data_26927 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26927 _Entry.Title ; Backbone assignment of unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-28 _Entry.Accession_date 2016-10-28 _Entry.Last_release_date 2016-10-28 _Entry.Original_release_date 2016-10-28 _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 . . . . 26927 2 Zhenzhen Zhang . . . . 26927 3 'Ying Ru' Loh . . . . 26927 4 'Wint Wint' Phoo . . . . 26927 5 CongBao Kang . . . . 26927 6 Dahai Luo . . . . 26927 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' . 26927 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 26927 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 26927 '15N chemical shifts' 221 26927 '1H chemical shifts' 221 26927 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-01-26 2016-10-28 update BMRB 'update entry citation' 26927 1 . . 2016-12-15 2016-10-28 original author 'original release' 26927 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' 26927 BMRB 26928 'unlinked NS2B-NS3 Protease of Zika Virus in complex without acetyl-lysine-arginine' 26927 BMRB 26933 'unlinked NS2B-NS3 Protease of Zika Virus in complex with acetyl-lysine-arginine aldehyde' 26927 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26927 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27940580 _Citation.Full_citation . _Citation.Title ; Crystal structure of unlinked NS2B-NS3 protease from Zika virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 354 _Citation.Journal_issue 6319 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1597 _Citation.Page_last 1600 _Citation.Year 2016 _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 Zhenzhen Zhang . . . . 26927 1 2 Yan Li . . . . 26927 1 3 'Ying Ru' Loh . . . . 26927 1 4 'Wint Wint' Phoo . . . . 26927 1 5 Alvin Hung . W. . . 26927 1 6 CongBao Kang . . . . 26927 1 7 Dahai Luo . . . . 26927 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Zika virus' 26927 1 'closed conformation' 26927 1 protease 26927 1 structure 26927 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26927 _Assembly.ID 1 _Assembly.Name 'NS2B-NS3 Protease from Zika Virus in complex with acetyl-lysine-arginine' _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.' _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 . . . 26927 1 2 'NS3 fragment (1-177)' 2 $NS3_fragment B . yes native no no . . . 26927 1 3 acetyl-lysine-arginine 3 $acetyl-lysine-arginine C . no native no no . . . 26927 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS2B_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS2B_fragment _Entity.Entry_ID 26927 _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 . 26927 1 2 . GLY . 26927 1 3 . SER . 26927 1 4 . SER . 26927 1 5 . HIS . 26927 1 6 . HIS . 26927 1 7 . HIS . 26927 1 8 . HIS . 26927 1 9 . HIS . 26927 1 10 . HIS . 26927 1 11 . SER . 26927 1 12 . SER . 26927 1 13 . GLY . 26927 1 14 . LEU . 26927 1 15 . VAL . 26927 1 16 . PRO . 26927 1 17 . ARG . 26927 1 18 . GLY . 26927 1 19 . SER . 26927 1 20 . HIS . 26927 1 21 . MET . 26927 1 22 45 THR . 26927 1 23 46 GLY . 26927 1 24 47 LYS . 26927 1 25 48 SER . 26927 1 26 49 VAL . 26927 1 27 50 ASP . 26927 1 28 51 MET . 26927 1 29 52 TYR . 26927 1 30 53 ILE . 26927 1 31 54 GLU . 26927 1 32 55 ARG . 26927 1 33 56 ALA . 26927 1 34 57 GLY . 26927 1 35 58 ASP . 26927 1 36 59 ILE . 26927 1 37 60 THR . 26927 1 38 61 TRP . 26927 1 39 62 GLU . 26927 1 40 63 LYS . 26927 1 41 64 ASP . 26927 1 42 65 ALA . 26927 1 43 66 GLU . 26927 1 44 67 VAL . 26927 1 45 68 THR . 26927 1 46 69 GLY . 26927 1 47 70 ASN . 26927 1 48 71 SER . 26927 1 49 72 PRO . 26927 1 50 73 ARG . 26927 1 51 74 LEU . 26927 1 52 75 ASP . 26927 1 53 76 VAL . 26927 1 54 77 ALA . 26927 1 55 78 LEU . 26927 1 56 79 ASP . 26927 1 57 80 GLU . 26927 1 58 81 SER . 26927 1 59 82 GLY . 26927 1 60 83 ASP . 26927 1 61 84 PHE . 26927 1 62 85 SER . 26927 1 63 86 LEU . 26927 1 64 87 VAL . 26927 1 65 88 GLU . 26927 1 66 89 GLU . 26927 1 67 90 ASP . 26927 1 68 91 GLY . 26927 1 69 92 PRO . 26927 1 70 93 PRO . 26927 1 71 94 MET . 26927 1 72 95 ARG . 26927 1 73 96 GLU . 26927 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 26927 1 . GLY 2 2 26927 1 . SER 3 3 26927 1 . SER 4 4 26927 1 . HIS 5 5 26927 1 . HIS 6 6 26927 1 . HIS 7 7 26927 1 . HIS 8 8 26927 1 . HIS 9 9 26927 1 . HIS 10 10 26927 1 . SER 11 11 26927 1 . SER 12 12 26927 1 . GLY 13 13 26927 1 . LEU 14 14 26927 1 . VAL 15 15 26927 1 . PRO 16 16 26927 1 . ARG 17 17 26927 1 . GLY 18 18 26927 1 . SER 19 19 26927 1 . HIS 20 20 26927 1 . MET 21 21 26927 1 . THR 22 22 26927 1 . GLY 23 23 26927 1 . LYS 24 24 26927 1 . SER 25 25 26927 1 . VAL 26 26 26927 1 . ASP 27 27 26927 1 . MET 28 28 26927 1 . TYR 29 29 26927 1 . ILE 30 30 26927 1 . GLU 31 31 26927 1 . ARG 32 32 26927 1 . ALA 33 33 26927 1 . GLY 34 34 26927 1 . ASP 35 35 26927 1 . ILE 36 36 26927 1 . THR 37 37 26927 1 . TRP 38 38 26927 1 . GLU 39 39 26927 1 . LYS 40 40 26927 1 . ASP 41 41 26927 1 . ALA 42 42 26927 1 . GLU 43 43 26927 1 . VAL 44 44 26927 1 . THR 45 45 26927 1 . GLY 46 46 26927 1 . ASN 47 47 26927 1 . SER 48 48 26927 1 . PRO 49 49 26927 1 . ARG 50 50 26927 1 . LEU 51 51 26927 1 . ASP 52 52 26927 1 . VAL 53 53 26927 1 . ALA 54 54 26927 1 . LEU 55 55 26927 1 . ASP 56 56 26927 1 . GLU 57 57 26927 1 . SER 58 58 26927 1 . GLY 59 59 26927 1 . ASP 60 60 26927 1 . PHE 61 61 26927 1 . SER 62 62 26927 1 . LEU 63 63 26927 1 . VAL 64 64 26927 1 . GLU 65 65 26927 1 . GLU 66 66 26927 1 . ASP 67 67 26927 1 . GLY 68 68 26927 1 . PRO 69 69 26927 1 . PRO 70 70 26927 1 . MET 71 71 26927 1 . ARG 72 72 26927 1 . GLU 73 73 26927 1 stop_ save_ save_NS3_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS3_fragment _Entity.Entry_ID 26927 _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 ; SGALWDVPAPKEVKKGETTD GVYRVMTRRLLGSTQVGVGV MQEGVFHTMWHVTKGAALRS GEGRLDPYWGDVKQDLVSYC GPWKLDAAWDGLSEVQLLAV PPGERAKNIQTLPGIFKTKD GDIGAVALDYPAGTSGSPIL DKCGRVIGLYGNGVVIKNGS YVSAITQGKREEETPVE ; _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 177 _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 1 SER . 26927 2 2 2 GLY . 26927 2 3 3 ALA . 26927 2 4 4 LEU . 26927 2 5 5 TRP . 26927 2 6 6 ASP . 26927 2 7 7 VAL . 26927 2 8 8 PRO . 26927 2 9 9 ALA . 26927 2 10 10 PRO . 26927 2 11 11 LYS . 26927 2 12 12 GLU . 26927 2 13 13 VAL . 26927 2 14 14 LYS . 26927 2 15 15 LYS . 26927 2 16 16 GLY . 26927 2 17 17 GLU . 26927 2 18 18 THR . 26927 2 19 19 THR . 26927 2 20 20 ASP . 26927 2 21 21 GLY . 26927 2 22 22 VAL . 26927 2 23 23 TYR . 26927 2 24 24 ARG . 26927 2 25 25 VAL . 26927 2 26 26 MET . 26927 2 27 27 THR . 26927 2 28 28 ARG . 26927 2 29 29 ARG . 26927 2 30 30 LEU . 26927 2 31 31 LEU . 26927 2 32 32 GLY . 26927 2 33 33 SER . 26927 2 34 34 THR . 26927 2 35 35 GLN . 26927 2 36 36 VAL . 26927 2 37 37 GLY . 26927 2 38 38 VAL . 26927 2 39 39 GLY . 26927 2 40 40 VAL . 26927 2 41 41 MET . 26927 2 42 42 GLN . 26927 2 43 43 GLU . 26927 2 44 44 GLY . 26927 2 45 45 VAL . 26927 2 46 46 PHE . 26927 2 47 47 HIS . 26927 2 48 48 THR . 26927 2 49 49 MET . 26927 2 50 50 TRP . 26927 2 51 51 HIS . 26927 2 52 52 VAL . 26927 2 53 53 THR . 26927 2 54 54 LYS . 26927 2 55 55 GLY . 26927 2 56 56 ALA . 26927 2 57 57 ALA . 26927 2 58 58 LEU . 26927 2 59 59 ARG . 26927 2 60 60 SER . 26927 2 61 61 GLY . 26927 2 62 62 GLU . 26927 2 63 63 GLY . 26927 2 64 64 ARG . 26927 2 65 65 LEU . 26927 2 66 66 ASP . 26927 2 67 67 PRO . 26927 2 68 68 TYR . 26927 2 69 69 TRP . 26927 2 70 70 GLY . 26927 2 71 71 ASP . 26927 2 72 72 VAL . 26927 2 73 73 LYS . 26927 2 74 74 GLN . 26927 2 75 75 ASP . 26927 2 76 76 LEU . 26927 2 77 77 VAL . 26927 2 78 78 SER . 26927 2 79 79 TYR . 26927 2 80 80 CYS . 26927 2 81 81 GLY . 26927 2 82 82 PRO . 26927 2 83 83 TRP . 26927 2 84 84 LYS . 26927 2 85 85 LEU . 26927 2 86 86 ASP . 26927 2 87 87 ALA . 26927 2 88 88 ALA . 26927 2 89 89 TRP . 26927 2 90 90 ASP . 26927 2 91 91 GLY . 26927 2 92 92 LEU . 26927 2 93 93 SER . 26927 2 94 94 GLU . 26927 2 95 95 VAL . 26927 2 96 96 GLN . 26927 2 97 97 LEU . 26927 2 98 98 LEU . 26927 2 99 99 ALA . 26927 2 100 100 VAL . 26927 2 101 101 PRO . 26927 2 102 102 PRO . 26927 2 103 103 GLY . 26927 2 104 104 GLU . 26927 2 105 105 ARG . 26927 2 106 106 ALA . 26927 2 107 107 LYS . 26927 2 108 108 ASN . 26927 2 109 109 ILE . 26927 2 110 110 GLN . 26927 2 111 111 THR . 26927 2 112 112 LEU . 26927 2 113 113 PRO . 26927 2 114 114 GLY . 26927 2 115 115 ILE . 26927 2 116 116 PHE . 26927 2 117 117 LYS . 26927 2 118 118 THR . 26927 2 119 119 LYS . 26927 2 120 120 ASP . 26927 2 121 121 GLY . 26927 2 122 122 ASP . 26927 2 123 123 ILE . 26927 2 124 124 GLY . 26927 2 125 125 ALA . 26927 2 126 126 VAL . 26927 2 127 127 ALA . 26927 2 128 128 LEU . 26927 2 129 129 ASP . 26927 2 130 130 TYR . 26927 2 131 131 PRO . 26927 2 132 132 ALA . 26927 2 133 133 GLY . 26927 2 134 134 THR . 26927 2 135 135 SER . 26927 2 136 136 GLY . 26927 2 137 137 SER . 26927 2 138 138 PRO . 26927 2 139 139 ILE . 26927 2 140 140 LEU . 26927 2 141 141 ASP . 26927 2 142 142 LYS . 26927 2 143 143 CYS . 26927 2 144 144 GLY . 26927 2 145 145 ARG . 26927 2 146 146 VAL . 26927 2 147 147 ILE . 26927 2 148 148 GLY . 26927 2 149 149 LEU . 26927 2 150 150 TYR . 26927 2 151 151 GLY . 26927 2 152 152 ASN . 26927 2 153 153 GLY . 26927 2 154 154 VAL . 26927 2 155 155 VAL . 26927 2 156 156 ILE . 26927 2 157 157 LYS . 26927 2 158 158 ASN . 26927 2 159 159 GLY . 26927 2 160 160 SER . 26927 2 161 161 TYR . 26927 2 162 162 VAL . 26927 2 163 163 SER . 26927 2 164 164 ALA . 26927 2 165 165 ILE . 26927 2 166 166 THR . 26927 2 167 167 GLN . 26927 2 168 168 GLY . 26927 2 169 169 LYS . 26927 2 170 170 ARG . 26927 2 171 171 GLU . 26927 2 172 172 GLU . 26927 2 173 173 GLU . 26927 2 174 174 THR . 26927 2 175 175 PRO . 26927 2 176 176 VAL . 26927 2 177 177 GLU . 26927 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 . SER 1 1 26927 2 . GLY 2 2 26927 2 . ALA 3 3 26927 2 . LEU 4 4 26927 2 . TRP 5 5 26927 2 . ASP 6 6 26927 2 . VAL 7 7 26927 2 . PRO 8 8 26927 2 . ALA 9 9 26927 2 . PRO 10 10 26927 2 . LYS 11 11 26927 2 . GLU 12 12 26927 2 . VAL 13 13 26927 2 . LYS 14 14 26927 2 . LYS 15 15 26927 2 . GLY 16 16 26927 2 . GLU 17 17 26927 2 . THR 18 18 26927 2 . THR 19 19 26927 2 . ASP 20 20 26927 2 . GLY 21 21 26927 2 . VAL 22 22 26927 2 . TYR 23 23 26927 2 . ARG 24 24 26927 2 . VAL 25 25 26927 2 . MET 26 26 26927 2 . THR 27 27 26927 2 . ARG 28 28 26927 2 . ARG 29 29 26927 2 . LEU 30 30 26927 2 . LEU 31 31 26927 2 . GLY 32 32 26927 2 . SER 33 33 26927 2 . THR 34 34 26927 2 . GLN 35 35 26927 2 . VAL 36 36 26927 2 . GLY 37 37 26927 2 . VAL 38 38 26927 2 . GLY 39 39 26927 2 . VAL 40 40 26927 2 . MET 41 41 26927 2 . GLN 42 42 26927 2 . GLU 43 43 26927 2 . GLY 44 44 26927 2 . VAL 45 45 26927 2 . PHE 46 46 26927 2 . HIS 47 47 26927 2 . THR 48 48 26927 2 . MET 49 49 26927 2 . TRP 50 50 26927 2 . HIS 51 51 26927 2 . VAL 52 52 26927 2 . THR 53 53 26927 2 . LYS 54 54 26927 2 . GLY 55 55 26927 2 . ALA 56 56 26927 2 . ALA 57 57 26927 2 . LEU 58 58 26927 2 . ARG 59 59 26927 2 . SER 60 60 26927 2 . GLY 61 61 26927 2 . GLU 62 62 26927 2 . GLY 63 63 26927 2 . ARG 64 64 26927 2 . LEU 65 65 26927 2 . ASP 66 66 26927 2 . PRO 67 67 26927 2 . TYR 68 68 26927 2 . TRP 69 69 26927 2 . GLY 70 70 26927 2 . ASP 71 71 26927 2 . VAL 72 72 26927 2 . LYS 73 73 26927 2 . GLN 74 74 26927 2 . ASP 75 75 26927 2 . LEU 76 76 26927 2 . VAL 77 77 26927 2 . SER 78 78 26927 2 . TYR 79 79 26927 2 . CYS 80 80 26927 2 . GLY 81 81 26927 2 . PRO 82 82 26927 2 . TRP 83 83 26927 2 . LYS 84 84 26927 2 . LEU 85 85 26927 2 . ASP 86 86 26927 2 . ALA 87 87 26927 2 . ALA 88 88 26927 2 . TRP 89 89 26927 2 . ASP 90 90 26927 2 . GLY 91 91 26927 2 . LEU 92 92 26927 2 . SER 93 93 26927 2 . GLU 94 94 26927 2 . VAL 95 95 26927 2 . GLN 96 96 26927 2 . LEU 97 97 26927 2 . LEU 98 98 26927 2 . ALA 99 99 26927 2 . VAL 100 100 26927 2 . PRO 101 101 26927 2 . PRO 102 102 26927 2 . GLY 103 103 26927 2 . GLU 104 104 26927 2 . ARG 105 105 26927 2 . ALA 106 106 26927 2 . LYS 107 107 26927 2 . ASN 108 108 26927 2 . ILE 109 109 26927 2 . GLN 110 110 26927 2 . THR 111 111 26927 2 . LEU 112 112 26927 2 . PRO 113 113 26927 2 . GLY 114 114 26927 2 . ILE 115 115 26927 2 . PHE 116 116 26927 2 . LYS 117 117 26927 2 . THR 118 118 26927 2 . LYS 119 119 26927 2 . ASP 120 120 26927 2 . GLY 121 121 26927 2 . ASP 122 122 26927 2 . ILE 123 123 26927 2 . GLY 124 124 26927 2 . ALA 125 125 26927 2 . VAL 126 126 26927 2 . ALA 127 127 26927 2 . LEU 128 128 26927 2 . ASP 129 129 26927 2 . TYR 130 130 26927 2 . PRO 131 131 26927 2 . ALA 132 132 26927 2 . GLY 133 133 26927 2 . THR 134 134 26927 2 . SER 135 135 26927 2 . GLY 136 136 26927 2 . SER 137 137 26927 2 . PRO 138 138 26927 2 . ILE 139 139 26927 2 . LEU 140 140 26927 2 . ASP 141 141 26927 2 . LYS 142 142 26927 2 . CYS 143 143 26927 2 . GLY 144 144 26927 2 . ARG 145 145 26927 2 . VAL 146 146 26927 2 . ILE 147 147 26927 2 . GLY 148 148 26927 2 . LEU 149 149 26927 2 . TYR 150 150 26927 2 . GLY 151 151 26927 2 . ASN 152 152 26927 2 . GLY 153 153 26927 2 . VAL 154 154 26927 2 . VAL 155 155 26927 2 . ILE 156 156 26927 2 . LYS 157 157 26927 2 . ASN 158 158 26927 2 . GLY 159 159 26927 2 . SER 160 160 26927 2 . TYR 161 161 26927 2 . VAL 162 162 26927 2 . SER 163 163 26927 2 . ALA 164 164 26927 2 . ILE 165 165 26927 2 . THR 166 166 26927 2 . GLN 167 167 26927 2 . GLY 168 168 26927 2 . LYS 169 169 26927 2 . ARG 170 170 26927 2 . GLU 171 171 26927 2 . GLU 172 172 26927 2 . GLU 173 173 26927 2 . THR 174 174 26927 2 . PRO 175 175 26927 2 . VAL 176 176 26927 2 . GLU 177 177 26927 2 stop_ save_ save_acetyl-lysine-arginine _Entity.Sf_category entity _Entity.Sf_framecode acetyl-lysine-arginine _Entity.Entry_ID 26927 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name acetyl-lysine-arginine _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 ; XKR ; _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 3 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . ACE . 