data_26873 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26873 _Entry.Title ; Backbone assignment of NS2B-NS3 Protease from Zika Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-09 _Entry.Accession_date 2016-08-09 _Entry.Last_release_date 2016-11-21 _Entry.Original_release_date 2016-11-21 _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 . . . . 26873 2 'Wint Wint' Phoo . . . . 26873 3 Zhenzhen Zhang . . . . 26873 4 'Michelle Yueqi' Lee . . . . 26873 5 'Ying Ru' Loh . . . . 26873 6 'Yaw Bia' Tan . . . . 26873 7 'Elizabeth Yihui' Ng . . . . 26873 8 Julien Lescar . . . . 26873 9 CongBao Kang . . . . 26873 10 Dahai Luo . . . . 26873 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 26873 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 641 26873 '15N chemical shifts' 214 26873 '1H chemical shifts' 214 26873 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-11-21 . original BMRB . 26873 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26873 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27845325 _Citation.Full_citation . _Citation.Title ; Structure of the NS2B-NS3 protease from Zika virus after self-cleavage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 7 _Citation.Journal_issue . _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 13410 _Citation.Page_last 13410 _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 'Wint Wint' Phoo . . . . 26873 1 2 Yan Li . . . . 26873 1 3 Zhenzhen Zhang . . . . 26873 1 4 'Michelle Yueqi' Lee . . . . 26873 1 5 'Ying Ru' Loh . . . . 26873 1 6 'Yaw Bia' Tan . . . . 26873 1 7 'Elizabeth Yihui' Ng . . . . 26873 1 8 Julien Lescar . . . . 26873 1 9 CongBao Kang . . . . 26873 1 10 Dahai Luo . . . . 26873 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26873 _Assembly.ID 1 _Assembly.Name 'NS2B-NS3 Protease from Zika Virus' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; This is a construct containing 45-96 of NS2B and 1-177 of NS3 of Zika virus. The two sequence is linked through a sequence (T127-R130) of NS2B, and then auto-cleaved into Tag-NS2B(T45-E96)-(T1127-R130) and NS3 fragment (1-177) after purification. ; _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 . . . 26873 1 2 'NS3 fragment (1-177)' 2 $NS3_fragment B . yes native no no . . . 26873 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS2B_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS2B_fragment _Entity.Entry_ID 26873 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NS2B fragment (45-96)' _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 FSLVEEDGPPMREKTGKR ; _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 78 _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 . 26873 1 2 . GLY . 26873 1 3 . SER . 26873 1 4 . SER . 26873 1 5 . HIS . 26873 1 6 . HIS . 26873 1 7 . HIS . 26873 1 8 . HIS . 26873 1 9 . HIS . 26873 1 10 . HIS . 26873 1 11 . SER . 26873 1 12 . SER . 26873 1 13 . GLY . 26873 1 14 . LEU . 26873 1 15 . VAL . 26873 1 16 . PRO . 26873 1 17 . ARG . 26873 1 18 . GLY . 26873 1 19 . SER . 26873 1 20 . HIS . 26873 1 21 . MET . 26873 1 22 45 THR . 26873 1 23 46 GLY . 26873 1 24 47 LYS . 26873 1 25 48 SER . 26873 1 26 49 VAL . 26873 1 27 50 ASP . 26873 1 28 51 MET . 26873 1 29 52 TYR . 26873 1 30 53 ILE . 26873 1 31 54 GLU . 26873 1 32 55 ARG . 26873 1 33 56 ALA . 26873 1 34 57 GLY . 26873 1 35 58 ASP . 26873 1 36 59 ILE . 26873 1 37 60 THR . 26873 1 38 61 TRP . 26873 1 39 62 GLU . 26873 1 40 63 LYS . 26873 1 41 64 ASP . 26873 1 42 65 ALA . 26873 1 43 66 GLU . 26873 1 44 67 VAL . 26873 1 45 68 THR . 26873 1 46 69 GLY . 26873 1 47 70 ASN . 26873 1 48 71 SER . 26873 1 49 72 PRO . 26873 1 50 73 ARG . 26873 1 51 74 LEU . 26873 1 52 75 ASP . 26873 1 53 76 VAL . 26873 1 54 77 ALA . 26873 1 55 78 LEU . 26873 1 56 79 ASP . 26873 1 57 80 GLU . 26873 1 58 81 SER . 26873 1 59 82 GLY . 26873 1 60 83 ASP . 26873 1 61 84 PHE . 26873 1 62 85 SER . 26873 1 63 86 LEU . 26873 1 64 87 VAL . 26873 1 65 88 GLU . 26873 1 66 89 GLU . 26873 1 67 90 ASP . 26873 1 68 91 GLY . 26873 1 69 92 PRO . 26873 1 70 93 PRO . 26873 1 71 94 MET . 26873 1 72 95 ARG . 26873 1 73 96 GLU . 26873 1 74 126 LYS . 26873 1 75 127 THR . 26873 1 76 128 GLY . 26873 1 77 129 LYS . 26873 1 78 130 ARG . 26873 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 26873 1 . GLY 2 2 26873 1 . SER 3 3 26873 1 . SER 4 4 26873 1 . HIS 5 5 26873 1 . HIS 6 6 26873 1 . HIS 7 7 26873 1 . HIS 8 8 26873 1 . HIS 9 9 26873 1 . HIS 10 10 26873 1 . SER 11 11 26873 1 . SER 12 12 26873 1 . GLY 13 13 26873 1 . LEU 14 14 26873 1 . VAL 15 15 26873 1 . PRO 16 16 26873 1 . ARG 17 17 26873 1 . GLY 18 18 26873 1 . SER 19 19 26873 1 . HIS 20 20 26873 1 . MET 21 21 26873 1 . THR 22 22 26873 1 . GLY 23 23 26873 1 . LYS 24 24 26873 1 . SER 25 25 26873 1 . VAL 26 26 26873 1 . ASP 27 27 26873 1 . MET 28 28 26873 1 . TYR 29 29 26873 1 . ILE 30 30 26873 1 . GLU 31 31 26873 1 . ARG 32 32 26873 1 . ALA 33 33 26873 1 . GLY 34 34 26873 1 . ASP 35 35 26873 1 . ILE 36 36 26873 1 . THR 37 37 26873 1 . TRP 38 38 26873 1 . GLU 39 39 26873 1 . LYS 40 40 26873 1 . ASP 41 41 26873 1 . ALA 42 42 26873 1 . GLU 43 43 26873 1 . VAL 44 44 26873 1 . THR 45 45 26873 1 . GLY 46 46 26873 1 . ASN 47 47 26873 1 . SER 48 48 26873 1 . PRO 49 49 26873 1 . ARG 50 50 26873 1 . LEU 51 51 26873 1 . ASP 52 52 26873 1 . VAL 53 53 26873 1 . ALA 54 54 26873 1 . LEU 55 55 26873 1 . ASP 56 56 26873 1 . GLU 57 57 26873 1 . SER 58 58 26873 1 . GLY 59 59 26873 1 . ASP 60 60 26873 1 . PHE 61 61 26873 1 . SER 62 62 26873 1 . LEU 63 63 26873 1 . VAL 64 64 26873 1 . GLU 65 65 26873 1 . GLU 66 66 26873 1 . ASP 67 67 26873 1 . GLY 68 68 26873 1 . PRO 69 69 26873 1 . PRO 70 70 26873 1 . MET 71 71 26873 1 . ARG 72 72 26873 1 . GLU 73 73 26873 1 . LYS 74 74 26873 1 . THR 75 75 26873 1 . GLY 76 76 26873 1 . LYS 77 77 26873 1 . ARG 78 78 26873 1 stop_ save_ save_NS3_fragment _Entity.Sf_category entity _Entity.Sf_framecode NS3_fragment _Entity.Entry_ID 26873 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'NS3 fragment (1-177)' _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 . 26873 2 2 2 GLY . 26873 2 3 3 ALA . 26873 2 4 4 LEU . 26873 2 5 5 TRP . 26873 2 6 6 ASP . 26873 2 7 7 VAL . 26873 2 8 8 PRO . 26873 2 9 9 ALA . 26873 2 10 10 PRO . 26873 2 11 11 LYS . 26873 2 12 12 GLU . 26873 2 13 13 VAL . 26873 2 14 14 LYS . 26873 2 15 15 LYS . 26873 2 16 16 GLY . 26873 2 17 17 GLU . 26873 2 18 18 THR . 26873 2 19 19 THR . 26873 2 20 20 ASP . 26873 2 21 21 GLY . 26873 2 22 22 VAL . 26873 2 23 23 TYR . 26873 2 24 24 ARG . 26873 2 25 25 VAL . 26873 2 26 26 MET . 26873 2 27 27 THR . 26873 2 28 28 ARG . 26873 2 29 29 ARG . 26873 2 30 30 LEU . 26873 2 31 31 LEU . 26873 2 32 32 GLY . 26873 2 33 33 SER . 26873 2 34 34 THR . 26873 2 35 35 GLN . 26873 2 36 36 VAL . 26873 2 37 37 GLY . 26873 2 38 38 VAL . 26873 2 39 39 GLY . 26873 2 40 40 VAL . 26873 2 41 41 MET . 26873 2 42 42 GLN . 26873 2 43 43 GLU . 26873 2 44 44 GLY . 26873 2 45 45 VAL . 26873 2 46 46 PHE . 26873 2 47 47 HIS . 26873 2 48 48 THR . 26873 2 49 49 MET . 26873 2 50 50 TRP . 26873 2 51 51 HIS . 26873 2 52 52 VAL . 26873 2 53 53 THR . 26873 2 54 54 LYS . 26873 2 55 55 GLY . 26873 2 56 56 ALA . 26873 2 57 57 ALA . 26873 2 58 58 LEU . 26873 2 59 59 ARG . 26873 2 60 60 SER . 26873 2 61 61 GLY . 26873 2 62 62 GLU . 26873 2 63 63 GLY . 26873 2 64 64 ARG . 26873 2 65 65 LEU . 26873 2 66 66 ASP . 26873 2 67 67 PRO . 26873 2 68 68 TYR . 26873 2 69 69 TRP . 26873 2 70 70 GLY . 26873 2 71 71 ASP . 26873 2 72 72 VAL . 26873 2 73 73 LYS . 26873 2 74 74 GLN . 26873 2 75 75 ASP . 26873 2 76 76 LEU . 26873 2 77 77 VAL . 26873 2 78 78 SER . 26873 2 79 79 TYR . 26873 2 80 80 CYS . 26873 2 81 81 GLY . 26873 2 82 82 PRO . 26873 2 83 83 TRP . 26873 2 84 84 LYS . 26873 2 85 85 LEU . 26873 2 86 86 ASP . 26873 2 87 87 ALA . 26873 2 88 88 ALA . 26873 2 89 89 TRP . 26873 2 90 90 ASP . 26873 2 91 91 GLY . 26873 2 92 92 LEU . 26873 2 93 93 SER . 26873 2 94 94 GLU . 26873 2 95 95 VAL . 26873 2 96 96 GLN . 26873 2 97 97 LEU . 26873 2 98 98 LEU . 26873 2 99 99 ALA . 26873 2 100 100 VAL . 26873 2 101 101 PRO . 26873 2 102 102 PRO . 26873 2 103 103 GLY . 26873 2 104 104 GLU . 26873 2 105 105 ARG . 26873 2 106 106 ALA . 26873 2 107 107 LYS . 26873 2 108 108 ASN . 26873 2 109 109 ILE . 26873 2 110 110 GLN . 26873 2 111 111 THR . 26873 2 112 112 LEU . 26873 2 113 113 PRO . 26873 2 114 114 GLY . 26873 2 115 115 ILE . 26873 2 116 116 PHE . 26873 2 117 117 LYS . 26873 2 118 118 THR . 26873 2 119 119 LYS . 26873 2 120 120 ASP . 26873 2 121 121 GLY . 26873 2 122 122 ASP . 26873 2 123 123 ILE . 26873 2 124 124 GLY . 26873 2 125 125 ALA . 26873 2 126 126 VAL . 26873 2 127 127 ALA . 26873 2 128 128 LEU . 26873 2 129 129 ASP . 26873 2 130 130 TYR . 26873 2 131 131 PRO . 26873 2 132 132 ALA . 26873 2 133 133 GLY . 26873 2 134 134 THR . 26873 2 135 135 SER . 26873 2 136 136 GLY . 26873 2 137 137 SER . 26873 2 138 138 PRO . 26873 2 139 139 ILE . 26873 2 140 140 LEU . 26873 2 141 141 ASP . 26873 2 142 142 LYS . 26873 2 143 143 CYS . 26873 2 144 144 GLY . 26873 2 145 145 ARG . 26873 2 146 146 VAL . 26873 2 147 147 ILE . 26873 2 148 148 GLY . 26873 2 149 149 LEU . 26873 2 150 150 TYR . 26873 2 151 151 GLY . 26873 2 152 152 ASN . 26873 2 153 153 GLY . 26873 2 154 154 VAL . 26873 2 155 155 VAL . 26873 2 156 156 ILE . 26873 2 157 157 LYS . 26873 2 158 158 ASN . 26873 2 159 159 GLY . 26873 2 160 160 SER . 26873 2 161 161 TYR . 26873 2 162 162 VAL . 26873 2 163 163 SER . 26873 2 164 164 ALA . 26873 2 165 165 ILE . 26873 2 166 166 THR . 26873 2 167 167 GLN . 26873 2 168 168 GLY . 26873 2 169 169 LYS . 26873 2 170 170 ARG . 26873 2 171 171 GLU . 26873 2 172 172 GLU . 26873 2 173 173 GLU . 26873 2 174 174 THR . 26873 2 175 175 PRO . 26873 2 176 176 VAL . 26873 2 177 177 GLU . 26873 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 26873 2 . GLY 2 2 26873 2 . ALA 3 3 26873 2 . LEU 4 4 26873 2 . TRP 5 5 26873 2 . ASP 6 6 26873 2 . VAL 7 7 26873 2 . PRO 8 8 26873 2 . ALA 9 9 26873 2 . PRO 10 10 26873 2 . LYS 11 11 26873 2 . GLU 12 12 26873 2 . VAL 13 13 26873 2 . LYS 14 14 26873 2 . LYS 15 15 26873 2 . GLY 16 16 26873 2 . GLU 17 17 26873 2 . THR 18 18 26873 2 . THR 19 19 26873 2 . ASP 20 20 26873 2 . GLY 21 21 26873 2 . VAL 22 22 26873 2 . TYR 23 23 26873 2 . ARG 24 24 26873 2 . VAL 25 25 26873 2 . MET 26 26 26873 2 . THR 27 27 26873 2 . ARG 28 28 26873 2 . ARG 29 29 26873 2 . LEU 30 30 26873 2 . LEU 31 31 26873 2 . GLY 32 32 26873 2 . SER 33 33 26873 2 . THR 34 34 26873 2 . GLN 35 35 26873 2 . VAL 36 36 26873 2 . GLY 37 37 26873 2 . VAL 38 38 26873 2 . GLY 39 39 26873 2 . VAL 40 40 26873 2 . MET 41 41 26873 2 . GLN 42 42 26873 2 . GLU 43 43 26873 2 . GLY 44 44 26873 2 . VAL 45 45 26873 2 . PHE 46 46 26873 2 . HIS 47 47 26873 2 . THR 48 48 26873 2 . MET 49 49 26873 2 . TRP 50 50 26873 2 . HIS 51 51 26873 2 . VAL 52 52 26873 2 . THR 53 53 26873 2 . LYS 54 54 26873 2 . GLY 55 55 26873 2 . ALA 56 56 26873 2 . ALA 57 57 26873 2 . LEU 58 58 26873 2 . ARG 59 59 26873 2 . SER 60 60 26873 2 . GLY 61 61 26873 2 . GLU 62 62 26873 2 . GLY 63 63 26873 2 . ARG 64 64 26873 2 . LEU 65 65 26873 2 . ASP 66 66 26873 2 . PRO 67 67 26873 2 . TYR 68 68 26873 2 . TRP 69 69 26873 2 . GLY 70 70 26873 2 . ASP 71 71 26873 2 . VAL 72 72 26873 2 . LYS 73 73 26873 2 . GLN 74 74 26873 2 . ASP 75 75 26873 2 . LEU 76 76 26873 2 . VAL 77 77 26873 2 . SER 78 78 26873 2 . TYR 79 79 26873 2 . CYS 80 80 26873 2 . GLY 81 81 26873 2 . PRO 82 82 26873 2 . TRP 83 83 26873 2 . LYS 84 84 26873 2 . LEU 85 85 26873 2 . ASP 86 86 26873 2 . ALA 87 87 26873 2 . ALA 88 88 26873 2 . TRP 89 89 26873 2 . ASP 90 90 26873 2 . GLY 91 91 26873 2 . LEU 92 92 26873 2 . SER 93 93 26873 2 . GLU 94 94 26873 2 . VAL 95 95 26873 2 . GLN 96 96 26873 2 . LEU 97 97 26873 2 . LEU 98 98 26873 2 . ALA 99 99 26873 2 . VAL 100 100 