2 91 91 ASP CA C 13 53.930 0.300 . 1 . . . . 90 ASP CA . 26933 2 356 . 2 2 91 91 ASP CB C 13 39.237 0.300 . 1 . . . . 90 ASP CB . 26933 2 357 . 2 2 91 91 ASP N N 15 130.109 0.300 . 1 . . . . 90 ASP N . 26933 2 358 . 2 2 92 92 GLY C C 13 173.382 0.300 . 1 . . . . 91 GLY C . 26933 2 359 . 2 2 92 92 GLY CA C 13 43.819 0.300 . 1 . . . . 91 GLY CA . 26933 2 360 . 2 2 93 93 LEU H H 1 7.934 0.020 . 1 . . . . 92 LEU H . 26933 2 361 . 2 2 93 93 LEU C C 13 177.132 0.300 . 1 . . . . 92 LEU C . 26933 2 362 . 2 2 93 93 LEU CA C 13 55.451 0.300 . 1 . . . . 92 LEU CA . 26933 2 363 . 2 2 93 93 LEU CB C 13 46.152 0.300 . 1 . . . . 92 LEU CB . 26933 2 364 . 2 2 93 93 LEU N N 15 119.042 0.300 . 1 . . . . 92 LEU N . 26933 2 365 . 2 2 94 94 SER H H 1 9.891 0.020 . 1 . . . . 93 SER H . 26933 2 366 . 2 2 94 94 SER C C 13 174.554 0.300 . 1 . . . . 93 SER C . 26933 2 367 . 2 2 94 94 SER CA C 13 59.079 0.300 . 1 . . . . 93 SER CA . 26933 2 368 . 2 2 94 94 SER CB C 13 64.161 0.300 . 1 . . . . 93 SER CB . 26933 2 369 . 2 2 94 94 SER N N 15 117.662 0.300 . 1 . . . . 93 SER N . 26933 2 370 . 2 2 95 95 GLU H H 1 8.811 0.020 . 1 . . . . 94 GLU H . 26933 2 371 . 2 2 95 95 GLU C C 13 175.585 0.300 . 1 . . . . 94 GLU C . 26933 2 372 . 2 2 95 95 GLU CA C 13 57.371 0.300 . 1 . . . . 94 GLU CA . 26933 2 373 . 2 2 95 95 GLU CB C 13 30.199 0.300 . 1 . . . . 94 GLU CB . 26933 2 374 . 2 2 95 95 GLU N N 15 118.883 0.300 . 1 . . . . 94 GLU N . 26933 2 375 . 2 2 96 96 VAL H H 1 8.973 0.020 . 1 . . . . 95 VAL H . 26933 2 376 . 2 2 96 96 VAL C C 13 174.858 0.300 . 1 . . . . 95 VAL C . 26933 2 377 . 2 2 96 96 VAL CA C 13 58.180 0.300 . 1 . . . . 95 VAL CA . 26933 2 378 . 2 2 96 96 VAL CB C 13 33.906 0.300 . 1 . . . . 95 VAL CB . 26933 2 379 . 2 2 96 96 VAL N N 15 111.544 0.300 . 1 . . . . 95 VAL N . 26933 2 380 . 2 2 97 97 GLN H H 1 8.735 0.020 . 1 . . . . 96 GLN H . 26933 2 381 . 2 2 97 97 GLN C C 13 175.433 0.300 . 1 . . . . 96 GLN C . 26933 2 382 . 2 2 97 97 GLN CA C 13 53.090 0.300 . 1 . . . . 96 GLN CA . 26933 2 383 . 2 2 97 97 GLN CB C 13 29.821 0.300 . 1 . . . . 96 GLN CB . 26933 2 384 . 2 2 97 97 GLN N N 15 115.144 0.300 . 1 . . . . 96 GLN N . 26933 2 385 . 2 2 98 98 LEU H H 1 9.157 0.020 . 1 . . . . 97 LEU H . 26933 2 386 . 2 2 98 98 LEU C C 13 173.666 0.300 . 1 . . . . 97 LEU C . 26933 2 387 . 2 2 98 98 LEU CA C 13 53.056 0.300 . 1 . . . . 97 LEU CA . 26933 2 388 . 2 2 98 98 LEU CB C 13 43.551 0.300 . 1 . . . . 97 LEU CB . 26933 2 389 . 2 2 98 98 LEU N N 15 123.741 0.300 . 1 . . . . 97 LEU N . 26933 2 390 . 2 2 99 99 LEU H H 1 8.740 0.020 . 1 . . . . 98 LEU H . 26933 2 391 . 2 2 99 99 LEU C C 13 173.742 0.300 . 1 . . . . 98 LEU C . 26933 2 392 . 2 2 99 99 LEU CA C 13 52.931 0.300 . 1 . . . . 98 LEU CA . 26933 2 393 . 2 2 99 99 LEU CB C 13 39.833 0.300 . 1 . . . . 98 LEU CB . 26933 2 394 . 2 2 99 99 LEU N N 15 133.334 0.300 . 1 . . . . 98 LEU N . 26933 2 395 . 2 2 100 100 ALA H H 1 7.955 0.020 . 1 . . . . 99 ALA H . 26933 2 396 . 2 2 100 100 ALA C C 13 177.486 0.300 . 1 . . . . 99 ALA C . 26933 2 397 . 2 2 100 100 ALA CA C 13 51.033 0.300 . 1 . . . . 99 ALA CA . 26933 2 398 . 2 2 100 100 ALA CB C 13 17.449 0.300 . 1 . . . . 99 ALA CB . 26933 2 399 . 2 2 100 100 ALA N N 15 122.117 0.300 . 1 . . . . 99 ALA N . 26933 2 400 . 2 2 101 101 VAL H H 1 6.671 0.020 . 1 . . . . 100 VAL H . 26933 2 401 . 2 2 101 101 VAL CA C 13 58.387 0.300 . 1 . . . . 100 VAL CA . 26933 2 402 . 2 2 101 101 VAL CB C 13 29.842 0.300 . 1 . . . . 100 VAL CB . 26933 2 403 . 2 2 101 101 VAL N N 15 120.674 0.300 . 1 . . . . 100 VAL N . 26933 2 404 . 2 2 103 103 PRO C C 13 178.388 0.300 . 1 . . . . 102 PRO C . 26933 2 405 . 2 2 103 103 PRO CA C 13 62.484 0.300 . 1 . . . . 102 PRO CA . 26933 2 406 . 