26927 3 2 . LYS . 26927 3 3 . ARG . 26927 3 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 . ACE 1 1 26927 3 . LYS 2 2 26927 3 . ARG 3 3 26927 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 26927 _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 . . . . . . . . . . . . . 26927 1 2 2 $NS3_fragment . 64320 virus . 'Zika virus' 'Zika virus' . . Viruses . Zika virus . . . . . . . . . . . . . 26927 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 26927 _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 . . . 26927 1 2 2 $NS3_fragment . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 26927 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 26927 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _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 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _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 SMILES CACTVS 3.341 26927 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 26927 ACE CC=O SMILES_CANONICAL CACTVS 3.341 26927 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26927 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 26927 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 26927 ACE O=CC SMILES ACDLabs 10.04 26927 ACE 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 acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 26927 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26927 ACE 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 C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 26927 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 26927 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 26927 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 26927 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 26927 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 26927 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 26927 ACE 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 C O no N 1 . 26927 ACE 2 . SING C CH3 no N 2 . 26927 ACE 3 . SING C H no N 3 . 26927 ACE 4 . SING CH3 H1 no N 4 . 26927 ACE 5 . SING CH3 H2 no N 5 . 26927 ACE 6 . SING CH3 H3 no N 6 . 26927 ACE stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26927 _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 . . . . 26927 1 2 'NS3 fragment' '[U-13C; U-15N; U-2H]' . . 2 $NS3_fragment . . 0.8 . . mM . . . . 26927 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26927 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26927 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26927 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 26927 _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 26927 1 pH 7.3 . pH 26927 1 pressure 1 . atm 26927 1 temperature 298 . K 26927 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26927 _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' . . 26927 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26927 1 'Johnson, One Moon Scientific' . . 26927 1 'Keller and Wuthrich' . . 26927 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26927 1 processing 26927 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 26927 _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 26927 _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 . . . 26927 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 26927 _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 . . . . . . . . . . . . . . . . 26927 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26927 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 26927 _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 . . . . . 26927 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 1.000000000 . . . . . 26927 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 26927 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 26927 _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' . . . 26927 1 2 '3D HNCACB' . . . 26927 1 4 '3D HNCA' . . . 26927 1 6 '3D HNCO' . . . 26927 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 . . 26927 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 29 29 TYR C C 13 175.508 0.300 . 1 . . . . 52 TYR C . 26927 1 2 . 1 1 29 29 TYR CA C 13 57.690 0.300 . 1 . . . . 52 TYR CA . 26927 1 3 . 1 1 30 30 ILE H H 1 7.814 0.020 . 1 . . . . 53 ILE H . 26927 1 4 . 1 1 30 30 ILE CA C 13 60.470 0.300 . 1 . . . . 53 ILE CA . 26927 1 5 . 1 1 30 30 ILE CB C 13 37.857 0.300 . 1 . . . . 53 ILE CB . 26927 1 6 . 1 1 30 30 ILE N N 15 123.418 0.300 . 1 . . . . 53 ILE N . 26927 1 7 . 1 1 31 31 GLU H H 1 8.388 0.020 . 1 . . . . 54 GLU H . 26927 1 8 . 1 1 31 31 GLU CA C 13 56.188 0.300 . 1 . . . . 54 GLU CA . 26927 1 9 . 1 1 31 31 GLU CB C 13 29.218 0.300 . 1 . . . . 54 GLU CB . 26927 1 10 . 1 1 31 31 GLU N N 15 124.673 0.300 . 1 . . . . 54 GLU N . 26927 1 11 . 1 1 33 33 ALA C C 13 178.270 0.300 . 1 . . . . 56 ALA C . 26927 1 12 . 1 1 33 33 ALA CA C 13 52.446 0.300 . 1 . . . . 56 ALA CA . 26927 1 13 . 1 1 33 33 ALA CB C 13 18.276 0.300 . 1 . . . . 56 ALA CB . 26927 1 14 . 1 1 34 34 GLY H H 1 8.376 0.020 . 1 . . . . 57 GLY H . 26927 1 15 . 1 1 34 34 GLY CA C 13 44.818 0.300 . 1 . . . . 57 GLY CA . 26927 1 16 . 1 1 34 34 GLY N N 15 107.967 0.300 . 1 . . . . 57 GLY N . 26927 1 17 . 1 1 35 35 ASP H H 1 7.990 0.020 . 1 . . . . 58 ASP H . 26927 1 18 . 1 1 35 35 ASP CA C 13 54.886 0.300 . 1 . . . . 58 ASP CA . 26927 1 19 . 1 1 35 35 ASP CB C 13 41.524 0.300 . 1 . . . . 58 ASP CB . 26927 1 20 . 1 1 35 35 ASP N N 15 121.024 0.300 . 1 . . . . 58 ASP N . 26927 1 21 . 1 1 36 36 ILE H H 1 8.094 0.020 . 1 . . . . 59 ILE H . 26927 1 22 . 1 1 36 36 ILE CA C 13 60.794 0.300 . 1 . . . . 59 ILE CA . 26927 1 23 . 1 1 36 36 ILE CB C 13 37.824 0.300 . 1 . . . . 59 ILE CB . 26927 1 24 . 1 1 36 36 ILE N N 15 120.827 0.300 . 1 . . . . 59 ILE N . 26927 1 25 . 1 1 37 37 THR H H 1 8.125 0.020 . 1 . . . . 60 THR H . 26927 1 26 . 1 1 37 37 THR C C 13 174.138 0.300 . 1 . . . . 60 THR C . 26927 1 27 . 1 1 37 37 THR CA C 13 61.405 0.300 . 1 . . . . 60 THR CA . 26927 1 28 . 1 1 37 37 THR CB C 13 69.216 0.300 . 1 . . . . 60 THR CB . 26927 1 29 . 1 1 37 37 THR N N 15 117.656 0.300 . 1 . . . . 60 THR N . 26927 1 30 . 1 1 38 38 TRP H H 1 8.063 0.020 . 1 . . . . 61 TRP H . 26927 1 31 . 1 1 38 38 TRP C C 13 176.031 0.300 . 1 . . . . 61 TRP C . 26927 1 32 . 1 1 38 38 TRP CA C 13 56.824 0.300 . 1 . . . . 61 TRP CA . 26927 1 33 . 1 1 38 38 TRP CB C 13 29.257 0.300 . 1 . . . . 61 TRP CB . 26927 1 34 . 1 1 38 38 TRP N N 15 123.307 0.300 . 1 . . . . 61 TRP N . 26927 1 35 . 1 1 39 39 GLU H H 1 8.219 0.020 . 1 . . . . 62 GLU H . 26927 1 36 . 1 1 39 39 GLU C C 13 176.148 0.300 . 1 . . . . 62 GLU C . 26927 1 37 . 1 1 39 39 GLU CA C 13 55.908 0.300 . 1 . . . . 62 GLU CA . 26927 1 38 . 1 1 39 39 GLU CB C 13 29.327 0.300 . 1 . . . . 62 GLU CB . 26927 1 39 . 1 1 39 39 GLU N N 15 122.625 0.300 . 1 . . . . 62 GLU N . 26927 1 40 . 1 1 40 40 LYS H H 1 8.118 0.020 . 1 . . . . 63 LYS H . 26927 1 41 . 1 1 40 40 LYS CA C 13 56.138 0.300 . 1 . . . . 63 LYS CA . 26927 1 42 . 1 1 40 40 LYS CB C 13 32.399 0.300 . 1 . . . . 63 LYS CB . 26927 1 43 . 1 1 40 40 LYS N N 15 121.797 0.300 . 1 . . . . 63 LYS N . 26927 1 44 . 1 1 41 41 ASP H H 1 8.345 0.020 . 1 . . . . 64 ASP H . 26927 1 45 . 1 1 41 41 ASP CA C 13 54.291 0.300 . 1 . . . . 64 ASP CA . 26927 1 46 . 1 1 41 41 ASP CB C 13 40.485 0.300 . 1 . . . . 64 ASP CB . 26927 1 47 . 1 1 41 41 ASP N N 15 121.034 0.300 . 1 . . . . 64 ASP N . 26927 1 48 . 1 1 42 42 ALA H H 1 8.123 0.020 . 1 . . . . 65 ALA H . 26927 1 49 . 1 1 42 42 ALA C C 13 177.846 0.300 . 1 . . . . 65 ALA C . 26927 1 50 . 1 1 42 42 ALA CA C 13 52.220 0.300 . 1 . . . . 65 ALA CA . 26927 1 51 . 1 1 42 42 ALA CB C 13 18.475 0.300 . 1 . . . . 65 ALA CB . 26927 1 52 . 1 1 42 42 ALA N N 15 123.589 0.300 . 1 . . . . 65 ALA N . 26927 1 53 . 1 1 43 43 GLU H H 1 8.341 0.020 . 1 . . . . 66 GLU H . 26927 1 54 . 1 1 43 43 GLU CA C 13 56.167 0.300 . 1 . . . . 66 GLU CA . 26927 1 55 . 1 1 43 43 GLU CB C 13 29.094 0.300 . 1 . . . . 66 GLU CB . 26927 1 56 . 1 1 43 43 GLU N N 15 119.757 0.300 . 1 . . . . 66 GLU N . 26927 1 57 . 1 1 44 44 VAL H H 1 8.169 0.020 . 1 . . . . 67 VAL H . 26927 1 58 . 1 1 44 44 VAL C C 13 176.665 0.300 . 1 . . . . 67 VAL C . 26927 1 59 . 1 1 44 44 VAL CA C 13 62.040 0.300 . 1 . . . . 67 VAL CA . 26927 1 60 . 1 1 44 44 VAL CB C 13 32.174 0.300 . 1 . . . . 67 VAL CB . 26927 1 61 . 1 1 44 44 VAL N N 15 120.991 0.300 . 1 . . . . 67 VAL N . 26927 1 62 . 1 1 45 45 THR H H 1 8.235 0.020 . 1 . . . . 68 THR H . 26927 1 63 . 1 1 45 45 THR C C 13 175.300 0.300 . 1 . . . . 68 THR C . 26927 1 64 . 1 1 45 45 THR CA C 13 61.631 0.300 . 1 . . . . 68 THR CA . 26927 1 65 . 1 1 45 45 THR CB C 13 69.313 0.300 . 1 . . . . 68 THR CB . 26927 1 66 . 1 1 45 45 THR N N 15 117.141 0.300 . 1 . . . . 68 THR N . 26927 1 67 . 1 1 46 46 GLY H H 1 8.363 0.020 . 1 . . . . 69 GLY H . 26927 1 68 . 1 1 46 46 GLY CA C 13 44.979 0.300 . 1 . . . . 69 GLY CA . 26927 1 69 . 1 1 46 46 GLY N N 15 110.634 0.300 . 1 . . . . 69 GLY N . 26927 1 70 . 1 1 50 50 ARG C C 13 176.169 0.300 . 1 . . . . 73 ARG C . 26927 1 71 . 1 1 50 50 ARG CA C 13 55.461 0.300 . 1 . . . . 73 ARG CA . 26927 1 72 . 1 1 51 51 LEU H H 1 8.381 0.020 . 1 . . . . 74 LEU H . 26927 1 73 . 1 1 51 51 LEU CA C 13 54.500 0.300 . 1 . . . . 74 LEU CA . 26927 1 74 . 1 1 51 51 LEU CB C 13 41.414 0.300 . 1 . . . . 74 LEU CB . 26927 1 75 . 1 1 51 51 LEU N N 15 123.850 0.300 . 1 . . . . 74 LEU N . 26927 1 76 . 1 1 52 52 ASP H H 1 8.437 0.020 . 1 . . . . 75 ASP H . 26927 1 77 . 1 1 52 52 ASP C C 13 175.883 0.300 . 1 . . . . 75 ASP C . 26927 1 78 . 1 1 52 52 ASP CA C 13 53.809 0.300 . 1 . . . . 75 ASP CA . 26927 1 79 . 1 1 52 52 ASP CB C 13 40.662 0.300 . 1 . . . . 75 ASP CB . 26927 1 80 . 1 1 52 52 ASP N N 15 121.233 0.300 . 1 . . . . 75 ASP N . 26927 1 81 . 1 1 53 53 VAL H H 1 7.892 0.020 . 1 . . . . 76 VAL H . 26927 1 82 . 1 1 53 53 VAL C C 13 175.606 0.300 . 1 . . . . 76 VAL C . 26927 1 83 . 1 1 53 53 VAL CA C 13 61.389 0.300 . 1 . . . . 76 VAL CA . 26927 1 84 . 1 1 53 53 VAL CB C 13 32.330 0.300 . 1 . . . . 76 VAL CB . 26927 1 85 . 1 1 53 53 VAL N N 15 119.288 0.300 . 1 . . . . 76 VAL N . 26927 1 86 . 1 1 54 54 ALA H H 1 8.373 0.020 . 1 . . . . 77 ALA H . 26927 1 87 . 1 1 54 54 ALA C C 13 177.547 0.300 . 1 . . . . 77 ALA C . 26927 1 88 . 1 1 54 54 ALA CA C 13 51.803 0.300 . 1 . . . . 77 ALA CA . 26927 1 89 . 1 1 54 54 ALA CB C 13 18.349 0.300 . 1 . . . . 77 ALA CB . 26927 1 90 . 1 1 54 54 ALA N N 15 127.393 0.300 . 1 . . . . 77 ALA N . 26927 1 91 . 1 1 55 55 LEU H H 1 8.231 0.020 . 1 . . . . 78 LEU H . 26927 1 92 . 1 1 55 55 LEU C C 13 176.880 0.300 . 1 . . . . 78 LEU C . 26927 1 93 . 1 1 55 55 LEU CA C 13 54.633 0.300 . 1 . . . . 78 LEU CA . 26927 1 94 . 1 1 55 55 LEU CB C 13 41.635 0.300 . 1 . . . . 78 LEU CB . 26927 1 95 . 1 1 55 55 LEU N N 15 121.699 0.300 . 1 . . . . 78 LEU N . 26927 1 96 . 1 1 56 56 ASP H H 1 8.331 0.020 . 1 . . . . 