26873 2 . PRO 101 101 26873 2 . PRO 102 102 26873 2 . GLY 103 103 26873 2 . GLU 104 104 26873 2 . ARG 105 105 26873 2 . ALA 106 106 26873 2 . LYS 107 107 26873 2 . ASN 108 108 26873 2 . ILE 109 109 26873 2 . GLN 110 110 26873 2 . THR 111 111 26873 2 . LEU 112 112 26873 2 . PRO 113 113 26873 2 . GLY 114 114 26873 2 . ILE 115 115 26873 2 . PHE 116 116 26873 2 . LYS 117 117 26873 2 . THR 118 118 26873 2 . LYS 119 119 26873 2 . ASP 120 120 26873 2 . GLY 121 121 26873 2 . ASP 122 122 26873 2 . ILE 123 123 26873 2 . GLY 124 124 26873 2 . ALA 125 125 26873 2 . VAL 126 126 26873 2 . ALA 127 127 26873 2 . LEU 128 128 26873 2 . ASP 129 129 26873 2 . TYR 130 130 26873 2 . PRO 131 131 26873 2 . ALA 132 132 26873 2 . GLY 133 133 26873 2 . THR 134 134 26873 2 . SER 135 135 26873 2 . GLY 136 136 26873 2 . SER 137 137 26873 2 . PRO 138 138 26873 2 . ILE 139 139 26873 2 . LEU 140 140 26873 2 . ASP 141 141 26873 2 . LYS 142 142 26873 2 . CYS 143 143 26873 2 . GLY 144 144 26873 2 . ARG 145 145 26873 2 . VAL 146 146 26873 2 . ILE 147 147 26873 2 . GLY 148 148 26873 2 . LEU 149 149 26873 2 . TYR 150 150 26873 2 . GLY 151 151 26873 2 . ASN 152 152 26873 2 . GLY 153 153 26873 2 . VAL 154 154 26873 2 . VAL 155 155 26873 2 . ILE 156 156 26873 2 . LYS 157 157 26873 2 . ASN 158 158 26873 2 . GLY 159 159 26873 2 . SER 160 160 26873 2 . TYR 161 161 26873 2 . VAL 162 162 26873 2 . SER 163 163 26873 2 . ALA 164 164 26873 2 . ILE 165 165 26873 2 . THR 166 166 26873 2 . GLN 167 167 26873 2 . GLY 168 168 26873 2 . LYS 169 169 26873 2 . ARG 170 170 26873 2 . GLU 171 171 26873 2 . GLU 172 172 26873 2 . GLU 173 173 26873 2 . THR 174 174 26873 2 . PRO 175 175 26873 2 . VAL 176 176 26873 2 . GLU 177 177 26873 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26873 _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 . . . . . . . . . . . . . 26873 1 2 2 $NS3_fragment . 64320 virus . 'Zika virus' 'Zika virus' . . Viruses . Zika virus . . . . . . . . . . . . . 26873 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 26873 _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 . . . 26873 1 2 2 $NS3_fragment . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 26873 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26873 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM HEPES, pH7.3, 150 mM NaCl, 1 mM DTT.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NS2B fragment (45-96)' '[U-13C; U-15N; U-2H]' . . 1 $NS2B_fragment . . 0.8 . . mM . . . . 26873 1 2 'NS3 fragment (1-177)' '[U-13C; U-15N; U-2H]' . . 2 $NS3_fragment . . 0.8 . . mM . . . . 26873 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 26873 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26873 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26873 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 26873 _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 26873 1 pH 7.3 . pH 26873 1 pressure 1 . atm 26873 1 temperature 310 . K 26873 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26873 _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' . . 26873 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26873 1 'Johnson, One Moon Scientific' . . 26873 1 'Keller and Wuthrich' . . 26873 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26873 1 processing 26873 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 26873 _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 26873 _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 . . . 26873 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 26873 _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 . . . . . . . . . . . . . . . . 26873 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26873 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 26873 _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 . . . . . 26873 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26873 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 26873 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 26873 _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' . . . 26873 1 2 '3D HNCACB' . . . 26873 1 4 '3D HNCA' . . . 26873 1 6 '3D HNCO' . . . 26873 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 SER C C 13 174.058 0.300 . 1 . . . . 48 SER C . 26873 1 2 . 1 1 25 25 SER CA C 13 57.972 0.300 . 1 . . . . 48 SER CA . 26873 1 3 . 1 1 25 25 SER CB C 13 63.287 0.300 . 1 . . . . 48 SER CB . 26873 1 4 . 1 1 26 26 VAL H H 1 8.142 0.020 . 1 . . . . 49 VAL H . 26873 1 5 . 1 1 26 26 VAL C C 13 175.122 0.300 . 1 . . . . 49 VAL C . 26873 1 6 . 1 1 26 26 VAL CA C 13 61.378 0.300 . 1 . . . . 49 VAL CA . 26873 1 7 . 1 1 26 26 VAL CB C 13 32.422 0.300 . 1 . . . . 49 VAL CB . 26873 1 8 . 1 1 26 26 VAL N N 15 121.891 0.300 . 1 . . . . 49 VAL N . 26873 1 9 . 1 1 27 27 ASP H H 1 8.499 0.020 . 1 . . . . 50 ASP H . 26873 1 10 . 1 1 27 27 ASP C C 13 175.072 0.300 . 1 . . . . 50 ASP C . 26873 1 11 . 1 1 27 27 ASP CA C 13 53.897 0.300 . 1 . . . . 50 ASP CA . 26873 1 12 . 1 1 27 27 ASP CB C 13 41.204 0.300 . 1 . . . . 50 ASP CB . 26873 1 13 . 1 1 27 27 ASP N N 15 125.472 0.300 . 1 . . . . 50 ASP N . 26873 1 14 . 1 1 28 28 MET H H 1 8.216 0.020 . 1 . . . . 51 MET H . 26873 1 15 . 1 1 28 28 MET C C 13 175.152 0.300 . 1 . . . . 51 MET C . 26873 1 16 . 1 1 28 28 MET CA C 13 54.204 0.300 . 1 . . . . 51 MET CA . 26873 1 17 . 1 1 28 28 MET CB C 13 35.457 0.300 . 1 . . . . 51 MET CB . 26873 1 18 . 1 1 28 28 MET N N 15 122.117 0.300 . 1 . . . . 51 MET N . 26873 1 19 . 1 1 29 29 TYR H H 1 9.034 0.020 . 1 . . . . 52 TYR H . 26873 1 20 . 1 1 29 29 TYR C C 13 172.689 0.300 . 1 . . . . 52 TYR C . 26873 1 21 . 1 1 29 29 TYR CA C 13 54.659 0.300 . 1 . . . . 52 TYR CA . 26873 1 22 . 1 1 29 29 TYR CB C 13 40.697 0.300 . 1 . . . . 52 TYR CB . 26873 1 23 . 1 1 29 29 TYR N N 15 120.152 0.300 . 1 . . . . 52 TYR N . 26873 1 24 . 1 1 30 30 ILE H H 1 7.979 0.020 . 1 . . . . 53 ILE H . 26873 1 25 . 1 1 30 30 ILE C C 13 175.832 0.300 . 1 . . . . 53 ILE C . 26873 1 26 . 1 1 30 30 ILE CA C 13 57.713 0.300 . 1 . . . . 53 ILE CA . 26873 1 27 . 1 1 30 30 ILE CB C 13 40.008 0.300 . 1 . . . . 53 ILE CB . 26873 1 28 . 1 1 30 30 ILE N N 15 109.774 0.300 . 1 . . . . 53 ILE N . 26873 1 29 . 1 1 31 31 GLU H H 1 8.595 0.020 . 1 . . . . 54 GLU H . 26873 1 30 . 1 1 31 31 GLU C C 13 174.959 0.300 . 1 . . . . 54 GLU C . 26873 1 31 . 1 1 31 31 GLU CA C 13 54.352 0.300 . 1 . . . . 54 GLU CA . 26873 1 32 . 1 1 31 31 GLU CB C 13 33.551 0.300 . 1 . . . . 54 GLU CB . 26873 1 33 . 1 1 31 31 GLU N N 15 121.228 0.300 . 1 . . . . 54 GLU N . 26873 1 34 . 1 1 32 32 ARG H H 1 9.254 0.020 . 1 . . . . 55 ARG H . 26873 1 35 . 1 1 32 32 ARG C C 13 175.696 0.300 . 1 . . . . 55 ARG C . 26873 1 36 . 1 1 32 32 ARG CA C 13 58.711 0.300 . 1 . . . . 55 ARG CA . 26873 1 37 . 1 1 32 32 ARG CB C 13 28.600 0.300 . 1 . . . . 55 ARG CB . 26873 1 38 . 1 1 32 32 ARG N N 15 129.965 0.300 . 1 . . . . 55 ARG N . 26873 1 39 . 1 1 33 33 ALA H H 1 9.583 0.020 . 1 . . . . 56 ALA H . 26873 1 40 . 1 1 33 33 ALA C C 13 176.784 0.300 . 1 . . . . 56 ALA C . 26873 1 41 . 1 1 33 33 ALA CA C 13 51.062 0.300 . 1 . . . . 56 ALA CA . 26873 1 42 . 1 1 33 33 ALA CB C 13 19.964 0.300 . 1 . . . . 56 ALA CB . 26873 1 43 . 1 1 33 33 ALA N N 15 128.193 0.300 . 1 . . . . 56 ALA N . 26873 1 44 . 1 1 34 34 GLY H H 1 7.155 0.020 . 1 . . . . 57 GLY H . 26873 1 45 . 1 1 34 34 GLY C C 13 171.199 0.300 . 1 . . . . 57 GLY C . 26873 1 46 . 1 1 34 34 GLY CA C 13 44.795 0.300 . 1 . . . . 57 GLY CA . 26873 1 47 . 1 1 34 34 GLY N N 15 103.340 0.300 . 1 . . . . 57 GLY N . 26873 1 48 . 1 1 35 35 ASP H H 1 8.234 0.020 . 1 . . . . 58 ASP H . 26873 1 49 . 1 1 35 35 ASP C C 13 175.436 0.300 . 1 . . . . 58 ASP C . 26873 1 50 . 1 1 35 35 ASP CA C 13 53.049 0.300 . 1 . . . . 58 ASP CA . 26873 1 51 . 1 1 35 35 ASP CB C 13 41.920 0.300 . 1 . . . . 58 ASP CB . 26873 1 52 . 1 1 35 35 ASP N N 15 118.357 0.300 . 1 . . . . 58 ASP N . 26873 1 53 . 1 1 36 36 ILE H H 1 8.714 0.020 . 1 . . . . 59 ILE H . 26873 1 54 . 1 1 36 36 ILE C C 13 174.922 0.300 . 1 . . . . 59 ILE C . 26873 1 55 . 1 1 36 36 ILE CA C 13 61.310 0.300 . 1 . . . . 59 ILE CA . 26873 1 56 . 1 1 36 36 ILE CB C 13 36.412 0.300 . 1 . . . . 59 ILE CB . 26873 1 57 . 1 1 36 36 ILE N N 15 119.495 0.300 . 1 . . . . 59 ILE N . 26873 1 58 . 1 1 37 37 THR H H 1 6.898 0.020 . 1 . . . . 60 THR H . 26873 1 59 . 1 1 37 37 THR C C 13 171.586 0.300 . 1 . . . . 60 THR C . 26873 1 60 . 1 1 37 37 THR CA C 13 59.141 0.300 . 1 . . . . 60 THR CA . 26873 1 61 . 1 1 37 37 THR CB C 13 71.014 0.300 . 1 . . . . 60 THR CB . 26873 1 62 . 1 1 37 37 THR N N 15 118.477 0.300 . 1 . . . . 60 THR N . 26873 1 63 . 1 1 38 38 TRP H H 1 8.505 0.020 . 1 . . . . 61 TRP H . 26873 1 64 . 1 1 38 38 TRP C C 13 175.629 0.300 . 1 . . . . 61 TRP C . 26873 1 65 . 1 1 38 38 TRP CA C 13 56.443 0.300 . 1 . . . . 61 TRP CA . 26873 1 66 . 1 1 38 38 TRP CB C 13 28.686 0.300 . 1 . . . . 61 TRP CB . 26873 1 67 . 1 1 38 38 TRP N N 15 123.656 0.300 . 1 . . . . 61 TRP N . 26873 1 68 . 1 1 39 39 GLU H H 1 8.498 0.020 . 1 . . . . 62 GLU H . 26873 1 69 . 1 1 39 39 GLU C C 13 176.330 0.300 . 1 . . . . 62 GLU C . 26873 1 70 . 1 1 39 39 GLU CA C 13 53.995 0.300 . 1 . . . . 62 GLU CA . 26873 1 71 . 1 1 39 39 GLU CB C 13 30.406 0.300 . 1 . . . . 62 GLU CB . 26873 1 72 . 1 1 39 39 GLU N N 15 130.670 0.300 . 1 . . . . 62 GLU N . 26873 1 73 . 1 1 40 40 LYS H H 1 8.807 0.020 . 1 . . . . 63 LYS H . 26873 1 74 . 1 1 40 40 LYS C C 13 176.646 0.300 . 1 . . . . 63 LYS C . 26873 1 75 . 1 1 40 40 LYS CA C 13 58.134 0.300 . 1 . . . . 63 LYS CA . 26873 1 76 . 1 1 40 40 LYS CB C 13 31.241 0.300 . 1 . . . . 63 LYS CB . 26873 1 77 . 1 1 40 40 LYS N N 15 127.560 0.300 . 1 . . . . 63 LYS N . 26873 1 78 . 1 1 41 41 ASP H H 1 8.609 0.020 . 1 . . . . 64 ASP H . 26873 1 79 . 1 1 41 41 ASP C C 13 174.921 0.300 . 1 . . . . 64 ASP C . 26873 1 80 . 1 1 41 41 ASP CA C 13 53.614 0.300 . 1 . . . . 64 ASP CA . 26873 1 81 . 1 1 41 41 ASP CB C 13 39.103 0.300 . 1 . . . . 64 ASP CB . 26873 1 82 . 1 1 41 41 ASP N N 15 118.544 0.300 . 1 . . . . 64 ASP N . 26873 1 83 . 1 1 42 42 ALA H H 1 6.990 0.020 . 1 . . . . 65 ALA H . 26873 1 84 . 1 1 42 42 ALA C C 13 177.075 0.300 . 1 . . . . 65 ALA C . 26873 1 85 . 1 1 42 42 ALA CA C 13 51.762 0.300 . 1 . . . . 65 ALA CA . 26873 1 86 . 1 1 42 42 ALA CB C 13 19.051 0.300 . 1 . . . . 65 ALA CB . 26873 1 87 . 1 1 42 42 ALA N N 15 121.482 0.300 . 1 . . . . 65 ALA N . 26873 1 88 . 1 1 43 43 GLU H H 1 8.197 0.020 . 1 . . . . 66 GLU H . 26873 1 89 . 1 1 43 43 GLU C C 13 174.142 0.300 . 1 . . . . 66 GLU C . 26873 1 90 . 1 1 43 43 GLU CA C 13 56.173 0.300 . 1 . . . . 66 GLU CA . 26873 1 91 . 1 1 43 43 GLU CB C 13 29.720 0.300 . 1 . . . . 66 GLU CB . 26873 1 92 . 1 1 43 43 GLU N N 15 121.374 0.300 . 1 . . . . 66 GLU N . 26873 1 93 . 1 1 44 44 VAL H H 1 8.123 0.020 . 1 . . . . 67 VAL H . 26873 1 94 . 1 1 44 44 VAL C C 13 176.881 0.300 . 1 . . . . 67 VAL C . 26873 1 95 . 1 1 44 44 VAL CA C 13 60.292 0.300 . 1 . . . . 67 VAL CA . 26873 1 96 . 1 1 44 44 VAL CB C 13 32.334 0.300 . 1 . . . . 67 VAL CB . 26873 1 97 . 1 1 44 44 VAL N N 15 123.528 0.300 . 1 . . . . 67 VAL N . 26873 1 98 . 1 1 45 45 THR H H 1 8.785 0.020 . 1 . . . . 68 THR H . 26873 1 99 . 1 1 45 45 THR C C 13 173.360 0.300 . 1 . . . . 68 THR C . 26873 1 100 . 1 1 45 45 THR CA C 13 60.408 0.300 . 1 . . . . 68 THR CA . 26873 1 101 . 1 1 45 45 THR CB C 13 69.507 0.300 . 1 . . . . 68 THR CB . 26873 1 102 . 1 1 45 45 THR N N 15 121.589 0.300 . 1 . . . . 68 THR N . 26873 1 103 . 1 1 46 46 GLY H H 1 8.133 0.020 . 1 . . . . 69 GLY H . 26873 1 104 . 1 1 46 46 GLY C C 13 173.360 0.300 . 1 . . . . 69 GLY C . 26873 1 105 . 1 1 46 46 GLY CA C 13 43.920 0.300 . 1 . . . . 69 GLY CA . 26873 1 106 . 1 1 46 46 GLY N N 15 110.148 0.300 . 1 . . . . 69 GLY N . 26873 1 107 . 1 1 47 47 ASN H H 1 7.813 0.020 . 1 . . . . 