2 2 103 103 PRO CB C 13 30.861 0.300 . 1 . . . . 102 PRO CB . 26933 2 407 . 2 2 104 104 GLY H H 1 8.932 0.020 . 1 . . . . 103 GLY H . 26933 2 408 . 2 2 104 104 GLY C C 13 173.158 0.300 . 1 . . . . 103 GLY C . 26933 2 409 . 2 2 104 104 GLY CA C 13 45.551 0.300 . 1 . . . . 103 GLY CA . 26933 2 410 . 2 2 104 104 GLY N N 15 111.533 0.300 . 1 . . . . 103 GLY N . 26933 2 411 . 2 2 105 105 GLU H H 1 7.621 0.020 . 1 . . . . 104 GLU H . 26933 2 412 . 2 2 105 105 GLU C C 13 175.326 0.300 . 1 . . . . 104 GLU C . 26933 2 413 . 2 2 105 105 GLU CA C 13 53.473 0.300 . 1 . . . . 104 GLU CA . 26933 2 414 . 2 2 105 105 GLU CB C 13 33.129 0.300 . 1 . . . . 104 GLU CB . 26933 2 415 . 2 2 105 105 GLU N N 15 117.979 0.300 . 1 . . . . 104 GLU N . 26933 2 416 . 2 2 106 106 ARG H H 1 8.369 0.020 . 1 . . . . 105 ARG H . 26933 2 417 . 2 2 106 106 ARG C C 13 175.041 0.300 . 1 . . . . 105 ARG C . 26933 2 418 . 2 2 106 106 ARG CA C 13 55.334 0.300 . 1 . . . . 105 ARG CA . 26933 2 419 . 2 2 106 106 ARG CB C 13 29.738 0.300 . 1 . . . . 105 ARG CB . 26933 2 420 . 2 2 106 106 ARG N N 15 119.580 0.300 . 1 . . . . 105 ARG N . 26933 2 421 . 2 2 107 107 ALA H H 1 8.182 0.020 . 1 . . . . 106 ALA H . 26933 2 422 . 2 2 107 107 ALA C C 13 177.349 0.300 . 1 . . . . 106 ALA C . 26933 2 423 . 2 2 107 107 ALA CA C 13 51.579 0.300 . 1 . . . . 106 ALA CA . 26933 2 424 . 2 2 107 107 ALA CB C 13 18.335 0.300 . 1 . . . . 106 ALA CB . 26933 2 425 . 2 2 107 107 ALA N N 15 121.973 0.300 . 1 . . . . 106 ALA N . 26933 2 426 . 2 2 108 108 LYS H H 1 8.819 0.020 . 1 . . . . 107 LYS H . 26933 2 427 . 2 2 108 108 LYS C C 13 172.835 0.300 . 1 . . . . 107 LYS C . 26933 2 428 . 2 2 108 108 LYS CA C 13 54.732 0.300 . 1 . . . . 107 LYS CA . 26933 2 429 . 2 2 108 108 LYS CB C 13 35.058 0.300 . 1 . . . . 107 LYS CB . 26933 2 430 . 2 2 108 108 LYS N N 15 122.094 0.300 . 1 . . . . 107 LYS N . 26933 2 431 . 2 2 109 109 ASN H H 1 8.365 0.020 . 1 . . . . 108 ASN H . 26933 2 432 . 2 2 109 109 ASN C C 13 174.183 0.300 . 1 . . . . 108 ASN C . 26933 2 433 . 2 2 109 109 ASN CA C 13 52.552 0.300 . 1 . . . . 108 ASN CA . 26933 2 434 . 2 2 109 109 ASN CB C 13 38.597 0.300 . 1 . . . . 108 ASN CB . 26933 2 435 . 2 2 109 109 ASN N N 15 121.724 0.300 . 1 . . . . 108 ASN N . 26933 2 436 . 2 2 110 110 ILE H H 1 8.986 0.020 . 1 . . . . 109 ILE H . 26933 2 437 . 2 2 110 110 ILE C C 13 173.900 0.300 . 1 . . . . 109 ILE C . 26933 2 438 . 2 2 110 110 ILE CA C 13 59.294 0.300 . 1 . . . . 109 ILE CA . 26933 2 439 . 2 2 110 110 ILE CB C 13 39.761 0.300 . 1 . . . . 109 ILE CB . 26933 2 440 . 2 2 110 110 ILE N N 15 122.356 0.300 . 1 . . . . 109 ILE N . 26933 2 441 . 2 2 111 111 GLN H H 1 9.192 0.020 . 1 . . . . 110 GLN H . 26933 2 442 . 2 2 111 111 GLN C C 13 173.317 0.300 . 1 . . . . 110 GLN C . 26933 2 443 . 2 2 111 111 GLN CA C 13 54.106 0.300 . 1 . . . . 110 GLN CA . 26933 2 444 . 2 2 111 111 GLN CB C 13 30.016 0.300 . 1 . . . . 110 GLN CB . 26933 2 445 . 2 2 111 111 GLN N N 15 129.259 0.300 . 1 . . . . 110 GLN N . 26933 2 446 . 2 2 112 112 THR H H 1 8.825 0.020 . 1 . . . . 111 THR H . 26933 2 447 . 2 2 112 112 THR C C 13 170.712 0.300 . 1 . . . . 111 THR C . 26933 2 448 . 2 2 112 112 THR CA C 13 60.489 0.300 . 1 . . . . 111 THR CA . 26933 2 449 . 2 2 112 112 THR CB C 13 69.494 0.300 . 1 . . . . 111 THR CB . 26933 2 450 . 2 2 112 112 THR N N 15 116.870 0.300 . 1 . . . . 111 THR N . 26933 2 451 . 2 2 113 113 LEU H H 1 8.153 0.020 . 1 . . . . 112 LEU H . 26933 2 452 . 2 2 113 113 LEU CA C 13 50.854 0.300 . 1 . . . . 112 LEU CA . 26933 2 453 . 2 2 113 113 LEU CB C 13 41.605 0.300 . 1 . . . . 112 LEU CB . 26933 2 454 . 2 2 113 113 LEU N N 15 128.796 0.300 . 1 . . . . 112 LEU N . 26933 2 455 . 