79 ASP H . 26927 1 97 . 1 1 56 56 ASP CA C 13 53.762 0.300 . 1 . . . . 79 ASP CA . 26927 1 98 . 1 1 56 56 ASP CB C 13 40.537 0.300 . 1 . . . . 79 ASP CB . 26927 1 99 . 1 1 56 56 ASP N N 15 120.815 0.300 . 1 . . . . 79 ASP N . 26927 1 100 . 1 1 57 57 GLU C C 13 176.796 0.300 . 1 . . . . 80 GLU C . 26927 1 101 . 1 1 57 57 GLU CA C 13 56.074 0.300 . 1 . . . . 80 GLU CA . 26927 1 102 . 1 1 57 57 GLU CB C 13 28.994 0.300 . 1 . . . . 80 GLU CB . 26927 1 103 . 1 1 58 58 SER H H 1 8.410 0.020 . 1 . . . . 81 SER H . 26927 1 104 . 1 1 58 58 SER C C 13 175.202 0.300 . 1 . . . . 81 SER C . 26927 1 105 . 1 1 58 58 SER CA C 13 58.672 0.300 . 1 . . . . 81 SER CA . 26927 1 106 . 1 1 58 58 SER CB C 13 63.580 0.300 . 1 . . . . 81 SER CB . 26927 1 107 . 1 1 58 58 SER N N 15 116.460 0.300 . 1 . . . . 81 SER N . 26927 1 108 . 1 1 59 59 GLY H H 1 8.307 0.020 . 1 . . . . 82 GLY H . 26927 1 109 . 1 1 59 59 GLY C C 13 173.598 0.300 . 1 . . . . 82 GLY C . 26927 1 110 . 1 1 59 59 GLY CA C 13 44.836 0.300 . 1 . . . . 82 GLY CA . 26927 1 111 . 1 1 59 59 GLY N N 15 110.422 0.300 . 1 . . . . 82 GLY N . 26927 1 112 . 1 1 60 60 ASP H H 1 8.133 0.020 . 1 . . . . 83 ASP H . 26927 1 113 . 1 1 60 60 ASP C C 13 176.049 0.300 . 1 . . . . 83 ASP C . 26927 1 114 . 1 1 60 60 ASP CA C 13 53.813 0.300 . 1 . . . . 83 ASP CA . 26927 1 115 . 1 1 60 60 ASP CB C 13 40.535 0.300 . 1 . . . . 83 ASP CB . 26927 1 116 . 1 1 60 60 ASP N N 15 120.229 0.300 . 1 . . . . 83 ASP N . 26927 1 117 . 1 1 61 61 PHE H H 1 8.211 0.020 . 1 . . . . 84 PHE H . 26927 1 118 . 1 1 61 61 PHE C C 13 175.716 0.300 . 1 . . . . 84 PHE C . 26927 1 119 . 1 1 61 61 PHE CA C 13 57.260 0.300 . 1 . . . . 84 PHE CA . 26927 1 120 . 1 1 61 61 PHE CB C 13 38.742 0.300 . 1 . . . . 84 PHE CB . 26927 1 121 . 1 1 61 61 PHE N N 15 120.891 0.300 . 1 . . . . 84 PHE N . 26927 1 122 . 1 1 62 62 SER H H 1 8.228 0.020 . 1 . . . . 85 SER H . 26927 1 123 . 1 1 62 62 SER C C 13 174.141 0.300 . 1 . . . . 85 SER C . 26927 1 124 . 1 1 62 62 SER CA C 13 58.047 0.300 . 1 . . . . 85 SER CA . 26927 1 125 . 1 1 62 62 SER CB C 13 63.504 0.300 . 1 . . . . 85 SER CB . 26927 1 126 . 1 1 62 62 SER N N 15 117.345 0.300 . 1 . . . . 85 SER N . 26927 1 127 . 1 1 63 63 LEU H H 1 8.213 0.020 . 1 . . . . 86 LEU H . 26927 1 128 . 1 1 63 63 LEU C C 13 177.112 0.300 . 1 . . . . 86 LEU C . 26927 1 129 . 1 1 63 63 LEU CA C 13 54.701 0.300 . 1 . . . . 86 LEU CA . 26927 1 130 . 1 1 63 63 LEU CB C 13 41.341 0.300 . 1 . . . . 86 LEU CB . 26927 1 131 . 1 1 63 63 LEU N N 15 124.095 0.300 . 1 . . . . 86 LEU N . 26927 1 132 . 1 1 64 64 VAL H H 1 8.093 0.020 . 1 . . . . 87 VAL H . 26927 1 133 . 1 1 64 64 VAL C C 13 176.038 0.300 . 1 . . . . 87 VAL C . 26927 1 134 . 1 1 64 64 VAL CA C 13 61.769 0.300 . 1 . . . . 87 VAL CA . 26927 1 135 . 1 1 64 64 VAL CB C 13 32.272 0.300 . 1 . . . . 87 VAL CB . 26927 1 136 . 1 1 64 64 VAL N N 15 121.317 0.300 . 1 . . . . 87 VAL N . 26927 1 137 . 1 1 65 65 GLU H H 1 8.508 0.020 . 1 . . . . 88 GLU H . 26927 1 138 . 1 1 65 65 GLU C C 13 176.360 0.300 . 1 . . . . 88 GLU C . 26927 1 139 . 1 1 65 65 GLU CA C 13 55.873 0.300 . 1 . . . . 88 GLU CA . 26927 1 140 . 1 1 65 65 GLU CB C 13 29.419 0.300 . 1 . . . . 88 GLU CB . 26927 1 141 . 1 1 65 65 GLU N N 15 125.169 0.300 . 1 . . . . 88 GLU N . 26927 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 26927 _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' . . . 26927 2 2 '3D HNCACB' . . . 26927 2 4 '3D HNCA' . . . 26927 2 6 '3D HNCO' . . . 26927 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 . . 26927 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 . 1 1 25 25 SER C C 13 174.182 0.300 . 1 . . . . 248 SER C . 26927 2 2 . 1 1 25 25 SER CA C 13 57.948 0.300 . 1 . . . . 248 SER CA . 26927 2 3 . 1 1 25 25 SER CB C 13 63.770 0.300 . 1 . . . . 248 SER CB . 26927 2 4 . 1 1 26 26 VAL H H 1 8.297 0.020 . 1 . . . . 249 VAL H . 26927 2 5 . 1 1 26 26 VAL C C 13 175.260 0.300 . 1 . . . . 249 VAL C . 26927 2 6 . 1 1 26 26 VAL CA C 13 61.520 0.300 . 1 . . . . 249 VAL CA . 26927 2 7 . 1 1 26 26 VAL CB C 13 32.297 0.300 . 1 . . . . 249 VAL CB . 26927 2 8 . 1 1 26 26 VAL N N 15 122.294 0.300 . 1 . . . . 249 VAL N . 26927 2 9 . 1 1 27 27 ASP H H 1 8.562 0.020 . 1 . . . . 250 ASP H . 26927 2 10 . 1 1 27 27 ASP C C 13 175.088 0.300 . 1 . . . . 250 ASP C . 26927 2 11 . 1 1 27 27 ASP CA C 13 53.944 0.300 . 1 . . . . 250 ASP CA . 26927 2 12 . 1 1 27 27 ASP CB C 13 41.180 0.300 . 1 . . . . 250 ASP CB . 26927 2 13 . 1 1 27 27 ASP N N 15 125.720 0.300 . 1 . . . . 250 ASP N . 26927 2 14 . 1 1 28 28 MET H H 1 8.282 0.020 . 1 . . . . 251 MET H . 26927 2 15 . 1 1 28 28 MET C C 13 175.215 0.300 . 1 . . . . 251 MET C . 26927 2 16 . 1 1 28 28 MET CA C 13 54.586 0.300 . 1 . . . . 251 MET CA . 26927 2 17 . 1 1 28 28 MET CB C 13 35.377 0.300 . 1 . . . . 251 MET CB . 26927 2 18 . 1 1 28 28 MET N N 15 122.082 0.300 . 1 . . . . 251 MET N . 26927 2 19 . 1 1 29 29 TYR H H 1 9.076 0.020 . 1 . . . . 252 TYR H . 26927 2 20 . 1 1 29 29 TYR C C 13 172.614 0.300 . 1 . . . . 252 TYR C . 26927 2 21 . 1 1 29 29 TYR CA C 13 54.582 0.300 . 1 . . . . 252 TYR CA . 26927 2 22 . 1 1 29 29 TYR CB C 13 40.920 0.300 . 1 . . . . 252 TYR CB . 26927 2 23 . 1 1 29 29 TYR N N 15 120.112 0.300 . 1 . . . . 252 TYR N . 26927 2 24 . 1 1 30 30 ILE H H 1 8.058 0.020 . 1 . . . . 253 ILE H . 26927 2 25 . 1 1 30 30 ILE C C 13 175.871 0.300 . 1 . . . . 253 ILE C . 26927 2 26 . 1 1 30 30 ILE CA C 13 57.653 0.300 . 1 . . . . 253 ILE CA . 26927 2 27 . 1 1 30 30 ILE CB C 13 40.116 0.300 . 1 . . . . 253 ILE CB . 26927 2 28 . 1 1 30 30 ILE N N 15 109.730 0.300 . 1 . . . . 253 ILE N . 26927 2 29 . 1 1 31 31 GLU H H 1 8.646 0.020 . 1 . . . . 254 GLU H . 26927 2 30 . 1 1 31 31 GLU C C 13 174.941 0.300 . 1 . . . . 254 GLU C . 26927 2 31 . 1 1 31 31 GLU CA C 13 54.305 0.300 . 1 . . . . 254 GLU CA . 26927 2 32 . 1 1 31 31 GLU CB C 13 33.524 0.300 . 1 . . . . 254 GLU CB . 26927 2 33 . 1 1 31 31 GLU N N 15 121.240 0.300 . 1 . . . . 254 GLU N . 26927 2 34 . 1 1 32 32 ARG H H 1 9.326 0.020 . 1 . . . . 255 ARG H . 26927 2 35 . 1 1 32 32 ARG C C 13 175.749 0.300 . 1 . . . . 255 ARG C . 26927 2 36 . 1 1 32 32 ARG CA C 13 58.705 0.300 . 1 . . . . 255 ARG CA . 26927 2 37 . 1 1 32 32 ARG CB C 13 28.739 0.300 . 1 . . . . 255 ARG CB . 26927 2 38 . 1 1 32 32 ARG N N 15 130.007 0.300 . 1 . . . . 255 ARG N . 26927 2 39 . 1 1 33 33 ALA H H 1 9.638 0.020 . 1 . . . . 256 ALA H . 26927 2 40 . 1 1 33 33 ALA C C 13 176.807 0.300 . 1 . . . . 256 ALA C . 26927 2 41 . 1 1 33 33 ALA CA C 13 51.109 0.300 . 1 . . . . 256 ALA CA . 26927 2 42 . 1 1 33 33 ALA CB C 13 19.872 0.300 . 1 . . . . 256 ALA CB . 26927 2 43 . 1 1 33 33 ALA N N 15 128.279 0.300 . 1 . . . . 256 ALA N . 26927 2 44 . 1 1 34 34 GLY H H 1 7.158 0.020 . 1 . . . . 257 GLY H . 26927 2 45 . 1 1 34 34 GLY C C 13 171.208 0.300 . 1 . . . . 257 GLY C . 26927 2 46 . 1 1 34 34 GLY CA C 13 44.803 0.300 . 1 . . . . 257 GLY CA . 26927 2 47 . 1 1 34 34 GLY N N 15 103.452 0.300 . 1 . . . . 257 GLY N . 26927 2 48 . 1 1 35 35 ASP H H 1 8.317 0.020 . 1 . . . . 258 ASP H . 26927 2 49 . 1 1 35 35 ASP C C 13 175.477 0.300 . 1 . . . . 258 ASP C . 26927 2 50 . 1 1 35 35 ASP CA C 13 53.068 0.300 . 1 . . . . 258 ASP CA . 26927 2 51 . 1 1 35 35 ASP CB C 13 41.834 0.300 . 1 . . . . 258 ASP CB . 26927 2 52 . 1 1 35 35 ASP N N 15 118.248 0.300 . 1 . . . . 258 ASP N . 26927 2 53 . 1 1 36 36 ILE H H 1 8.764 0.020 . 1 . . . . 259 ILE H . 26927 2 54 . 1 1 36 36 ILE C C 13 174.960 0.300 . 1 . . . . 259 ILE C . 26927 2 55 . 1 1 36 36 ILE CA C 13 61.350 0.300 . 1 . . . . 259 ILE CA . 26927 2 56 . 1 1 36 36 ILE CB C 13 36.474 0.300 . 1 . . . . 259 ILE CB . 26927 2 57 . 1 1 36 36 ILE N N 15 119.640 0.300 . 1 . . . . 259 ILE N . 26927 2 58 . 1 1 37 37 THR H H 1 6.925 0.020 . 1 . . . . 260 THR H . 26927 2 59 . 1 1 37 37 THR C C 13 171.692 0.300 . 1 . . . . 260 THR C . 26927 2 60 . 1 1 37 37 THR CA C 13 59.087 0.300 . 1 . . . . 260 THR CA . 26927 2 61 . 1 1 37 37 THR CB C 13 70.988 0.300 . 1 . . . . 260 THR CB . 26927 2 62 . 1 1 37 37 THR N N 15 118.337 0.300 . 1 . . . . 260 THR N . 26927 2 63 . 1 1 38 38 TRP H H 1 8.608 0.020 . 1 . . . . 261 TRP H . 26927 2 64 . 1 1 38 38 TRP C C 13 175.631 0.300 . 1 . . . . 261 TRP C . 26927 2 65 . 1 1 38 38 TRP CA C 13 56.485 0.300 . 1 . . . . 261 TRP CA . 26927 2 66 . 1 1 38 38 TRP CB C 13 28.672 0.300 . 1 . . . . 261 TRP CB . 26927 2 67 . 1 1 38 38 TRP N N 15 123.538 0.300 . 1 . . . . 261 TRP N . 26927 2 68 . 1 1 39 39 GLU H H 1 8.567 0.020 . 1 . . . . 262 GLU H . 26927 2 69 . 1 1 39 39 GLU C C 13 176.295 0.300 . 1 . . . . 262 GLU C . 26927 2 70 . 1 1 39 39 GLU CA C 13 53.953 0.300 . 1 . . . . 262 GLU CA . 26927 2 71 . 1 1 39 39 GLU CB C 13 30.377 0.300 . 1 . . . . 262 GLU CB . 26927 2 72 . 1 1 39 39 GLU N N 15 130.769 0.300 . 1 . . . . 262 GLU N . 26927 2 73 . 1 1 40 40 LYS H H 1 8.897 0.020 . 1 . . . . 263 LYS H . 26927 2 74 . 1 1 40 40 LYS C C 13 176.653 0.300 . 1 . . . . 263 LYS C . 26927 2 75 . 1 1 40 40 LYS CA C 13 58.116 0.300 . 1 . . . . 263 LYS CA . 26927 2 76 . 1 1 40 40 LYS CB C 13 31.093 0.300 . 1 . . . . 263 LYS CB . 26927 2 77 . 1 1 40 40 LYS N N 15 127.761 0.300 . 1 . . . . 263 LYS N . 26927 2 78 . 1 1 41 41 ASP H H 1 8.674 0.020 . 1 . . . . 264 ASP H . 26927 2 79 . 1 1 41 41 ASP C C 13 174.923 0.300 . 1 . . . . 264 ASP C . 26927 2 80 . 1 1 41 41 ASP CA C 13 53.728 0.300 . 1 . . . . 264 ASP CA . 26927 2 81 . 1 1 41 41 ASP CB C 13 39.003 0.300 . 1 . . . . 264 ASP CB . 26927 2 82 . 1 1 41 41 ASP N N 15 118.472 0.300 . 1 . . . . 264 ASP N . 26927 2 83 . 1 1 42 42 ALA H H 1 7.049 0.020 . 1 . . . . 265 ALA H . 26927 2 84 . 1 1 42 42 ALA C C 13 177.087 0.300 . 1 . . . . 265 ALA C . 26927 2 85 . 1 1 42 42 ALA CA C 13 51.869 0.300 . 1 . . . . 265 ALA CA . 26927 2 86 . 1 1 42 42 ALA CB C 13 18.975 0.300 . 1 . . . . 265 ALA CB . 26927 2 87 . 1 1 42 42 ALA N N 15 121.536 0.300 . 1 . . . . 265 ALA N . 26927 2 88 . 1 1 43 43 GLU H H 1 8.288 0.020 . 1 . . . . 266 GLU H . 26927 2 89 . 1 1 43 43 GLU C C 13 174.206 0.300 . 1 . . . . 266 GLU C . 26927 2 90 . 1 1 43 43 GLU CA C 13 56.026 0.300 . 1 . . . . 266 GLU CA . 26927 2 91 . 1 1 43 43 GLU CB C 13 29.917 0.300 . 1 . . . . 266 GLU CB . 26927 2 92 . 1 1 43 43 GLU N N 15 121.446 0.300 . 1 . . . . 266 GLU N . 26927 2 93 . 1 1 44 44 VAL H H 1 8.207 0.020 . 1 . . . . 267 VAL H . 26927 2 94 . 1 1 44 44 VAL C C 13 176.901 0.300 . 1 . . . . 267 VAL C . 26927 2 95 . 1 1 44 44 VAL CA C 13 60.280 0.300 . 1 . . . . 267 VAL CA . 26927 2 96 . 1 1 44 44 VAL CB C 13 32.307 0.300 . 1 . . . . 267 VAL CB . 26927 2 97 . 1 1 44 44 VAL N N 15 123.742 0.300 . 1 . . . . 267 VAL N . 26927 2 98 . 1 1 45 45 THR H H 1 8.856 0.020 . 1 . . . . 268 THR H . 26927 2 99 . 1 1 45 45 THR C C 13 173.313 0.300 . 1 . . . . 268 THR C . 26927 2 100 . 1 1 45 45 THR CA C 13 60.452 0.300 . 1 . . . . 268 THR CA . 26927 2 101 . 1 1 45 45 THR CB C 13 69.410 0.300 . 1 . . . . 268 THR CB . 26927 2 102 . 1 1 45 45 THR N N 15 121.915 0.300 . 1 . . . . 268 THR N . 26927 2 103 . 1 1 46 46 GLY H H 1 8.176 0.020 . 1 . . . . 269 GLY H . 26927 2 104 . 1 1 46 46 GLY C C 13 173.408 0.300 . 1 . . . . 269 GLY C . 26927 2 105 . 1 1 46 46 GLY CA C 13 43.855 0.300 . 1 . . . . 269 GLY CA . 26927 2 106 . 1 1 46 46 GLY N N 15 110.198 0.300 . 1 . . . . 269 GLY N . 26927 2 107 . 1 1 47 47 ASN H H 1 7.859 0.020 . 1 . . . . 270 ASN H . 26927 2 108 . 1 1 47 47 ASN C C 13 172.864 0.300 . 1 . . . . 270 ASN C . 26927 2 109 . 1 1 47 47 ASN CA C 13 51.853 0.300 . 1 . . . . 270 ASN CA . 26927 2 110 . 1 1 47 47 ASN CB C 13 38.773 0.300 . 1 . . . . 270 ASN CB . 26927 2 111 . 1 1 47 47 ASN N N 15 119.153 0.300 . 1 . . . . 270 ASN N . 26927 2 112 . 1 1 48 48 SER H H 1 8.226 0.020 . 1 . . . . 271 SER H . 26927 2 113 . 1 1 48 48 SER CA C 13 54.464 0.300 . 1 . . . . 271 SER CA . 26927 2 114 . 1 1 48 48 SER CB C 13 62.547 0.300 . 1 . . . . 271 SER CB . 26927 2 115 . 1 1 48 48 SER N N 15 113.089 0.300 . 1 . . . . 271 SER N . 26927 2 116 . 1 1 49 49 PRO C C 13 175.227 0.300 . 1 . . . . 272 PRO C . 26927 2 117 . 1 1 49 49 PRO CA C 13 62.169 0.300 . 1 . . . . 272 PRO CA . 26927 2 118 . 1 1 49 49 PRO CB C 13 31.948 0.300 . 1 . . . . 272 PRO CB . 26927 2 119 . 1 1 50 50 ARG H H 1 8.419 0.020 . 1 . . . . 273 ARG H . 26927 2 120 . 1 1 50 50 ARG C C 13 175.295 0.300 . 1 . . . . 273 ARG C . 26927 2 121 . 1 1 50 50 ARG CA C 13 55.124 0.300 . 1 . . . . 273 ARG CA . 26927 2 122 . 1 1 50 50 ARG CB C 13 29.825 0.300 . 1 . . . . 273 ARG CB . 