70 ASN H . 26873 1 108 . 1 1 47 47 ASN C C 13 172.966 0.300 . 1 . . . . 70 ASN C . 26873 1 109 . 1 1 47 47 ASN CA C 13 51.923 0.300 . 1 . . . . 70 ASN CA . 26873 1 110 . 1 1 47 47 ASN CB C 13 38.722 0.300 . 1 . . . . 70 ASN CB . 26873 1 111 . 1 1 47 47 ASN N N 15 119.011 0.300 . 1 . . . . 70 ASN N . 26873 1 112 . 1 1 48 48 SER H H 1 8.164 0.020 . 1 . . . . 71 SER H . 26873 1 113 . 1 1 48 48 SER CA C 13 54.464 0.300 . 1 . . . . 71 SER CA . 26873 1 114 . 1 1 48 48 SER CB C 13 62.547 0.300 . 1 . . . . 71 SER CB . 26873 1 115 . 1 1 48 48 SER N N 15 113.215 0.300 . 1 . . . . 71 SER N . 26873 1 116 . 1 1 49 49 PRO C C 13 175.211 0.300 . 1 . . . . 72 PRO C . 26873 1 117 . 1 1 49 49 PRO CA C 13 62.225 0.300 . 1 . . . . 72 PRO CA . 26873 1 118 . 1 1 49 49 PRO CB C 13 31.598 0.300 . 1 . . . . 72 PRO CB . 26873 1 119 . 1 1 50 50 ARG H H 1 8.306 0.020 . 1 . . . . 73 ARG H . 26873 1 120 . 1 1 50 50 ARG C C 13 175.405 0.300 . 1 . . . . 73 ARG C . 26873 1 121 . 1 1 50 50 ARG CA C 13 55.218 0.300 . 1 . . . . 73 ARG CA . 26873 1 122 . 1 1 50 50 ARG CB C 13 29.835 0.300 . 1 . . . . 73 ARG CB . 26873 1 123 . 1 1 50 50 ARG N N 15 119.972 0.300 . 1 . . . . 73 ARG N . 26873 1 124 . 1 1 51 51 LEU H H 1 8.462 0.020 . 1 . . . . 74 LEU H . 26873 1 125 . 1 1 51 51 LEU C C 13 174.858 0.300 . 1 . . . . 74 LEU C . 26873 1 126 . 1 1 51 51 LEU CA C 13 53.018 0.300 . 1 . . . . 74 LEU CA . 26873 1 127 . 1 1 51 51 LEU CB C 13 45.158 0.300 . 1 . . . . 74 LEU CB . 26873 1 128 . 1 1 51 51 LEU N N 15 124.381 0.300 . 1 . . . . 74 LEU N . 26873 1 129 . 1 1 52 52 ASP H H 1 8.573 0.020 . 1 . . . . 75 ASP H . 26873 1 130 . 1 1 52 52 ASP C C 13 175.911 0.300 . 1 . . . . 75 ASP C . 26873 1 131 . 1 1 52 52 ASP CA C 13 54.079 0.300 . 1 . . . . 75 ASP CA . 26873 1 132 . 1 1 52 52 ASP CB C 13 40.716 0.300 . 1 . . . . 75 ASP CB . 26873 1 133 . 1 1 52 52 ASP N N 15 123.658 0.300 . 1 . . . . 75 ASP N . 26873 1 134 . 1 1 53 53 VAL H H 1 7.797 0.020 . 1 . . . . 76 VAL H . 26873 1 135 . 1 1 53 53 VAL C C 13 175.539 0.300 . 1 . . . . 76 VAL C . 26873 1 136 . 1 1 53 53 VAL CA C 13 61.452 0.300 . 1 . . . . 76 VAL CA . 26873 1 137 . 1 1 53 53 VAL CB C 13 32.387 0.300 . 1 . . . . 76 VAL CB . 26873 1 138 . 1 1 53 53 VAL N N 15 118.985 0.300 . 1 . . . . 76 VAL N . 26873 1 139 . 1 1 54 54 ALA H H 1 8.279 0.020 . 1 . . . . 77 ALA H . 26873 1 140 . 1 1 54 54 ALA C C 13 177.508 0.300 . 1 . . . . 77 ALA C . 26873 1 141 . 1 1 54 54 ALA CA C 13 51.790 0.300 . 1 . . . . 77 ALA CA . 26873 1 142 . 1 1 54 54 ALA CB C 13 18.308 0.300 . 1 . . . . 77 ALA CB . 26873 1 143 . 1 1 54 54 ALA N N 15 127.012 0.300 . 1 . . . . 77 ALA N . 26873 1 144 . 1 1 55 55 LEU H H 1 8.125 0.020 . 1 . . . . 78 LEU H . 26873 1 145 . 1 1 55 55 LEU C C 13 177.097 0.300 . 1 . . . . 78 LEU C . 26873 1 146 . 1 1 55 55 LEU CA C 13 54.718 0.300 . 1 . . . . 78 LEU CA . 26873 1 147 . 1 1 55 55 LEU CB C 13 41.547 0.300 . 1 . . . . 78 LEU CB . 26873 1 148 . 1 1 55 55 LEU N N 15 121.532 0.300 . 1 . . . . 78 LEU N . 26873 1 149 . 1 1 56 56 ASP H H 1 8.243 0.020 . 1 . . . . 79 ASP H . 26873 1 150 . 1 1 56 56 ASP C C 13 176.411 0.300 . 1 . . . . 79 ASP C . 26873 1 151 . 1 1 56 56 ASP CA C 13 53.818 0.300 . 1 . . . . 79 ASP CA . 26873 1 152 . 1 1 56 56 ASP CB C 13 40.578 0.300 . 1 . . . . 79 ASP CB . 26873 1 153 . 1 1 56 56 ASP N N 15 120.673 0.300 . 1 . . . . 79 ASP N . 26873 1 154 . 1 1 57 57 GLU H H 1 8.349 0.020 . 1 . . . . 80 GLU H . 26873 1 155 . 1 1 57 57 GLU C C 13 176.750 0.300 . 1 . . . . 80 GLU C . 26873 1 156 . 1 1 57 57 GLU CA C 13 56.225 0.300 . 1 . . . . 80 GLU CA . 26873 1 157 . 1 1 57 57 GLU CB C 13 29.269 0.300 . 1 . . . . 80 GLU CB . 26873 1 158 . 1 1 57 57 GLU N N 15 121.461 0.300 . 1 . . . . 80 GLU N . 26873 1 159 . 1 1 58 58 SER H H 1 8.331 0.020 . 1 . . . . 81 SER H . 26873 1 160 . 1 1 58 58 SER C C 13 175.153 0.300 . 1 . . . . 81 SER C . 26873 1 161 . 1 1 58 58 SER CA C 13 58.601 0.300 . 1 . . . . 81 SER CA . 26873 1 162 . 1 1 58 58 SER CB C 13 63.577 0.300 . 1 . . . . 81 SER CB . 26873 1 163 . 1 1 58 58 SER N N 15 116.218 0.300 . 1 . . . . 81 SER N . 26873 1 164 . 1 1 59 59 GLY H H 1 8.233 0.020 . 1 . . . . 82 GLY H . 26873 1 165 . 1 1 59 59 GLY C C 13 173.669 0.300 . 1 . . . . 82 GLY C . 26873 1 166 . 1 1 59 59 GLY CA C 13 44.916 0.300 . 1 . . . . 82 GLY CA . 26873 1 167 . 1 1 59 59 GLY N N 15 110.238 0.300 . 1 . . . . 82 GLY N . 26873 1 168 . 1 1 60 60 ASP H H 1 8.068 0.020 . 1 . . . . 83 ASP H . 26873 1 169 . 1 1 60 60 ASP C C 13 175.991 0.300 . 1 . . . . 83 ASP C . 26873 1 170 . 1 1 60 60 ASP CA C 13 53.798 0.300 . 1 . . . . 83 ASP CA . 26873 1 171 . 1 1 60 60 ASP CB C 13 40.575 0.300 . 1 . . . . 83 ASP CB . 26873 1 172 . 1 1 60 60 ASP N N 15 120.181 0.300 . 1 . . . . 83 ASP N . 26873 1 173 . 1 1 61 61 PHE H H 1 8.135 0.020 . 1 . . . . 84 PHE H . 26873 1 174 . 1 1 61 61 PHE C C 13 175.740 0.300 . 1 . . . . 84 PHE C . 26873 1 175 . 1 1 61 61 PHE CA C 13 57.300 0.300 . 1 . . . . 84 PHE CA . 26873 1 176 . 1 1 61 61 PHE CB C 13 38.632 0.300 . 1 . . . . 84 PHE CB . 26873 1 177 . 1 1 61 61 PHE N N 15 120.691 0.300 . 1 . . . . 84 PHE N . 26873 1 178 . 1 1 62 62 SER H H 1 8.170 0.020 . 1 . . . . 85 SER H . 26873 1 179 . 1 1 62 62 SER C C 13 174.120 0.300 . 1 . . . . 85 SER C . 26873 1 180 . 1 1 62 62 SER CA C 13 58.098 0.300 . 1 . . . . 85 SER CA . 26873 1 181 . 1 1 62 62 SER CB C 13 63.420 0.300 . 1 . . . . 85 SER CB . 26873 1 182 . 1 1 62 62 SER N N 15 117.126 0.300 . 1 . . . . 85 SER N . 26873 1 183 . 1 1 63 63 LEU H H 1 8.116 0.020 . 1 . . . . 86 LEU H . 26873 1 184 . 1 1 63 63 LEU C C 13 177.066 0.300 . 1 . . . . 86 LEU C . 26873 1 185 . 1 1 63 63 LEU CA C 13 54.733 0.300 . 1 . . . . 86 LEU CA . 26873 1 186 . 1 1 63 63 LEU CB C 13 41.334 0.300 . 1 . . . . 86 LEU CB . 26873 1 187 . 1 1 63 63 LEU N N 15 123.856 0.300 . 1 . . . . 86 LEU N . 26873 1 188 . 1 1 64 64 VAL H H 1 7.986 0.020 . 1 . . . . 87 VAL H . 26873 1 189 . 1 1 64 64 VAL C C 13 175.990 0.300 . 1 . . . . 87 VAL C . 26873 1 190 . 1 1 64 64 VAL CA C 13 61.764 0.300 . 1 . . . . 87 VAL CA . 26873 1 191 . 1 1 64 64 VAL CB C 13 32.274 0.300 . 1 . . . . 87 VAL CB . 26873 1 192 . 1 1 64 64 VAL N N 15 120.719 0.300 . 1 . . . . 87 VAL N . 26873 1 193 . 1 1 65 65 GLU H H 1 8.397 0.020 . 1 . . . . 88 GLU H . 26873 1 194 . 1 1 65 65 GLU C C 13 176.367 0.300 . 1 . . . . 88 GLU C . 26873 1 195 . 1 1 65 65 GLU CA C 13 55.956 0.300 . 1 . . . . 88 GLU CA . 26873 1 196 . 1 1 65 65 GLU CB C 13 29.539 0.300 . 1 . . . . 88 GLU CB . 26873 1 197 . 1 1 65 65 GLU N N 15 124.694 0.300 . 1 . . . . 88 GLU N . 26873 1 198 . 1 1 66 66 GLU H H 1 8.386 0.020 . 1 . . . . 89 GLU H . 26873 1 199 . 1 1 66 66 GLU C C 13 176.096 0.300 . 1 . . . . 89 GLU C . 26873 1 200 . 1 1 66 66 GLU CA C 13 56.138 0.300 . 1 . . . . 89 GLU CA . 26873 1 201 . 1 1 66 66 GLU CB C 13 29.643 0.300 . 1 . . . . 89 GLU CB . 26873 1 202 . 1 1 66 66 GLU N N 15 122.073 0.300 . 1 . . . . 89 GLU N . 26873 1 203 . 1 1 67 67 ASP H H 1 8.364 0.020 . 1 . . . . 90 ASP H . 26873 1 204 . 1 1 67 67 ASP C C 13 176.205 0.300 . 1 . . . . 90 ASP C . 26873 1 205 . 1 1 67 67 ASP CA C 13 53.880 0.300 . 1 . . . . 90 ASP CA . 26873 1 206 . 1 1 67 67 ASP CB C 13 40.618 0.300 . 1 . . . . 90 ASP CB . 26873 1 207 . 1 1 67 67 ASP N N 15 121.143 0.300 . 1 . . . . 90 ASP N . 26873 1 208 . 1 1 68 68 GLY H H 1 8.005 0.020 . 1 . . . . 91 GLY H . 26873 1 209 . 1 1 68 68 GLY C C 13 171.151 0.300 . 1 . . . . 91 GLY C . 26873 1 210 . 1 1 68 68 GLY CA C 13 44.097 0.300 . 1 . . . . 91 GLY CA . 26873 1 211 . 1 1 68 68 GLY N N 15 108.649 0.300 . 1 . . . . 91 GLY N . 26873 1 212 . 1 1 74 74 LYS C C 13 176.810 0.300 . 1 . . . . 126 LYS C . 26873 1 213 . 1 1 74 74 LYS CA C 13 55.359 0.300 . 1 . . . . 126 LYS CA . 26873 1 214 . 1 1 75 75 THR H H 1 8.022 0.020 . 1 . . . . 127 THR H . 26873 1 215 . 1 1 75 75 THR C C 13 174.516 0.300 . 1 . . . . 127 THR C . 26873 1 216 . 1 1 75 75 THR CA C 13 61.162 0.300 . 1 . . . . 127 THR CA . 26873 1 217 . 1 1 75 75 THR N N 15 113.153 0.300 . 1 . . . . 127 THR N . 26873 1 218 . 1 1 76 76 GLY H H 1 8.557 0.020 . 1 . . . . 128 GLY H . 26873 1 219 . 1 1 76 76 GLY C C 13 173.098 0.300 . 1 . . . . 128 GLY C . 26873 1 220 . 1 1 76 76 GLY CA C 13 44.924 0.300 . 1 . . . . 128 GLY CA . 26873 1 221 . 1 1 76 76 GLY N N 15 110.208 0.300 . 1 . . . . 128 GLY N . 26873 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 26873 _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' . . . 26873 2 2 '3D HNCACB' . . . 26873 2 4 '3D HNCA' . . . 26873 2 6 '3D HNCO' . . . 26873 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 3 3 ALA H H 1 8.173 0.020 . 1 . . . . 3 ALA H . 26873 2 2 . 2 2 3 3 ALA C C 13 177.736 0.300 . 1 . . . . 3 ALA C . 26873 2 3 . 2 2 3 3 ALA CA C 13 51.758 0.300 . 1 . . . . 3 ALA CA . 26873 2 4 . 2 2 3 3 ALA CB C 13 18.802 0.300 . 1 . . . . 3 ALA CB . 26873 2 5 . 2 2 3 3 ALA N N 15 123.713 0.300 . 1 . . . . 3 ALA N . 26873 2 6 . 2 2 4 4 LEU H H 1 8.018 0.020 . 1 . . . . 4 LEU H . 26873 2 7 . 2 2 4 4 LEU C C 13 176.959 0.300 . 1 . . . . 4 LEU C . 26873 2 8 . 2 2 4 4 LEU CA C 13 54.972 0.300 . 1 . . . . 4 LEU CA . 26873 2 9 . 2 2 4 4 LEU CB C 13 41.131 0.300 . 1 . . . . 4 LEU CB . 26873 2 10 . 2 2 4 4 LEU N N 15 120.717 0.300 . 1 . . . . 4 LEU N . 26873 2 11 . 2 2 5 5 TRP H H 1 7.686 0.020 . 1 . . . . 5 TRP H . 26873 2 12 . 2 2 5 5 TRP C C 13 175.616 0.300 . 1 . . . . 5 TRP C . 26873 2 13 . 2 2 5 5 TRP CA C 13 56.262 0.300 . 1 . . . . 5 TRP CA . 26873 2 14 . 2 2 5 5 TRP CB C 13 28.913 0.300 . 1 . . . . 5 TRP CB . 26873 2 15 . 2 2 5 5 TRP N N 15 119.169 0.300 . 1 . . . . 5 TRP N . 26873 2 16 . 2 2 6 6 ASP H H 1 8.035 0.020 . 1 . . . . 6 ASP H . 26873 2 17 . 2 2 6 6 ASP C C 13 175.405 0.300 . 1 . . . . 6 ASP C . 26873 2 18 . 2 2 6 6 ASP CA C 13 53.675 0.300 . 1 . . . . 6 ASP CA . 26873 2 19 . 2 2 6 6 ASP CB C 13 40.500 0.300 . 1 . . . . 6 ASP CB . 26873 2 20 . 2 2 6 6 ASP N N 15 121.534 0.300 . 1 . . . . 6 ASP N . 26873 2 21 . 2 2 7 7 VAL H H 1 7.808 0.020 . 1 . . . . 7 VAL H . 26873 2 22 . 2 2 7 7 VAL CA C 13 59.256 0.300 . 1 . . . . 7 VAL CA . 26873 2 23 . 2 2 7 7 VAL CB C 13 32.146 0.300 . 1 . . . . 7 VAL CB . 26873 2 24 . 2 2 7 7 VAL N N 15 120.808 0.300 . 1 . . . . 7 VAL N . 26873 2 25 . 2 2 8 8 PRO C C 13 176.219 0.300 . 1 . . . . 8 PRO C . 26873 2 26 . 2 2 8 8 PRO CA C 13 62.528 0.300 . 1 . . . . 8 PRO CA . 26873 2 27 . 2 2 8 8 PRO CB C 13 30.906 0.300 . 1 . . . . 8 PRO CB . 26873 2 28 . 2 2 9 9 ALA H H 1 8.219 0.020 . 1 . . . . 9 ALA H . 26873 2 29 . 2 2 9 9 ALA C C 13 175.661 0.300 . 1 . . . . 9 ALA C . 26873 2 30 . 2 2 9 9 ALA CA C 13 49.868 0.300 . 1 . . . . 9 ALA CA . 26873 2 31 . 2 2 9 9 ALA CB C 13 17.299 0.300 . 1 . . . . 9 ALA CB . 26873 2 32 . 2 2 9 9 ALA N N 15 125.107 0.300 . 1 . . . . 9 ALA N . 26873 2 33 . 2 2 10 10 PRO CA C 13 62.741 0.300 . 1 . . . . 10 PRO CA . 26873 2 34 . 2 2 10 10 PRO CB C 13 31.043 0.300 . 1 . . . . 10 PRO CB . 26873 2 35 . 2 2 11 11 LYS H H 1 8.293 0.020 . 1 . . . . 11 LYS H . 26873 2 36 . 2 2 11 11 LYS C C 13 176.771 0.300 . 1 . . . . 11 LYS C . 26873 2 37 . 2 2 11 11 LYS CA C 13 55.600 0.300 . 1 . . . . 11 LYS CA . 26873 2 38 . 2 2 11 11 LYS CB C 13 31.811 0.300 . 1 . . . . 11 LYS CB . 26873 2 39 . 2 2 11 11 LYS N N 15 121.084 0.300 . 1 . . . . 11 LYS N . 26873 2 40 . 2 2 12 12 GLU C C 13 176.042 0.300 . 1 . . . . 12 GLU C . 26873 2 41 . 2 2 12 12 GLU CA C 13 55.904 0.300 . 1 . . . . 12 GLU CA . 26873 2 42 . 2 2 12 12 GLU CB C 13 29.342 0.300 . 1 . . . . 12 GLU CB . 26873 2 43 . 2 2 13 13 VAL H H 1 8.169 0.020 . 1 . . . . 13 VAL H . 26873 2 44 . 2 2 13 13 VAL CA C 13 61.797 0.300 . 1 . . . . 13 VAL CA . 26873 2 45 . 2 2 13 13 VAL CB C 13 32.245 0.300 . 1 . . . . 13 VAL CB . 26873 2 46 . 2 2 13 13 VAL N N 15 122.225 0.300 . 1 . . . . 13 VAL N . 26873 2 47 . 2 2 14 14 LYS H H 1 8.378 0.020 . 1 . . . . 14 LYS H . 26873 2 48 . 2 2 14 14 LYS C C 13 176.160 0.300 . 