2 2 114 114 PRO C C 13 177.534 0.300 . 1 . . . . 113 PRO C . 26933 2 456 . 2 2 114 114 PRO CA C 13 62.891 0.300 . 1 . . . . 113 PRO CA . 26933 2 457 . 2 2 114 114 PRO CB C 13 30.347 0.300 . 1 . . . . 113 PRO CB . 26933 2 458 . 2 2 115 115 GLY H H 1 8.419 0.020 . 1 . . . . 114 GLY H . 26933 2 459 . 2 2 115 115 GLY C C 13 172.642 0.300 . 1 . . . . 114 GLY C . 26933 2 460 . 2 2 115 115 GLY CA C 13 42.882 0.300 . 1 . . . . 114 GLY CA . 26933 2 461 . 2 2 115 115 GLY N N 15 106.373 0.300 . 1 . . . . 114 GLY N . 26933 2 462 . 2 2 116 116 ILE H H 1 8.494 0.020 . 1 . . . . 115 ILE H . 26933 2 463 . 2 2 116 116 ILE C C 13 175.629 0.300 . 1 . . . . 115 ILE C . 26933 2 464 . 2 2 116 116 ILE CA C 13 58.868 0.300 . 1 . . . . 115 ILE CA . 26933 2 465 . 2 2 116 116 ILE CB C 13 42.913 0.300 . 1 . . . . 115 ILE CB . 26933 2 466 . 2 2 116 116 ILE N N 15 115.387 0.300 . 1 . . . . 115 ILE N . 26933 2 467 . 2 2 117 117 PHE H H 1 9.516 0.020 . 1 . . . . 116 PHE H . 26933 2 468 . 2 2 117 117 PHE C C 13 174.762 0.300 . 1 . . . . 116 PHE C . 26933 2 469 . 2 2 117 117 PHE CA C 13 51.795 0.300 . 1 . . . . 116 PHE CA . 26933 2 470 . 2 2 117 117 PHE CB C 13 37.687 0.300 . 1 . . . . 116 PHE CB . 26933 2 471 . 2 2 117 117 PHE N N 15 123.002 0.300 . 1 . . . . 116 PHE N . 26933 2 472 . 2 2 118 118 LYS H H 1 9.404 0.020 . 1 . . . . 117 LYS H . 26933 2 473 . 2 2 118 118 LYS C C 13 176.476 0.300 . 1 . . . . 117 LYS C . 26933 2 474 . 2 2 118 118 LYS CA C 13 55.057 0.300 . 1 . . . . 117 LYS CA . 26933 2 475 . 2 2 118 118 LYS CB C 13 30.609 0.300 . 1 . . . . 117 LYS CB . 26933 2 476 . 2 2 118 118 LYS N N 15 125.296 0.300 . 1 . . . . 117 LYS N . 26933 2 477 . 2 2 119 119 THR H H 1 7.907 0.020 . 1 . . . . 118 THR H . 26933 2 478 . 2 2 119 119 THR C C 13 176.675 0.300 . 1 . . . . 118 THR C . 26933 2 479 . 2 2 119 119 THR CA C 13 59.107 0.300 . 1 . . . . 118 THR CA . 26933 2 480 . 2 2 119 119 THR CB C 13 72.781 0.300 . 1 . . . . 118 THR CB . 26933 2 481 . 2 2 119 119 THR N N 15 115.229 0.300 . 1 . . . . 118 THR N . 26933 2 482 . 2 2 120 120 LYS H H 1 9.197 0.020 . 1 . . . . 119 LYS H . 26933 2 483 . 2 2 120 120 LYS C C 13 176.497 0.300 . 1 . . . . 119 LYS C . 26933 2 484 . 2 2 120 120 LYS CA C 13 57.817 0.300 . 1 . . . . 119 LYS CA . 26933 2 485 . 2 2 120 120 LYS CB C 13 30.696 0.300 . 1 . . . . 119 LYS CB . 26933 2 486 . 2 2 120 120 LYS N N 15 120.672 0.300 . 1 . . . . 119 LYS N . 26933 2 487 . 2 2 121 121 ASP H H 1 7.923 0.020 . 1 . . . . 120 ASP H . 26933 2 488 . 2 2 121 121 ASP C C 13 175.084 0.300 . 1 . . . . 120 ASP C . 26933 2 489 . 2 2 121 121 ASP CA C 13 53.850 0.300 . 1 . . . . 120 ASP CA . 26933 2 490 . 2 2 121 121 ASP CB C 13 41.872 0.300 . 1 . . . . 120 ASP CB . 26933 2 491 . 2 2 121 121 ASP N N 15 116.852 0.300 . 1 . . . . 120 ASP N . 26933 2 492 . 2 2 122 122 GLY H H 1 7.429 0.020 . 1 . . . . 121 GLY H . 26933 2 493 . 2 2 122 122 GLY C C 13 173.668 0.300 . 1 . . . . 121 GLY C . 26933 2 494 . 2 2 122 122 GLY CA C 13 43.792 0.300 . 1 . . . . 121 GLY CA . 26933 2 495 . 2 2 122 122 GLY N N 15 108.353 0.300 . 1 . . . . 121 GLY N . 26933 2 496 . 2 2 123 123 ASP H H 1 8.706 0.020 . 1 . . . . 122 ASP H . 26933 2 497 . 2 2 123 123 ASP C C 13 176.869 0.300 . 1 . . . . 122 ASP C . 26933 2 498 . 2 2 123 123 ASP CA C 13 53.636 0.300 . 1 . . . . 122 ASP CA . 26933 2 499 . 2 2 123 123 ASP CB C 13 40.986 0.300 . 1 . . . . 122 ASP CB . 26933 2 500 . 2 2 123 123 ASP N N 15 122.545 0.300 . 1 . . . . 122 ASP N . 26933 2 501 . 2 2 124 124 ILE H H 1 9.369 0.020 . 1 . . . . 123 ILE H . 26933 2 502 . 2 2 124 124 ILE C C 13 175.564 0.300 . 1 . . . . 123 ILE C . 26933 2 503 . 2 2 124 124 ILE CA C 13 59.871 0.300 . 1 . . . . 123 ILE CA . 26933 2 504 . 2 2 124 124 ILE CB C 13 41.370 0.300 . 