26927 2 123 . 1 1 50 50 ARG N N 15 120.186 0.300 . 1 . . . . 273 ARG N . 26927 2 124 . 1 1 51 51 LEU H H 1 8.486 0.020 . 1 . . . . 274 LEU H . 26927 2 125 . 1 1 51 51 LEU C C 13 174.743 0.300 . 1 . . . . 274 LEU C . 26927 2 126 . 1 1 51 51 LEU CA C 13 52.963 0.300 . 1 . . . . 274 LEU CA . 26927 2 127 . 1 1 51 51 LEU CB C 13 45.270 0.300 . 1 . . . . 274 LEU CB . 26927 2 128 . 1 1 51 51 LEU N N 15 124.396 0.300 . 1 . . . . 274 LEU N . 26927 2 129 . 1 1 52 52 ASP H H 1 8.635 0.020 . 1 . . . . 275 ASP H . 26927 2 130 . 1 1 52 52 ASP C C 13 175.608 0.300 . 1 . . . . 275 ASP C . 26927 2 131 . 1 1 52 52 ASP CA C 13 54.066 0.300 . 1 . . . . 275 ASP CA . 26927 2 132 . 1 1 52 52 ASP CB C 13 40.651 0.300 . 1 . . . . 275 ASP CB . 26927 2 133 . 1 1 52 52 ASP N N 15 123.828 0.300 . 1 . . . . 275 ASP N . 26927 2 134 . 1 1 53 53 VAL H H 1 8.216 0.020 . 1 . . . . 276 VAL H . 26927 2 135 . 1 1 53 53 VAL C C 13 173.848 0.300 . 1 . . . . 276 VAL C . 26927 2 136 . 1 1 53 53 VAL CA C 13 58.637 0.300 . 1 . . . . 276 VAL CA . 26927 2 137 . 1 1 53 53 VAL CB C 13 36.376 0.300 . 1 . . . . 276 VAL CB . 26927 2 138 . 1 1 53 53 VAL N N 15 117.097 0.300 . 1 . . . . 276 VAL N . 26927 2 139 . 1 1 54 54 ALA H H 1 8.961 0.020 . 1 . . . . 277 ALA H . 26927 2 140 . 1 1 54 54 ALA C C 13 174.704 0.300 . 1 . . . . 277 ALA C . 26927 2 141 . 1 1 54 54 ALA CA C 13 50.107 0.300 . 1 . . . . 277 ALA CA . 26927 2 142 . 1 1 54 54 ALA CB C 13 20.905 0.300 . 1 . . . . 277 ALA CB . 26927 2 143 . 1 1 54 54 ALA N N 15 123.276 0.300 . 1 . . . . 277 ALA N . 26927 2 144 . 1 1 55 55 LEU H H 1 8.499 0.020 . 1 . . . . 278 LEU H . 26927 2 145 . 1 1 55 55 LEU CA C 13 53.101 0.300 . 1 . . . . 278 LEU CA . 26927 2 146 . 1 1 55 55 LEU CB C 13 43.743 0.300 . 1 . . . . 278 LEU CB . 26927 2 147 . 1 1 55 55 LEU N N 15 124.176 0.300 . 1 . . . . 278 LEU N . 26927 2 148 . 1 1 56 56 ASP C C 13 177.067 0.300 . 1 . . . . 279 ASP C . 26927 2 149 . 1 1 57 57 GLU H H 1 8.233 0.020 . 1 . . . . 280 GLU H . 26927 2 150 . 1 1 57 57 GLU C C 13 177.085 0.300 . 1 . . . . 280 GLU C . 26927 2 151 . 1 1 57 57 GLU CA C 13 55.454 0.300 . 1 . . . . 280 GLU CA . 26927 2 152 . 1 1 57 57 GLU N N 15 114.198 0.300 . 1 . . . . 280 GLU N . 26927 2 153 . 1 1 58 58 SER H H 1 8.089 0.020 . 1 . . . . 281 SER H . 26927 2 154 . 1 1 58 58 SER C C 13 173.800 0.300 . 1 . . . . 281 SER C . 26927 2 155 . 1 1 58 58 SER CA C 13 57.605 0.300 . 1 . . . . 281 SER CA . 26927 2 156 . 1 1 58 58 SER CB C 13 63.201 0.300 . 1 . . . . 281 SER CB . 26927 2 157 . 1 1 58 58 SER N N 15 113.978 0.300 . 1 . . . . 281 SER N . 26927 2 158 . 1 1 59 59 GLY H H 1 8.002 0.020 . 1 . . . . 282 GLY H . 26927 2 159 . 1 1 59 59 GLY C C 13 172.611 0.300 . 1 . . . . 282 GLY C . 26927 2 160 . 1 1 59 59 GLY CA C 13 46.513 0.300 . 1 . . . . 282 GLY CA . 26927 2 161 . 1 1 59 59 GLY N N 15 108.909 0.300 . 1 . . . . 282 GLY N . 26927 2 162 . 1 1 60 60 ASP H H 1 7.787 0.020 . 1 . . . . 283 ASP H . 26927 2 163 . 1 1 60 60 ASP C C 13 176.424 0.300 . 1 . . . . 283 ASP C . 26927 2 164 . 1 1 60 60 ASP CA C 13 53.003 0.300 . 1 . . . . 283 ASP CA . 26927 2 165 . 1 1 60 60 ASP CB C 13 40.513 0.300 . 1 . . . . 283 ASP CB . 26927 2 166 . 1 1 60 60 ASP N N 15 117.593 0.300 . 1 . . . . 283 ASP N . 26927 2 167 . 1 1 61 61 PHE H H 1 9.440 0.020 . 1 . . . . 284 PHE H . 26927 2 168 . 1 1 61 61 PHE C C 13 176.548 0.300 . 1 . . . . 284 PHE C . 26927 2 169 . 1 1 61 61 PHE CA C 13 57.213 0.300 . 1 . . . . 284 PHE CA . 26927 2 170 . 1 1 61 61 PHE N N 15 124.302 0.300 . 1 . . . . 284 PHE N . 26927 2 171 . 1 1 62 62 SER H H 1 9.092 0.020 . 1 . . . . 285 SER H . 26927 2 172 . 1 1 62 62 SER C C 13 173.345 0.300 . 1 . . . . 285 SER C . 26927 2 173 . 1 1 62 62 SER CA C 13 56.451 0.300 . 1 . . . . 285 SER CA . 26927 2 174 . 1 1 62 62 SER CB C 13 65.454 0.300 . 1 . . . . 285 SER CB . 26927 2 175 . 1 1 62 62 SER N N 15 113.105 0.300 . 1 . . . . 285 SER N . 26927 2 176 . 1 1 63 63 LEU H H 1 8.769 0.020 . 1 . . . . 286 LEU H . 26927 2 177 . 1 1 63 63 LEU C C 13 177.397 0.300 . 1 . . . . 286 LEU C . 26927 2 178 . 1 1 63 63 LEU CA C 13 54.748 0.300 . 1 . . . . 286 LEU CA . 26927 2 179 . 1 1 63 63 LEU CB C 13 41.432 0.300 . 1 . . . . 286 LEU CB . 26927 2 180 . 1 1 63 63 LEU N N 15 121.899 0.300 . 1 . . . . 286 LEU N . 26927 2 181 . 1 1 64 64 VAL H H 1 8.015 0.020 . 1 . . . . 287 VAL H . 26927 2 182 . 1 1 64 64 VAL C C 13 175.889 0.300 . 1 . . . . 287 VAL C . 26927 2 183 . 1 1 64 64 VAL CA C 13 62.203 0.300 . 1 . . . . 287 VAL CA . 26927 2 184 . 1 1 64 64 VAL CB C 13 31.897 0.300 . 1 . . . . 287 VAL CB . 26927 2 185 . 1 1 64 64 VAL N N 15 123.824 0.300 . 1 . . . . 287 VAL N . 26927 2 186 . 1 1 65 65 GLU H H 1 8.526 0.020 . 1 . . . . 288 GLU H . 26927 2 187 . 1 1 65 65 GLU CA C 13 55.453 0.300 . 1 . . . . 288 GLU CA . 26927 2 188 . 1 1 65 65 GLU CB C 13 30.023 0.300 . 1 . . . . 288 GLU CB . 26927 2 189 . 1 1 65 65 GLU N N 15 125.397 0.300 . 1 . . . . 288 GLU N . 26927 2 190 . 1 1 66 66 GLU C C 13 176.125 0.300 . 1 . . . . 289 GLU C . 26927 2 191 . 1 1 66 66 GLU CA C 13 56.015 0.300 . 1 . . . . 289 GLU CA . 26927 2 192 . 1 1 66 66 GLU CB C 13 29.496 0.300 . 1 . . . . 289 GLU CB . 26927 2 193 . 1 1 67 67 ASP H H 1 8.524 0.020 . 1 . . . . 290 ASP H . 26927 2 194 . 1 1 67 67 ASP C C 13 176.316 0.300 . 1 . . . . 290 ASP C . 26927 2 195 . 1 1 67 67 ASP CA C 13 53.965 0.300 . 1 . . . . 290 ASP CA . 26927 2 196 . 1 1 67 67 ASP CB C 13 40.689 0.300 . 1 . . . . 290 ASP CB . 26927 2 197 . 1 1 67 67 ASP N N 15 121.845 0.300 . 1 . . . . 290 ASP N . 26927 2 198 . 1 1 68 68 GLY H H 1 8.139 0.020 . 1 . . . . 291 GLY H . 26927 2 199 . 1 1 68 68 GLY CA C 13 44.044 0.300 . 1 . . . . 291 GLY CA . 26927 2 200 . 1 1 68 68 GLY N N 15 108.986 0.300 . 1 . . . . 291 GLY N . 26927 2 201 . 1 1 70 70 PRO C C 13 177.022 0.300 . 1 . . . . 293 PRO C . 26927 2 202 . 1 1 70 70 PRO CA C 13 62.453 0.300 . 1 . . . . 293 PRO CA . 26927 2 203 . 1 1 70 70 PRO CB C 13 30.922 0.300 . 1 . . . . 293 PRO CB . 26927 2 204 . 1 1 71 71 MET H H 1 8.458 0.020 . 1 . . . . 294 MET H . 26927 2 205 . 1 1 71 71 MET C C 13 176.056 0.300 . 1 . . . . 294 MET C . 26927 2 206 . 1 1 71 71 MET CA C 13 54.938 0.300 . 1 . . . . 294 MET CA . 26927 2 207 . 1 1 71 71 MET CB C 13 31.945 0.300 . 1 . . . . 294 MET CB . 26927 2 208 . 1 1 71 71 MET N N 15 120.662 0.300 . 1 . . . . 294 MET N . 26927 2 209 . 1 1 72 72 ARG H H 1 8.363 0.020 . 1 . . . . 295 ARG H . 26927 2 210 . 1 1 72 72 ARG C C 13 175.204 0.300 . 1 . . . . 295 ARG C . 26927 2 211 . 1 1 72 72 ARG CA C 13 55.419 0.300 . 1 . . . . 295 ARG CA . 26927 2 212 . 1 1 72 72 ARG CB C 13 29.908 0.300 . 1 . . . . 295 ARG CB . 26927 2 213 . 1 1 72 72 ARG N N 15 122.974 0.300 . 1 . . . . 295 ARG N . 26927 2 214 . 1 1 73 73 GLU H H 1 8.085 0.020 . 1 . . . . 296 GLU H . 26927 2 215 . 1 1 73 73 GLU CA C 13 57.602 0.300 . 1 . . . . 296 GLU CA . 26927 2 216 . 1 1 73 73 GLU CB C 13 30.157 0.300 . 1 . . . . 296 GLU CB . 26927 2 217 . 1 1 73 73 GLU N N 15 127.306 0.300 . 1 . . . . 296 GLU N . 26927 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 26927 _Assigned_chem_shift_list.ID 3 _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' . . . 26927 3 2 '3D HNCACB' . . . 26927 3 4 '3D HNCA' . . . 26927 3 6 '3D HNCO' . . . 26927 3 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 . . 26927 3 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 2 2 GLY CA C 13 44.731 0.300 . 1 . . . . 2 GLY CA . 26927 3 2 . 2 2 3 3 ALA H H 1 8.125 0.020 . 1 . . . . 3 ALA H . 26927 3 3 . 2 2 3 3 ALA C C 13 177.793 0.300 . 1 . . . . 3 ALA C . 26927 3 4 . 2 2 3 3 ALA CA C 13 51.854 0.300 . 1 . . . . 3 ALA CA . 26927 3 5 . 2 2 3 3 ALA CB C 13 18.560 0.300 . 1 . . . . 3 ALA CB . 26927 3 6 . 2 2 3 3 ALA N N 15 123.703 0.300 . 1 . . . . 3 ALA N . 26927 3 7 . 2 2 4 4 LEU H H 1 8.030 0.020 . 1 . . . . 4 LEU H . 26927 3 8 . 2 2 4 4 LEU C C 13 176.937 0.300 . 1 . . . . 4 LEU C . 26927 3 9 . 2 2 4 4 LEU CA C 13 54.906 0.300 . 1 . . . . 4 LEU CA . 26927 3 10 . 2 2 4 4 LEU CB C 13 41.230 0.300 . 1 . . . . 4 LEU CB . 26927 3 11 . 2 2 4 4 LEU N N 15 120.529 0.300 . 1 . . . . 4 LEU N . 26927 3 12 . 2 2 5 5 TRP H H 1 7.606 0.020 . 1 . . . . 5 TRP H . 26927 3 13 . 2 2 5 5 TRP C C 13 175.564 0.300 . 1 . . . . 5 TRP C . 26927 3 14 . 2 2 5 5 TRP CA C 13 56.246 0.300 . 1 . . . . 5 TRP CA . 26927 3 15 . 2 2 5 5 TRP CB C 13 29.011 0.300 . 1 . . . . 5 TRP CB . 26927 3 16 . 2 2 5 5 TRP N N 15 118.653 0.300 . 1 . . . . 5 TRP N . 26927 3 17 . 2 2 6 6 ASP H H 1 8.109 0.020 . 1 . . . . 6 ASP H . 26927 3 18 . 2 2 6 6 ASP C C 13 175.474 0.300 . 1 . . . . 6 ASP C . 26927 3 19 . 2 2 6 6 ASP CA C 13 53.583 0.300 . 1 . . . . 6 ASP CA . 26927 3 20 . 2 2 6 6 ASP CB C 13 40.691 0.300 . 1 . . . . 6 ASP CB . 26927 3 21 . 2 2 6 6 ASP N N 15 121.481 0.300 . 1 . . . . 6 ASP N . 26927 3 22 . 2 2 7 7 VAL H H 1 7.921 0.020 . 1 . . . . 7 VAL H . 26927 3 23 . 2 2 7 7 VAL CA C 13 59.390 0.300 . 1 . . . . 7 VAL CA . 26927 3 24 . 2 2 7 7 VAL CB C 13 32.162 0.300 . 1 . . . . 7 VAL CB . 26927 3 25 . 2 2 7 7 VAL N N 15 121.225 0.300 . 1 . . . . 7 VAL N . 26927 3 26 . 2 2 8 8 PRO C C 13 176.268 0.300 . 1 . . . . 8 PRO C . 26927 3 27 . 2 2 8 8 PRO CA C 13 62.426 0.300 . 1 . . . . 8 PRO CA . 26927 3 28 . 2 2 8 8 PRO CB C 13 31.229 0.300 . 1 . . . . 8 PRO CB . 26927 3 29 . 2 2 9 9 ALA H H 1 8.345 0.020 . 1 . . . . 9 ALA H . 26927 3 30 . 2 2 9 9 ALA CA C 13 49.946 0.300 . 1 . . . . 9 ALA CA . 26927 3 31 . 2 2 9 9 ALA CB C 13 17.092 0.300 . 1 . . . . 9 ALA CB . 26927 3 32 . 2 2 9 9 ALA N N 15 125.286 0.300 . 1 . . . . 9 ALA N . 26927 3 33 . 2 2 12 12 GLU C C 13 176.204 0.300 . 1 . . . . 12 GLU C . 26927 3 34 . 2 2 12 12 GLU CA C 13 55.736 0.300 . 1 . . . . 12 GLU CA . 26927 3 35 . 2 2 12 12 GLU CB C 13 29.305 0.300 . 1 . . . . 12 GLU CB . 26927 3 36 . 2 2 13 13 VAL H H 1 8.275 0.020 . 1 . . . . 13 VAL H . 26927 3 37 . 2 2 13 13 VAL C C 13 176.037 0.300 . 1 . . . . 13 VAL C . 26927 3 38 . 2 2 13 13 VAL CA C 13 61.916 0.300 . 1 . . . . 13 VAL CA . 26927 3 39 . 2 2 13 13 VAL CB C 13 32.198 0.300 . 1 . . . . 13 VAL CB . 26927 3 40 . 2 2 13 13 VAL N N 15 122.253 0.300 . 1 . . . . 13 VAL N . 26927 3 41 . 2 2 14 14 LYS H H 1 8.439 0.020 . 1 . . . . 14 LYS H . 26927 3 42 . 2 2 14 14 LYS C C 13 176.284 0.300 . 1 . . . . 14 LYS C . 26927 3 43 . 2 2 14 14 LYS CA C 13 55.289 0.300 . 1 . . . . 14 LYS CA . 26927 3 44 . 2 2 14 14 LYS CB C 13 32.069 0.300 . 1 . . . . 14 LYS CB . 26927 3 45 . 2 2 14 14 LYS N N 15 125.582 0.300 . 1 . . . . 14 LYS N . 26927 3 46 . 2 2 15 15 LYS H H 1 8.488 0.020 . 1 . . . . 15 LYS H . 26927 3 47 . 2 2 15 15 LYS C C 13 177.430 0.300 . 1 . . . . 15 LYS C . 26927 3 48 . 2 2 15 15 LYS CA C 13 56.067 0.300 . 1 . . . . 15 LYS CA . 26927 3 49 . 2 2 15 15 LYS CB C 13 32.035 0.300 . 1 . . . . 15 LYS CB . 26927 3 50 . 2 2 15 15 LYS N N 15 123.241 0.300 . 1 . . . . 15 LYS N . 26927 3 51 . 2 2 16 16 GLY H H 1 8.508 0.020 . 1 . . . . 16 GLY H . 26927 3 52 . 2 2 16 16 GLY C C 13 173.011 0.300 . 1 . . . . 16 GLY C . 26927 3 53 . 2 2 16 16 GLY CA C 13 44.382 0.300 . 1 . . . . 16 GLY CA . 26927 3 54 . 2 2 16 16 GLY N N 15 109.788 0.300 . 1 . . . . 16 GLY N . 26927 3 55 . 2 2 17 17 GLU H H 1 7.808 0.020 . 1 . . . . 17 GLU H . 26927 3 56 . 2 2 17 17 GLU C C 13 177.466 0.300 . 1 . . . . 17 GLU C . 26927 3 57 . 2 2 17 17 GLU CA C 13 56.283 0.300 . 1 . . . . 17 GLU CA . 26927 3 58 . 2 2 17 17 GLU CB C 13 29.177 0.300 . 1 . . . . 17 GLU CB . 26927 3 59 . 2 2 17 17 GLU N N 15 121.067 0.300 . 1 . . . . 17 GLU N . 26927 3 60 . 2 2 18 18 THR H H 1 8.488 0.020 . 1 . . . . 18 THR H . 26927 3 61 . 2 2 18 18 THR C C 13 174.207 0.300 . 1 . . . . 18 THR C . 26927 3 62 . 2 2 18 18 THR CA C 13 59.995 0.300 . 1 . . . . 18 THR CA . 26927 3 63 . 2 2 18 18 THR CB C 13 68.768 0.300 . 1 . . . . 18 THR CB . 26927 3 64 . 2 2 18 18 THR N N 15 113.744 0.300 . 1 . . . . 18 THR N . 26927 3 65 . 2 2 19 19 THR H H 1 7.746 0.020 . 1 . . . . 19 THR H . 26927 3 66 . 2 2 19 19 THR C C 13 175.844 0.300 . 1 . . . . 19 THR C . 26927 3 67 . 2 2 19 19 THR CA C 13 62.364 0.300 . 1 . . . . 19 THR CA . 26927 3 68 . 2 2 19 19 THR CB C 13 68.972 0.300 . 1 . . . . 19 THR CB . 26927 3 69 . 2 2 19 19 THR N N 15 116.633 0.300 . 1 . . . . 19 THR N . 26927 3 70 . 2 2 20 20 ASP H H 1 8.923 0.020 . 1 . . . . 20 ASP H . 26927 3 71 . 2 2 20 20 ASP C C 13 176.916 0.300 . 1 . . . . 20 ASP C . 26927 3 72 . 2 2 20 20 ASP CA C 13 55.149 0.300 . 1 . . . . 20 ASP CA . 26927 3 73 . 2 2 20 20 ASP CB C 13 40.020 0.300 . 1 . . . . 20 ASP CB . 26927 3 74 . 