1 . . . . 14 LYS C . 26873 2 49 . 2 2 14 14 LYS CA C 13 55.355 0.300 . 1 . . . . 14 LYS CA . 26873 2 50 . 2 2 14 14 LYS CB C 13 32.111 0.300 . 1 . . . . 14 LYS CB . 26873 2 51 . 2 2 14 14 LYS N N 15 125.662 0.300 . 1 . . . . 14 LYS N . 26873 2 52 . 2 2 15 15 LYS H H 1 8.375 0.020 . 1 . . . . 15 LYS H . 26873 2 53 . 2 2 15 15 LYS C C 13 177.211 0.300 . 1 . . . . 15 LYS C . 26873 2 54 . 2 2 15 15 LYS CA C 13 56.070 0.300 . 1 . . . . 15 LYS CA . 26873 2 55 . 2 2 15 15 LYS CB C 13 32.092 0.300 . 1 . . . . 15 LYS CB . 26873 2 56 . 2 2 15 15 LYS N N 15 123.246 0.300 . 1 . . . . 15 LYS N . 26873 2 57 . 2 2 16 16 GLY H H 1 8.308 0.020 . 1 . . . . 16 GLY H . 26873 2 58 . 2 2 16 16 GLY C C 13 173.235 0.300 . 1 . . . . 16 GLY C . 26873 2 59 . 2 2 16 16 GLY CA C 13 44.482 0.300 . 1 . . . . 16 GLY CA . 26873 2 60 . 2 2 16 16 GLY N N 15 109.788 0.300 . 1 . . . . 16 GLY N . 26873 2 61 . 2 2 17 17 GLU H H 1 7.885 0.020 . 1 . . . . 17 GLU H . 26873 2 62 . 2 2 17 17 GLU C C 13 177.188 0.300 . 1 . . . . 17 GLU C . 26873 2 63 . 2 2 17 17 GLU CA C 13 56.254 0.300 . 1 . . . . 17 GLU CA . 26873 2 64 . 2 2 17 17 GLU CB C 13 29.419 0.300 . 1 . . . . 17 GLU CB . 26873 2 65 . 2 2 17 17 GLU N N 15 120.508 0.300 . 1 . . . . 17 GLU N . 26873 2 66 . 2 2 18 18 THR H H 1 8.353 0.020 . 1 . . . . 18 THR H . 26873 2 67 . 2 2 18 18 THR C C 13 174.309 0.300 . 1 . . . . 18 THR C . 26873 2 68 . 2 2 18 18 THR CA C 13 60.198 0.300 . 1 . . . . 18 THR CA . 26873 2 69 . 2 2 18 18 THR CB C 13 68.722 0.300 . 1 . . . . 18 THR CB . 26873 2 70 . 2 2 18 18 THR N N 15 113.847 0.300 . 1 . . . . 18 THR N . 26873 2 71 . 2 2 19 19 THR H H 1 7.740 0.020 . 1 . . . . 19 THR H . 26873 2 72 . 2 2 19 19 THR C C 13 175.876 0.300 . 1 . . . . 19 THR C . 26873 2 73 . 2 2 19 19 THR CA C 13 62.060 0.300 . 1 . . . . 19 THR CA . 26873 2 74 . 2 2 19 19 THR CB C 13 69.194 0.300 . 1 . . . . 19 THR CB . 26873 2 75 . 2 2 19 19 THR N N 15 115.918 0.300 . 1 . . . . 19 THR N . 26873 2 76 . 2 2 20 20 ASP H H 1 8.787 0.020 . 1 . . . . 20 ASP H . 26873 2 77 . 2 2 20 20 ASP C C 13 176.868 0.300 . 1 . . . . 20 ASP C . 26873 2 78 . 2 2 20 20 ASP CA C 13 55.096 0.300 . 1 . . . . 20 ASP CA . 26873 2 79 . 2 2 20 20 ASP CB C 13 40.087 0.300 . 1 . . . . 20 ASP CB . 26873 2 80 . 2 2 20 20 ASP N N 15 126.086 0.300 . 1 . . . . 20 ASP N . 26873 2 81 . 2 2 21 21 GLY H H 1 8.716 0.020 . 1 . . . . 21 GLY H . 26873 2 82 . 2 2 21 21 GLY C C 13 171.612 0.300 . 1 . . . . 21 GLY C . 26873 2 83 . 2 2 21 21 GLY CA C 13 44.831 0.300 . 1 . . . . 21 GLY CA . 26873 2 84 . 2 2 21 21 GLY N N 15 106.752 0.300 . 1 . . . . 21 GLY N . 26873 2 85 . 2 2 22 22 VAL H H 1 8.647 0.020 . 1 . . . . 22 VAL H . 26873 2 86 . 2 2 22 22 VAL C C 13 174.152 0.300 . 1 . . . . 22 VAL C . 26873 2 87 . 2 2 22 22 VAL CA C 13 59.112 0.300 . 1 . . . . 22 VAL CA . 26873 2 88 . 2 2 22 22 VAL CB C 13 33.701 0.300 . 1 . . . . 22 VAL CB . 26873 2 89 . 2 2 22 22 VAL N N 15 118.561 0.300 . 1 . . . . 22 VAL N . 26873 2 90 . 2 2 23 23 TYR H H 1 9.397 0.020 . 1 . . . . 23 TYR H . 26873 2 91 . 2 2 23 23 TYR C C 13 174.948 0.300 . 1 . . . . 23 TYR C . 26873 2 92 . 2 2 23 23 TYR CA C 13 56.358 0.300 . 1 . . . . 23 TYR CA . 26873 2 93 . 2 2 23 23 TYR CB C 13 41.589 0.300 . 1 . . . . 23 TYR CB . 26873 2 94 . 2 2 23 23 TYR N N 15 126.093 0.300 . 1 . . . . 23 TYR N . 26873 2 95 . 2 2 24 24 ARG H H 1 9.148 0.020 . 1 . . . . 24 ARG H . 26873 2 96 . 2 2 24 24 ARG C C 13 175.221 0.300 . 1 . . . . 24 ARG C . 26873 2 97 . 2 2 24 24 ARG CA C 13 55.742 0.300 . 1 . . . . 24 ARG CA . 26873 2 98 . 2 2 24 24 ARG CB C 13 31.801 0.300 . 1 . . . . 24 ARG CB . 26873 2 99 . 2 2 24 24 ARG N N 15 118.202 0.300 . 1 . . . . 24 ARG N . 26873 2 100 . 2 2 25 25 VAL H H 1 9.197 0.020 . 1 . . . . 25 VAL H . 26873 2 101 . 2 2 25 25 VAL C C 13 174.152 0.300 . 1 . . . . 25 VAL C . 26873 2 102 . 2 2 25 25 VAL CA C 13 61.824 0.300 . 1 . . . . 25 VAL CA . 26873 2 103 . 2 2 25 25 VAL CB C 13 30.234 0.300 . 1 . . . . 25 VAL CB . 26873 2 104 . 2 2 25 25 VAL N N 15 123.465 0.300 . 1 . . . . 25 VAL N . 26873 2 105 . 2 2 26 26 MET H H 1 8.977 0.020 . 1 . . . . 26 MET H . 26873 2 106 . 2 2 26 26 MET C C 13 175.634 0.300 . 1 . . . . 26 MET C . 26873 2 107 . 2 2 26 26 MET CA C 13 51.531 0.300 . 1 . . . . 26 MET CA . 26873 2 108 . 2 2 26 26 MET CB C 13 32.274 0.300 . 1 . . . . 26 MET CB . 26873 2 109 . 2 2 26 26 MET N N 15 125.426 0.300 . 1 . . . . 26 MET N . 26873 2 110 . 2 2 27 27 THR H H 1 8.867 0.020 . 1 . . . . 27 THR H . 26873 2 111 . 2 2 27 27 THR C C 13 173.515 0.300 . 1 . . . . 27 THR C . 26873 2 112 . 2 2 27 27 THR CA C 13 59.382 0.300 . 1 . . . . 27 THR CA . 26873 2 113 . 2 2 27 27 THR CB C 13 70.645 0.300 . 1 . . . . 27 THR CB . 26873 2 114 . 2 2 27 27 THR N N 15 111.767 0.300 . 1 . . . . 27 THR N . 26873 2 115 . 2 2 28 28 ARG H H 1 8.576 0.020 . 1 . . . . 28 ARG H . 26873 2 116 . 2 2 28 28 ARG C C 13 175.602 0.300 . 1 . . . . 28 ARG C . 26873 2 117 . 2 2 28 28 ARG CA C 13 56.036 0.300 . 1 . . . . 28 ARG CA . 26873 2 118 . 2 2 28 28 ARG CB C 13 30.378 0.300 . 1 . . . . 28 ARG CB . 26873 2 119 . 2 2 28 28 ARG N N 15 125.840 0.300 . 1 . . . . 28 ARG N . 26873 2 120 . 2 2 29 29 ARG H H 1 8.212 0.020 . 1 . . . . 29 ARG H . 26873 2 121 . 2 2 29 29 ARG C C 13 174.446 0.300 . 1 . . . . 29 ARG C . 26873 2 122 . 2 2 29 29 ARG CA C 13 54.311 0.300 . 1 . . . . 29 ARG CA . 26873 2 123 . 2 2 29 29 ARG CB C 13 30.846 0.300 . 1 . . . . 29 ARG CB . 26873 2 124 . 2 2 29 29 ARG N N 15 124.843 0.300 . 1 . . . . 29 ARG N . 26873 2 125 . 2 2 31 31 LEU H H 1 7.946 0.020 . 1 . . . . 31 LEU H . 26873 2 126 . 2 2 31 31 LEU C C 13 176.868 0.300 . 1 . . . . 31 LEU C . 26873 2 127 . 2 2 31 31 LEU CA C 13 54.513 0.300 . 1 . . . . 31 LEU CA . 26873 2 128 . 2 2 31 31 LEU CB C 13 40.729 0.300 . 1 . . . . 31 LEU CB . 26873 2 129 . 2 2 31 31 LEU N N 15 116.501 0.300 . 1 . . . . 31 LEU N . 26873 2 130 . 2 2 32 32 GLY H H 1 7.679 0.020 . 1 . . . . 32 GLY H . 26873 2 131 . 2 2 32 32 GLY C C 13 172.993 0.300 . 1 . . . . 32 GLY C . 26873 2 132 . 2 2 32 32 GLY CA C 13 44.546 0.300 . 1 . . . . 32 GLY CA . 26873 2 133 . 2 2 32 32 GLY N N 15 108.041 0.300 . 1 . . . . 32 GLY N . 26873 2 134 . 2 2 33 33 SER H H 1 8.510 0.020 . 1 . . . . 33 SER H . 26873 2 135 . 2 2 33 33 SER C C 13 173.783 0.300 . 1 . . . . 33 SER C . 26873 2 136 . 2 2 33 33 SER CA C 13 57.472 0.300 . 1 . . . . 33 SER CA . 26873 2 137 . 2 2 33 33 SER N N 15 116.689 0.300 . 1 . . . . 33 SER N . 26873 2 138 . 2 2 34 34 THR H H 1 8.713 0.020 . 1 . . . . 34 THR H . 26873 2 139 . 2 2 34 34 THR C C 13 172.381 0.300 . 1 . . . . 34 THR C . 26873 2 140 . 2 2 34 34 THR CA C 13 60.611 0.300 . 1 . . . . 34 THR CA . 26873 2 141 . 2 2 34 34 THR CB C 13 71.381 0.300 . 1 . . . . 34 THR CB . 26873 2 142 . 2 2 34 34 THR N N 15 117.408 0.300 . 1 . . . . 34 THR N . 26873 2 143 . 2 2 35 35 GLN H H 1 8.869 0.020 . 1 . . . . 35 GLN H . 26873 2 144 . 2 2 35 35 GLN C C 13 175.474 0.300 . 1 . . . . 35 GLN C . 26873 2 145 . 2 2 35 35 GLN CA C 13 55.950 0.300 . 1 . . . . 35 GLN CA . 26873 2 146 . 2 2 35 35 GLN CB C 13 28.968 0.300 . 1 . . . . 35 GLN CB . 26873 2 147 . 2 2 35 35 GLN N N 15 127.271 0.300 . 1 . . . . 35 GLN N . 26873 2 148 . 2 2 36 36 VAL H H 1 8.934 0.020 . 1 . . . . 36 VAL H . 26873 2 149 . 2 2 36 36 VAL C C 13 175.474 0.300 . 1 . . . . 36 VAL C . 26873 2 150 . 2 2 36 36 VAL CA C 13 60.855 0.300 . 1 . . . . 36 VAL CA . 26873 2 151 . 2 2 36 36 VAL CB C 13 31.891 0.300 . 1 . . . . 36 VAL CB . 26873 2 152 . 2 2 36 36 VAL N N 15 120.629 0.300 . 1 . . . . 36 VAL N . 26873 2 153 . 2 2 37 37 GLY H H 1 7.953 0.020 . 1 . . . . 37 GLY H . 26873 2 154 . 2 2 37 37 GLY C C 13 170.162 0.300 . 1 . . . . 37 GLY C . 26873 2 155 . 2 2 37 37 GLY CA C 13 45.987 0.300 . 1 . . . . 37 GLY CA . 26873 2 156 . 2 2 37 37 GLY N N 15 109.844 0.300 . 1 . . . . 37 GLY N . 26873 2 157 . 2 2 38 38 VAL H H 1 8.953 0.020 . 1 . . . . 38 VAL H . 26873 2 158 . 2 2 38 38 VAL C C 13 174.446 0.300 . 1 . . . . 38 VAL C . 26873 2 159 . 2 2 38 38 VAL CA C 13 59.997 0.300 . 1 . . . . 38 VAL CA . 26873 2 160 . 2 2 38 38 VAL CB C 13 36.556 0.300 . 1 . . . . 38 VAL CB . 26873 2 161 . 2 2 38 38 VAL N N 15 123.193 0.300 . 1 . . . . 38 VAL N . 26873 2 162 . 2 2 39 39 GLY H H 1 9.114 0.020 . 1 . . . . 39 GLY H . 26873 2 163 . 2 2 39 39 GLY C C 13 172.115 0.300 . 1 . . . . 39 GLY C . 26873 2 164 . 2 2 39 39 GLY CA C 13 46.253 0.300 . 1 . . . . 39 GLY CA . 26873 2 165 . 2 2 39 39 GLY N N 15 110.036 0.300 . 1 . . . . 39 GLY N . 26873 2 166 . 2 2 40 40 VAL H H 1 8.651 0.020 . 1 . . . . 40 VAL H . 26873 2 167 . 2 2 40 40 VAL C C 13 175.094 0.300 . 1 . . . . 40 VAL C . 26873 2 168 . 2 2 40 40 VAL CA C 13 60.405 0.300 . 1 . . . . 40 VAL CA . 26873 2 169 . 2 2 40 40 VAL CB C 13 35.705 0.300 . 1 . . . . 40 VAL CB . 26873 2 170 . 2 2 40 40 VAL N N 15 116.528 0.300 . 1 . . . . 40 VAL N . 26873 2 171 . 2 2 41 41 MET H H 1 9.812 0.020 . 1 . . . . 41 MET H . 26873 2 172 . 2 2 41 41 MET C C 13 175.144 0.300 . 1 . . . . 41 MET C . 26873 2 173 . 2 2 41 41 MET CA C 13 52.997 0.300 . 1 . . . . 41 MET CA . 26873 2 174 . 2 2 41 41 MET CB C 13 34.603 0.300 . 1 . . . . 41 MET CB . 26873 2 175 . 2 2 41 41 MET N N 15 133.312 0.300 . 1 . . . . 41 MET N . 26873 2 176 . 2 2 42 42 GLN H H 1 9.269 0.020 . 1 . . . . 42 GLN H . 26873 2 177 . 2 2 42 42 GLN C C 13 174.648 0.300 . 1 . . . . 42 GLN C . 26873 2 178 . 2 2 42 42 GLN CA C 13 56.187 0.300 . 1 . . . . 42 GLN CA . 26873 2 179 . 2 2 42 42 GLN CB C 13 31.908 0.300 . 1 . . . . 42 GLN CB . 26873 2 180 . 2 2 42 42 GLN N N 15 128.836 0.300 . 1 . . . . 42 GLN N . 26873 2 181 . 2 2 43 43 GLU H H 1 9.434 0.020 . 1 . . . . 43 GLU H . 26873 2 182 . 2 2 43 43 GLU C C 13 175.954 0.300 . 1 . . . . 43 GLU C . 26873 2 183 . 2 2 43 43 GLU CA C 13 56.946 0.300 . 1 . . . . 43 GLU CA . 26873 2 184 . 2 2 43 43 GLU CB C 13 27.316 0.300 . 1 . . . . 43 GLU CB . 26873 2 185 . 2 2 43 43 GLU N N 15 125.131 0.300 . 1 . . . . 43 GLU N . 26873 2 186 . 2 2 44 44 GLY H H 1 9.124 0.020 . 1 . . . . 44 GLY H . 26873 2 187 . 2 2 44 44 GLY C C 13 172.846 0.300 . 1 . . . . 44 GLY C . 26873 2 188 . 2 2 44 44 GLY CA C 13 45.044 0.300 . 1 . . . . 44 GLY CA . 26873 2 189 . 2 2 44 44 GLY N N 15 104.132 0.300 . 1 . . . . 44 GLY N . 26873 2 190 . 2 2 45 45 VAL H H 1 7.569 0.020 . 1 . . . . 45 VAL H . 26873 2 191 . 2 2 45 45 VAL C C 13 174.979 0.300 . 1 . . . . 45 VAL C . 26873 2 192 . 2 2 45 45 VAL CA C 13 60.490 0.300 . 1 . . . . 45 VAL CA . 26873 2 193 . 2 2 45 45 VAL CB C 13 34.327 0.300 . 1 . . . . 45 VAL CB . 26873 2 194 . 2 2 45 45 VAL N N 15 120.440 0.300 . 1 . . . . 45 VAL N . 26873 2 195 . 2 2 46 46 PHE H H 1 7.936 0.020 . 1 . . . . 46 PHE H . 26873 2 196 . 2 2 46 46 PHE C C 13 173.751 0.300 . 1 . . . . 46 PHE C . 26873 2 197 . 2 2 46 46 PHE CA C 13 56.890 0.300 . 1 . . . . 46 PHE CA . 26873 2 198 . 2 2 46 46 PHE CB C 13 40.252 0.300 . 1 . . . . 46 PHE CB . 26873 2 199 . 2 2 46 46 PHE N N 15 125.974 0.300 . 1 . . . . 46 PHE N . 26873 2 200 . 2 2 47 47 HIS H H 1 8.482 0.020 . 1 . . . . 47 HIS H . 26873 2 201 . 2 2 47 47 HIS C C 13 173.829 0.300 . 1 . . . . 47 HIS C . 26873 2 202 . 2 2 47 47 HIS CA C 13 55.241 0.300 . 1 . . . . 47 HIS CA . 26873 2 203 . 2 2 47 47 HIS CB C 13 29.494 0.300 . 1 . . . . 47 HIS CB . 26873 2 204 . 2 2 47 47 HIS N N 15 126.875 0.300 . 1 . . . . 47 HIS N . 26873 2 205 . 2 2 48 48 THR H H 1 8.957 0.020 . 1 . . . . 48 THR H . 26873 2 206 . 2 2 48 48 THR C C 13 172.759 0.300 . 1 . . . . 48 THR C . 26873 2 207 . 2 2 48 48 THR CA C 13 59.845 0.300 . 1 . . . . 48 THR CA . 26873 2 208 . 2 2 48 48 THR CB C 13 67.260 0.300 . 1 . . . . 48 THR CB . 26873 2 209 . 2 2 48 48 THR N N 15 117.382 0.300 . 1 . . . . 48 THR N . 26873 2 210 . 2 2 49 49 MET H H 1 8.515 0.020 . 1 . . . . 49 MET H . 26873 2 211 . 2 2 49 49 MET C C 13 177.694 0.300 . 1 . . . . 49 MET C . 26873 2 212 . 2 2 49 49 MET CA C 13 54.165 0.300 . 1 . . . . 49 MET CA . 