1 . . . . 123 ILE CB . 26933 2 505 . 2 2 124 124 ILE N N 15 123.537 0.300 . 1 . . . . 123 ILE N . 26933 2 506 . 2 2 125 125 GLY H H 1 9.508 0.020 . 1 . . . . 124 GLY H . 26933 2 507 . 2 2 125 125 GLY C C 13 171.657 0.300 . 1 . . . . 124 GLY C . 26933 2 508 . 2 2 125 125 GLY CA C 13 46.554 0.300 . 1 . . . . 124 GLY CA . 26933 2 509 . 2 2 125 125 GLY N N 15 112.593 0.300 . 1 . . . . 124 GLY N . 26933 2 510 . 2 2 126 126 ALA H H 1 7.579 0.020 . 1 . . . . 125 ALA H . 26933 2 511 . 2 2 126 126 ALA C C 13 175.890 0.300 . 1 . . . . 125 ALA C . 26933 2 512 . 2 2 126 126 ALA CA C 13 49.978 0.300 . 1 . . . . 125 ALA CA . 26933 2 513 . 2 2 126 126 ALA CB C 13 20.730 0.300 . 1 . . . . 125 ALA CB . 26933 2 514 . 2 2 126 126 ALA N N 15 123.696 0.300 . 1 . . . . 125 ALA N . 26933 2 515 . 2 2 127 127 VAL H H 1 9.141 0.020 . 1 . . . . 126 VAL H . 26933 2 516 . 2 2 127 127 VAL C C 13 174.496 0.300 . 1 . . . . 126 VAL C . 26933 2 517 . 2 2 127 127 VAL CA C 13 57.550 0.300 . 1 . . . . 126 VAL CA . 26933 2 518 . 2 2 127 127 VAL CB C 13 33.232 0.300 . 1 . . . . 126 VAL CB . 26933 2 519 . 2 2 127 127 VAL N N 15 112.163 0.300 . 1 . . . . 126 VAL N . 26933 2 520 . 2 2 128 128 ALA H H 1 9.783 0.020 . 1 . . . . 127 ALA H . 26933 2 521 . 2 2 128 128 ALA C C 13 175.121 0.300 . 1 . . . . 127 ALA C . 26933 2 522 . 2 2 128 128 ALA CA C 13 49.680 0.300 . 1 . . . . 127 ALA CA . 26933 2 523 . 2 2 128 128 ALA CB C 13 16.686 0.300 . 1 . . . . 127 ALA CB . 26933 2 524 . 2 2 128 128 ALA N N 15 135.481 0.300 . 1 . . . . 127 ALA N . 26933 2 525 . 2 2 129 129 LEU H H 1 7.150 0.020 . 1 . . . . 128 LEU H . 26933 2 526 . 2 2 129 129 LEU C C 13 175.997 0.300 . 1 . . . . 128 LEU C . 26933 2 527 . 2 2 129 129 LEU CA C 13 52.723 0.300 . 1 . . . . 128 LEU CA . 26933 2 528 . 2 2 129 129 LEU CB C 13 45.418 0.300 . 1 . . . . 128 LEU CB . 26933 2 529 . 2 2 129 129 LEU N N 15 117.525 0.300 . 1 . . . . 128 LEU N . 26933 2 530 . 2 2 130 130 ASP H H 1 9.131 0.020 . 1 . . . . 129 ASP H . 26933 2 531 . 2 2 130 130 ASP C C 13 172.302 0.300 . 1 . . . . 129 ASP C . 26933 2 532 . 2 2 130 130 ASP CA C 13 53.946 0.300 . 1 . . . . 129 ASP CA . 26933 2 533 . 2 2 130 130 ASP CB C 13 42.214 0.300 . 1 . . . . 129 ASP CB . 26933 2 534 . 2 2 130 130 ASP N N 15 126.887 0.300 . 1 . . . . 129 ASP N . 26933 2 535 . 2 2 131 131 TYR H H 1 7.790 0.020 . 1 . . . . 130 TYR H . 26933 2 536 . 2 2 131 131 TYR CA C 13 56.228 0.300 . 1 . . . . 130 TYR CA . 26933 2 537 . 2 2 131 131 TYR CB C 13 39.429 0.300 . 1 . . . . 130 TYR CB . 26933 2 538 . 2 2 131 131 TYR N N 15 124.454 0.300 . 1 . . . . 130 TYR N . 26933 2 539 . 2 2 132 132 PRO C C 13 177.958 0.300 . 1 . . . . 131 PRO C . 26933 2 540 . 2 2 132 132 PRO CA C 13 62.540 0.300 . 1 . . . . 131 PRO CA . 26933 2 541 . 2 2 132 132 PRO CB C 13 33.069 0.300 . 1 . . . . 131 PRO CB . 26933 2 542 . 2 2 133 133 ALA H H 1 8.917 0.020 . 1 . . . . 132 ALA H . 26933 2 543 . 2 2 133 133 ALA CA C 13 54.756 0.300 . 1 . . . . 132 ALA CA . 26933 2 544 . 2 2 133 133 ALA CB C 13 17.283 0.300 . 1 . . . . 132 ALA CB . 26933 2 545 . 2 2 133 133 ALA N N 15 123.263 0.300 . 1 . . . . 132 ALA N . 26933 2 546 . 2 2 134 134 GLY C C 13 173.829 0.300 . 1 . . . . 133 GLY C . 26933 2 547 . 2 2 134 134 GLY CA C 13 45.079 0.300 . 1 . . . . 133 GLY CA . 26933 2 548 . 2 2 135 135 THR H H 1 8.088 0.020 . 1 . . . . 134 THR H . 26933 2 549 . 2 2 135 135 THR C C 13 177.917 0.300 . 1 . . . . 134 THR C . 26933 2 550 . 2 2 135 135 THR CA C 13 62.580 0.300 . 1 . . . . 134 THR CA . 26933 2 551 . 2 2 135 135 THR CB C 13 68.678 0.300 . 1 . . . . 134 THR CB . 26933 2 552 . 2 2 135 135 THR N N 15 112.150 0.300 . 1 . . . . 134 THR N . 26933 2 553 . 2 2 136 136 SER H H 1 8.757 0.020 . 1 . . . . 135 SER H . 