2 2 20 20 ASP N N 15 126.632 0.300 . 1 . . . . 20 ASP N . 26927 3 75 . 2 2 21 21 GLY H H 1 8.667 0.020 . 1 . . . . 21 GLY H . 26927 3 76 . 2 2 21 21 GLY C C 13 171.523 0.300 . 1 . . . . 21 GLY C . 26927 3 77 . 2 2 21 21 GLY CA C 13 44.798 0.300 . 1 . . . . 21 GLY CA . 26927 3 78 . 2 2 21 21 GLY N N 15 106.763 0.300 . 1 . . . . 21 GLY N . 26927 3 79 . 2 2 22 22 VAL H H 1 8.661 0.020 . 1 . . . . 22 VAL H . 26927 3 80 . 2 2 22 22 VAL C C 13 176.313 0.300 . 1 . . . . 22 VAL C . 26927 3 81 . 2 2 22 22 VAL CA C 13 59.012 0.300 . 1 . . . . 22 VAL CA . 26927 3 82 . 2 2 22 22 VAL CB C 13 33.726 0.300 . 1 . . . . 22 VAL CB . 26927 3 83 . 2 2 22 22 VAL N N 15 118.535 0.300 . 1 . . . . 22 VAL N . 26927 3 84 . 2 2 23 23 TYR H H 1 9.297 0.020 . 1 . . . . 23 TYR H . 26927 3 85 . 2 2 23 23 TYR C C 13 174.912 0.300 . 1 . . . . 23 TYR C . 26927 3 86 . 2 2 23 23 TYR CA C 13 55.977 0.300 . 1 . . . . 23 TYR CA . 26927 3 87 . 2 2 23 23 TYR CB C 13 41.448 0.300 . 1 . . . . 23 TYR CB . 26927 3 88 . 2 2 23 23 TYR N N 15 126.999 0.300 . 1 . . . . 23 TYR N . 26927 3 89 . 2 2 24 24 ARG H H 1 9.157 0.020 . 1 . . . . 24 ARG H . 26927 3 90 . 2 2 24 24 ARG CA C 13 55.638 0.300 . 1 . . . . 24 ARG CA . 26927 3 91 . 2 2 24 24 ARG CB C 13 31.850 0.300 . 1 . . . . 24 ARG CB . 26927 3 92 . 2 2 24 24 ARG N N 15 118.139 0.300 . 1 . . . . 24 ARG N . 26927 3 93 . 2 2 26 26 MET C C 13 175.612 0.300 . 1 . . . . 26 MET C . 26927 3 94 . 2 2 26 26 MET CA C 13 51.439 0.300 . 1 . . . . 26 MET CA . 26927 3 95 . 2 2 26 26 MET CB C 13 32.065 0.300 . 1 . . . . 26 MET CB . 26927 3 96 . 2 2 27 27 THR H H 1 8.905 0.020 . 1 . . . . 27 THR H . 26927 3 97 . 2 2 27 27 THR C C 13 173.528 0.300 . 1 . . . . 27 THR C . 26927 3 98 . 2 2 27 27 THR CA C 13 59.390 0.300 . 1 . . . . 27 THR CA . 26927 3 99 . 2 2 27 27 THR CB C 13 70.675 0.300 . 1 . . . . 27 THR CB . 26927 3 100 . 2 2 27 27 THR N N 15 111.767 0.300 . 1 . . . . 27 THR N . 26927 3 101 . 2 2 28 28 ARG H H 1 8.638 0.020 . 1 . . . . 28 ARG H . 26927 3 102 . 2 2 28 28 ARG C C 13 175.656 0.300 . 1 . . . . 28 ARG C . 26927 3 103 . 2 2 28 28 ARG CA C 13 56.068 0.300 . 1 . . . . 28 ARG CA . 26927 3 104 . 2 2 28 28 ARG CB C 13 30.311 0.300 . 1 . . . . 28 ARG CB . 26927 3 105 . 2 2 28 28 ARG N N 15 125.877 0.300 . 1 . . . . 28 ARG N . 26927 3 106 . 2 2 29 29 ARG H H 1 8.268 0.020 . 1 . . . . 29 ARG H . 26927 3 107 . 2 2 29 29 ARG CA C 13 54.316 0.300 . 1 . . . . 29 ARG CA . 26927 3 108 . 2 2 29 29 ARG CB C 13 30.715 0.300 . 1 . . . . 29 ARG CB . 26927 3 109 . 2 2 29 29 ARG N N 15 124.952 0.300 . 1 . . . . 29 ARG N . 26927 3 110 . 2 2 30 30 LEU C C 13 178.209 0.300 . 1 . . . . 30 LEU C . 26927 3 111 . 2 2 30 30 LEU CA C 13 57.682 0.300 . 1 . . . . 30 LEU CA . 26927 3 112 . 2 2 30 30 LEU CB C 13 40.163 0.300 . 1 . . . . 30 LEU CB . 26927 3 113 . 2 2 31 31 LEU H H 1 8.044 0.020 . 1 . . . . 31 LEU H . 26927 3 114 . 2 2 31 31 LEU C C 13 176.878 0.300 . 1 . . . . 31 LEU C . 26927 3 115 . 2 2 31 31 LEU CA C 13 54.439 0.300 . 1 . . . . 31 LEU CA . 26927 3 116 . 2 2 31 31 LEU CB C 13 40.617 0.300 . 1 . . . . 31 LEU CB . 26927 3 117 . 2 2 31 31 LEU N N 15 116.603 0.300 . 1 . . . . 31 LEU N . 26927 3 118 . 2 2 32 32 GLY H H 1 7.721 0.020 . 1 . . . . 32 GLY H . 26927 3 119 . 2 2 32 32 GLY C C 13 173.026 0.300 . 1 . . . . 32 GLY C . 26927 3 120 . 2 2 32 32 GLY CA C 13 44.547 0.300 . 1 . . . . 32 GLY CA . 26927 3 121 . 2 2 32 32 GLY N N 15 108.192 0.300 . 1 . . . . 32 GLY N . 26927 3 122 . 2 2 33 33 SER H H 1 8.603 0.020 . 1 . . . . 33 SER H . 26927 3 123 . 2 2 33 33 SER C C 13 173.758 0.300 . 1 . . . . 33 SER C . 26927 3 124 . 2 2 33 33 SER CA C 13 57.490 0.300 . 1 . . . . 33 SER CA . 26927 3 125 . 2 2 33 33 SER CB C 13 65.333 0.300 . 1 . . . . 33 SER CB . 26927 3 126 . 2 2 33 33 SER N N 15 116.781 0.300 . 1 . . . . 33 SER N . 26927 3 127 . 2 2 34 34 THR H H 1 8.765 0.020 . 1 . . . . 34 THR H . 26927 3 128 . 2 2 34 34 THR C C 13 172.387 0.300 . 1 . . . . 34 THR C . 26927 3 129 . 2 2 34 34 THR CA C 13 60.619 0.300 . 1 . . . . 34 THR CA . 26927 3 130 . 2 2 34 34 THR CB C 13 71.403 0.300 . 1 . . . . 34 THR CB . 26927 3 131 . 2 2 34 34 THR N N 15 117.558 0.300 . 1 . . . . 34 THR N . 26927 3 132 . 2 2 35 35 GLN H H 1 8.964 0.020 . 1 . . . . 35 GLN H . 26927 3 133 . 2 2 35 35 GLN C C 13 175.494 0.300 . 1 . . . . 35 GLN C . 26927 3 134 . 2 2 35 35 GLN CA C 13 55.984 0.300 . 1 . . . . 35 GLN CA . 26927 3 135 . 2 2 35 35 GLN CB C 13 28.967 0.300 . 1 . . . . 35 GLN CB . 26927 3 136 . 2 2 35 35 GLN N N 15 127.307 0.300 . 1 . . . . 35 GLN N . 26927 3 137 . 2 2 36 36 VAL H H 1 8.971 0.020 . 1 . . . . 36 VAL H . 26927 3 138 . 2 2 36 36 VAL C C 13 175.347 0.300 . 1 . . . . 36 VAL C . 26927 3 139 . 2 2 36 36 VAL CA C 13 60.835 0.300 . 1 . . . . 36 VAL CA . 26927 3 140 . 2 2 36 36 VAL CB C 13 31.953 0.300 . 1 . . . . 36 VAL CB . 26927 3 141 . 2 2 36 36 VAL N N 15 120.682 0.300 . 1 . . . . 36 VAL N . 26927 3 142 . 2 2 37 37 GLY H H 1 7.985 0.020 . 1 . . . . 37 GLY H . 26927 3 143 . 2 2 37 37 GLY C C 13 170.150 0.300 . 1 . . . . 37 GLY C . 26927 3 144 . 2 2 37 37 GLY CA C 13 46.031 0.300 . 1 . . . . 37 GLY CA . 26927 3 145 . 2 2 37 37 GLY N N 15 109.916 0.300 . 1 . . . . 37 GLY N . 26927 3 146 . 2 2 38 38 VAL H H 1 8.736 0.020 . 1 . . . . 38 VAL H . 26927 3 147 . 2 2 38 38 VAL C C 13 174.599 0.300 . 1 . . . . 38 VAL C . 26927 3 148 . 2 2 38 38 VAL CA C 13 60.050 0.300 . 1 . . . . 38 VAL CA . 26927 3 149 . 2 2 38 38 VAL CB C 13 35.207 0.300 . 1 . . . . 38 VAL CB . 26927 3 150 . 2 2 38 38 VAL N N 15 122.036 0.300 . 1 . . . . 38 VAL N . 26927 3 151 . 2 2 39 39 GLY H H 1 9.134 0.020 . 1 . . . . 39 GLY H . 26927 3 152 . 2 2 39 39 GLY C C 13 172.073 0.300 . 1 . . . . 39 GLY C . 26927 3 153 . 2 2 39 39 GLY CA C 13 46.045 0.300 . 1 . . . . 39 GLY CA . 26927 3 154 . 2 2 39 39 GLY N N 15 109.761 0.300 . 1 . . . . 39 GLY N . 26927 3 155 . 2 2 40 40 VAL H H 1 8.715 0.020 . 1 . . . . 40 VAL H . 26927 3 156 . 2 2 40 40 VAL C C 13 174.773 0.300 . 1 . . . . 40 VAL C . 26927 3 157 . 2 2 40 40 VAL CA C 13 60.405 0.300 . 1 . . . . 40 VAL CA . 26927 3 158 . 2 2 40 40 VAL CB C 13 35.757 0.300 . 1 . . . . 40 VAL CB . 26927 3 159 . 2 2 40 40 VAL N N 15 116.678 0.300 . 1 . . . . 40 VAL N . 26927 3 160 . 2 2 41 41 MET H H 1 9.903 0.020 . 1 . . . . 41 MET H . 26927 3 161 . 2 2 41 41 MET C C 13 175.119 0.300 . 1 . . . . 41 MET C . 26927 3 162 . 2 2 41 41 MET CA C 13 52.906 0.300 . 1 . . . . 41 MET CA . 26927 3 163 . 2 2 41 41 MET CB C 13 34.780 0.300 . 1 . . . . 41 MET CB . 26927 3 164 . 2 2 41 41 MET N N 15 133.683 0.300 . 1 . . . . 41 MET N . 26927 3 165 . 2 2 42 42 GLN H H 1 9.309 0.020 . 1 . . . . 42 GLN H . 26927 3 166 . 2 2 42 42 GLN C C 13 174.584 0.300 . 1 . . . . 42 GLN C . 26927 3 167 . 2 2 42 42 GLN CA C 13 56.299 0.300 . 1 . . . . 42 GLN CA . 26927 3 168 . 2 2 42 42 GLN CB C 13 31.834 0.300 . 1 . . . . 42 GLN CB . 26927 3 169 . 2 2 42 42 GLN N N 15 129.046 0.300 . 1 . . . . 42 GLN N . 26927 3 170 . 2 2 43 43 GLU H H 1 9.398 0.020 . 1 . . . . 43 GLU H . 26927 3 171 . 2 2 43 43 GLU C C 13 175.802 0.300 . 1 . . . . 43 GLU C . 26927 3 172 . 2 2 43 43 GLU CA C 13 57.105 0.300 . 1 . . . . 43 GLU CA . 26927 3 173 . 2 2 43 43 GLU CB C 13 27.358 0.300 . 1 . . . . 43 GLU CB . 26927 3 174 . 2 2 43 43 GLU N N 15 124.873 0.300 . 1 . . . . 43 GLU N . 26927 3 175 . 2 2 44 44 GLY H H 1 9.306 0.020 . 1 . . . . 44 GLY H . 26927 3 176 . 2 2 44 44 GLY C C 13 172.642 0.300 . 1 . . . . 44 GLY C . 26927 3 177 . 2 2 44 44 GLY CA C 13 44.936 0.300 . 1 . . . . 44 GLY CA . 26927 3 178 . 2 2 44 44 GLY N N 15 104.404 0.300 . 1 . . . . 44 GLY N . 26927 3 179 . 2 2 45 45 VAL H H 1 7.569 0.020 . 1 . . . . 45 VAL H . 26927 3 180 . 2 2 45 45 VAL C C 13 174.964 0.300 . 1 . . . . 45 VAL C . 26927 3 181 . 2 2 45 45 VAL CA C 13 60.243 0.300 . 1 . . . . 45 VAL CA . 26927 3 182 . 2 2 45 45 VAL CB C 13 34.106 0.300 . 1 . . . . 45 VAL CB . 26927 3 183 . 2 2 45 45 VAL N N 15 120.102 0.300 . 1 . . . . 45 VAL N . 26927 3 184 . 2 2 46 46 PHE H H 1 7.941 0.020 . 1 . . . . 46 PHE H . 26927 3 185 . 2 2 46 46 PHE CA C 13 56.727 0.300 . 1 . . . . 46 PHE CA . 26927 3 186 . 2 2 46 46 PHE CB C 13 40.805 0.300 . 1 . . . . 46 PHE CB . 26927 3 187 . 2 2 46 46 PHE N N 15 125.641 0.300 . 1 . . . . 46 PHE N . 26927 3 188 . 2 2 50 50 TRP H H 1 7.356 0.020 . 1 . . . . 50 TRP H . 26927 3 189 . 2 2 50 50 TRP C C 13 178.696 0.300 . 1 . . . . 50 TRP C . 26927 3 190 . 2 2 50 50 TRP CA C 13 60.588 0.300 . 1 . . . . 50 TRP CA . 26927 3 191 . 2 2 50 50 TRP CB C 13 26.989 0.300 . 1 . . . . 50 TRP CB . 26927 3 192 . 2 2 50 50 TRP N N 15 124.622 0.300 . 1 . . . . 50 TRP N . 26927 3 193 . 2 2 51 51 HIS H H 1 9.847 0.020 . 1 . . . . 51 HIS H . 26927 3 194 . 2 2 51 51 HIS C C 13 175.134 0.300 . 1 . . . . 51 HIS C . 26927 3 195 . 2 2 51 51 HIS CA C 13 58.739 0.300 . 1 . . . . 51 HIS CA . 26927 3 196 . 2 2 51 51 HIS CB C 13 26.843 0.300 . 1 . . . . 51 HIS CB . 26927 3 197 . 2 2 51 51 HIS N N 15 112.582 0.300 . 1 . . . . 51 HIS N . 26927 3 198 . 2 2 52 52 VAL H H 1 6.997 0.020 . 1 . . . . 52 VAL H . 26927 3 199 . 2 2 52 52 VAL C C 13 175.556 0.300 . 1 . . . . 52 VAL C . 26927 3 200 . 2 2 52 52 VAL CA C 13 64.948 0.300 . 1 . . . . 52 VAL CA . 26927 3 201 . 2 2 52 52 VAL CB C 13 30.809 0.300 . 1 . . . . 52 VAL CB . 26927 3 202 . 2 2 52 52 VAL N N 15 119.649 0.300 . 1 . . . . 52 VAL N . 26927 3 203 . 2 2 53 53 THR H H 1 6.333 0.020 . 1 . . . . 53 THR H . 26927 3 204 . 2 2 53 53 THR C C 13 175.908 0.300 . 1 . . . . 53 THR C . 26927 3 205 . 2 2 53 53 THR CA C 13 59.926 0.300 . 1 . . . . 53 THR CA . 26927 3 206 . 2 2 53 53 THR CB C 13 70.037 0.300 . 1 . . . . 53 THR CB . 26927 3 207 . 2 2 53 53 THR N N 15 101.181 0.300 . 1 . . . . 53 THR N . 26927 3 208 . 2 2 54 54 LYS H H 1 9.181 0.020 . 1 . . . . 54 LYS H . 26927 3 209 . 2 2 54 54 LYS C C 13 175.734 0.300 . 1 . . . . 54 LYS C . 26927 3 210 . 2 2 54 54 LYS CA C 13 55.669 0.300 . 1 . . . . 54 LYS CA . 26927 3 211 . 2 2 54 54 LYS CB C 13 28.477 0.300 . 1 . . . . 54 LYS CB . 26927 3 212 . 2 2 54 54 LYS N N 15 121.983 0.300 . 1 . . . . 54 LYS N . 26927 3 213 . 2 2 55 55 GLY H H 1 7.029 0.020 . 1 . . . . 55 GLY H . 26927 3 214 . 2 2 55 55 GLY C C 13 172.956 0.300 . 1 . . . . 55 GLY C . 26927 3 215 . 2 2 55 55 GLY CA C 13 44.679 0.300 . 1 . . . . 55 GLY CA . 26927 3 216 . 2 2 55 55 GLY N N 15 101.286 0.300 . 1 . . . . 55 GLY N . 26927 3 217 . 2 2 56 56 ALA H H 1 7.331 0.020 . 1 . . . . 56 ALA H . 26927 3 218 . 2 2 56 56 ALA C C 13 177.750 0.300 . 1 . . . . 56 ALA C . 26927 3 219 . 2 2 56 56 ALA CA C 13 51.584 0.300 . 1 . . . . 56 ALA CA . 26927 3 220 . 2 2 56 56 ALA CB C 13 18.848 0.300 . 1 . . . . 56 ALA CB . 26927 3 221 . 2 2 56 56 ALA N N 15 121.080 0.300 . 1 . . . . 56 ALA N . 26927 3 222 . 2 2 57 57 ALA H H 1 8.600 0.020 . 1 . . . . 57 ALA H . 26927 3 223 . 2 2 57 57 ALA C C 13 175.750 0.300 . 1 . . . . 57 ALA C . 26927 3 224 . 2 2 57 57 ALA CA C 13 52.694 0.300 . 1 . . . . 57 ALA CA . 26927 3 225 . 2 2 57 57 ALA CB C 13 18.182 0.300 . 1 . . . . 57 ALA CB . 26927 3 226 . 2 2 57 57 ALA N N 15 123.037 0.300 . 1 . . . . 57 ALA N . 26927 3 227 . 2 2 58 58 LEU H H 1 8.059 0.020 . 1 . . . . 58 LEU H . 26927 3 228 . 2 2 58 58 LEU C C 13 176.273 0.300 . 1 . . . . 58 LEU C . 26927 3 229 . 2 2 58 58 LEU CA C 13 51.703 0.300 . 1 . . . . 58 LEU CA . 26927 3 230 . 2 2 58 58 LEU CB C 13 45.157 0.300 . 1 . . . . 58 LEU CB . 26927 3 231 . 2 2 58 58 LEU N N 15 116.194 0.300 . 1 . . . . 58 LEU N . 26927 3 232 . 2 2 59 59 ARG H H 1 8.672 0.020 . 1 . . . . 59 ARG H . 26927 3 233 . 2 2 59 59 ARG C C 13 175.260 0.300 . 1 . . . . 59 ARG C . 26927 3 234 . 2 2 59 59 ARG CA C 13 55.313 0.300 . 1 . . . . 59 ARG CA . 26927 3 235 . 2 2 59 59 ARG CB C 13 29.714 0.300 . 1 . . . . 59 ARG CB . 26927 3 236 . 2 2 59 59 ARG N N 15 122.222 0.300 . 1 . . . . 59 ARG N . 26927 3 237 . 2 2 60 60 SER H H 1 8.020 0.020 . 1 . . . . 60 SER H . 26927 3 238 . 2 2 60 60 SER C C 13 175.338 0.300 . 1 . . . . 60 SER C . 26927 3 239 . 2 2 60 60 SER CA C 13 55.317 0.300 . 1 . . . . 60 SER CA . 26927 3 240 . 2 2 60 60 SER CB C 13 62.570 0.300 . 1 . . . . 60 SER CB . 26927 3 241 . 2 2 60 60 SER N N 15 116.866 0.300 . 1 . . . . 60 SER N . 26927 3 242 . 2 2 61 61 GLY H H 1 9.418 0.020 . 1 . . . . 61 GLY H . 26927 3 243 . 2 2 61 61 GLY C C 13 175.001 0.300 . 1 . . . . 61 GLY C . 26927 3 244 . 2 2 61 61 GLY CA C 13 46.543 0.300 . 1 . . . . 61 GLY CA . 26927 3 245 . 2 2 61 61 GLY N N 15 118.655 0.300 . 1 . . . . 61 GLY N . 26927 3 246 . 2 2 62 62 GLU H H 1 9.086 0.020 . 