26873 2 213 . 2 2 49 49 MET CB C 13 32.378 0.300 . 1 . . . . 49 MET CB . 26873 2 214 . 2 2 49 49 MET N N 15 116.945 0.300 . 1 . . . . 49 MET N . 26873 2 215 . 2 2 50 50 TRP H H 1 7.329 0.020 . 1 . . . . 50 TRP H . 26873 2 216 . 2 2 50 50 TRP C C 13 178.673 0.300 . 1 . . . . 50 TRP C . 26873 2 217 . 2 2 50 50 TRP CA C 13 60.667 0.300 . 1 . . . . 50 TRP CA . 26873 2 218 . 2 2 50 50 TRP CB C 13 27.015 0.300 . 1 . . . . 50 TRP CB . 26873 2 219 . 2 2 50 50 TRP N N 15 124.565 0.300 . 1 . . . . 50 TRP N . 26873 2 220 . 2 2 51 51 HIS H H 1 9.806 0.020 . 1 . . . . 51 HIS H . 26873 2 221 . 2 2 51 51 HIS C C 13 175.040 0.300 . 1 . . . . 51 HIS C . 26873 2 222 . 2 2 51 51 HIS CA C 13 58.707 0.300 . 1 . . . . 51 HIS CA . 26873 2 223 . 2 2 51 51 HIS CB C 13 27.165 0.300 . 1 . . . . 51 HIS CB . 26873 2 224 . 2 2 51 51 HIS N N 15 112.642 0.300 . 1 . . . . 51 HIS N . 26873 2 225 . 2 2 52 52 VAL H H 1 6.972 0.020 . 1 . . . . 52 VAL H . 26873 2 226 . 2 2 52 52 VAL C C 13 175.543 0.300 . 1 . . . . 52 VAL C . 26873 2 227 . 2 2 52 52 VAL CA C 13 64.913 0.300 . 1 . . . . 52 VAL CA . 26873 2 228 . 2 2 52 52 VAL CB C 13 30.796 0.300 . 1 . . . . 52 VAL CB . 26873 2 229 . 2 2 52 52 VAL N N 15 119.612 0.300 . 1 . . . . 52 VAL N . 26873 2 230 . 2 2 53 53 THR H H 1 6.321 0.020 . 1 . . . . 53 THR H . 26873 2 231 . 2 2 53 53 THR C C 13 175.840 0.300 . 1 . . . . 53 THR C . 26873 2 232 . 2 2 53 53 THR CA C 13 59.992 0.300 . 1 . . . . 53 THR CA . 26873 2 233 . 2 2 53 53 THR CB C 13 70.021 0.300 . 1 . . . . 53 THR CB . 26873 2 234 . 2 2 53 53 THR N N 15 101.286 0.300 . 1 . . . . 53 THR N . 26873 2 235 . 2 2 54 54 LYS H H 1 9.106 0.020 . 1 . . . . 54 LYS H . 26873 2 236 . 2 2 54 54 LYS C C 13 175.497 0.300 . 1 . . . . 54 LYS C . 26873 2 237 . 2 2 54 54 LYS CA C 13 55.755 0.300 . 1 . . . . 54 LYS CA . 26873 2 238 . 2 2 54 54 LYS CB C 13 28.442 0.300 . 1 . . . . 54 LYS CB . 26873 2 239 . 2 2 54 54 LYS N N 15 121.632 0.300 . 1 . . . . 54 LYS N . 26873 2 240 . 2 2 55 55 GLY H H 1 6.984 0.020 . 1 . . . . 55 GLY H . 26873 2 241 . 2 2 55 55 GLY C C 13 172.869 0.300 . 1 . . . . 55 GLY C . 26873 2 242 . 2 2 55 55 GLY CA C 13 44.665 0.300 . 1 . . . . 55 GLY CA . 26873 2 243 . 2 2 55 55 GLY N N 15 100.870 0.300 . 1 . . . . 55 GLY N . 26873 2 244 . 2 2 56 56 ALA H H 1 7.311 0.020 . 1 . . . . 56 ALA H . 26873 2 245 . 2 2 56 56 ALA C C 13 177.765 0.300 . 1 . . . . 56 ALA C . 26873 2 246 . 2 2 56 56 ALA CA C 13 51.607 0.300 . 1 . . . . 56 ALA CA . 26873 2 247 . 2 2 56 56 ALA CB C 13 18.823 0.300 . 1 . . . . 56 ALA CB . 26873 2 248 . 2 2 56 56 ALA N N 15 120.979 0.300 . 1 . . . . 56 ALA N . 26873 2 249 . 2 2 57 57 ALA H H 1 8.519 0.020 . 1 . . . . 57 ALA H . 26873 2 250 . 2 2 57 57 ALA C C 13 175.725 0.300 . 1 . . . . 57 ALA C . 26873 2 251 . 2 2 57 57 ALA CA C 13 52.698 0.300 . 1 . . . . 57 ALA CA . 26873 2 252 . 2 2 57 57 ALA CB C 13 18.231 0.300 . 1 . . . . 57 ALA CB . 26873 2 253 . 2 2 57 57 ALA N N 15 123.052 0.300 . 1 . . . . 57 ALA N . 26873 2 254 . 2 2 58 58 LEU H H 1 8.133 0.020 . 1 . . . . 58 LEU H . 26873 2 255 . 2 2 58 58 LEU C C 13 176.182 0.300 . 1 . . . . 58 LEU C . 26873 2 256 . 2 2 58 58 LEU CA C 13 51.821 0.300 . 1 . . . . 58 LEU CA . 26873 2 257 . 2 2 58 58 LEU CB C 13 45.190 0.300 . 1 . . . . 58 LEU CB . 26873 2 258 . 2 2 58 58 LEU N N 15 116.439 0.300 . 1 . . . . 58 LEU N . 26873 2 259 . 2 2 59 59 ARG H H 1 8.564 0.020 . 1 . . . . 59 ARG H . 26873 2 260 . 2 2 59 59 ARG C C 13 175.223 0.300 . 1 . . . . 59 ARG C . 26873 2 261 . 2 2 59 59 ARG CA C 13 55.206 0.300 . 1 . . . . 59 ARG CA . 26873 2 262 . 2 2 59 59 ARG CB C 13 30.020 0.300 . 1 . . . . 59 ARG CB . 26873 2 263 . 2 2 59 59 ARG N N 15 121.762 0.300 . 1 . . . . 59 ARG N . 26873 2 264 . 2 2 60 60 SER H H 1 7.938 0.020 . 1 . . . . 60 SER H . 26873 2 265 . 2 2 60 60 SER C C 13 175.268 0.300 . 1 . . . . 60 SER C . 26873 2 266 . 2 2 60 60 SER CA C 13 55.401 0.300 . 1 . . . . 60 SER CA . 26873 2 267 . 2 2 60 60 SER CB C 13 62.925 0.300 . 1 . . . . 60 SER CB . 26873 2 268 . 2 2 60 60 SER N N 15 116.959 0.300 . 1 . . . . 60 SER N . 26873 2 269 . 2 2 61 61 GLY H H 1 9.289 0.020 . 1 . . . . 61 GLY H . 26873 2 270 . 2 2 61 61 GLY C C 13 174.908 0.300 . 1 . . . . 61 GLY C . 26873 2 271 . 2 2 61 61 GLY CA C 13 46.554 0.300 . 1 . . . . 61 GLY CA . 26873 2 272 . 2 2 61 61 GLY N N 15 117.752 0.300 . 1 . . . . 61 GLY N . 26873 2 273 . 2 2 62 62 GLU H H 1 8.930 0.020 . 1 . . . . 62 GLU H . 26873 2 274 . 2 2 62 62 GLU C C 13 176.594 0.300 . 1 . . . . 62 GLU C . 26873 2 275 . 2 2 62 62 GLU CA C 13 55.885 0.300 . 1 . . . . 62 GLU CA . 26873 2 276 . 2 2 62 62 GLU N N 15 125.178 0.300 . 1 . . . . 62 GLU N . 26873 2 277 . 2 2 63 63 GLY H H 1 7.911 0.020 . 1 . . . . 63 GLY H . 26873 2 278 . 2 2 63 63 GLY C C 13 172.206 0.300 . 1 . . . . 63 GLY C . 26873 2 279 . 2 2 63 63 GLY CA C 13 43.934 0.300 . 1 . . . . 63 GLY CA . 26873 2 280 . 2 2 63 63 GLY N N 15 107.406 0.300 . 1 . . . . 63 GLY N . 26873 2 281 . 2 2 64 64 ARG H H 1 8.386 0.020 . 1 . . . . 64 ARG H . 26873 2 282 . 2 2 64 64 ARG C C 13 174.837 0.300 . 1 . . . . 64 ARG C . 26873 2 283 . 2 2 64 64 ARG CA C 13 54.565 0.300 . 1 . . . . 64 ARG CA . 26873 2 284 . 2 2 64 64 ARG CB C 13 32.479 0.300 . 1 . . . . 64 ARG CB . 26873 2 285 . 2 2 64 64 ARG N N 15 121.258 0.300 . 1 . . . . 64 ARG N . 26873 2 286 . 2 2 65 65 LEU H H 1 9.566 0.020 . 1 . . . . 65 LEU H . 26873 2 287 . 2 2 65 65 LEU C C 13 175.026 0.300 . 1 . . . . 65 LEU C . 26873 2 288 . 2 2 65 65 LEU CA C 13 53.299 0.300 . 1 . . . . 65 LEU CA . 26873 2 289 . 2 2 65 65 LEU CB C 13 41.218 0.300 . 1 . . . . 65 LEU CB . 26873 2 290 . 2 2 65 65 LEU N N 15 125.888 0.300 . 1 . . . . 65 LEU N . 26873 2 291 . 2 2 66 66 ASP H H 1 8.605 0.020 . 1 . . . . 66 ASP H . 26873 2 292 . 2 2 66 66 ASP CA C 13 51.708 0.300 . 1 . . . . 66 ASP CA . 26873 2 293 . 2 2 66 66 ASP CB C 13 41.063 0.300 . 1 . . . . 66 ASP CB . 26873 2 294 . 2 2 66 66 ASP N N 15 123.304 0.300 . 1 . . . . 66 ASP N . 26873 2 295 . 2 2 67 67 PRO C C 13 174.696 0.300 . 1 . . . . 67 PRO C . 26873 2 296 . 2 2 67 67 PRO CA C 13 62.606 0.300 . 1 . . . . 67 PRO CA . 26873 2 297 . 2 2 67 67 PRO CB C 13 29.953 0.300 . 1 . . . . 67 PRO CB . 26873 2 298 . 2 2 68 68 TYR H H 1 9.605 0.020 . 1 . . . . 68 TYR H . 26873 2 299 . 2 2 68 68 TYR C C 13 174.363 0.300 . 1 . . . . 68 TYR C . 26873 2 300 . 2 2 68 68 TYR CA C 13 58.674 0.300 . 1 . . . . 68 TYR CA . 26873 2 301 . 2 2 68 68 TYR CB C 13 41.576 0.300 . 1 . . . . 68 TYR CB . 26873 2 302 . 2 2 68 68 TYR N N 15 124.726 0.300 . 1 . . . . 68 TYR N . 26873 2 303 . 2 2 69 69 TRP H H 1 7.981 0.020 . 1 . . . . 69 TRP H . 26873 2 304 . 2 2 69 69 TRP C C 13 173.280 0.300 . 1 . . . . 69 TRP C . 26873 2 305 . 2 2 69 69 TRP CA C 13 56.177 0.300 . 1 . . . . 69 TRP CA . 26873 2 306 . 2 2 69 69 TRP CB C 13 30.846 0.300 . 1 . . . . 69 TRP CB . 26873 2 307 . 2 2 69 69 TRP N N 15 120.460 0.300 . 1 . . . . 69 TRP N . 26873 2 308 . 2 2 70 70 GLY H H 1 6.965 0.020 . 1 . . . . 70 GLY H . 26873 2 309 . 2 2 70 70 GLY C C 13 170.075 0.300 . 1 . . . . 70 GLY C . 26873 2 310 . 2 2 70 70 GLY CA C 13 45.289 0.300 . 1 . . . . 70 GLY CA . 26873 2 311 . 2 2 70 70 GLY N N 15 111.266 0.300 . 1 . . . . 70 GLY N . 26873 2 312 . 2 2 71 71 ASP H H 1 7.818 0.020 . 1 . . . . 71 ASP H . 26873 2 313 . 2 2 71 71 ASP C C 13 175.758 0.300 . 1 . . . . 71 ASP C . 26873 2 314 . 2 2 71 71 ASP CA C 13 53.041 0.300 . 1 . . . . 71 ASP CA . 26873 2 315 . 2 2 71 71 ASP CB C 13 44.141 0.300 . 1 . . . . 71 ASP CB . 26873 2 316 . 2 2 71 71 ASP N N 15 117.500 0.300 . 1 . . . . 71 ASP N . 26873 2 317 . 2 2 72 72 VAL H H 1 8.089 0.020 . 1 . . . . 72 VAL H . 26873 2 318 . 2 2 72 72 VAL C C 13 176.365 0.300 . 1 . . . . 72 VAL C . 26873 2 319 . 2 2 72 72 VAL CA C 13 65.040 0.300 . 1 . . . . 72 VAL CA . 26873 2 320 . 2 2 72 72 VAL CB C 13 30.846 0.300 . 1 . . . . 72 VAL CB . 26873 2 321 . 2 2 72 72 VAL N N 15 126.069 0.300 . 1 . . . . 72 VAL N . 26873 2 322 . 2 2 73 73 LYS H H 1 7.573 0.020 . 1 . . . . 73 LYS H . 26873 2 323 . 2 2 73 73 LYS C C 13 178.628 0.300 . 1 . . . . 73 LYS C . 26873 2 324 . 2 2 73 73 LYS CA C 13 58.835 0.300 . 1 . . . . 73 LYS CA . 26873 2 325 . 2 2 73 73 LYS CB C 13 31.147 0.300 . 1 . . . . 73 LYS CB . 26873 2 326 . 2 2 73 73 LYS N N 15 120.957 0.300 . 1 . . . . 73 LYS N . 26873 2 327 . 2 2 74 74 GLN H H 1 7.708 0.020 . 1 . . . . 74 GLN H . 26873 2 328 . 2 2 74 74 GLN C C 13 175.314 0.300 . 1 . . . . 74 GLN C . 26873 2 329 . 2 2 74 74 GLN CA C 13 56.599 0.300 . 1 . . . . 74 GLN CA . 26873 2 330 . 2 2 74 74 GLN CB C 13 28.882 0.300 . 1 . . . . 74 GLN CB . 26873 2 331 . 2 2 74 74 GLN N N 15 112.406 0.300 . 1 . . . . 74 GLN N . 26873 2 332 . 2 2 75 75 ASP H H 1 7.845 0.020 . 1 . . . . 75 ASP H . 26873 2 333 . 2 2 75 75 ASP C C 13 175.314 0.300 . 1 . . . . 75 ASP C . 26873 2 334 . 2 2 75 75 ASP CA C 13 54.279 0.300 . 1 . . . . 75 ASP CA . 26873 2 335 . 2 2 75 75 ASP CB C 13 37.758 0.300 . 1 . . . . 75 ASP CB . 26873 2 336 . 2 2 75 75 ASP N N 15 115.390 0.300 . 1 . . . . 75 ASP N . 26873 2 337 . 2 2 76 76 LEU H H 1 7.696 0.020 . 1 . . . . 76 LEU H . 26873 2 338 . 2 2 76 76 LEU C C 13 174.697 0.300 . 1 . . . . 76 LEU C . 26873 2 339 . 2 2 76 76 LEU CA C 13 53.591 0.300 . 1 . . . . 76 LEU CA . 26873 2 340 . 2 2 76 76 LEU CB C 13 48.275 0.300 . 1 . . . . 76 LEU CB . 26873 2 341 . 2 2 76 76 LEU N N 15 116.147 0.300 . 1 . . . . 76 LEU N . 26873 2 342 . 2 2 77 77 VAL H H 1 8.682 0.020 . 1 . . . . 77 VAL H . 26873 2 343 . 2 2 77 77 VAL C C 13 171.475 0.300 . 1 . . . . 77 VAL C . 26873 2 344 . 2 2 77 77 VAL CA C 13 59.710 0.300 . 1 . . . . 77 VAL CA . 26873 2 345 . 2 2 77 77 VAL CB C 13 35.279 0.300 . 1 . . . . 77 VAL CB . 26873 2 346 . 2 2 77 77 VAL N N 15 118.085 0.300 . 1 . . . . 77 VAL N . 26873 2 347 . 2 2 78 78 SER H H 1 10.127 0.020 . 1 . . . . 78 SER H . 26873 2 348 . 2 2 78 78 SER C C 13 173.966 0.300 . 1 . . . . 78 SER C . 26873 2 349 . 2 2 78 78 SER CA C 13 56.515 0.300 . 1 . . . . 78 SER CA . 26873 2 350 . 2 2 78 78 SER CB C 13 67.432 0.300 . 1 . . . . 78 SER CB . 26873 2 351 . 2 2 78 78 SER N N 15 120.950 0.300 . 1 . . . . 78 SER N . 26873 2 352 . 2 2 79 79 TYR H H 1 9.496 0.020 . 1 . . . . 79 TYR H . 26873 2 353 . 2 2 79 79 TYR C C 13 176.434 0.300 . 1 . . . . 79 TYR C . 26873 2 354 . 2 2 79 79 TYR CA C 13 57.348 0.300 . 1 . . . . 79 TYR CA . 26873 2 355 . 2 2 79 79 TYR CB C 13 40.688 0.300 . 1 . . . . 79 TYR CB . 26873 2 356 . 2 2 79 79 TYR N N 15 121.038 0.300 . 1 . . . . 79 TYR N . 26873 2 357 . 2 2 80 80 CYS H H 1 8.193 0.020 . 1 . . . . 80 CYS H . 26873 2 358 . 2 2 80 80 CYS C C 13 173.189 0.300 . 1 . . . . 80 CYS C . 26873 2 359 . 2 2 80 80 CYS CA C 13 61.295 0.300 . 1 . . . . 80 CYS CA . 26873 2 360 . 2 2 80 80 CYS CB C 13 26.414 0.300 . 1 . . . . 80 CYS CB . 26873 2 361 . 2 2 80 80 CYS N N 15 111.032 0.300 . 1 . . . . 80 CYS N . 26873 2 362 . 2 2 81 81 GLY H H 1 7.207 0.020 . 1 . . . . 81 GLY H . 26873 2 363 . 2 2 81 81 GLY C C 13 167.892 0.300 . 1 . . . . 81 GLY C . 26873 2 364 . 2 2 81 81 GLY CA C 13 43.955 0.300 . 1 . . . . 81 GLY CA . 26873 2 365 . 2 2 81 81 GLY N N 15 107.177 0.300 . 1 . . . . 81 GLY N . 26873 2 366 . 2 2 82 82 PRO C C 13 172.686 0.300 . 1 . . . . 82 PRO C . 26873 2 367 . 2 2 82 82 PRO CA C 13 61.608 0.300 . 1 . . . . 82 PRO CA . 26873 2 368 . 2 2 82 82 PRO CB C 13 31.753 0.300 . 1 . . . . 82 PRO CB . 26873 2 369 . 2 2 83 83 TRP H H 1 7.773 0.020 . 1 . . . . 83 TRP H . 26873 2 370 . 2 2 83 83 TRP C C 13 177.883 0.300 . 1 . . . . 83 TRP C . 26873 2 371 . 2 2 83 83 TRP CA C 13 59.169 0.300 . 1 . . . . 83 TRP CA . 26873 2 372 . 2 2 83 83 TRP CB C 13 28.694 0.300 . 1 . . . . 83 TRP CB . 26873 2 373 . 2 2 83 83 TRP N N 15 117.369 0.300 . 1 . . . . 83 TRP N . 26873 2 374 . 2 2 84 84 LYS H H 1 10.809 0.020 . 1 . . . . 84 LYS H . 26873 2 375 . 2 2 84 84 LYS C C 13 177.097 0.300 . 1 . . . . 84 LYS C . 26873 2 376 . 