26933 2 554 . 2 2 136 136 SER C C 13 172.247 0.300 . 1 . . . . 135 SER C . 26933 2 555 . 2 2 136 136 SER CA C 13 61.724 0.300 . 1 . . . . 135 SER CA . 26933 2 556 . 2 2 136 136 SER CB C 13 62.974 0.300 . 1 . . . . 135 SER CB . 26933 2 557 . 2 2 136 136 SER N N 15 119.758 0.300 . 1 . . . . 135 SER N . 26933 2 558 . 2 2 137 137 GLY H H 1 10.195 0.020 . 1 . . . . 136 GLY H . 26933 2 559 . 2 2 137 137 GLY C C 13 172.306 0.300 . 1 . . . . 136 GLY C . 26933 2 560 . 2 2 137 137 GLY CA C 13 44.016 0.300 . 1 . . . . 136 GLY CA . 26933 2 561 . 2 2 137 137 GLY N N 15 110.782 0.300 . 1 . . . . 136 GLY N . 26933 2 562 . 2 2 138 138 SER H H 1 7.459 0.020 . 1 . . . . 137 SER H . 26933 2 563 . 2 2 138 138 SER CA C 13 58.488 0.300 . 1 . . . . 137 SER CA . 26933 2 564 . 2 2 138 138 SER CB C 13 62.943 0.300 . 1 . . . . 137 SER CB . 26933 2 565 . 2 2 138 138 SER N N 15 114.974 0.300 . 1 . . . . 137 SER N . 26933 2 566 . 2 2 139 139 PRO C C 13 173.581 0.300 . 1 . . . . 138 PRO C . 26933 2 567 . 2 2 139 139 PRO CA C 13 62.038 0.300 . 1 . . . . 138 PRO CA . 26933 2 568 . 2 2 139 139 PRO CB C 13 32.425 0.300 . 1 . . . . 138 PRO CB . 26933 2 569 . 2 2 140 140 ILE H H 1 8.562 0.020 . 1 . . . . 139 ILE H . 26933 2 570 . 2 2 140 140 ILE C C 13 174.707 0.300 . 1 . . . . 139 ILE C . 26933 2 571 . 2 2 140 140 ILE CA C 13 59.050 0.300 . 1 . . . . 139 ILE CA . 26933 2 572 . 2 2 140 140 ILE CB C 13 37.906 0.300 . 1 . . . . 139 ILE CB . 26933 2 573 . 2 2 140 140 ILE N N 15 120.409 0.300 . 1 . . . . 139 ILE N . 26933 2 574 . 2 2 141 141 LEU H H 1 10.000 0.020 . 1 . . . . 140 LEU H . 26933 2 575 . 2 2 141 141 LEU C C 13 177.600 0.300 . 1 . . . . 140 LEU C . 26933 2 576 . 2 2 141 141 LEU CA C 13 53.366 0.300 . 1 . . . . 140 LEU CA . 26933 2 577 . 2 2 141 141 LEU CB C 13 45.436 0.300 . 1 . . . . 140 LEU CB . 26933 2 578 . 2 2 141 141 LEU N N 15 126.803 0.300 . 1 . . . . 140 LEU N . 26933 2 579 . 2 2 142 142 ASP H H 1 8.517 0.020 . 1 . . . . 141 ASP H . 26933 2 580 . 2 2 142 142 ASP C C 13 177.892 0.300 . 1 . . . . 141 ASP C . 26933 2 581 . 2 2 142 142 ASP CA C 13 51.160 0.300 . 1 . . . . 141 ASP CA . 26933 2 582 . 2 2 142 142 ASP CB C 13 41.966 0.300 . 1 . . . . 141 ASP CB . 26933 2 583 . 2 2 142 142 ASP N N 15 117.446 0.300 . 1 . . . . 141 ASP N . 26933 2 584 . 2 2 143 143 LYS H H 1 7.749 0.020 . 1 . . . . 142 LYS H . 26933 2 585 . 2 2 143 143 LYS C C 13 177.995 0.300 . 1 . . . . 142 LYS C . 26933 2 586 . 2 2 143 143 LYS CA C 13 57.135 0.300 . 1 . . . . 142 LYS CA . 26933 2 587 . 2 2 143 143 LYS CB C 13 30.462 0.300 . 1 . . . . 142 LYS CB . 26933 2 588 . 2 2 143 143 LYS N N 15 114.901 0.300 . 1 . . . . 142 LYS N . 26933 2 589 . 2 2 144 144 CYS H H 1 7.826 0.020 . 1 . . . . 143 CYS H . 26933 2 590 . 2 2 144 144 CYS C C 13 174.942 0.300 . 1 . . . . 143 CYS C . 26933 2 591 . 2 2 144 144 CYS CA C 13 58.607 0.300 . 1 . . . . 143 CYS CA . 26933 2 592 . 2 2 144 144 CYS CB C 13 26.791 0.300 . 1 . . . . 143 CYS CB . 26933 2 593 . 2 2 144 144 CYS N N 15 117.284 0.300 . 1 . . . . 143 CYS N . 26933 2 594 . 2 2 145 145 GLY H H 1 8.942 0.020 . 1 . . . . 144 GLY H . 26933 2 595 . 2 2 145 145 GLY C C 13 173.103 0.300 . 1 . . . . 144 GLY C . 26933 2 596 . 2 2 145 145 GLY CA C 13 44.989 0.300 . 1 . . . . 144 GLY CA . 26933 2 597 . 2 2 145 145 GLY N N 15 109.975 0.300 . 1 . . . . 144 GLY N . 26933 2 598 . 2 2 146 146 ARG H H 1 8.211 0.020 . 1 . . . . 145 ARG H . 26933 2 599 . 2 2 146 146 ARG C C 13 176.019 0.300 . 1 . . . . 145 ARG C . 26933 2 600 . 2 2 146 146 ARG CA C 13 54.682 0.300 . 1 . . . . 145 ARG CA . 26933 2 601 . 2 2 146 146 ARG CB C 13 29.501 0.300 . 1 . . . . 145 ARG CB . 26933 2 602 . 2 2 146 146 ARG N N 15 119.022 0.300 . 1 . . . . 145 ARG N . 26933 2 603 . 