1 . . . . 62 GLU H . 26927 3 247 . 2 2 62 62 GLU C C 13 176.519 0.300 . 1 . . . . 62 GLU C . 26927 3 248 . 2 2 62 62 GLU CA C 13 55.951 0.300 . 1 . . . . 62 GLU CA . 26927 3 249 . 2 2 62 62 GLU CB C 13 29.298 0.300 . 1 . . . . 62 GLU CB . 26927 3 250 . 2 2 62 62 GLU N N 15 125.501 0.300 . 1 . . . . 62 GLU N . 26927 3 251 . 2 2 63 63 GLY H H 1 7.847 0.020 . 1 . . . . 63 GLY H . 26927 3 252 . 2 2 63 63 GLY C C 13 172.178 0.300 . 1 . . . . 63 GLY C . 26927 3 253 . 2 2 63 63 GLY CA C 13 43.861 0.300 . 1 . . . . 63 GLY CA . 26927 3 254 . 2 2 63 63 GLY N N 15 107.027 0.300 . 1 . . . . 63 GLY N . 26927 3 255 . 2 2 64 64 ARG H H 1 8.437 0.020 . 1 . . . . 64 ARG H . 26927 3 256 . 2 2 64 64 ARG C C 13 174.986 0.300 . 1 . . . . 64 ARG C . 26927 3 257 . 2 2 64 64 ARG CA C 13 54.585 0.300 . 1 . . . . 64 ARG CA . 26927 3 258 . 2 2 64 64 ARG CB C 13 32.502 0.300 . 1 . . . . 64 ARG CB . 26927 3 259 . 2 2 64 64 ARG N N 15 121.206 0.300 . 1 . . . . 64 ARG N . 26927 3 260 . 2 2 65 65 LEU H H 1 9.699 0.020 . 1 . . . . 65 LEU H . 26927 3 261 . 2 2 65 65 LEU C C 13 175.234 0.300 . 1 . . . . 65 LEU C . 26927 3 262 . 2 2 65 65 LEU CA C 13 53.260 0.300 . 1 . . . . 65 LEU CA . 26927 3 263 . 2 2 65 65 LEU CB C 13 41.403 0.300 . 1 . . . . 65 LEU CB . 26927 3 264 . 2 2 65 65 LEU N N 15 125.277 0.300 . 1 . . . . 65 LEU N . 26927 3 265 . 2 2 66 66 ASP H H 1 7.522 0.020 . 1 . . . . 66 ASP H . 26927 3 266 . 2 2 66 66 ASP CA C 13 51.730 0.300 . 1 . . . . 66 ASP CA . 26927 3 267 . 2 2 66 66 ASP CB C 13 41.402 0.300 . 1 . . . . 66 ASP CB . 26927 3 268 . 2 2 66 66 ASP N N 15 122.864 0.300 . 1 . . . . 66 ASP N . 26927 3 269 . 2 2 67 67 PRO C C 13 174.692 0.300 . 1 . . . . 67 PRO C . 26927 3 270 . 2 2 67 67 PRO CA C 13 62.664 0.300 . 1 . . . . 67 PRO CA . 26927 3 271 . 2 2 67 67 PRO CB C 13 29.940 0.300 . 1 . . . . 67 PRO CB . 26927 3 272 . 2 2 68 68 TYR H H 1 9.613 0.020 . 1 . . . . 68 TYR H . 26927 3 273 . 2 2 68 68 TYR C C 13 174.558 0.300 . 1 . . . . 68 TYR C . 26927 3 274 . 2 2 68 68 TYR CA C 13 58.525 0.300 . 1 . . . . 68 TYR CA . 26927 3 275 . 2 2 68 68 TYR N N 15 124.326 0.300 . 1 . . . . 68 TYR N . 26927 3 276 . 2 2 69 69 TRP H H 1 8.049 0.020 . 1 . . . . 69 TRP H . 26927 3 277 . 2 2 69 69 TRP C C 13 173.005 0.300 . 1 . . . . 69 TRP C . 26927 3 278 . 2 2 69 69 TRP CA C 13 56.378 0.300 . 1 . . . . 69 TRP CA . 26927 3 279 . 2 2 69 69 TRP CB C 13 30.660 0.300 . 1 . . . . 69 TRP CB . 26927 3 280 . 2 2 69 69 TRP N N 15 121.176 0.300 . 1 . . . . 69 TRP N . 26927 3 281 . 2 2 70 70 GLY H H 1 7.020 0.020 . 1 . . . . 70 GLY H . 26927 3 282 . 2 2 70 70 GLY C C 13 170.364 0.300 . 1 . . . . 70 GLY C . 26927 3 283 . 2 2 70 70 GLY CA C 13 45.108 0.300 . 1 . . . . 70 GLY CA . 26927 3 284 . 2 2 70 70 GLY N N 15 111.639 0.300 . 1 . . . . 70 GLY N . 26927 3 285 . 2 2 71 71 ASP H H 1 7.867 0.020 . 1 . . . . 71 ASP H . 26927 3 286 . 2 2 71 71 ASP C C 13 175.651 0.300 . 1 . . . . 71 ASP C . 26927 3 287 . 2 2 71 71 ASP CA C 13 52.908 0.300 . 1 . . . . 71 ASP CA . 26927 3 288 . 2 2 71 71 ASP CB C 13 44.208 0.300 . 1 . . . . 71 ASP CB . 26927 3 289 . 2 2 71 71 ASP N N 15 117.813 0.300 . 1 . . . . 71 ASP N . 26927 3 290 . 2 2 72 72 VAL H H 1 8.120 0.020 . 1 . . . . 72 VAL H . 26927 3 291 . 2 2 72 72 VAL C C 13 176.331 0.300 . 1 . . . . 72 VAL C . 26927 3 292 . 2 2 72 72 VAL CA C 13 65.051 0.300 . 1 . . . . 72 VAL CA . 26927 3 293 . 2 2 72 72 VAL CB C 13 30.665 0.300 . 1 . . . . 72 VAL CB . 26927 3 294 . 2 2 72 72 VAL N N 15 126.280 0.300 . 1 . . . . 72 VAL N . 26927 3 295 . 2 2 73 73 LYS H H 1 7.585 0.020 . 1 . . . . 73 LYS H . 26927 3 296 . 2 2 73 73 LYS C C 13 178.532 0.300 . 1 . . . . 73 LYS C . 26927 3 297 . 2 2 73 73 LYS CA C 13 58.861 0.300 . 1 . . . . 73 LYS CA . 26927 3 298 . 2 2 73 73 LYS CB C 13 31.133 0.300 . 1 . . . . 73 LYS CB . 26927 3 299 . 2 2 73 73 LYS N N 15 121.036 0.300 . 1 . . . . 73 LYS N . 26927 3 300 . 2 2 74 74 GLN H H 1 7.709 0.020 . 1 . . . . 74 GLN H . 26927 3 301 . 2 2 74 74 GLN C C 13 176.278 0.300 . 1 . . . . 74 GLN C . 26927 3 302 . 2 2 74 74 GLN CA C 13 56.481 0.300 . 1 . . . . 74 GLN CA . 26927 3 303 . 2 2 74 74 GLN CB C 13 28.999 0.300 . 1 . . . . 74 GLN CB . 26927 3 304 . 2 2 74 74 GLN N N 15 112.291 0.300 . 1 . . . . 74 GLN N . 26927 3 305 . 2 2 75 75 ASP H H 1 7.878 0.020 . 1 . . . . 75 ASP H . 26927 3 306 . 2 2 75 75 ASP C C 13 175.385 0.300 . 1 . . . . 75 ASP C . 26927 3 307 . 2 2 75 75 ASP CA C 13 54.316 0.300 . 1 . . . . 75 ASP CA . 26927 3 308 . 2 2 75 75 ASP CB C 13 37.857 0.300 . 1 . . . . 75 ASP CB . 26927 3 309 . 2 2 75 75 ASP N N 15 115.660 0.300 . 1 . . . . 75 ASP N . 26927 3 310 . 2 2 76 76 LEU H H 1 7.723 0.020 . 1 . . . . 76 LEU H . 26927 3 311 . 2 2 76 76 LEU CA C 13 53.545 0.300 . 1 . . . . 76 LEU CA . 26927 3 312 . 2 2 76 76 LEU CB C 13 48.229 0.300 . 1 . . . . 76 LEU CB . 26927 3 313 . 2 2 76 76 LEU N N 15 116.225 0.300 . 1 . . . . 76 LEU N . 26927 3 314 . 2 2 77 77 VAL C C 13 171.441 0.300 . 1 . . . . 77 VAL C . 26927 3 315 . 2 2 77 77 VAL CA C 13 59.648 0.300 . 1 . . . . 77 VAL CA . 26927 3 316 . 2 2 77 77 VAL CB C 13 35.054 0.300 . 1 . . . . 77 VAL CB . 26927 3 317 . 2 2 78 78 SER H H 1 10.179 0.020 . 1 . . . . 78 SER H . 26927 3 318 . 2 2 78 78 SER CA C 13 56.508 0.300 . 1 . . . . 78 SER CA . 26927 3 319 . 2 2 78 78 SER CB C 13 67.508 0.300 . 1 . . . . 78 SER CB . 26927 3 320 . 2 2 78 78 SER N N 15 120.970 0.300 . 1 . . . . 78 SER N . 26927 3 321 . 2 2 79 79 TYR C C 13 176.468 0.300 . 1 . . . . 79 TYR C . 26927 3 322 . 2 2 79 79 TYR CA C 13 57.201 0.300 . 1 . . . . 79 TYR CA . 26927 3 323 . 2 2 79 79 TYR CB C 13 40.372 0.300 . 1 . . . . 79 TYR CB . 26927 3 324 . 2 2 80 80 CYS H H 1 7.976 0.020 . 1 . . . . 80 CYS H . 26927 3 325 . 2 2 80 80 CYS C C 13 173.263 0.300 . 1 . . . . 80 CYS C . 26927 3 326 . 2 2 80 80 CYS CA C 13 56.781 0.300 . 1 . . . . 80 CYS CA . 26927 3 327 . 2 2 80 80 CYS CB C 13 37.650 0.300 . 1 . . . . 80 CYS CB . 26927 3 328 . 2 2 80 80 CYS N N 15 109.813 0.300 . 1 . . . . 80 CYS N . 26927 3 329 . 2 2 81 81 GLY H H 1 7.277 0.020 . 1 . . . . 81 GLY H . 26927 3 330 . 2 2 81 81 GLY C C 13 167.892 0.300 . 1 . . . . 81 GLY C . 26927 3 331 . 2 2 81 81 GLY CA C 13 44.023 0.300 . 1 . . . . 81 GLY CA . 26927 3 332 . 2 2 81 81 GLY N N 15 108.504 0.300 . 1 . . . . 81 GLY N . 26927 3 333 . 2 2 82 82 PRO C C 13 172.623 0.300 . 1 . . . . 82 PRO C . 26927 3 334 . 2 2 82 82 PRO CA C 13 61.566 0.300 . 1 . . . . 82 PRO CA . 26927 3 335 . 2 2 82 82 PRO CB C 13 31.786 0.300 . 1 . . . . 82 PRO CB . 26927 3 336 . 2 2 83 83 TRP H H 1 7.838 0.020 . 1 . . . . 83 TRP H . 26927 3 337 . 2 2 83 83 TRP C C 13 177.986 0.300 . 1 . . . . 83 TRP C . 26927 3 338 . 2 2 83 83 TRP CA C 13 59.169 0.300 . 1 . . . . 83 TRP CA . 26927 3 339 . 2 2 83 83 TRP CB C 13 28.759 0.300 . 1 . . . . 83 TRP CB . 26927 3 340 . 2 2 83 83 TRP N N 15 117.286 0.300 . 1 . . . . 83 TRP N . 26927 3 341 . 2 2 84 84 LYS H H 1 10.853 0.020 . 1 . . . . 84 LYS H . 26927 3 342 . 2 2 84 84 LYS C C 13 177.127 0.300 . 1 . . . . 84 LYS C . 26927 3 343 . 2 2 84 84 LYS CA C 13 54.291 0.300 . 1 . . . . 84 LYS CA . 26927 3 344 . 2 2 84 84 LYS CB C 13 33.321 0.300 . 1 . . . . 84 LYS CB . 26927 3 345 . 2 2 84 84 LYS N N 15 127.669 0.300 . 1 . . . . 84 LYS N . 26927 3 346 . 2 2 85 85 LEU H H 1 5.687 0.020 . 1 . . . . 85 LEU H . 26927 3 347 . 2 2 85 85 LEU CA C 13 54.557 0.300 . 1 . . . . 85 LEU CA . 26927 3 348 . 2 2 85 85 LEU CB C 13 38.417 0.300 . 1 . . . . 85 LEU CB . 26927 3 349 . 2 2 85 85 LEU N N 15 117.827 0.300 . 1 . . . . 85 LEU N . 26927 3 350 . 2 2 86 86 ASP H H 1 8.239 0.020 . 1 . . . . 86 ASP H . 26927 3 351 . 2 2 86 86 ASP C C 13 176.339 0.300 . 1 . . . . 86 ASP C . 26927 3 352 . 2 2 86 86 ASP CA C 13 52.854 0.300 . 1 . . . . 86 ASP CA . 26927 3 353 . 2 2 86 86 ASP CB C 13 41.714 0.300 . 1 . . . . 86 ASP CB . 26927 3 354 . 2 2 86 86 ASP N N 15 121.602 0.300 . 1 . . . . 86 ASP N . 26927 3 355 . 2 2 87 87 ALA H H 1 8.352 0.020 . 1 . . . . 87 ALA H . 26927 3 356 . 2 2 87 87 ALA C C 13 175.075 0.300 . 1 . . . . 87 ALA C . 26927 3 357 . 2 2 87 87 ALA CA C 13 52.502 0.300 . 1 . . . . 87 ALA CA . 26927 3 358 . 2 2 87 87 ALA CB C 13 18.915 0.300 . 1 . . . . 87 ALA CB . 26927 3 359 . 2 2 87 87 ALA N N 15 125.986 0.300 . 1 . . . . 87 ALA N . 26927 3 360 . 2 2 88 88 ALA H H 1 8.239 0.020 . 1 . . . . 88 ALA H . 26927 3 361 . 2 2 88 88 ALA C C 13 178.723 0.300 . 1 . . . . 88 ALA C . 26927 3 362 . 2 2 88 88 ALA CA C 13 49.257 0.300 . 1 . . . . 88 ALA CA . 26927 3 363 . 2 2 88 88 ALA CB C 13 21.945 0.300 . 1 . . . . 88 ALA CB . 26927 3 364 . 2 2 88 88 ALA N N 15 120.356 0.300 . 1 . . . . 88 ALA N . 26927 3 365 . 2 2 89 89 TRP H H 1 9.360 0.020 . 1 . . . . 89 TRP H . 26927 3 366 . 2 2 89 89 TRP C C 13 176.974 0.300 . 1 . . . . 89 TRP C . 26927 3 367 . 2 2 89 89 TRP CA C 13 56.590 0.300 . 1 . . . . 89 TRP CA . 26927 3 368 . 2 2 89 89 TRP CB C 13 27.572 0.300 . 1 . . . . 89 TRP CB . 26927 3 369 . 2 2 89 89 TRP N N 15 123.430 0.300 . 1 . . . . 89 TRP N . 26927 3 370 . 2 2 90 90 ASP H H 1 8.692 0.020 . 1 . . . . 90 ASP H . 26927 3 371 . 2 2 90 90 ASP CA C 13 53.981 0.300 . 1 . . . . 90 ASP CA . 26927 3 372 . 2 2 90 90 ASP CB C 13 39.185 0.300 . 1 . . . . 90 ASP CB . 26927 3 373 . 2 2 90 90 ASP N N 15 130.079 0.300 . 1 . . . . 90 ASP N . 26927 3 374 . 2 2 91 91 GLY C C 13 173.355 0.300 . 1 . . . . 91 GLY C . 26927 3 375 . 2 2 91 91 GLY CA C 13 43.826 0.300 . 1 . . . . 91 GLY CA . 26927 3 376 . 2 2 92 92 LEU H H 1 7.941 0.020 . 1 . . . . 92 LEU H . 26927 3 377 . 2 2 92 92 LEU C C 13 177.116 0.300 . 1 . . . . 92 LEU C . 26927 3 378 . 2 2 92 92 LEU CA C 13 55.449 0.300 . 1 . . . . 92 LEU CA . 26927 3 379 . 2 2 92 92 LEU CB C 13 46.126 0.300 . 1 . . . . 92 LEU CB . 26927 3 380 . 2 2 92 92 LEU N N 15 119.075 0.300 . 1 . . . . 92 LEU N . 26927 3 381 . 2 2 93 93 SER H H 1 9.914 0.020 . 1 . . . . 93 SER H . 26927 3 382 . 2 2 93 93 SER C C 13 174.616 0.300 . 1 . . . . 93 SER C . 26927 3 383 . 2 2 93 93 SER CA C 13 59.091 0.300 . 1 . . . . 93 SER CA . 26927 3 384 . 2 2 93 93 SER CB C 13 64.081 0.300 . 1 . . . . 93 SER CB . 26927 3 385 . 2 2 93 93 SER N N 15 117.694 0.300 . 1 . . . . 93 SER N . 26927 3 386 . 2 2 94 94 GLU H H 1 8.795 0.020 . 1 . . . . 94 GLU H . 26927 3 387 . 2 2 94 94 GLU C C 13 175.700 0.300 . 1 . . . . 94 GLU C . 26927 3 388 . 2 2 94 94 GLU CA C 13 57.420 0.300 . 1 . . . . 94 GLU CA . 26927 3 389 . 2 2 94 94 GLU CB C 13 30.213 0.300 . 1 . . . . 94 GLU CB . 26927 3 390 . 2 2 94 94 GLU N N 15 118.872 0.300 . 1 . . . . 94 GLU N . 26927 3 391 . 2 2 95 95 VAL H H 1 8.977 0.020 . 1 . . . . 95 VAL H . 26927 3 392 . 2 2 95 95 VAL C C 13 174.831 0.300 . 1 . . . . 95 VAL C . 26927 3 393 . 2 2 95 95 VAL CA C 13 58.157 0.300 . 1 . . . . 95 VAL CA . 26927 3 394 . 2 2 95 95 VAL CB C 13 33.873 0.300 . 1 . . . . 95 VAL CB . 26927 3 395 . 2 2 95 95 VAL N N 15 111.724 0.300 . 1 . . . . 95 VAL N . 26927 3 396 . 2 2 96 96 GLN H H 1 8.726 0.020 . 1 . . . . 96 GLN H . 26927 3 397 . 2 2 96 96 GLN C C 13 175.423 0.300 . 1 . . . . 96 GLN C . 26927 3 398 . 2 2 96 96 GLN CA C 13 53.150 0.300 . 1 . . . . 96 GLN CA . 26927 3 399 . 2 2 96 96 GLN CB C 13 29.740 0.300 . 1 . . . . 96 GLN CB . 26927 3 400 . 2 2 96 96 GLN N N 15 115.115 0.300 . 1 . . . . 96 GLN N . 26927 3 401 . 2 2 97 97 LEU H H 1 9.134 0.020 . 1 . . . . 97 LEU H . 26927 3 402 . 2 2 97 97 LEU C C 13 173.703 0.300 . 1 . . . . 97 LEU C . 26927 3 403 . 2 2 97 97 LEU CA C 13 53.092 0.300 . 1 . . . . 97 LEU CA . 26927 3 404 . 2 2 97 97 LEU CB C 13 43.526 0.300 . 1 . . . . 97 LEU CB . 26927 3 405 . 2 2 97 97 LEU N N 15 123.641 0.300 . 1 . . . . 97 LEU N . 26927 3 406 . 2 2 98 98 LEU H H 1 8.747 0.020 . 1 . . . . 98 LEU H . 26927 3 407 . 2 2 98 98 LEU C C 13 173.627 0.300 . 1 . . . . 98 LEU C . 26927 3 408 . 2 2 98 98 LEU CA C 13 53.033 0.300 . 1 . . . . 98 LEU CA . 26927 3 409 . 2 2 98 98 LEU CB C 13 39.743 0.300 . 1 . . . . 98 LEU CB . 26927 3 410 . 2 2 98 98 LEU N N 15 133.384 0.300 . 1 . . . . 98 LEU N . 26927 3 411 . 2 2 99 99 ALA H H 1 7.955 0.020 . 1 . . . . 99 ALA H . 26927 3 412 . 2 2 99 99 ALA C C 13 177.413 0.300 . 1 . . . . 99 ALA C . 26927 3 413 . 2 2 99 99 ALA CA C 13 51.297 0.300 . 1 . . . . 99 ALA CA . 26927 3 414 . 2 2 99 99 ALA CB C 13 17.438 0.300 . 1 . . . . 99 ALA CB . 26927 3 415 . 2 2 99 99 ALA N N 15 122.260 0.300 . 1 . . . . 99 ALA N . 26927 3 416 . 2 2 100 100 VAL H H 1 7.015 0.020 . 1 . . . . 100 VAL H . 26927 3 417 . 2 2 100 100 VAL CA C 13 58.407 0.300 . 1 . . . . 100 VAL CA . 26927 3 418 . 