2 2 84 84 LYS CA C 13 54.343 0.300 . 1 . . . . 84 LYS CA . 26873 2 377 . 2 2 84 84 LYS CB C 13 33.349 0.300 . 1 . . . . 84 LYS CB . 26873 2 378 . 2 2 84 84 LYS N N 15 127.696 0.300 . 1 . . . . 84 LYS N . 26873 2 379 . 2 2 85 85 LEU H H 1 5.681 0.020 . 1 . . . . 85 LEU H . 26873 2 380 . 2 2 85 85 LEU C C 13 175.047 0.300 . 1 . . . . 85 LEU C . 26873 2 381 . 2 2 85 85 LEU CA C 13 54.622 0.300 . 1 . . . . 85 LEU CA . 26873 2 382 . 2 2 85 85 LEU CB C 13 38.659 0.300 . 1 . . . . 85 LEU CB . 26873 2 383 . 2 2 85 85 LEU N N 15 117.943 0.300 . 1 . . . . 85 LEU N . 26873 2 384 . 2 2 86 86 ASP C C 13 176.353 0.300 . 1 . . . . 86 ASP C . 26873 2 385 . 2 2 86 86 ASP CA C 13 54.523 0.300 . 1 . . . . 86 ASP CA . 26873 2 386 . 2 2 86 86 ASP CB C 13 41.528 0.300 . 1 . . . . 86 ASP CB . 26873 2 387 . 2 2 87 87 ALA H H 1 8.257 0.020 . 1 . . . . 87 ALA H . 26873 2 388 . 2 2 87 87 ALA C C 13 175.040 0.300 . 1 . . . . 87 ALA C . 26873 2 389 . 2 2 87 87 ALA CA C 13 52.404 0.300 . 1 . . . . 87 ALA CA . 26873 2 390 . 2 2 87 87 ALA CB C 13 18.977 0.300 . 1 . . . . 87 ALA CB . 26873 2 391 . 2 2 87 87 ALA N N 15 125.637 0.300 . 1 . . . . 87 ALA N . 26873 2 392 . 2 2 88 88 ALA H H 1 8.166 0.020 . 1 . . . . 88 ALA H . 26873 2 393 . 2 2 88 88 ALA C C 13 178.549 0.300 . 1 . . . . 88 ALA C . 26873 2 394 . 2 2 88 88 ALA CA C 13 49.303 0.300 . 1 . . . . 88 ALA CA . 26873 2 395 . 2 2 88 88 ALA CB C 13 21.982 0.300 . 1 . . . . 88 ALA CB . 26873 2 396 . 2 2 88 88 ALA N N 15 120.348 0.300 . 1 . . . . 88 ALA N . 26873 2 397 . 2 2 89 89 TRP H H 1 9.328 0.020 . 1 . . . . 89 TRP H . 26873 2 398 . 2 2 89 89 TRP C C 13 176.878 0.300 . 1 . . . . 89 TRP C . 26873 2 399 . 2 2 89 89 TRP CA C 13 56.646 0.300 . 1 . . . . 89 TRP CA . 26873 2 400 . 2 2 89 89 TRP CB C 13 27.579 0.300 . 1 . . . . 89 TRP CB . 26873 2 401 . 2 2 89 89 TRP N N 15 123.248 0.300 . 1 . . . . 89 TRP N . 26873 2 402 . 2 2 90 90 ASP H H 1 8.570 0.020 . 1 . . . . 90 ASP H . 26873 2 403 . 2 2 90 90 ASP C C 13 176.183 0.300 . 1 . . . . 90 ASP C . 26873 2 404 . 2 2 90 90 ASP CA C 13 53.944 0.300 . 1 . . . . 90 ASP CA . 26873 2 405 . 2 2 90 90 ASP CB C 13 39.260 0.300 . 1 . . . . 90 ASP CB . 26873 2 406 . 2 2 90 90 ASP N N 15 129.867 0.300 . 1 . . . . 90 ASP N . 26873 2 407 . 2 2 91 91 GLY H H 1 8.027 0.020 . 1 . . . . 91 GLY H . 26873 2 408 . 2 2 91 91 GLY C C 13 173.328 0.300 . 1 . . . . 91 GLY C . 26873 2 409 . 2 2 91 91 GLY CA C 13 43.932 0.300 . 1 . . . . 91 GLY CA . 26873 2 410 . 2 2 91 91 GLY N N 15 108.782 0.300 . 1 . . . . 91 GLY N . 26873 2 411 . 2 2 92 92 LEU H H 1 7.906 0.020 . 1 . . . . 92 LEU H . 26873 2 412 . 2 2 92 92 LEU C C 13 177.097 0.300 . 1 . . . . 92 LEU C . 26873 2 413 . 2 2 92 92 LEU CA C 13 55.482 0.300 . 1 . . . . 92 LEU CA . 26873 2 414 . 2 2 92 92 LEU CB C 13 46.068 0.300 . 1 . . . . 92 LEU CB . 26873 2 415 . 2 2 92 92 LEU N N 15 118.969 0.300 . 1 . . . . 92 LEU N . 26873 2 416 . 2 2 93 93 SER H H 1 9.802 0.020 . 1 . . . . 93 SER H . 26873 2 417 . 2 2 93 93 SER C C 13 174.606 0.300 . 1 . . . . 93 SER C . 26873 2 418 . 2 2 93 93 SER CA C 13 59.132 0.300 . 1 . . . . 93 SER CA . 26873 2 419 . 2 2 93 93 SER CB C 13 64.253 0.300 . 1 . . . . 93 SER CB . 26873 2 420 . 2 2 93 93 SER N N 15 117.457 0.300 . 1 . . . . 93 SER N . 26873 2 421 . 2 2 94 94 GLU H H 1 8.763 0.020 . 1 . . . . 94 GLU H . 26873 2 422 . 2 2 94 94 GLU C C 13 175.593 0.300 . 1 . . . . 94 GLU C . 26873 2 423 . 2 2 94 94 GLU CA C 13 57.399 0.300 . 1 . . . . 94 GLU CA . 26873 2 424 . 2 2 94 94 GLU CB C 13 30.170 0.300 . 1 . . . . 94 GLU CB . 26873 2 425 . 2 2 94 94 GLU N N 15 118.840 0.300 . 1 . . . . 94 GLU N . 26873 2 426 . 2 2 95 95 VAL H H 1 8.907 0.020 . 1 . . . . 95 VAL H . 26873 2 427 . 2 2 95 95 VAL C C 13 174.811 0.300 . 1 . . . . 95 VAL C . 26873 2 428 . 2 2 95 95 VAL CA C 13 58.170 0.300 . 1 . . . . 95 VAL CA . 26873 2 429 . 2 2 95 95 VAL CB C 13 33.927 0.300 . 1 . . . . 95 VAL CB . 26873 2 430 . 2 2 95 95 VAL N N 15 111.472 0.300 . 1 . . . . 95 VAL N . 26873 2 431 . 2 2 96 96 GLN H H 1 8.693 0.020 . 1 . . . . 96 GLN H . 26873 2 432 . 2 2 96 96 GLN C C 13 175.428 0.300 . 1 . . . . 96 GLN C . 26873 2 433 . 2 2 96 96 GLN CA C 13 53.179 0.300 . 1 . . . . 96 GLN CA . 26873 2 434 . 2 2 96 96 GLN CB C 13 29.795 0.300 . 1 . . . . 96 GLN CB . 26873 2 435 . 2 2 96 96 GLN N N 15 115.175 0.300 . 1 . . . . 96 GLN N . 26873 2 436 . 2 2 97 97 LEU H H 1 9.091 0.020 . 1 . . . . 97 LEU H . 26873 2 437 . 2 2 97 97 LEU C C 13 173.699 0.300 . 1 . . . . 97 LEU C . 26873 2 438 . 2 2 97 97 LEU CA C 13 53.099 0.300 . 1 . . . . 97 LEU CA . 26873 2 439 . 2 2 97 97 LEU CB C 13 43.481 0.300 . 1 . . . . 97 LEU CB . 26873 2 440 . 2 2 97 97 LEU N N 15 123.622 0.300 . 1 . . . . 97 LEU N . 26873 2 441 . 2 2 98 98 LEU H H 1 8.701 0.020 . 1 . . . . 98 LEU H . 26873 2 442 . 2 2 98 98 LEU C C 13 173.669 0.300 . 1 . . . . 98 LEU C . 26873 2 443 . 2 2 98 98 LEU CA C 13 53.081 0.300 . 1 . . . . 98 LEU CA . 26873 2 444 . 2 2 98 98 LEU CB C 13 39.754 0.300 . 1 . . . . 98 LEU CB . 26873 2 445 . 2 2 98 98 LEU N N 15 133.300 0.300 . 1 . . . . 98 LEU N . 26873 2 446 . 2 2 99 99 ALA H H 1 7.929 0.020 . 1 . . . . 99 ALA H . 26873 2 447 . 2 2 99 99 ALA C C 13 177.411 0.300 . 1 . . . . 99 ALA C . 26873 2 448 . 2 2 99 99 ALA CA C 13 51.252 0.300 . 1 . . . . 99 ALA CA . 26873 2 449 . 2 2 99 99 ALA CB C 13 17.549 0.300 . 1 . . . . 99 ALA CB . 26873 2 450 . 2 2 99 99 ALA N N 15 122.320 0.300 . 1 . . . . 99 ALA N . 26873 2 451 . 2 2 100 100 VAL H H 1 6.963 0.020 . 1 . . . . 100 VAL H . 26873 2 452 . 2 2 100 100 VAL C C 13 171.080 0.300 . 1 . . . . 100 VAL C . 26873 2 453 . 2 2 100 100 VAL CA C 13 58.432 0.300 . 1 . . . . 100 VAL CA . 26873 2 454 . 2 2 100 100 VAL CB C 13 29.795 0.300 . 1 . . . . 100 VAL CB . 26873 2 455 . 2 2 100 100 VAL N N 15 121.427 0.300 . 1 . . . . 100 VAL N . 26873 2 456 . 2 2 102 102 PRO C C 13 178.379 0.300 . 1 . . . . 102 PRO C . 26873 2 457 . 2 2 102 102 PRO CA C 13 62.612 0.300 . 1 . . . . 102 PRO CA . 26873 2 458 . 2 2 102 102 PRO CB C 13 30.847 0.300 . 1 . . . . 102 PRO CB . 26873 2 459 . 2 2 103 103 GLY H H 1 8.909 0.020 . 1 . . . . 103 GLY H . 26873 2 460 . 2 2 103 103 GLY C C 13 173.189 0.300 . 1 . . . . 103 GLY C . 26873 2 461 . 2 2 103 103 GLY CA C 13 45.570 0.300 . 1 . . . . 103 GLY CA . 26873 2 462 . 2 2 103 103 GLY N N 15 111.601 0.300 . 1 . . . . 103 GLY N . 26873 2 463 . 2 2 104 104 GLU H H 1 7.622 0.020 . 1 . . . . 104 GLU H . 26873 2 464 . 2 2 104 104 GLU C C 13 175.314 0.300 . 1 . . . . 104 GLU C . 26873 2 465 . 2 2 104 104 GLU CA C 13 53.558 0.300 . 1 . . . . 104 GLU CA . 26873 2 466 . 2 2 104 104 GLU CB C 13 33.040 0.300 . 1 . . . . 104 GLU CB . 26873 2 467 . 2 2 104 104 GLU N N 15 118.171 0.300 . 1 . . . . 104 GLU N . 26873 2 468 . 2 2 105 105 ARG H H 1 8.319 0.020 . 1 . . . . 105 ARG H . 26873 2 469 . 2 2 105 105 ARG C C 13 174.971 0.300 . 1 . . . . 105 ARG C . 26873 2 470 . 2 2 105 105 ARG CA C 13 55.376 0.300 . 1 . . . . 105 ARG CA . 26873 2 471 . 2 2 105 105 ARG CB C 13 29.795 0.300 . 1 . . . . 105 ARG CB . 26873 2 472 . 2 2 105 105 ARG N N 15 119.787 0.300 . 1 . . . . 105 ARG N . 26873 2 473 . 2 2 106 106 ALA H H 1 8.095 0.020 . 1 . . . . 106 ALA H . 26873 2 474 . 2 2 106 106 ALA C C 13 177.416 0.300 . 1 . . . . 106 ALA C . 26873 2 475 . 2 2 106 106 ALA CA C 13 51.514 0.300 . 1 . . . . 106 ALA CA . 26873 2 476 . 2 2 106 106 ALA CB C 13 18.451 0.300 . 1 . . . . 106 ALA CB . 26873 2 477 . 2 2 106 106 ALA N N 15 122.210 0.300 . 1 . . . . 106 ALA N . 26873 2 478 . 2 2 107 107 LYS H H 1 8.729 0.020 . 1 . . . . 107 LYS H . 26873 2 479 . 2 2 107 107 LYS C C 13 172.972 0.300 . 1 . . . . 107 LYS C . 26873 2 480 . 2 2 107 107 LYS CA C 13 54.836 0.300 . 1 . . . . 107 LYS CA . 26873 2 481 . 2 2 107 107 LYS CB C 13 35.071 0.300 . 1 . . . . 107 LYS CB . 26873 2 482 . 2 2 107 107 LYS N N 15 121.868 0.300 . 1 . . . . 107 LYS N . 26873 2 483 . 2 2 108 108 ASN H H 1 8.296 0.020 . 1 . . . . 108 ASN H . 26873 2 484 . 2 2 108 108 ASN C C 13 174.194 0.300 . 1 . . . . 108 ASN C . 26873 2 485 . 2 2 108 108 ASN CA C 13 52.644 0.300 . 1 . . . . 108 ASN CA . 26873 2 486 . 2 2 108 108 ASN CB C 13 38.659 0.300 . 1 . . . . 108 ASN CB . 26873 2 487 . 2 2 108 108 ASN N N 15 121.714 0.300 . 1 . . . . 108 ASN N . 26873 2 488 . 2 2 109 109 ILE H H 1 8.928 0.020 . 1 . . . . 109 ILE H . 26873 2 489 . 2 2 109 109 ILE C C 13 173.787 0.300 . 1 . . . . 109 ILE C . 26873 2 490 . 2 2 109 109 ILE CA C 13 59.167 0.300 . 1 . . . . 109 ILE CA . 26873 2 491 . 2 2 109 109 ILE CB C 13 39.937 0.300 . 1 . . . . 109 ILE CB . 26873 2 492 . 2 2 109 109 ILE N N 15 122.188 0.300 . 1 . . . . 109 ILE N . 26873 2 493 . 2 2 110 110 GLN H H 1 9.159 0.020 . 1 . . . . 110 GLN H . 26873 2 494 . 2 2 110 110 GLN C C 13 173.349 0.300 . 1 . . . . 110 GLN C . 26873 2 495 . 2 2 110 110 GLN CA C 13 54.136 0.300 . 1 . . . . 110 GLN CA . 26873 2 496 . 2 2 110 110 GLN CB C 13 30.020 0.300 . 1 . . . . 110 GLN CB . 26873 2 497 . 2 2 110 110 GLN N N 15 129.220 0.300 . 1 . . . . 110 GLN N . 26873 2 498 . 2 2 111 111 THR H H 1 8.803 0.020 . 1 . . . . 111 THR H . 26873 2 499 . 2 2 111 111 THR C C 13 170.658 0.300 . 1 . . . . 111 THR C . 26873 2 500 . 2 2 111 111 THR CA C 13 60.453 0.300 . 1 . . . . 111 THR CA . 26873 2 501 . 2 2 111 111 THR CB C 13 69.536 0.300 . 1 . . . . 111 THR CB . 26873 2 502 . 2 2 111 111 THR N N 15 117.063 0.300 . 1 . . . . 111 THR N . 26873 2 503 . 2 2 112 112 LEU H H 1 8.077 0.020 . 1 . . . . 112 LEU H . 26873 2 504 . 2 2 112 112 LEU C C 13 174.008 0.300 . 1 . . . . 112 LEU C . 26873 2 505 . 2 2 112 112 LEU CA C 13 50.867 0.300 . 1 . . . . 112 LEU CA . 26873 2 506 . 2 2 112 112 LEU CB C 13 41.807 0.300 . 1 . . . . 112 LEU CB . 26873 2 507 . 2 2 112 112 LEU N N 15 128.614 0.300 . 1 . . . . 112 LEU N . 26873 2 508 . 2 2 113 113 PRO C C 13 177.256 0.300 . 1 . . . . 113 PRO C . 26873 2 509 . 2 2 113 113 PRO CA C 13 62.870 0.300 . 1 . . . . 113 PRO CA . 26873 2 510 . 2 2 113 113 PRO CB C 13 30.367 0.300 . 1 . . . . 113 PRO CB . 26873 2 511 . 2 2 114 114 GLY H H 1 8.365 0.020 . 1 . . . . 114 GLY H . 26873 2 512 . 2 2 114 114 GLY C C 13 172.617 0.300 . 1 . . . . 114 GLY C . 26873 2 513 . 2 2 114 114 GLY CA C 13 42.911 0.300 . 1 . . . . 114 GLY CA . 26873 2 514 . 2 2 114 114 GLY N N 15 106.194 0.300 . 1 . . . . 114 GLY N . 26873 2 515 . 2 2 115 115 ILE H H 1 8.436 0.020 . 1 . . . . 115 ILE H . 26873 2 516 . 2 2 115 115 ILE C C 13 175.593 0.300 . 1 . . . . 115 ILE C . 26873 2 517 . 2 2 115 115 ILE CA C 13 58.971 0.300 . 1 . . . . 115 ILE CA . 26873 2 518 . 2 2 115 115 ILE N N 15 115.481 0.300 . 1 . . . . 115 ILE N . 26873 2 519 . 2 2 116 116 PHE H H 1 9.478 0.020 . 1 . . . . 116 PHE H . 26873 2 520 . 2 2 116 116 PHE C C 13 174.814 0.300 . 1 . . . . 116 PHE C . 26873 2 521 . 2 2 116 116 PHE CA C 13 51.913 0.300 . 1 . . . . 116 PHE CA . 26873 2 522 . 2 2 116 116 PHE N N 15 123.084 0.300 . 1 . . . . 116 PHE N . 26873 2 523 . 2 2 117 117 LYS H H 1 9.329 0.020 . 1 . . . . 117 LYS H . 26873 2 524 . 2 2 117 117 LYS C C 13 176.502 0.300 . 1 . . . . 117 LYS C . 26873 2 525 . 2 2 117 117 LYS CA C 13 55.138 0.300 . 1 . . . . 117 LYS CA . 26873 2 526 . 2 2 117 117 LYS CB C 13 30.546 0.300 . 1 . . . . 117 LYS CB . 26873 2 527 . 2 2 117 117 LYS N N 15 125.147 0.300 . 1 . . . . 117 LYS N . 26873 2 528 . 2 2 118 118 THR H H 1 7.902 0.020 . 1 . . . . 118 THR H . 26873 2 529 . 2 2 118 118 THR C C 13 174.926 0.300 . 1 . . . . 118 THR C . 26873 2 530 . 2 2 118 118 THR CA C 13 59.153 0.300 . 1 . . . . 118 THR CA . 26873 2 531 . 2 2 118 118 THR CB C 13 72.700 0.300 . 1 . . . . 118 THR CB . 26873 2 532 . 2 2 118 118 THR N N 15 115.280 0.300 . 1 . . . . 118 THR N . 26873 2 533 . 2 2 119 119 LYS H H 1 7.866 0.020 . 1 . . . . 119 LYS H . 26873 2 534 . 2 2 119 119 LYS C C 13 176.502 0.300 . 1 . . . . 119 LYS C . 26873 2 535 . 2 2 119 119 LYS CA C 13 57.862 0.300 . 1 . . . . 119 LYS CA . 26873 2 536 . 