2 2 147 147 VAL H H 1 8.537 0.020 . 1 . . . . 146 VAL H . 26933 2 604 . 2 2 147 147 VAL C C 13 176.509 0.300 . 1 . . . . 146 VAL C . 26933 2 605 . 2 2 147 147 VAL CA C 13 62.653 0.300 . 1 . . . . 146 VAL CA . 26933 2 606 . 2 2 147 147 VAL CB C 13 30.399 0.300 . 1 . . . . 146 VAL CB . 26933 2 607 . 2 2 147 147 VAL N N 15 119.766 0.300 . 1 . . . . 146 VAL N . 26933 2 608 . 2 2 148 148 ILE H H 1 9.065 0.020 . 1 . . . . 147 ILE H . 26933 2 609 . 2 2 148 148 ILE C C 13 174.138 0.300 . 1 . . . . 147 ILE C . 26933 2 610 . 2 2 148 148 ILE CA C 13 60.425 0.300 . 1 . . . . 147 ILE CA . 26933 2 611 . 2 2 148 148 ILE CB C 13 37.167 0.300 . 1 . . . . 147 ILE CB . 26933 2 612 . 2 2 148 148 ILE N N 15 122.704 0.300 . 1 . . . . 147 ILE N . 26933 2 613 . 2 2 149 149 GLY H H 1 7.420 0.020 . 1 . . . . 148 GLY H . 26933 2 614 . 2 2 149 149 GLY C C 13 170.104 0.300 . 1 . . . . 148 GLY C . 26933 2 615 . 2 2 149 149 GLY CA C 13 43.964 0.300 . 1 . . . . 148 GLY CA . 26933 2 616 . 2 2 149 149 GLY N N 15 104.732 0.300 . 1 . . . . 148 GLY N . 26933 2 617 . 2 2 150 150 LEU H H 1 9.479 0.020 . 1 . . . . 149 LEU H . 26933 2 618 . 2 2 150 150 LEU C C 13 176.960 0.300 . 1 . . . . 149 LEU C . 26933 2 619 . 2 2 150 150 LEU CA C 13 52.919 0.300 . 1 . . . . 149 LEU CA . 26933 2 620 . 2 2 150 150 LEU CB C 13 44.060 0.300 . 1 . . . . 149 LEU CB . 26933 2 621 . 2 2 150 150 LEU N N 15 116.071 0.300 . 1 . . . . 149 LEU N . 26933 2 622 . 2 2 151 151 TYR H H 1 9.253 0.020 . 1 . . . . 150 TYR H . 26933 2 623 . 2 2 151 151 TYR C C 13 174.831 0.300 . 1 . . . . 150 TYR C . 26933 2 624 . 2 2 151 151 TYR CA C 13 57.576 0.300 . 1 . . . . 150 TYR CA . 26933 2 625 . 2 2 151 151 TYR CB C 13 41.714 0.300 . 1 . . . . 150 TYR CB . 26933 2 626 . 2 2 151 151 TYR N N 15 123.541 0.300 . 1 . . . . 150 TYR N . 26933 2 627 . 2 2 152 152 GLY H H 1 8.291 0.020 . 1 . . . . 151 GLY H . 26933 2 628 . 2 2 152 152 GLY C C 13 172.162 0.300 . 1 . . . . 151 GLY C . 26933 2 629 . 2 2 152 152 GLY CA C 13 45.598 0.300 . 1 . . . . 151 GLY CA . 26933 2 630 . 2 2 152 152 GLY N N 15 112.634 0.300 . 1 . . . . 151 GLY N . 26933 2 631 . 2 2 153 153 ASN H H 1 8.690 0.020 . 1 . . . . 152 ASN H . 26933 2 632 . 2 2 153 153 ASN C C 13 175.745 0.300 . 1 . . . . 152 ASN C . 26933 2 633 . 2 2 153 153 ASN CA C 13 52.067 0.300 . 1 . . . . 152 ASN CA . 26933 2 634 . 2 2 153 153 ASN CB C 13 38.839 0.300 . 1 . . . . 152 ASN CB . 26933 2 635 . 2 2 153 153 ASN N N 15 119.536 0.300 . 1 . . . . 152 ASN N . 26933 2 636 . 2 2 154 154 GLY H H 1 8.952 0.020 . 1 . . . . 153 GLY H . 26933 2 637 . 2 2 154 154 GLY C C 13 171.577 0.300 . 1 . . . . 153 GLY C . 26933 2 638 . 2 2 154 154 GLY CA C 13 45.835 0.300 . 1 . . . . 153 GLY CA . 26933 2 639 . 2 2 154 154 GLY N N 15 113.900 0.300 . 1 . . . . 153 GLY N . 26933 2 640 . 2 2 155 155 VAL H H 1 8.793 0.020 . 1 . . . . 154 VAL H . 26933 2 641 . 2 2 155 155 VAL C C 13 171.906 0.300 . 1 . . . . 154 VAL C . 26933 2 642 . 2 2 155 155 VAL CA C 13 58.819 0.300 . 1 . . . . 154 VAL CA . 26933 2 643 . 2 2 155 155 VAL CB C 13 35.696 0.300 . 1 . . . . 154 VAL CB . 26933 2 644 . 2 2 155 155 VAL N N 15 118.107 0.300 . 1 . . . . 154 VAL N . 26933 2 645 . 2 2 156 156 VAL H H 1 8.105 0.020 . 1 . . . . 155 VAL H . 26933 2 646 . 2 2 156 156 VAL C C 13 177.503 0.300 . 1 . . . . 155 VAL C . 26933 2 647 . 2 2 156 156 VAL CA C 13 61.040 0.300 . 1 . . . . 155 VAL CA . 26933 2 648 . 2 2 156 156 VAL CB C 13 31.603 0.300 . 1 . . . . 155 VAL CB . 26933 2 649 . 2 2 156 156 VAL N N 15 122.493 0.300 . 1 . . . . 155 VAL N . 26933 2 650 . 2 2 157 157 ILE H H 1 8.375 0.020 . 1 . . . . 156 ILE H . 26933 2 651 . 2 2 157 157 ILE C C 13 178.009 0.300 . 1 . . . . 156 ILE C . 26933 2 652 . 2 2 157 157 ILE CA C 13 60.818 0.300 . 