2 2 100 100 VAL CB C 13 29.800 0.300 . 1 . . . . 100 VAL CB . 26927 3 419 . 2 2 100 100 VAL N N 15 121.536 0.300 . 1 . . . . 100 VAL N . 26927 3 420 . 2 2 102 102 PRO C C 13 178.438 0.300 . 1 . . . . 102 PRO C . 26927 3 421 . 2 2 102 102 PRO CA C 13 62.596 0.300 . 1 . . . . 102 PRO CA . 26927 3 422 . 2 2 102 102 PRO CB C 13 30.871 0.300 . 1 . . . . 102 PRO CB . 26927 3 423 . 2 2 103 103 GLY H H 1 9.000 0.020 . 1 . . . . 103 GLY H . 26927 3 424 . 2 2 103 103 GLY C C 13 173.165 0.300 . 1 . . . . 103 GLY C . 26927 3 425 . 2 2 103 103 GLY CA C 13 45.579 0.300 . 1 . . . . 103 GLY CA . 26927 3 426 . 2 2 103 103 GLY N N 15 111.741 0.300 . 1 . . . . 103 GLY N . 26927 3 427 . 2 2 104 104 GLU H H 1 7.654 0.020 . 1 . . . . 104 GLU H . 26927 3 428 . 2 2 104 104 GLU C C 13 175.304 0.300 . 1 . . . . 104 GLU C . 26927 3 429 . 2 2 104 104 GLU CA C 13 53.457 0.300 . 1 . . . . 104 GLU CA . 26927 3 430 . 2 2 104 104 GLU CB C 13 32.969 0.300 . 1 . . . . 104 GLU CB . 26927 3 431 . 2 2 104 104 GLU N N 15 118.133 0.300 . 1 . . . . 104 GLU N . 26927 3 432 . 2 2 105 105 ARG H H 1 8.400 0.020 . 1 . . . . 105 ARG H . 26927 3 433 . 2 2 105 105 ARG C C 13 174.999 0.300 . 1 . . . . 105 ARG C . 26927 3 434 . 2 2 105 105 ARG CA C 13 55.425 0.300 . 1 . . . . 105 ARG CA . 26927 3 435 . 2 2 105 105 ARG CB C 13 29.670 0.300 . 1 . . . . 105 ARG CB . 26927 3 436 . 2 2 105 105 ARG N N 15 119.853 0.300 . 1 . . . . 105 ARG N . 26927 3 437 . 2 2 106 106 ALA H H 1 8.177 0.020 . 1 . . . . 106 ALA H . 26927 3 438 . 2 2 106 106 ALA C C 13 177.485 0.300 . 1 . . . . 106 ALA C . 26927 3 439 . 2 2 106 106 ALA CA C 13 51.524 0.300 . 1 . . . . 106 ALA CA . 26927 3 440 . 2 2 106 106 ALA CB C 13 18.366 0.300 . 1 . . . . 106 ALA CB . 26927 3 441 . 2 2 106 106 ALA N N 15 122.340 0.300 . 1 . . . . 106 ALA N . 26927 3 442 . 2 2 107 107 LYS H H 1 8.776 0.020 . 1 . . . . 107 LYS H . 26927 3 443 . 2 2 107 107 LYS C C 13 172.920 0.300 . 1 . . . . 107 LYS C . 26927 3 444 . 2 2 107 107 LYS CA C 13 54.859 0.300 . 1 . . . . 107 LYS CA . 26927 3 445 . 2 2 107 107 LYS CB C 13 35.121 0.300 . 1 . . . . 107 LYS CB . 26927 3 446 . 2 2 107 107 LYS N N 15 122.092 0.300 . 1 . . . . 107 LYS N . 26927 3 447 . 2 2 108 108 ASN H H 1 8.380 0.020 . 1 . . . . 108 ASN H . 26927 3 448 . 2 2 108 108 ASN C C 13 174.154 0.300 . 1 . . . . 108 ASN C . 26927 3 449 . 2 2 108 108 ASN CA C 13 52.652 0.300 . 1 . . . . 108 ASN CA . 26927 3 450 . 2 2 108 108 ASN CB C 13 38.589 0.300 . 1 . . . . 108 ASN CB . 26927 3 451 . 2 2 108 108 ASN N N 15 121.898 0.300 . 1 . . . . 108 ASN N . 26927 3 452 . 2 2 109 109 ILE H H 1 8.975 0.020 . 1 . . . . 109 ILE H . 26927 3 453 . 2 2 109 109 ILE C C 13 173.787 0.300 . 1 . . . . 109 ILE C . 26927 3 454 . 2 2 109 109 ILE CA C 13 59.141 0.300 . 1 . . . . 109 ILE CA . 26927 3 455 . 2 2 109 109 ILE CB C 13 39.907 0.300 . 1 . . . . 109 ILE CB . 26927 3 456 . 2 2 109 109 ILE N N 15 122.251 0.300 . 1 . . . . 109 ILE N . 26927 3 457 . 2 2 110 110 GLN H H 1 9.183 0.020 . 1 . . . . 110 GLN H . 26927 3 458 . 2 2 110 110 GLN C C 13 173.336 0.300 . 1 . . . . 110 GLN C . 26927 3 459 . 2 2 110 110 GLN CA C 13 54.161 0.300 . 1 . . . . 110 GLN CA . 26927 3 460 . 2 2 110 110 GLN CB C 13 30.022 0.300 . 1 . . . . 110 GLN CB . 26927 3 461 . 2 2 110 110 GLN N N 15 129.283 0.300 . 1 . . . . 110 GLN N . 26927 3 462 . 2 2 111 111 THR H H 1 8.827 0.020 . 1 . . . . 111 THR H . 26927 3 463 . 2 2 111 111 THR C C 13 170.688 0.300 . 1 . . . . 111 THR C . 26927 3 464 . 2 2 111 111 THR CA C 13 60.529 0.300 . 1 . . . . 111 THR CA . 26927 3 465 . 2 2 111 111 THR CB C 13 69.510 0.300 . 1 . . . . 111 THR CB . 26927 3 466 . 2 2 111 111 THR N N 15 116.914 0.300 . 1 . . . . 111 THR N . 26927 3 467 . 2 2 112 112 LEU H H 1 8.148 0.020 . 1 . . . . 112 LEU H . 26927 3 468 . 2 2 112 112 LEU CA C 13 50.891 0.300 . 1 . . . . 112 LEU CA . 26927 3 469 . 2 2 112 112 LEU CB C 13 41.748 0.300 . 1 . . . . 112 LEU CB . 26927 3 470 . 2 2 112 112 LEU N N 15 128.717 0.300 . 1 . . . . 112 LEU N . 26927 3 471 . 2 2 113 113 PRO C C 13 177.323 0.300 . 1 . . . . 113 PRO C . 26927 3 472 . 2 2 113 113 PRO CA C 13 62.823 0.300 . 1 . . . . 113 PRO CA . 26927 3 473 . 2 2 113 113 PRO CB C 13 30.199 0.300 . 1 . . . . 113 PRO CB . 26927 3 474 . 2 2 114 114 GLY H H 1 8.406 0.020 . 1 . . . . 114 GLY H . 26927 3 475 . 2 2 114 114 GLY C C 13 172.640 0.300 . 1 . . . . 114 GLY C . 26927 3 476 . 2 2 114 114 GLY CA C 13 42.911 0.300 . 1 . . . . 114 GLY CA . 26927 3 477 . 2 2 114 114 GLY N N 15 106.290 0.300 . 1 . . . . 114 GLY N . 26927 3 478 . 2 2 115 115 ILE H H 1 8.470 0.020 . 1 . . . . 115 ILE H . 26927 3 479 . 2 2 115 115 ILE C C 13 175.644 0.300 . 1 . . . . 115 ILE C . 26927 3 480 . 2 2 115 115 ILE CA C 13 58.922 0.300 . 1 . . . . 115 ILE CA . 26927 3 481 . 2 2 115 115 ILE N N 15 115.440 0.300 . 1 . . . . 115 ILE N . 26927 3 482 . 2 2 116 116 PHE H H 1 9.505 0.020 . 1 . . . . 116 PHE H . 26927 3 483 . 2 2 116 116 PHE C C 13 174.623 0.300 . 1 . . . . 116 PHE C . 26927 3 484 . 2 2 116 116 PHE CA C 13 51.913 0.300 . 1 . . . . 116 PHE CA . 26927 3 485 . 2 2 116 116 PHE CB C 13 43.041 0.300 . 1 . . . . 116 PHE CB . 26927 3 486 . 2 2 116 116 PHE N N 15 122.910 0.300 . 1 . . . . 116 PHE N . 26927 3 487 . 2 2 117 117 LYS H H 1 9.409 0.020 . 1 . . . . 117 LYS H . 26927 3 488 . 2 2 117 117 LYS C C 13 176.487 0.300 . 1 . . . . 117 LYS C . 26927 3 489 . 2 2 117 117 LYS CA C 13 55.156 0.300 . 1 . . . . 117 LYS CA . 26927 3 490 . 2 2 117 117 LYS CB C 13 30.632 0.300 . 1 . . . . 117 LYS CB . 26927 3 491 . 2 2 117 117 LYS N N 15 125.022 0.300 . 1 . . . . 117 LYS N . 26927 3 492 . 2 2 118 118 THR H H 1 7.916 0.020 . 1 . . . . 118 THR H . 26927 3 493 . 2 2 118 118 THR C C 13 176.643 0.300 . 1 . . . . 118 THR C . 26927 3 494 . 2 2 118 118 THR CA C 13 59.139 0.300 . 1 . . . . 118 THR CA . 26927 3 495 . 2 2 118 118 THR CB C 13 72.781 0.300 . 1 . . . . 118 THR CB . 26927 3 496 . 2 2 118 118 THR N N 15 115.266 0.300 . 1 . . . . 118 THR N . 26927 3 497 . 2 2 119 119 LYS H H 1 9.195 0.020 . 1 . . . . 119 LYS H . 26927 3 498 . 2 2 119 119 LYS C C 13 176.483 0.300 . 1 . . . . 119 LYS C . 26927 3 499 . 2 2 119 119 LYS CA C 13 57.879 0.300 . 1 . . . . 119 LYS CA . 26927 3 500 . 2 2 119 119 LYS CB C 13 30.748 0.300 . 1 . . . . 119 LYS CB . 26927 3 501 . 2 2 119 119 LYS N N 15 120.685 0.300 . 1 . . . . 119 LYS N . 26927 3 502 . 2 2 120 120 ASP H H 1 7.908 0.020 . 1 . . . . 120 ASP H . 26927 3 503 . 2 2 120 120 ASP C C 13 175.080 0.300 . 1 . . . . 120 ASP C . 26927 3 504 . 2 2 120 120 ASP CA C 13 53.860 0.300 . 1 . . . . 120 ASP CA . 26927 3 505 . 2 2 120 120 ASP CB C 13 41.877 0.300 . 1 . . . . 120 ASP CB . 26927 3 506 . 2 2 120 120 ASP N N 15 116.798 0.300 . 1 . . . . 120 ASP N . 26927 3 507 . 2 2 121 121 GLY H H 1 7.423 0.020 . 1 . . . . 121 GLY H . 26927 3 508 . 2 2 121 121 GLY C C 13 173.667 0.300 . 1 . . . . 121 GLY C . 26927 3 509 . 2 2 121 121 GLY CA C 13 43.819 0.300 . 1 . . . . 121 GLY CA . 26927 3 510 . 2 2 121 121 GLY N N 15 108.339 0.300 . 1 . . . . 121 GLY N . 26927 3 511 . 2 2 122 122 ASP H H 1 8.701 0.020 . 1 . . . . 122 ASP H . 26927 3 512 . 2 2 122 122 ASP C C 13 176.822 0.300 . 1 . . . . 122 ASP C . 26927 3 513 . 2 2 122 122 ASP CA C 13 53.649 0.300 . 1 . . . . 122 ASP CA . 26927 3 514 . 2 2 122 122 ASP CB C 13 41.008 0.300 . 1 . . . . 122 ASP CB . 26927 3 515 . 2 2 122 122 ASP N N 15 122.536 0.300 . 1 . . . . 122 ASP N . 26927 3 516 . 2 2 123 123 ILE H H 1 9.365 0.020 . 1 . . . . 123 ILE H . 26927 3 517 . 2 2 123 123 ILE C C 13 175.555 0.300 . 1 . . . . 123 ILE C . 26927 3 518 . 2 2 123 123 ILE CA C 13 59.846 0.300 . 1 . . . . 123 ILE CA . 26927 3 519 . 2 2 123 123 ILE CB C 13 41.317 0.300 . 1 . . . . 123 ILE CB . 26927 3 520 . 2 2 123 123 ILE N N 15 123.366 0.300 . 1 . . . . 123 ILE N . 26927 3 521 . 2 2 124 124 GLY H H 1 9.441 0.020 . 1 . . . . 124 GLY H . 26927 3 522 . 2 2 124 124 GLY C C 13 171.649 0.300 . 1 . . . . 124 GLY C . 26927 3 523 . 2 2 124 124 GLY CA C 13 46.429 0.300 . 1 . . . . 124 GLY CA . 26927 3 524 . 2 2 124 124 GLY N N 15 112.499 0.300 . 1 . . . . 124 GLY N . 26927 3 525 . 2 2 125 125 ALA H H 1 7.591 0.020 . 1 . . . . 125 ALA H . 26927 3 526 . 2 2 125 125 ALA C C 13 175.923 0.300 . 1 . . . . 125 ALA C . 26927 3 527 . 2 2 125 125 ALA CA C 13 50.050 0.300 . 1 . . . . 125 ALA CA . 26927 3 528 . 2 2 125 125 ALA CB C 13 20.817 0.300 . 1 . . . . 125 ALA CB . 26927 3 529 . 2 2 125 125 ALA N N 15 123.593 0.300 . 1 . . . . 125 ALA N . 26927 3 530 . 2 2 126 126 VAL H H 1 9.103 0.020 . 1 . . . . 126 VAL H . 26927 3 531 . 2 2 126 126 VAL C C 13 174.478 0.300 . 1 . . . . 126 VAL C . 26927 3 532 . 2 2 126 126 VAL CA C 13 57.536 0.300 . 1 . . . . 126 VAL CA . 26927 3 533 . 2 2 126 126 VAL CB C 13 33.276 0.300 . 1 . . . . 126 VAL CB . 26927 3 534 . 2 2 126 126 VAL N N 15 111.761 0.300 . 1 . . . . 126 VAL N . 26927 3 535 . 2 2 127 127 ALA H H 1 9.728 0.020 . 1 . . . . 127 ALA H . 26927 3 536 . 2 2 127 127 ALA C C 13 175.087 0.300 . 1 . . . . 127 ALA C . 26927 3 537 . 2 2 127 127 ALA CA C 13 49.705 0.300 . 1 . . . . 127 ALA CA . 26927 3 538 . 2 2 127 127 ALA CB C 13 16.744 0.300 . 1 . . . . 127 ALA CB . 26927 3 539 . 2 2 127 127 ALA N N 15 135.315 0.300 . 1 . . . . 127 ALA N . 26927 3 540 . 2 2 128 128 LEU H H 1 7.107 0.020 . 1 . . . . 128 LEU H . 26927 3 541 . 2 2 128 128 LEU C C 13 175.860 0.300 . 1 . . . . 128 LEU C . 26927 3 542 . 2 2 128 128 LEU CA C 13 52.791 0.300 . 1 . . . . 128 LEU CA . 26927 3 543 . 2 2 128 128 LEU CB C 13 45.306 0.300 . 1 . . . . 128 LEU CB . 26927 3 544 . 2 2 128 128 LEU N N 15 117.599 0.300 . 1 . . . . 128 LEU N . 26927 3 545 . 2 2 129 129 ASP H H 1 9.107 0.020 . 1 . . . . 129 ASP H . 26927 3 546 . 2 2 129 129 ASP C C 13 172.470 0.300 . 1 . . . . 129 ASP C . 26927 3 547 . 2 2 129 129 ASP CA C 13 54.083 0.300 . 1 . . . . 129 ASP CA . 26927 3 548 . 2 2 129 129 ASP CB C 13 42.268 0.300 . 1 . . . . 129 ASP CB . 26927 3 549 . 2 2 129 129 ASP N N 15 127.235 0.300 . 1 . . . . 129 ASP N . 26927 3 550 . 2 2 130 130 TYR H H 1 7.494 0.020 . 1 . . . . 130 TYR H . 26927 3 551 . 2 2 130 130 TYR CA C 13 56.549 0.300 . 1 . . . . 130 TYR CA . 26927 3 552 . 2 2 130 130 TYR CB C 13 39.490 0.300 . 1 . . . . 130 TYR CB . 26927 3 553 . 2 2 130 130 TYR N N 15 124.320 0.300 . 1 . . . . 130 TYR N . 26927 3 554 . 2 2 133 133 GLY H H 1 9.174 0.020 . 1 . . . . 133 GLY H . 26927 3 555 . 2 2 133 133 GLY C C 13 173.655 0.300 . 1 . . . . 133 GLY C . 26927 3 556 . 2 2 133 133 GLY CA C 13 44.490 0.300 . 1 . . . . 133 GLY CA . 26927 3 557 . 2 2 133 133 GLY N N 15 110.853 0.300 . 1 . . . . 133 GLY N . 26927 3 558 . 2 2 134 134 THR H H 1 8.109 0.020 . 1 . . . . 134 THR H . 26927 3 559 . 2 2 134 134 THR C C 13 175.868 0.300 . 1 . . . . 134 THR C . 26927 3 560 . 2 2 134 134 THR CA C 13 63.230 0.300 . 1 . . . . 134 THR CA . 26927 3 561 . 2 2 134 134 THR CB C 13 68.193 0.300 . 1 . . . . 134 THR CB . 26927 3 562 . 2 2 134 134 THR N N 15 115.258 0.300 . 1 . . . . 134 THR N . 26927 3 563 . 2 2 135 135 SER H H 1 8.658 0.020 . 1 . . . . 135 SER H . 26927 3 564 . 2 2 135 135 SER C C 13 172.038 0.300 . 1 . . . . 135 SER C . 26927 3 565 . 2 2 135 135 SER CA C 13 59.768 0.300 . 1 . . . . 135 SER CA . 26927 3 566 . 2 2 135 135 SER CB C 13 63.271 0.300 . 1 . . . . 135 SER CB . 26927 3 567 . 2 2 135 135 SER N N 15 119.729 0.300 . 1 . . . . 135 SER N . 26927 3 568 . 2 2 136 136 GLY H H 1 9.612 0.020 . 1 . . . . 136 GLY H . 26927 3 569 . 2 2 136 136 GLY C C 13 172.765 0.300 . 1 . . . . 136 GLY C . 26927 3 570 . 2 2 136 136 GLY CA C 13 43.983 0.300 . 1 . . . . 136 GLY CA . 26927 3 571 . 2 2 136 136 GLY N N 15 109.274 0.300 . 1 . . . . 136 GLY N . 26927 3 572 . 2 2 137 137 SER H H 1 7.680 0.020 . 1 . . . . 137 SER H . 26927 3 573 . 2 2 137 137 SER CA C 13 58.469 0.300 . 1 . . . . 137 SER CA . 26927 3 574 . 2 2 137 137 SER CB C 13 62.868 0.300 . 1 . . . . 137 SER CB . 26927 3 575 . 2 2 137 137 SER N N 15 115.620 0.300 . 1 . . . . 137 SER N . 26927 3 576 . 2 2 138 138 PRO C C 13 173.631 0.300 . 1 . . . . 138 PRO C . 26927 3 577 . 2 2 138 138 PRO CA C 13 62.085 0.300 . 1 . . . . 138 PRO CA . 26927 3 578 . 2 2 138 138 PRO CB C 13 32.252 0.300 . 1 . . . . 138 PRO CB . 26927 3 579 . 2 2 139 139 ILE H H 1 8.552 0.020 . 1 . . . . 139 ILE H . 26927 3 580 . 2 2 139 139 ILE C C 13 174.708 0.300 . 1 . . . . 139 ILE C . 26927 3 581 . 2 2 139 139 ILE CA C 13 59.036 0.300 . 1 . . . . 139 ILE CA . 26927 3 582 . 2 2 139 139 ILE CB C 13 37.774 0.300 . 1 . . . . 139 ILE CB . 26927 3 583 . 