2 2 119 119 LYS CB C 13 30.748 0.300 . 1 . . . . 119 LYS CB . 26873 2 537 . 2 2 119 119 LYS N N 15 128.672 0.300 . 1 . . . . 119 LYS N . 26873 2 538 . 2 2 120 120 ASP H H 1 7.883 0.020 . 1 . . . . 120 ASP H . 26873 2 539 . 2 2 120 120 ASP C C 13 175.131 0.300 . 1 . . . . 120 ASP C . 26873 2 540 . 2 2 120 120 ASP CA C 13 53.864 0.300 . 1 . . . . 120 ASP CA . 26873 2 541 . 2 2 120 120 ASP CB C 13 41.812 0.300 . 1 . . . . 120 ASP CB . 26873 2 542 . 2 2 120 120 ASP N N 15 116.723 0.300 . 1 . . . . 120 ASP N . 26873 2 543 . 2 2 121 121 GLY H H 1 7.397 0.020 . 1 . . . . 121 GLY H . 26873 2 544 . 2 2 121 121 GLY C C 13 173.586 0.300 . 1 . . . . 121 GLY C . 26873 2 545 . 2 2 121 121 GLY CA C 13 43.906 0.300 . 1 . . . . 121 GLY CA . 26873 2 546 . 2 2 121 121 GLY N N 15 108.202 0.300 . 1 . . . . 121 GLY N . 26873 2 547 . 2 2 122 122 ASP H H 1 8.601 0.020 . 1 . . . . 122 ASP H . 26873 2 548 . 2 2 122 122 ASP C C 13 176.807 0.300 . 1 . . . . 122 ASP C . 26873 2 549 . 2 2 122 122 ASP CA C 13 53.681 0.300 . 1 . . . . 122 ASP CA . 26873 2 550 . 2 2 122 122 ASP CB C 13 41.048 0.300 . 1 . . . . 122 ASP CB . 26873 2 551 . 2 2 122 122 ASP N N 15 122.545 0.300 . 1 . . . . 122 ASP N . 26873 2 552 . 2 2 123 123 ILE H H 1 9.302 0.020 . 1 . . . . 123 ILE H . 26873 2 553 . 2 2 123 123 ILE C C 13 175.543 0.300 . 1 . . . . 123 ILE C . 26873 2 554 . 2 2 123 123 ILE CA C 13 59.881 0.300 . 1 . . . . 123 ILE CA . 26873 2 555 . 2 2 123 123 ILE CB C 13 41.479 0.300 . 1 . . . . 123 ILE CB . 26873 2 556 . 2 2 123 123 ILE N N 15 123.191 0.300 . 1 . . . . 123 ILE N . 26873 2 557 . 2 2 124 124 GLY H H 1 9.367 0.020 . 1 . . . . 124 GLY H . 26873 2 558 . 2 2 124 124 GLY C C 13 171.576 0.300 . 1 . . . . 124 GLY C . 26873 2 559 . 2 2 124 124 GLY CA C 13 46.425 0.300 . 1 . . . . 124 GLY CA . 26873 2 560 . 2 2 124 124 GLY N N 15 112.404 0.300 . 1 . . . . 124 GLY N . 26873 2 561 . 2 2 125 125 ALA H H 1 7.576 0.020 . 1 . . . . 125 ALA H . 26873 2 562 . 2 2 125 125 ALA CA C 13 50.148 0.300 . 1 . . . . 125 ALA CA . 26873 2 563 . 2 2 125 125 ALA CB C 13 19.049 0.300 . 1 . . . . 125 ALA CB . 26873 2 564 . 2 2 125 125 ALA N N 15 123.499 0.300 . 1 . . . . 125 ALA N . 26873 2 565 . 2 2 126 126 VAL H H 1 8.396 0.020 . 1 . . . . 126 VAL H . 26873 2 566 . 2 2 126 126 VAL C C 13 175.451 0.300 . 1 . . . . 126 VAL C . 26873 2 567 . 2 2 126 126 VAL CA C 13 62.369 0.300 . 1 . . . . 126 VAL CA . 26873 2 568 . 2 2 126 126 VAL N N 15 119.777 0.300 . 1 . . . . 126 VAL N . 26873 2 569 . 2 2 127 127 ALA H H 1 8.409 0.020 . 1 . . . . 127 ALA H . 26873 2 570 . 2 2 127 127 ALA C C 13 175.040 0.300 . 1 . . . . 127 ALA C . 26873 2 571 . 2 2 127 127 ALA CA C 13 50.074 0.300 . 1 . . . . 127 ALA CA . 26873 2 572 . 2 2 127 127 ALA CB C 13 17.174 0.300 . 1 . . . . 127 ALA CB . 26873 2 573 . 2 2 127 127 ALA N N 15 125.008 0.300 . 1 . . . . 127 ALA N . 26873 2 574 . 2 2 128 128 LEU H H 1 7.084 0.020 . 1 . . . . 128 LEU H . 26873 2 575 . 2 2 128 128 LEU C C 13 175.805 0.300 . 1 . . . . 128 LEU C . 26873 2 576 . 2 2 128 128 LEU CA C 13 52.807 0.300 . 1 . . . . 128 LEU CA . 26873 2 577 . 2 2 128 128 LEU CB C 13 45.247 0.300 . 1 . . . . 128 LEU CB . 26873 2 578 . 2 2 128 128 LEU N N 15 117.777 0.300 . 1 . . . . 128 LEU N . 26873 2 579 . 2 2 129 129 ASP H H 1 9.051 0.020 . 1 . . . . 129 ASP H . 26873 2 580 . 2 2 129 129 ASP C C 13 172.516 0.300 . 1 . . . . 129 ASP C . 26873 2 581 . 2 2 129 129 ASP CA C 13 54.070 0.300 . 1 . . . . 129 ASP CA . 26873 2 582 . 2 2 129 129 ASP N N 15 127.448 0.300 . 1 . . . . 129 ASP N . 26873 2 583 . 2 2 130 130 TYR H H 1 7.455 0.020 . 1 . . . . 130 TYR H . 26873 2 584 . 2 2 130 130 TYR C C 13 173.182 0.300 . 1 . . . . 130 TYR C . 26873 2 585 . 2 2 130 130 TYR CA C 13 56.588 0.300 . 1 . . . . 130 TYR CA . 26873 2 586 . 2 2 130 130 TYR CB C 13 39.447 0.300 . 1 . . . . 130 TYR CB . 26873 2 587 . 2 2 130 130 TYR N N 15 124.198 0.300 . 1 . . . . 130 TYR N . 26873 2 588 . 2 2 131 131 PRO C C 13 176.774 0.300 . 1 . . . . 131 PRO C . 26873 2 589 . 2 2 131 131 PRO CA C 13 62.077 0.300 . 1 . . . . 131 PRO CA . 26873 2 590 . 2 2 131 131 PRO CB C 13 32.797 0.300 . 1 . . . . 131 PRO CB . 26873 2 591 . 2 2 132 132 ALA H H 1 8.637 0.020 . 1 . . . . 132 ALA H . 26873 2 592 . 2 2 132 132 ALA C C 13 177.458 0.300 . 1 . . . . 132 ALA C . 26873 2 593 . 2 2 132 132 ALA CA C 13 53.246 0.300 . 1 . . . . 132 ALA CA . 26873 2 594 . 2 2 132 132 ALA CB C 13 17.219 0.300 . 1 . . . . 132 ALA CB . 26873 2 595 . 2 2 132 132 ALA N N 15 122.991 0.300 . 1 . . . . 132 ALA N . 26873 2 596 . 2 2 133 133 GLY H H 1 9.063 0.020 . 1 . . . . 133 GLY H . 26873 2 597 . 2 2 133 133 GLY C C 13 173.806 0.300 . 1 . . . . 133 GLY C . 26873 2 598 . 2 2 133 133 GLY CA C 13 44.622 0.300 . 1 . . . . 133 GLY CA . 26873 2 599 . 2 2 133 133 GLY N N 15 110.636 0.300 . 1 . . . . 133 GLY N . 26873 2 600 . 2 2 134 134 THR H H 1 8.033 0.020 . 1 . . . . 134 THR H . 26873 2 601 . 2 2 134 134 THR C C 13 175.954 0.300 . 1 . . . . 134 THR C . 26873 2 602 . 2 2 134 134 THR CA C 13 63.196 0.300 . 1 . . . . 134 THR CA . 26873 2 603 . 2 2 134 134 THR CB C 13 68.385 0.300 . 1 . . . . 134 THR CB . 26873 2 604 . 2 2 134 134 THR N N 15 114.719 0.300 . 1 . . . . 134 THR N . 26873 2 605 . 2 2 135 135 SER H H 1 8.585 0.020 . 1 . . . . 135 SER H . 26873 2 606 . 2 2 135 135 SER C C 13 172.206 0.300 . 1 . . . . 135 SER C . 26873 2 607 . 2 2 135 135 SER CA C 13 59.789 0.300 . 1 . . . . 135 SER CA . 26873 2 608 . 2 2 135 135 SER CB C 13 62.991 0.300 . 1 . . . . 135 SER CB . 26873 2 609 . 2 2 135 135 SER N N 15 119.627 0.300 . 1 . . . . 135 SER N . 26873 2 610 . 2 2 136 136 GLY H H 1 9.600 0.020 . 1 . . . . 136 GLY H . 26873 2 611 . 2 2 136 136 GLY C C 13 172.732 0.300 . 1 . . . . 136 GLY C . 26873 2 612 . 2 2 136 136 GLY CA C 13 43.888 0.300 . 1 . . . . 136 GLY CA . 26873 2 613 . 2 2 136 136 GLY N N 15 109.399 0.300 . 1 . . . . 136 GLY N . 26873 2 614 . 2 2 137 137 SER H H 1 7.659 0.020 . 1 . . . . 137 SER H . 26873 2 615 . 2 2 137 137 SER C C 13 171.930 0.300 . 1 . . . . 137 SER C . 26873 2 616 . 2 2 137 137 SER CA C 13 58.462 0.300 . 1 . . . . 137 SER CA . 26873 2 617 . 2 2 137 137 SER CB C 13 62.830 0.300 . 1 . . . . 137 SER CB . 26873 2 618 . 2 2 137 137 SER N N 15 115.549 0.300 . 1 . . . . 137 SER N . 26873 2 619 . 2 2 138 138 PRO C C 13 173.607 0.300 . 1 . . . . 138 PRO C . 26873 2 620 . 2 2 138 138 PRO CA C 13 62.073 0.300 . 1 . . . . 138 PRO CA . 26873 2 621 . 2 2 138 138 PRO CB C 13 32.448 0.300 . 1 . . . . 138 PRO CB . 26873 2 622 . 2 2 139 139 ILE H H 1 8.524 0.020 . 1 . . . . 139 ILE H . 26873 2 623 . 2 2 139 139 ILE C C 13 174.696 0.300 . 1 . . . . 139 ILE C . 26873 2 624 . 2 2 139 139 ILE CA C 13 59.042 0.300 . 1 . . . . 139 ILE CA . 26873 2 625 . 2 2 139 139 ILE CB C 13 37.833 0.300 . 1 . . . . 139 ILE CB . 26873 2 626 . 2 2 139 139 ILE N N 15 120.357 0.300 . 1 . . . . 139 ILE N . 26873 2 627 . 2 2 140 140 LEU H H 1 9.935 0.020 . 1 . . . . 140 LEU H . 26873 2 628 . 2 2 140 140 LEU C C 13 177.531 0.300 . 1 . . . . 140 LEU C . 26873 2 629 . 2 2 140 140 LEU CA C 13 53.356 0.300 . 1 . . . . 140 LEU CA . 26873 2 630 . 2 2 140 140 LEU CB C 13 45.496 0.300 . 1 . . . . 140 LEU CB . 26873 2 631 . 2 2 140 140 LEU N N 15 126.863 0.300 . 1 . . . . 140 LEU N . 26873 2 632 . 2 2 141 141 ASP H H 1 8.503 0.020 . 1 . . . . 141 ASP H . 26873 2 633 . 2 2 141 141 ASP C C 13 177.847 0.300 . 1 . . . . 141 ASP C . 26873 2 634 . 2 2 141 141 ASP CA C 13 51.206 0.300 . 1 . . . . 141 ASP CA . 26873 2 635 . 2 2 141 141 ASP CB C 13 41.980 0.300 . 1 . . . . 141 ASP CB . 26873 2 636 . 2 2 141 141 ASP N N 15 117.520 0.300 . 1 . . . . 141 ASP N . 26873 2 637 . 2 2 142 142 LYS H H 1 7.752 0.020 . 1 . . . . 142 LYS H . 26873 2 638 . 2 2 142 142 LYS C C 13 177.912 0.300 . 1 . . . . 142 LYS C . 26873 2 639 . 2 2 142 142 LYS CA C 13 57.129 0.300 . 1 . . . . 142 LYS CA . 26873 2 640 . 2 2 142 142 LYS CB C 13 30.539 0.300 . 1 . . . . 142 LYS CB . 26873 2 641 . 2 2 142 142 LYS N N 15 114.903 0.300 . 1 . . . . 142 LYS N . 26873 2 642 . 2 2 143 143 CYS H H 1 7.789 0.020 . 1 . . . . 143 CYS H . 26873 2 643 . 2 2 143 143 CYS C C 13 174.903 0.300 . 1 . . . . 143 CYS C . 26873 2 644 . 2 2 143 143 CYS CA C 13 58.508 0.300 . 1 . . . . 143 CYS CA . 26873 2 645 . 2 2 143 143 CYS CB C 13 26.840 0.300 . 1 . . . . 143 CYS CB . 26873 2 646 . 2 2 143 143 CYS N N 15 117.215 0.300 . 1 . . . . 143 CYS N . 26873 2 647 . 2 2 144 144 GLY H H 1 8.886 0.020 . 1 . . . . 144 GLY H . 26873 2 648 . 2 2 144 144 GLY C C 13 173.189 0.300 . 1 . . . . 144 GLY C . 26873 2 649 . 2 2 144 144 GLY CA C 13 44.972 0.300 . 1 . . . . 144 GLY CA . 26873 2 650 . 2 2 144 144 GLY N N 15 109.799 0.300 . 1 . . . . 144 GLY N . 26873 2 651 . 2 2 145 145 ARG H H 1 8.199 0.020 . 1 . . . . 145 ARG H . 26873 2 652 . 2 2 145 145 ARG C C 13 176.000 0.300 . 1 . . . . 145 ARG C . 26873 2 653 . 2 2 145 145 ARG CA C 13 54.656 0.300 . 1 . . . . 145 ARG CA . 26873 2 654 . 2 2 145 145 ARG CB C 13 29.419 0.300 . 1 . . . . 145 ARG CB . 26873 2 655 . 2 2 145 145 ARG N N 15 119.087 0.300 . 1 . . . . 145 ARG N . 26873 2 656 . 2 2 146 146 VAL H H 1 8.474 0.020 . 1 . . . . 146 VAL H . 26873 2 657 . 2 2 146 146 VAL C C 13 176.502 0.300 . 1 . . . . 146 VAL C . 26873 2 658 . 2 2 146 146 VAL CA C 13 62.663 0.300 . 1 . . . . 146 VAL CA . 26873 2 659 . 2 2 146 146 VAL CB C 13 29.945 0.300 . 1 . . . . 146 VAL CB . 26873 2 660 . 2 2 146 146 VAL N N 15 119.882 0.300 . 1 . . . . 146 VAL N . 26873 2 661 . 2 2 147 147 ILE H H 1 9.041 0.020 . 1 . . . . 147 ILE H . 26873 2 662 . 2 2 147 147 ILE C C 13 174.171 0.300 . 1 . . . . 147 ILE C . 26873 2 663 . 2 2 147 147 ILE CA C 13 60.402 0.300 . 1 . . . . 147 ILE CA . 26873 2 664 . 2 2 147 147 ILE CB C 13 37.157 0.300 . 1 . . . . 147 ILE CB . 26873 2 665 . 2 2 147 147 ILE N N 15 122.476 0.300 . 1 . . . . 147 ILE N . 26873 2 666 . 2 2 148 148 GLY H H 1 7.389 0.020 . 1 . . . . 148 GLY H . 26873 2 667 . 2 2 148 148 GLY C C 13 170.103 0.300 . 1 . . . . 148 GLY C . 26873 2 668 . 2 2 148 148 GLY CA C 13 43.927 0.300 . 1 . . . . 148 GLY CA . 26873 2 669 . 2 2 148 148 GLY N N 15 104.673 0.300 . 1 . . . . 148 GLY N . 26873 2 670 . 2 2 149 149 LEU H H 1 9.441 0.020 . 1 . . . . 149 LEU H . 26873 2 671 . 2 2 149 149 LEU C C 13 177.031 0.300 . 1 . . . . 149 LEU C . 26873 2 672 . 2 2 149 149 LEU CA C 13 52.971 0.300 . 1 . . . . 149 LEU CA . 26873 2 673 . 2 2 149 149 LEU CB C 13 43.174 0.300 . 1 . . . . 149 LEU CB . 26873 2 674 . 2 2 149 149 LEU N N 15 116.263 0.300 . 1 . . . . 149 LEU N . 26873 2 675 . 2 2 150 150 TYR H H 1 9.158 0.020 . 1 . . . . 150 TYR H . 26873 2 676 . 2 2 150 150 TYR C C 13 175.212 0.300 . 1 . . . . 150 TYR C . 26873 2 677 . 2 2 150 150 TYR CA C 13 57.475 0.300 . 1 . . . . 150 TYR CA . 26873 2 678 . 2 2 150 150 TYR CB C 13 41.740 0.300 . 1 . . . . 150 TYR CB . 26873 2 679 . 2 2 150 150 TYR N N 15 123.288 0.300 . 1 . . . . 150 TYR N . 26873 2 680 . 2 2 151 151 GLY H H 1 8.203 0.020 . 1 . . . . 151 GLY H . 26873 2 681 . 2 2 151 151 GLY C C 13 172.572 0.300 . 1 . . . . 151 GLY C . 26873 2 682 . 2 2 151 151 GLY CA C 13 45.944 0.300 . 1 . . . . 151 GLY CA . 26873 2 683 . 2 2 151 151 GLY N N 15 111.437 0.300 . 1 . . . . 151 GLY N . 26873 2 684 . 2 2 152 152 ASN H H 1 8.444 0.020 . 1 . . . . 152 ASN H . 26873 2 685 . 2 2 152 152 ASN C C 13 175.497 0.300 . 1 . . . . 152 ASN C . 26873 2 686 . 2 2 152 152 ASN CA C 13 52.417 0.300 . 1 . . . . 152 ASN CA . 26873 2 687 . 2 2 152 152 ASN CB C 13 39.411 0.300 . 1 . . . . 152 ASN CB . 26873 2 688 . 2 2 152 152 ASN N N 15 119.900 0.300 . 1 . . . . 152 ASN N . 26873 2 689 . 2 2 153 153 GLY H H 1 8.487 0.020 . 1 . . . . 153 GLY H . 26873 2 690 . 2 2 153 153 GLY C C 13 171.531 0.300 . 1 . . . . 153 GLY C . 26873 2 691 . 2 2 153 153 GLY CA C 13 45.883 0.300 . 1 . . . . 153 GLY CA . 26873 2 692 . 2 2 153 153 GLY N N 15 113.632 0.300 . 1 . . . . 153 GLY N . 26873 2 693 . 