1 . . . . 156 ILE CA . 26933 2 653 . 2 2 157 157 ILE CB C 13 36.926 0.300 . 1 . . . . 156 ILE CB . 26933 2 654 . 2 2 157 157 ILE N N 15 120.844 0.300 . 1 . . . . 156 ILE N . 26933 2 655 . 2 2 158 158 LYS H H 1 8.487 0.020 . 1 . . . . 157 LYS H . 26933 2 656 . 2 2 158 158 LYS C C 13 177.671 0.300 . 1 . . . . 157 LYS C . 26933 2 657 . 2 2 158 158 LYS CA C 13 59.503 0.300 . 1 . . . . 157 LYS CA . 26933 2 658 . 2 2 158 158 LYS CB C 13 30.806 0.300 . 1 . . . . 157 LYS CB . 26933 2 659 . 2 2 158 158 LYS N N 15 119.628 0.300 . 1 . . . . 157 LYS N . 26933 2 660 . 2 2 159 159 ASN H H 1 7.837 0.020 . 1 . . . . 158 ASN H . 26933 2 661 . 2 2 159 159 ASN C C 13 176.573 0.300 . 1 . . . . 158 ASN C . 26933 2 662 . 2 2 159 159 ASN CA C 13 52.296 0.300 . 1 . . . . 158 ASN CA . 26933 2 663 . 2 2 159 159 ASN CB C 13 36.464 0.300 . 1 . . . . 158 ASN CB . 26933 2 664 . 2 2 159 159 ASN N N 15 114.188 0.300 . 1 . . . . 158 ASN N . 26933 2 665 . 2 2 160 160 GLY H H 1 8.468 0.020 . 1 . . . . 159 GLY H . 26933 2 666 . 2 2 160 160 GLY C C 13 174.317 0.300 . 1 . . . . 159 GLY C . 26933 2 667 . 2 2 160 160 GLY CA C 13 44.611 0.300 . 1 . . . . 159 GLY CA . 26933 2 668 . 2 2 160 160 GLY N N 15 108.337 0.300 . 1 . . . . 159 GLY N . 26933 2 669 . 2 2 161 161 SER H H 1 7.831 0.020 . 1 . . . . 160 SER H . 26933 2 670 . 2 2 161 161 SER C C 13 171.311 0.300 . 1 . . . . 160 SER C . 26933 2 671 . 2 2 161 161 SER CA C 13 58.415 0.300 . 1 . . . . 160 SER CA . 26933 2 672 . 2 2 161 161 SER CB C 13 63.502 0.300 . 1 . . . . 160 SER CB . 26933 2 673 . 2 2 161 161 SER N N 15 117.059 0.300 . 1 . . . . 160 SER N . 26933 2 674 . 2 2 162 162 TYR H H 1 7.642 0.020 . 1 . . . . 161 TYR H . 26933 2 675 . 2 2 162 162 TYR C C 13 173.986 0.300 . 1 . . . . 161 TYR C . 26933 2 676 . 2 2 162 162 TYR CA C 13 56.969 0.300 . 1 . . . . 161 TYR CA . 26933 2 677 . 2 2 162 162 TYR CB C 13 41.525 0.300 . 1 . . . . 161 TYR CB . 26933 2 678 . 2 2 162 162 TYR N N 15 121.310 0.300 . 1 . . . . 161 TYR N . 26933 2 679 . 2 2 163 163 VAL H H 1 7.948 0.020 . 1 . . . . 162 VAL H . 26933 2 680 . 2 2 163 163 VAL C C 13 173.997 0.300 . 1 . . . . 162 VAL C . 26933 2 681 . 2 2 163 163 VAL CA C 13 59.915 0.300 . 1 . . . . 162 VAL CA . 26933 2 682 . 2 2 163 163 VAL CB C 13 33.681 0.300 . 1 . . . . 162 VAL CB . 26933 2 683 . 2 2 163 163 VAL N N 15 125.119 0.300 . 1 . . . . 162 VAL N . 26933 2 684 . 2 2 164 164 SER H H 1 8.275 0.020 . 1 . . . . 163 SER H . 26933 2 685 . 2 2 164 164 SER C C 13 175.282 0.300 . 1 . . . . 163 SER C . 26933 2 686 . 2 2 164 164 SER CA C 13 55.339 0.300 . 1 . . . . 163 SER CA . 26933 2 687 . 2 2 164 164 SER CB C 13 66.753 0.300 . 1 . . . . 163 SER CB . 26933 2 688 . 2 2 164 164 SER N N 15 116.408 0.300 . 1 . . . . 163 SER N . 26933 2 689 . 2 2 165 165 ALA H H 1 9.195 0.020 . 1 . . . . 164 ALA H . 26933 2 690 . 2 2 165 165 ALA C C 13 180.189 0.300 . 1 . . . . 164 ALA C . 26933 2 691 . 2 2 165 165 ALA CA C 13 52.980 0.300 . 1 . . . . 164 ALA CA . 26933 2 692 . 2 2 165 165 ALA CB C 13 17.957 0.300 . 1 . . . . 164 ALA CB . 26933 2 693 . 2 2 165 165 ALA N N 15 129.422 0.300 . 1 . . . . 164 ALA N . 26933 2 694 . 2 2 166 166 ILE H H 1 8.553 0.020 . 1 . . . . 165 ILE H . 26933 2 695 . 2 2 166 166 ILE C C 13 174.532 0.300 . 1 . . . . 165 ILE C . 26933 2 696 . 2 2 166 166 ILE CA C 13 61.608 0.300 . 1 . . . . 165 ILE CA . 26933 2 697 . 2 2 166 166 ILE CB C 13 35.365 0.300 . 1 . . . . 165 ILE CB . 26933 2 698 . 2 2 166 166 ILE N N 15 125.571 0.300 . 1 . . . . 165 ILE N . 26933 2 699 . 2 2 167 167 THR H H 1 7.307 0.020 . 1 . . . . 166 THR H . 26933 2 700 . 2 2 167 167 THR C C 13 172.652 0.300 . 1 . . . . 166 THR C . 26933 2 701 . 2 2 167 167 THR CA C 13 64.173 0.300 . 1 . . . . 166 THR CA . 