2 2 139 139 ILE N N 15 120.391 0.300 . 1 . . . . 139 ILE N . 26927 3 584 . 2 2 140 140 LEU H H 1 9.981 0.020 . 1 . . . . 140 LEU H . 26927 3 585 . 2 2 140 140 LEU C C 13 177.672 0.300 . 1 . . . . 140 LEU C . 26927 3 586 . 2 2 140 140 LEU CA C 13 53.367 0.300 . 1 . . . . 140 LEU CA . 26927 3 587 . 2 2 140 140 LEU CB C 13 45.464 0.300 . 1 . . . . 140 LEU CB . 26927 3 588 . 2 2 140 140 LEU N N 15 126.825 0.300 . 1 . . . . 140 LEU N . 26927 3 589 . 2 2 141 141 ASP H H 1 8.481 0.020 . 1 . . . . 141 ASP H . 26927 3 590 . 2 2 141 141 ASP C C 13 177.838 0.300 . 1 . . . . 141 ASP C . 26927 3 591 . 2 2 141 141 ASP CA C 13 51.255 0.300 . 1 . . . . 141 ASP CA . 26927 3 592 . 2 2 141 141 ASP CB C 13 42.004 0.300 . 1 . . . . 141 ASP CB . 26927 3 593 . 2 2 141 141 ASP N N 15 117.356 0.300 . 1 . . . . 141 ASP N . 26927 3 594 . 2 2 142 142 LYS H H 1 7.825 0.020 . 1 . . . . 142 LYS H . 26927 3 595 . 2 2 142 142 LYS C C 13 177.560 0.300 . 1 . . . . 142 LYS C . 26927 3 596 . 2 2 142 142 LYS CA C 13 57.037 0.300 . 1 . . . . 142 LYS CA . 26927 3 597 . 2 2 142 142 LYS CB C 13 30.440 0.300 . 1 . . . . 142 LYS CB . 26927 3 598 . 2 2 142 142 LYS N N 15 114.987 0.300 . 1 . . . . 142 LYS N . 26927 3 599 . 2 2 143 143 CYS H H 1 7.896 0.020 . 1 . . . . 143 CYS H . 26927 3 600 . 2 2 143 143 CYS C C 13 175.196 0.300 . 1 . . . . 143 CYS C . 26927 3 601 . 2 2 143 143 CYS CA C 13 55.274 0.300 . 1 . . . . 143 CYS CA . 26927 3 602 . 2 2 143 143 CYS CB C 13 40.187 0.300 . 1 . . . . 143 CYS CB . 26927 3 603 . 2 2 143 143 CYS N N 15 117.659 0.300 . 1 . . . . 143 CYS N . 26927 3 604 . 2 2 144 144 GLY H H 1 8.994 0.020 . 1 . . . . 144 GLY H . 26927 3 605 . 2 2 144 144 GLY C C 13 173.087 0.300 . 1 . . . . 144 GLY C . 26927 3 606 . 2 2 144 144 GLY CA C 13 45.056 0.300 . 1 . . . . 144 GLY CA . 26927 3 607 . 2 2 144 144 GLY N N 15 110.391 0.300 . 1 . . . . 144 GLY N . 26927 3 608 . 2 2 145 145 ARG H H 1 8.205 0.020 . 1 . . . . 145 ARG H . 26927 3 609 . 2 2 145 145 ARG C C 13 176.020 0.300 . 1 . . . . 145 ARG C . 26927 3 610 . 2 2 145 145 ARG CA C 13 54.722 0.300 . 1 . . . . 145 ARG CA . 26927 3 611 . 2 2 145 145 ARG CB C 13 29.422 0.300 . 1 . . . . 145 ARG CB . 26927 3 612 . 2 2 145 145 ARG N N 15 119.021 0.300 . 1 . . . . 145 ARG N . 26927 3 613 . 2 2 146 146 VAL H H 1 8.529 0.020 . 1 . . . . 146 VAL H . 26927 3 614 . 2 2 146 146 VAL C C 13 176.510 0.300 . 1 . . . . 146 VAL C . 26927 3 615 . 2 2 146 146 VAL CA C 13 62.627 0.300 . 1 . . . . 146 VAL CA . 26927 3 616 . 2 2 146 146 VAL CB C 13 30.188 0.300 . 1 . . . . 146 VAL CB . 26927 3 617 . 2 2 146 146 VAL N N 15 119.838 0.300 . 1 . . . . 146 VAL N . 26927 3 618 . 2 2 147 147 ILE H H 1 9.082 0.020 . 1 . . . . 147 ILE H . 26927 3 619 . 2 2 147 147 ILE C C 13 174.143 0.300 . 1 . . . . 147 ILE C . 26927 3 620 . 2 2 147 147 ILE CA C 13 60.434 0.300 . 1 . . . . 147 ILE CA . 26927 3 621 . 2 2 147 147 ILE CB C 13 37.268 0.300 . 1 . . . . 147 ILE CB . 26927 3 622 . 2 2 147 147 ILE N N 15 122.675 0.300 . 1 . . . . 147 ILE N . 26927 3 623 . 2 2 148 148 GLY H H 1 7.407 0.020 . 1 . . . . 148 GLY H . 26927 3 624 . 2 2 148 148 GLY C C 13 170.051 0.300 . 1 . . . . 148 GLY C . 26927 3 625 . 2 2 148 148 GLY CA C 13 43.914 0.300 . 1 . . . . 148 GLY CA . 26927 3 626 . 2 2 148 148 GLY N N 15 104.711 0.300 . 1 . . . . 148 GLY N . 26927 3 627 . 2 2 149 149 LEU H H 1 9.513 0.020 . 1 . . . . 149 LEU H . 26927 3 628 . 2 2 149 149 LEU C C 13 174.465 0.300 . 1 . . . . 149 LEU C . 26927 3 629 . 2 2 149 149 LEU CA C 13 52.921 0.300 . 1 . . . . 149 LEU CA . 26927 3 630 . 2 2 149 149 LEU CB C 13 43.193 0.300 . 1 . . . . 149 LEU CB . 26927 3 631 . 2 2 149 149 LEU N N 15 116.149 0.300 . 1 . . . . 149 LEU N . 26927 3 632 . 2 2 150 150 TYR H H 1 9.091 0.020 . 1 . . . . 150 TYR H . 26927 3 633 . 2 2 150 150 TYR CA C 13 58.908 0.300 . 1 . . . . 150 TYR CA . 26927 3 634 . 2 2 150 150 TYR CB C 13 39.310 0.300 . 1 . . . . 150 TYR CB . 26927 3 635 . 2 2 150 150 TYR N N 15 122.571 0.300 . 1 . . . . 150 TYR N . 26927 3 636 . 2 2 153 153 GLY H H 1 8.740 0.020 . 1 . . . . 153 GLY H . 26927 3 637 . 2 2 153 153 GLY C C 13 171.364 0.300 . 1 . . . . 153 GLY C . 26927 3 638 . 2 2 153 153 GLY CA C 13 45.827 0.300 . 1 . . . . 153 GLY CA . 26927 3 639 . 2 2 153 153 GLY N N 15 114.044 0.300 . 1 . . . . 153 GLY N . 26927 3 640 . 2 2 154 154 VAL H H 1 8.818 0.020 . 1 . . . . 154 VAL H . 26927 3 641 . 2 2 154 154 VAL C C 13 171.936 0.300 . 1 . . . . 154 VAL C . 26927 3 642 . 2 2 154 154 VAL CA C 13 58.892 0.300 . 1 . . . . 154 VAL CA . 26927 3 643 . 2 2 154 154 VAL CB C 13 35.511 0.300 . 1 . . . . 154 VAL CB . 26927 3 644 . 2 2 154 154 VAL N N 15 118.699 0.300 . 1 . . . . 154 VAL N . 26927 3 645 . 2 2 155 155 VAL H H 1 8.089 0.020 . 1 . . . . 155 VAL H . 26927 3 646 . 2 2 155 155 VAL C C 13 177.364 0.300 . 1 . . . . 155 VAL C . 26927 3 647 . 2 2 155 155 VAL CA C 13 61.085 0.300 . 1 . . . . 155 VAL CA . 26927 3 648 . 2 2 155 155 VAL CB C 13 31.557 0.300 . 1 . . . . 155 VAL CB . 26927 3 649 . 2 2 155 155 VAL N N 15 122.514 0.300 . 1 . . . . 155 VAL N . 26927 3 650 . 2 2 156 156 ILE H H 1 8.371 0.020 . 1 . . . . 156 ILE H . 26927 3 651 . 2 2 156 156 ILE C C 13 178.006 0.300 . 1 . . . . 156 ILE C . 26927 3 652 . 2 2 156 156 ILE CA C 13 60.817 0.300 . 1 . . . . 156 ILE CA . 26927 3 653 . 2 2 156 156 ILE CB C 13 36.898 0.300 . 1 . . . . 156 ILE CB . 26927 3 654 . 2 2 156 156 ILE N N 15 120.771 0.300 . 1 . . . . 156 ILE N . 26927 3 655 . 2 2 157 157 LYS H H 1 8.495 0.020 . 1 . . . . 157 LYS H . 26927 3 656 . 2 2 157 157 LYS C C 13 177.658 0.300 . 1 . . . . 157 LYS C . 26927 3 657 . 2 2 157 157 LYS CA C 13 59.450 0.300 . 1 . . . . 157 LYS CA . 26927 3 658 . 2 2 157 157 LYS CB C 13 30.626 0.300 . 1 . . . . 157 LYS CB . 26927 3 659 . 2 2 157 157 LYS N N 15 119.687 0.300 . 1 . . . . 157 LYS N . 26927 3 660 . 2 2 158 158 ASN H H 1 7.845 0.020 . 1 . . . . 158 ASN H . 26927 3 661 . 2 2 158 158 ASN C C 13 176.566 0.300 . 1 . . . . 158 ASN C . 26927 3 662 . 2 2 158 158 ASN CA C 13 52.407 0.300 . 1 . . . . 158 ASN CA . 26927 3 663 . 2 2 158 158 ASN CB C 13 36.441 0.300 . 1 . . . . 158 ASN CB . 26927 3 664 . 2 2 158 158 ASN N N 15 114.199 0.300 . 1 . . . . 158 ASN N . 26927 3 665 . 2 2 159 159 GLY H H 1 8.462 0.020 . 1 . . . . 159 GLY H . 26927 3 666 . 2 2 159 159 GLY C C 13 174.309 0.300 . 1 . . . . 159 GLY C . 26927 3 667 . 2 2 159 159 GLY CA C 13 44.622 0.300 . 1 . . . . 159 GLY CA . 26927 3 668 . 2 2 159 159 GLY N N 15 108.297 0.300 . 1 . . . . 159 GLY N . 26927 3 669 . 2 2 160 160 SER H H 1 7.830 0.020 . 1 . . . . 160 SER H . 26927 3 670 . 2 2 160 160 SER C C 13 171.309 0.300 . 1 . . . . 160 SER C . 26927 3 671 . 2 2 160 160 SER CA C 13 58.485 0.300 . 1 . . . . 160 SER CA . 26927 3 672 . 2 2 160 160 SER CB C 13 63.610 0.300 . 1 . . . . 160 SER CB . 26927 3 673 . 2 2 160 160 SER N N 15 117.047 0.300 . 1 . . . . 160 SER N . 26927 3 674 . 2 2 161 161 TYR H H 1 7.745 0.020 . 1 . . . . 161 TYR H . 26927 3 675 . 2 2 161 161 TYR CA C 13 56.914 0.300 . 1 . . . . 161 TYR CA . 26927 3 676 . 2 2 161 161 TYR CB C 13 41.439 0.300 . 1 . . . . 161 TYR CB . 26927 3 677 . 2 2 161 161 TYR N N 15 121.486 0.300 . 1 . . . . 161 TYR N . 26927 3 678 . 2 2 162 162 VAL C C 13 174.025 0.300 . 1 . . . . 162 VAL C . 26927 3 679 . 2 2 162 162 VAL CA C 13 59.989 0.300 . 1 . . . . 162 VAL CA . 26927 3 680 . 2 2 162 162 VAL CB C 13 33.825 0.300 . 1 . . . . 162 VAL CB . 26927 3 681 . 2 2 163 163 SER H H 1 8.284 0.020 . 1 . . . . 163 SER H . 26927 3 682 . 2 2 163 163 SER C C 13 175.176 0.300 . 1 . . . . 163 SER C . 26927 3 683 . 2 2 163 163 SER CA C 13 55.409 0.300 . 1 . . . . 163 SER CA . 26927 3 684 . 2 2 163 163 SER CB C 13 66.576 0.300 . 1 . . . . 163 SER CB . 26927 3 685 . 2 2 163 163 SER N N 15 116.405 0.300 . 1 . . . . 163 SER N . 26927 3 686 . 2 2 164 164 ALA H H 1 9.134 0.020 . 1 . . . . 164 ALA H . 26927 3 687 . 2 2 164 164 ALA C C 13 180.024 0.300 . 1 . . . . 164 ALA C . 26927 3 688 . 2 2 164 164 ALA CA C 13 53.007 0.300 . 1 . . . . 164 ALA CA . 26927 3 689 . 2 2 164 164 ALA CB C 13 18.150 0.300 . 1 . . . . 164 ALA CB . 26927 3 690 . 2 2 164 164 ALA N N 15 129.391 0.300 . 1 . . . . 164 ALA N . 26927 3 691 . 2 2 165 165 ILE H H 1 8.508 0.020 . 1 . . . . 165 ILE H . 26927 3 692 . 2 2 165 165 ILE C C 13 174.587 0.300 . 1 . . . . 165 ILE C . 26927 3 693 . 2 2 165 165 ILE CA C 13 61.724 0.300 . 1 . . . . 165 ILE CA . 26927 3 694 . 2 2 165 165 ILE CB C 13 35.330 0.300 . 1 . . . . 165 ILE CB . 26927 3 695 . 2 2 165 165 ILE N N 15 125.222 0.300 . 1 . . . . 165 ILE N . 26927 3 696 . 2 2 166 166 THR H H 1 7.431 0.020 . 1 . . . . 166 THR H . 26927 3 697 . 2 2 166 166 THR C C 13 172.745 0.300 . 1 . . . . 166 THR C . 26927 3 698 . 2 2 166 166 THR CA C 13 64.008 0.300 . 1 . . . . 166 THR CA . 26927 3 699 . 2 2 166 166 THR CB C 13 68.302 0.300 . 1 . . . . 166 THR CB . 26927 3 700 . 2 2 166 166 THR N N 15 122.711 0.300 . 1 . . . . 166 THR N . 26927 3 701 . 2 2 167 167 GLN H H 1 8.804 0.020 . 1 . . . . 167 GLN H . 26927 3 702 . 2 2 167 167 GLN C C 13 175.980 0.300 . 1 . . . . 167 GLN C . 26927 3 703 . 2 2 167 167 GLN CA C 13 51.974 0.300 . 1 . . . . 167 GLN CA . 26927 3 704 . 2 2 167 167 GLN CB C 13 32.023 0.300 . 1 . . . . 167 GLN CB . 26927 3 705 . 2 2 167 167 GLN N N 15 129.266 0.300 . 1 . . . . 167 GLN N . 26927 3 706 . 2 2 168 168 GLY H H 1 8.339 0.020 . 1 . . . . 168 GLY H . 26927 3 707 . 2 2 168 168 GLY C C 13 172.349 0.300 . 1 . . . . 168 GLY C . 26927 3 708 . 2 2 168 168 GLY CA C 13 43.715 0.300 . 1 . . . . 168 GLY CA . 26927 3 709 . 2 2 168 168 GLY N N 15 115.792 0.300 . 1 . . . . 168 GLY N . 26927 3 710 . 2 2 169 169 LYS H H 1 8.105 0.020 . 1 . . . . 169 LYS H . 26927 3 711 . 2 2 169 169 LYS C C 13 175.609 0.300 . 1 . . . . 169 LYS C . 26927 3 712 . 2 2 169 169 LYS CA C 13 54.667 0.300 . 1 . . . . 169 LYS CA . 26927 3 713 . 2 2 169 169 LYS CB C 13 33.018 0.300 . 1 . . . . 169 LYS CB . 26927 3 714 . 2 2 169 169 LYS N N 15 121.844 0.300 . 1 . . . . 169 LYS N . 26927 3 715 . 2 2 170 170 ARG H H 1 8.655 0.020 . 1 . . . . 170 ARG H . 26927 3 716 . 2 2 170 170 ARG C C 13 176.186 0.300 . 1 . . . . 170 ARG C . 26927 3 717 . 2 2 170 170 ARG CA C 13 55.189 0.300 . 1 . . . . 170 ARG CA . 26927 3 718 . 2 2 170 170 ARG CB C 13 29.832 0.300 . 1 . . . . 170 ARG CB . 26927 3 719 . 2 2 170 170 ARG N N 15 125.227 0.300 . 1 . . . . 170 ARG N . 26927 3 720 . 2 2 171 171 GLU H H 1 8.578 0.020 . 1 . . . . 171 GLU H . 26927 3 721 . 2 2 171 171 GLU CA C 13 55.557 0.300 . 1 . . . . 171 GLU CA . 26927 3 722 . 2 2 171 171 GLU CB C 13 29.766 0.300 . 1 . . . . 171 GLU CB . 26927 3 723 . 2 2 171 171 GLU N N 15 125.288 0.300 . 1 . . . . 171 GLU N . 26927 3 724 . 2 2 172 172 GLU C C 13 176.333 0.300 . 1 . . . . 172 GLU C . 26927 3 725 . 2 2 172 172 GLU CA C 13 55.693 0.300 . 1 . . . . 172 GLU CA . 26927 3 726 . 2 2 172 172 GLU CB C 13 29.570 0.300 . 1 . . . . 172 GLU CB . 26927 3 727 . 2 2 173 173 GLU H H 1 8.590 0.020 . 1 . . . . 173 GLU H . 26927 3 728 . 2 2 173 173 GLU C C 13 176.404 0.300 . 1 . . . . 173 GLU C . 26927 3 729 . 2 2 173 173 GLU CA C 13 55.816 0.300 . 1 . . . . 173 GLU CA . 26927 3 730 . 2 2 173 173 GLU CB C 13 29.553 0.300 . 1 . . . . 173 GLU CB . 26927 3 731 . 2 2 173 173 GLU N N 15 122.569 0.300 . 1 . . . . 173 GLU N . 26927 3 732 . 2 2 174 174 THR H H 1 8.400 0.020 . 1 . . . . 174 THR H . 26927 3 733 . 2 2 174 174 THR CA C 13 59.580 0.300 . 1 . . . . 174 THR CA . 26927 3 734 . 2 2 174 174 THR CB C 13 69.255 0.300 . 1 . . . . 174 THR CB . 26927 3 735 . 2 2 174 174 THR N N 15 119.128 0.300 . 1 . . . . 174 THR N . 26927 3 736 . 2 2 175 175 PRO C C 13 176.875 0.300 . 1 . . . . 175 PRO C . 26927 3 737 . 2 2 175 175 PRO CA C 13 62.574 0.300 . 1 . . . . 175 PRO CA . 26927 3 738 . 2 2 175 175 PRO CB C 13 31.148 0.300 . 1 . . . . 175 PRO CB . 26927 3 739 . 2 2 176 176 VAL H H 1 8.344 0.020 . 1 . . . . 176 VAL H . 26927 3 740 . 2 2 176 176 VAL C C 13 175.494 0.300 . 1 . . . . 176 VAL C . 26927 3 741 . 2 2 176 176 VAL CA C 13 61.995 0.300 . 1 . . . . 176 VAL CA . 26927 3 742 . 2 2 176 176 VAL CB C 13 31.847 0.300 . 1 . . . . 176 VAL CB . 26927 3 743 . 2 2 176 176 VAL N N 15 120.977 0.300 . 1 . . . . 176 VAL N . 26927 3 744 . 2 2 177 177 GLU H H 1 7.979 0.020 . 1 . . . . 177 GLU H . 26927 3 745 . 2 2 177 177 GLU CA C 13 57.440 0.300 . 1 . . . . 177 GLU CA . 26927 3 746 . 2 2 177 177 GLU CB C 13 30.319 0.300 . 1 . . . . 177 GLU CB . 26927 3 747 . 2 2 177 177 GLU N N 15 129.084 0.300 . 1 . . . . 177 GLU N . 26927 3 stop_ save_