2 2 154 154 VAL H H 1 8.823 0.020 . 1 . . . . 154 VAL H . 26873 2 694 . 2 2 154 154 VAL C C 13 171.956 0.300 . 1 . . . . 154 VAL C . 26873 2 695 . 2 2 154 154 VAL CA C 13 58.967 0.300 . 1 . . . . 154 VAL CA . 26873 2 696 . 2 2 154 154 VAL CB C 13 35.720 0.300 . 1 . . . . 154 VAL CB . 26873 2 697 . 2 2 154 154 VAL N N 15 119.116 0.300 . 1 . . . . 154 VAL N . 26873 2 698 . 2 2 155 155 VAL H H 1 8.074 0.020 . 1 . . . . 155 VAL H . 26873 2 699 . 2 2 155 155 VAL C C 13 177.101 0.300 . 1 . . . . 155 VAL C . 26873 2 700 . 2 2 155 155 VAL CA C 13 61.108 0.300 . 1 . . . . 155 VAL CA . 26873 2 701 . 2 2 155 155 VAL CB C 13 31.898 0.300 . 1 . . . . 155 VAL CB . 26873 2 702 . 2 2 155 155 VAL N N 15 122.720 0.300 . 1 . . . . 155 VAL N . 26873 2 703 . 2 2 156 156 ILE CA C 13 60.717 0.300 . 1 . . . . 156 ILE CA . 26873 2 704 . 2 2 156 156 ILE CB C 13 37.187 0.300 . 1 . . . . 156 ILE CB . 26873 2 705 . 2 2 157 157 LYS H H 1 8.351 0.020 . 1 . . . . 157 LYS H . 26873 2 706 . 2 2 157 157 LYS CA C 13 59.391 0.300 . 1 . . . . 157 LYS CA . 26873 2 707 . 2 2 157 157 LYS CB C 13 31.072 0.300 . 1 . . . . 157 LYS CB . 26873 2 708 . 2 2 157 157 LYS N N 15 119.455 0.300 . 1 . . . . 157 LYS N . 26873 2 709 . 2 2 158 158 ASN H H 1 7.752 0.020 . 1 . . . . 158 ASN H . 26873 2 710 . 2 2 158 158 ASN C C 13 176.457 0.300 . 1 . . . . 158 ASN C . 26873 2 711 . 2 2 158 158 ASN CA C 13 52.422 0.300 . 1 . . . . 158 ASN CA . 26873 2 712 . 2 2 158 158 ASN N N 15 114.228 0.300 . 1 . . . . 158 ASN N . 26873 2 713 . 2 2 159 159 GLY H H 1 8.458 0.020 . 1 . . . . 159 GLY H . 26873 2 714 . 2 2 159 159 GLY C C 13 174.217 0.300 . 1 . . . . 159 GLY C . 26873 2 715 . 2 2 159 159 GLY CA C 13 44.668 0.300 . 1 . . . . 159 GLY CA . 26873 2 716 . 2 2 159 159 GLY N N 15 108.207 0.300 . 1 . . . . 159 GLY N . 26873 2 717 . 2 2 160 160 SER H H 1 7.751 0.020 . 1 . . . . 160 SER H . 26873 2 718 . 2 2 160 160 SER C C 13 171.363 0.300 . 1 . . . . 160 SER C . 26873 2 719 . 2 2 160 160 SER CA C 13 58.466 0.300 . 1 . . . . 160 SER CA . 26873 2 720 . 2 2 160 160 SER CB C 13 63.522 0.300 . 1 . . . . 160 SER CB . 26873 2 721 . 2 2 160 160 SER N N 15 116.905 0.300 . 1 . . . . 160 SER N . 26873 2 722 . 2 2 161 161 TYR H H 1 7.743 0.020 . 1 . . . . 161 TYR H . 26873 2 723 . 2 2 161 161 TYR C C 13 174.079 0.300 . 1 . . . . 161 TYR C . 26873 2 724 . 2 2 161 161 TYR CA C 13 56.855 0.300 . 1 . . . . 161 TYR CA . 26873 2 725 . 2 2 161 161 TYR CB C 13 41.439 0.300 . 1 . . . . 161 TYR CB . 26873 2 726 . 2 2 161 161 TYR N N 15 121.722 0.300 . 1 . . . . 161 TYR N . 26873 2 727 . 2 2 162 162 VAL C C 13 174.057 0.300 . 1 . . . . 162 VAL C . 26873 2 728 . 2 2 162 162 VAL CA C 13 59.961 0.300 . 1 . . . . 162 VAL CA . 26873 2 729 . 2 2 162 162 VAL CB C 13 33.384 0.300 . 1 . . . . 162 VAL CB . 26873 2 730 . 2 2 163 163 SER H H 1 8.300 0.020 . 1 . . . . 163 SER H . 26873 2 731 . 2 2 163 163 SER C C 13 175.200 0.300 . 1 . . . . 163 SER C . 26873 2 732 . 2 2 163 163 SER CA C 13 55.420 0.300 . 1 . . . . 163 SER CA . 26873 2 733 . 2 2 163 163 SER CB C 13 66.401 0.300 . 1 . . . . 163 SER CB . 26873 2 734 . 2 2 163 163 SER N N 15 116.512 0.300 . 1 . . . . 163 SER N . 26873 2 735 . 2 2 164 164 ALA H H 1 9.086 0.020 . 1 . . . . 164 ALA H . 26873 2 736 . 2 2 164 164 ALA C C 13 179.876 0.300 . 1 . . . . 164 ALA C . 26873 2 737 . 2 2 164 164 ALA CA C 13 52.952 0.300 . 1 . . . . 164 ALA CA . 26873 2 738 . 2 2 164 164 ALA CB C 13 18.150 0.300 . 1 . . . . 164 ALA CB . 26873 2 739 . 2 2 164 164 ALA N N 15 129.397 0.300 . 1 . . . . 164 ALA N . 26873 2 740 . 2 2 165 165 ILE H H 1 8.461 0.020 . 1 . . . . 165 ILE H . 26873 2 741 . 2 2 165 165 ILE C C 13 174.601 0.300 . 1 . . . . 165 ILE C . 26873 2 742 . 2 2 165 165 ILE CA C 13 61.606 0.300 . 1 . . . . 165 ILE CA . 26873 2 743 . 2 2 165 165 ILE CB C 13 35.480 0.300 . 1 . . . . 165 ILE CB . 26873 2 744 . 2 2 165 165 ILE N N 15 125.048 0.300 . 1 . . . . 165 ILE N . 26873 2 745 . 2 2 166 166 THR H H 1 7.421 0.020 . 1 . . . . 166 THR H . 26873 2 746 . 2 2 166 166 THR C C 13 172.736 0.300 . 1 . . . . 166 THR C . 26873 2 747 . 2 2 166 166 THR CA C 13 64.026 0.300 . 1 . . . . 166 THR CA . 26873 2 748 . 2 2 166 166 THR CB C 13 68.264 0.300 . 1 . . . . 166 THR CB . 26873 2 749 . 2 2 166 166 THR N N 15 122.841 0.300 . 1 . . . . 166 THR N . 26873 2 750 . 2 2 167 167 GLN H H 1 8.711 0.020 . 1 . . . . 167 GLN H . 26873 2 751 . 2 2 167 167 GLN C C 13 175.885 0.300 . 1 . . . . 167 GLN C . 26873 2 752 . 2 2 167 167 GLN CA C 13 52.027 0.300 . 1 . . . . 167 GLN CA . 26873 2 753 . 2 2 167 167 GLN CB C 13 32.065 0.300 . 1 . . . . 167 GLN CB . 26873 2 754 . 2 2 167 167 GLN N N 15 129.131 0.300 . 1 . . . . 167 GLN N . 26873 2 755 . 2 2 168 168 GLY H H 1 8.364 0.020 . 1 . . . . 168 GLY H . 26873 2 756 . 2 2 168 168 GLY C C 13 172.298 0.300 . 1 . . . . 168 GLY C . 26873 2 757 . 2 2 168 168 GLY CA C 13 43.716 0.300 . 1 . . . . 168 GLY CA . 26873 2 758 . 2 2 168 168 GLY N N 15 115.575 0.300 . 1 . . . . 168 GLY N . 26873 2 759 . 2 2 169 169 LYS H H 1 7.976 0.020 . 1 . . . . 169 LYS H . 26873 2 760 . 2 2 169 169 LYS C C 13 175.569 0.300 . 1 . . . . 169 LYS C . 26873 2 761 . 2 2 169 169 LYS CA C 13 54.667 0.300 . 1 . . . . 169 LYS CA . 26873 2 762 . 2 2 169 169 LYS CB C 13 32.875 0.300 . 1 . . . . 169 LYS CB . 26873 2 763 . 2 2 169 169 LYS N N 15 121.537 0.300 . 1 . . . . 169 LYS N . 26873 2 764 . 2 2 170 170 ARG H H 1 8.557 0.020 . 1 . . . . 170 ARG H . 26873 2 765 . 2 2 170 170 ARG C C 13 176.096 0.300 . 1 . . . . 170 ARG C . 26873 2 766 . 2 2 170 170 ARG CA C 13 55.213 0.300 . 1 . . . . 170 ARG CA . 26873 2 767 . 2 2 170 170 ARG CB C 13 29.810 0.300 . 1 . . . . 170 ARG CB . 26873 2 768 . 2 2 170 170 ARG N N 15 125.020 0.300 . 1 . . . . 170 ARG N . 26873 2 769 . 2 2 171 171 GLU H H 1 8.494 0.020 . 1 . . . . 171 GLU H . 26873 2 770 . 2 2 171 171 GLU C C 13 176.228 0.300 . 1 . . . . 171 GLU C . 26873 2 771 . 2 2 171 171 GLU CA C 13 55.524 0.300 . 1 . . . . 171 GLU CA . 26873 2 772 . 2 2 171 171 GLU CB C 13 29.864 0.300 . 1 . . . . 171 GLU CB . 26873 2 773 . 2 2 171 171 GLU N N 15 125.135 0.300 . 1 . . . . 171 GLU N . 26873 2 774 . 2 2 172 172 GLU H H 1 8.491 0.020 . 1 . . . . 172 GLU H . 26873 2 775 . 2 2 172 172 GLU C C 13 176.548 0.300 . 1 . . . . 172 GLU C . 26873 2 776 . 2 2 172 172 GLU CA C 13 55.816 0.300 . 1 . . . . 172 GLU CA . 26873 2 777 . 2 2 172 172 GLU CB C 13 29.654 0.300 . 1 . . . . 172 GLU CB . 26873 2 778 . 2 2 172 172 GLU N N 15 122.306 0.300 . 1 . . . . 172 GLU N . 26873 2 779 . 2 2 173 173 GLU H H 1 8.296 0.020 . 1 . . . . 173 GLU H . 26873 2 780 . 2 2 173 173 GLU C C 13 176.342 0.300 . 1 . . . . 173 GLU C . 26873 2 781 . 2 2 173 173 GLU CA C 13 55.782 0.300 . 1 . . . . 173 GLU CA . 26873 2 782 . 2 2 173 173 GLU CB C 13 29.599 0.300 . 1 . . . . 173 GLU CB . 26873 2 783 . 2 2 173 173 GLU N N 15 121.277 0.300 . 1 . . . . 173 GLU N . 26873 2 784 . 2 2 174 174 THR H H 1 8.280 0.020 . 1 . . . . 174 THR H . 26873 2 785 . 2 2 174 174 THR C C 13 172.686 0.300 . 1 . . . . 174 THR C . 26873 2 786 . 2 2 174 174 THR CA C 13 59.476 0.300 . 1 . . . . 174 THR CA . 26873 2 787 . 2 2 174 174 THR CB C 13 69.331 0.300 . 1 . . . . 174 THR CB . 26873 2 788 . 2 2 174 174 THR N N 15 118.652 0.300 . 1 . . . . 174 THR N . 26873 2 789 . 2 2 175 175 PRO C C 13 176.845 0.300 . 1 . . . . 175 PRO C . 26873 2 790 . 2 2 175 175 PRO CA C 13 62.606 0.300 . 1 . . . . 175 PRO CA . 26873 2 791 . 2 2 175 175 PRO CB C 13 31.154 0.300 . 1 . . . . 175 PRO CB . 26873 2 792 . 2 2 176 176 VAL H H 1 8.228 0.020 . 1 . . . . 176 VAL H . 26873 2 793 . 2 2 176 176 VAL C C 13 175.380 0.300 . 1 . . . . 176 VAL C . 26873 2 794 . 2 2 176 176 VAL CA C 13 61.961 0.300 . 1 . . . . 176 VAL CA . 26873 2 795 . 2 2 176 176 VAL CB C 13 32.028 0.300 . 1 . . . . 176 VAL CB . 26873 2 796 . 2 2 176 176 VAL N N 15 120.598 0.300 . 1 . . . . 176 VAL N . 26873 2 797 . 2 2 177 177 GLU H H 1 7.878 0.020 . 1 . . . . 177 GLU H . 26873 2 798 . 2 2 177 177 GLU C C 13 180.880 0.300 . 1 . . . . 177 GLU C . 26873 2 799 . 2 2 177 177 GLU CA C 13 57.440 0.300 . 1 . . . . 177 GLU CA . 26873 2 800 . 2 2 177 177 GLU CB C 13 30.438 0.300 . 1 . . . . 177 GLU CB . 26873 2 801 . 2 2 177 177 GLU N N 15 128.816 0.300 . 1 . . . . 177 GLU N . 26873 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 26873 _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' . . . 26873 3 2 '3D HNCACB' . . . 26873 3 4 '3D HNCA' . . . 26873 3 6 '3D HNCO' . . . 26873 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 . 1 1 53 53 VAL H H 1 8.184 0.020 . 1 . . . . 76 VAL H . 26873 3 2 . 1 1 53 53 VAL C C 13 173.894 0.300 . 1 . . . . 76 VAL C . 26873 3 3 . 1 1 53 53 VAL CA C 13 58.709 0.300 . 1 . . . . 76 VAL CA . 26873 3 4 . 1 1 53 53 VAL CB C 13 36.290 0.300 . 1 . . . . 76 VAL CB . 26873 3 5 . 1 1 53 53 VAL N N 15 117.312 0.300 . 1 . . . . 76 VAL N . 26873 3 6 . 1 1 54 54 ALA H H 1 8.924 0.020 . 1 . . . . 77 ALA H . 26873 3 7 . 1 1 54 54 ALA C C 13 174.865 0.300 . 1 . . . . 77 ALA C . 26873 3 8 . 1 1 54 54 ALA CA C 13 50.135 0.300 . 1 . . . . 77 ALA CA . 26873 3 9 . 1 1 54 54 ALA CB C 13 20.836 0.300 . 1 . . . . 77 ALA CB . 26873 3 10 . 1 1 54 54 ALA N N 15 123.240 0.300 . 1 . . . . 77 ALA N . 26873 3 11 . 1 1 55 55 LEU H H 1 8.412 0.020 . 1 . . . . 78 LEU H . 26873 3 12 . 1 1 55 55 LEU C C 13 175.997 0.300 . 1 . . . . 78 LEU C . 26873 3 13 . 1 1 55 55 LEU CA C 13 53.246 0.300 . 1 . . . . 78 LEU CA . 26873 3 14 . 1 1 55 55 LEU CB C 13 43.471 0.300 . 1 . . . . 78 LEU CB . 26873 3 15 . 1 1 55 55 LEU N N 15 124.003 0.300 . 1 . . . . 78 LEU N . 26873 3 16 . 1 1 57 57 GLU H H 1 8.239 0.020 . 1 . . . . 80 GLU H . 26873 3 17 . 1 1 57 57 GLU C C 13 176.953 0.300 . 1 . . . . 80 GLU C . 26873 3 18 . 1 1 57 57 GLU CA C 13 57.816 0.300 . 1 . . . . 80 GLU CA . 26873 3 19 . 1 1 57 57 GLU N N 15 114.803 0.300 . 1 . . . . 80 GLU N . 26873 3 20 . 1 1 58 58 SER H H 1 8.074 0.020 . 1 . . . . 81 SER H . 26873 3 21 . 1 1 58 58 SER C C 13 173.992 0.300 . 1 . . . . 81 SER C . 26873 3 22 . 1 1 58 58 SER CA C 13 57.626 0.300 . 1 . . . . 81 SER CA . 26873 3 23 . 1 1 58 58 SER CB C 13 63.201 0.300 . 1 . . . . 81 SER CB . 26873 3 24 . 1 1 58 58 SER N N 15 113.633 0.300 . 1 . . . . 81 SER N . 26873 3 25 . 1 1 59 59 GLY H H 1 8.016 0.020 . 1 . . . . 82 GLY H . 26873 3 26 . 1 1 59 59 GLY C C 13 172.643 0.300 . 1 . . . . 82 GLY C . 26873 3 27 . 1 1 59 59 GLY CA C 13 46.439 0.300 . 1 . . . . 82 GLY CA . 26873 3 28 . 1 1 59 59 GLY N N 15 109.100 0.300 . 1 . . . . 82 GLY N . 26873 3 29 . 1 1 60 60 ASP H H 1 7.763 0.020 . 1 . . . . 83 ASP H . 26873 3 30 . 1 1 60 60 ASP C C 13 174.648 0.300 . 1 . . . . 83 ASP C . 26873 3 31 . 1 1 60 60 ASP CA C 13 53.068 0.300 . 1 . . . . 83 ASP CA . 26873 3 32 . 1 1 60 60 ASP CB C 13 41.136 0.300 . 1 . . . . 83 ASP CB . 26873 3 33 . 1 1 60 60 ASP N N 15 117.590 0.300 . 1 . . . . 83 ASP N . 26873 3 34 . 1 1 61 61 PHE H H 1 9.424 0.020 . 1 . . . . 84 PHE H . 26873 3 35 . 1 1 61 61 PHE C C 13 176.419 0.300 . 1 . . . . 84 PHE C . 26873 3 36 . 1 1 61 61 PHE CA C 13 56.962 0.300 . 1 . . . . 84 PHE CA . 26873 3 37 . 1 1 61 61 PHE N N 15 124.622 0.300 . 1 . . . . 84 PHE N . 26873 3 38 . 1 1 62 62 SER H H 1 8.968 0.020 . 1 . . . . 85 SER H . 26873 3 39 . 1 1 62 62 SER C C 13 173.549 0.300 . 1 . . . . 85 SER C . 26873 3 40 . 1 1 62 62 SER CA C 13 56.586 0.300 . 1 . . . . 85 SER CA . 26873 3 41 . 1 1 62 62 SER CB C 13 65.234 0.300 . 1 . . . . 85 SER CB . 26873 3 42 . 1 1 62 62 SER N N 15 112.836 0.300 . 1 . . . . 85 SER N . 26873 3 43 . 1 1 63 63 LEU H H 1 8.790 0.020 . 1 . . . . 86 LEU H . 26873 3 44 . 1 1 63 63 LEU C C 13 176.913 0.300 . 1 . . . . 86 LEU C . 26873 3 45 . 1 1 63 63 LEU CA C 13 54.801 0.300 . 1 . . . . 86 LEU CA . 26873 3 46 . 1 1 63 63 LEU CB C 13 41.211 0.300 . 1 . . . . 86 LEU CB . 26873 3 47 . 1 1 63 63 LEU N N 15 122.325 0.300 . 1 . . . . 86 LEU N . 26873 3 stop_ save_