26933 2 702 . 2 2 167 167 THR CB C 13 68.199 0.300 . 1 . . . . 166 THR CB . 26933 2 703 . 2 2 167 167 THR N N 15 122.897 0.300 . 1 . . . . 166 THR N . 26933 2 704 . 2 2 168 168 GLN H H 1 8.756 0.020 . 1 . . . . 167 GLN H . 26933 2 705 . 2 2 168 168 GLN C C 13 176.020 0.300 . 1 . . . . 167 GLN C . 26933 2 706 . 2 2 168 168 GLN CA C 13 51.946 0.300 . 1 . . . . 167 GLN CA . 26933 2 707 . 2 2 168 168 GLN CB C 13 31.908 0.300 . 1 . . . . 167 GLN CB . 26933 2 708 . 2 2 168 168 GLN N N 15 129.098 0.300 . 1 . . . . 167 GLN N . 26933 2 709 . 2 2 169 169 GLY H H 1 8.343 0.020 . 1 . . . . 168 GLY H . 26933 2 710 . 2 2 169 169 GLY C C 13 172.250 0.300 . 1 . . . . 168 GLY C . 26933 2 711 . 2 2 169 169 GLY CA C 13 43.559 0.300 . 1 . . . . 168 GLY CA . 26933 2 712 . 2 2 169 169 GLY N N 15 115.908 0.300 . 1 . . . . 168 GLY N . 26933 2 713 . 2 2 170 170 LYS H H 1 8.023 0.020 . 1 . . . . 169 LYS H . 26933 2 714 . 2 2 170 170 LYS C C 13 175.519 0.300 . 1 . . . . 169 LYS C . 26933 2 715 . 2 2 170 170 LYS CA C 13 54.583 0.300 . 1 . . . . 169 LYS CA . 26933 2 716 . 2 2 170 170 LYS CB C 13 33.002 0.300 . 1 . . . . 169 LYS CB . 26933 2 717 . 2 2 170 170 LYS N N 15 121.494 0.300 . 1 . . . . 169 LYS N . 26933 2 718 . 2 2 171 171 ARG H H 1 8.657 0.020 . 1 . . . . 170 ARG H . 26933 2 719 . 2 2 171 171 ARG C C 13 176.204 0.300 . 1 . . . . 170 ARG C . 26933 2 720 . 2 2 171 171 ARG CA C 13 55.112 0.300 . 1 . . . . 170 ARG CA . 26933 2 721 . 2 2 171 171 ARG CB C 13 29.906 0.300 . 1 . . . . 170 ARG CB . 26933 2 722 . 2 2 171 171 ARG N N 15 125.372 0.300 . 1 . . . . 170 ARG N . 26933 2 723 . 2 2 172 172 GLU H H 1 8.597 0.020 . 1 . . . . 171 GLU H . 26933 2 724 . 2 2 172 172 GLU CA C 13 55.547 0.300 . 1 . . . . 171 GLU CA . 26933 2 725 . 2 2 172 172 GLU CB C 13 29.852 0.300 . 1 . . . . 171 GLU CB . 26933 2 726 . 2 2 172 172 GLU N N 15 125.520 0.300 . 1 . . . . 171 GLU N . 26933 2 727 . 2 2 173 173 GLU C C 13 176.352 0.300 . 1 . . . . 172 GLU C . 26933 2 728 . 2 2 173 173 GLU CA C 13 55.742 0.300 . 1 . . . . 172 GLU CA . 26933 2 729 . 2 2 173 173 GLU CB C 13 29.587 0.300 . 1 . . . . 172 GLU CB . 26933 2 730 . 2 2 174 174 GLU H H 1 8.597 0.020 . 1 . . . . 173 GLU H . 26933 2 731 . 2 2 174 174 GLU C C 13 176.412 0.300 . 1 . . . . 173 GLU C . 26933 2 732 . 2 2 174 174 GLU CA C 13 55.849 0.300 . 1 . . . . 173 GLU CA . 26933 2 733 . 2 2 174 174 GLU CB C 13 29.551 0.300 . 1 . . . . 173 GLU CB . 26933 2 734 . 2 2 174 174 GLU N N 15 122.600 0.300 . 1 . . . . 173 GLU N . 26933 2 735 . 2 2 175 175 THR H H 1 8.403 0.020 . 1 . . . . 174 THR H . 26933 2 736 . 2 2 175 175 THR CA C 13 59.545 0.300 . 1 . . . . 174 THR CA . 26933 2 737 . 2 2 175 175 THR CB C 13 69.231 0.300 . 1 . . . . 174 THR CB . 26933 2 738 . 2 2 175 175 THR N N 15 119.114 0.300 . 1 . . . . 174 THR N . 26933 2 739 . 2 2 176 176 PRO C C 13 176.888 0.300 . 1 . . . . 175 PRO C . 26933 2 740 . 2 2 176 176 PRO CA C 13 62.593 0.300 . 1 . . . . 175 PRO CA . 26933 2 741 . 2 2 176 176 PRO CB C 13 31.299 0.300 . 1 . . . . 175 PRO CB . 26933 2 742 . 2 2 177 177 VAL H H 1 8.345 0.020 . 1 . . . . 176 VAL H . 26933 2 743 . 2 2 177 177 VAL C C 13 175.506 0.300 . 1 . . . . 176 VAL C . 26933 2 744 . 2 2 177 177 VAL CA C 13 61.988 0.300 . 1 . . . . 176 VAL CA . 26933 2 745 . 2 2 177 177 VAL CB C 13 32.087 0.300 . 1 . . . . 176 VAL CB . 26933 2 746 . 2 2 177 177 VAL N N 15 120.980 0.300 . 1 . . . . 176 VAL N . 26933 2 747 . 2 2 178 178 GLU H H 1 7.982 0.020 . 1 . . . . 177 GLU H . 26933 2 748 . 2 2 178 178 GLU CA C 13 57.456 0.300 . 1 . . . . 177 GLU CA . 26933 2 749 . 2 2 178 178 GLU CB C 13 30.384 0.300 . 1 . . . . 177 GLU CB . 26933 2 750 . 2 2 178 178 GLU N N 15 129.097 0.300 . 1 . . . . 177 GLU N . 26933 2 stop_ save_