data_53712 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53712 _Entry.Title ; Backbone chemical shift assignment for monomeric 14-3-3zeta pS58 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-08 _Entry.Accession_date 2026-04-08 _Entry.Last_release_date 2026-04-08 _Entry.Original_release_date 2026-04-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; The entry contains backbone chemical shift assignment for full-length monomeric construct of human 14-3-3zeta pS58 protein. The chemical shift assignment was obtained by a combination of two datasets for two monomeric 14-3-3zeta constructs - one mainly used for the assignment of the structured part of the protein (residues 1-229) and the other for the assignment of the flexible C-terminus (229-245). ; _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 Aneta Kozelekova . . . . 53712 2 Radek Crha . . . . 53712 3 Tomas Brom . . . . 53712 4 Viliam Volko . . . . 53712 5 Jozef Hritz . . . . 53712 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Masaryk University - Central European Institute of Technology, National Centre for Biomolecular Research' . 53712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 672 53712 '15N chemical shifts' 223 53712 '1H chemical shifts' 223 53712 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 . . 2026-07-21 . original BMRB . 53712 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53712 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42413672 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and interaction analysis of monomeric 14-3-3z phosphorylated at Ser58 by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Biol. Macromol.' _Citation.Journal_name_full 'International journal of biological macromolecules' _Citation.Journal_volume 375 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-0003 _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 153383 _Citation.Page_last 153383 _Citation.Year 2026 _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 Aneta Kozelekova . . . . 53712 1 2 Radek Crha . . . . 53712 1 3 Vojtech Varecka . . . . 53712 1 4 Tomas Brom . . . . 53712 1 5 Viliam Volko . . . . 53712 1 6 Ondrej Kuty . . . . 53712 1 7 Jozef Hritz . . . . 53712 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53712 _Assembly.ID 1 _Assembly.Name '14-3-3zeta monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 'monomeric 14-3-3zeta L12E pS58 G234C E241C' 1 $entity_1 . . yes native no no . . . 53712 1 2 'monomeric 14-3-3zeta L12E M78K' 2 $entity_2 . . yes native no no . . . 53712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SVDMDKNELVQKAKEAEQAE RYDDMAAAMKSVTEQGAELS NEERNLLSVAYKNVVGARRS XWRVVSSIEQKTEGAEKKQQ MAREYREKIETELRDICNDV LSLLEKFLIPNASQAESKVF YLKMKGDYYRYLAEVAAGDD KKGIVDQSQQAYQEAFEISK KEMQPTHPIRLGLALNFSVF YYEILNSPEKAASLAKTAFD EAIAELDTLSEESYKDSTLI MQLLRDNLTLWTSDTQXDEA EAGXGGEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The provided sequence contains three extra amino acids at the N-terminus (SVD, numbered -3, -2, and -1) that are leftovers from purification. ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'L12E, C25A, C189A, G234C, E241C' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein is fully phosphorylated at S58. For the NMR experiment, the protein contained two 5-MSL paramagnetic spin labels attached at positions C234 and C241 (simultaneously). ; _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 -3 SER . 53712 1 2 -2 VAL . 53712 1 3 -1 ASP . 53712 1 4 1 MET . 53712 1 5 2 ASP . 53712 1 6 3 LYS . 53712 1 7 4 ASN . 53712 1 8 5 GLU . 53712 1 9 6 LEU . 53712 1 10 7 VAL . 53712 1 11 8 GLN . 53712 1 12 9 LYS . 53712 1 13 10 ALA . 53712 1 14 11 LYS . 53712 1 15 12 GLU . 53712 1 16 13 ALA . 53712 1 17 14 GLU . 53712 1 18 15 GLN . 53712 1 19 16 ALA . 53712 1 20 17 GLU . 53712 1 21 18 ARG . 53712 1 22 19 TYR . 53712 1 23 20 ASP . 53712 1 24 21 ASP . 53712 1 25 22 MET . 53712 1 26 23 ALA . 53712 1 27 24 ALA . 53712 1 28 25 ALA . 53712 1 29 26 MET . 53712 1 30 27 LYS . 53712 1 31 28 SER . 53712 1 32 29 VAL . 53712 1 33 30 THR . 53712 1 34 31 GLU . 53712 1 35 32 GLN . 53712 1 36 33 GLY . 53712 1 37 34 ALA . 53712 1 38 35 GLU . 53712 1 39 36 LEU . 53712 1 40 37 SER . 53712 1 41 38 ASN . 53712 1 42 39 GLU . 53712 1 43 40 GLU . 53712 1 44 41 ARG . 53712 1 45 42 ASN . 53712 1 46 43 LEU . 53712 1 47 44 LEU . 53712 1 48 45 SER . 53712 1 49 46 VAL . 53712 1 50 47 ALA . 53712 1 51 48 TYR . 53712 1 52 49 LYS . 53712 1 53 50 ASN . 53712 1 54 51 VAL . 53712 1 55 52 VAL . 53712 1 56 53 GLY . 53712 1 57 54 ALA . 53712 1 58 55 ARG . 53712 1 59 56 ARG . 53712 1 60 57 SER . 53712 1 61 58 SEP . 53712 1 62 59 TRP . 53712 1 63 60 ARG . 53712 1 64 61 VAL . 53712 1 65 62 VAL . 53712 1 66 63 SER . 53712 1 67 64 SER . 53712 1 68 65 ILE . 53712 1 69 66 GLU . 53712 1 70 67 GLN . 53712 1 71 68 LYS . 53712 1 72 69 THR . 53712 1 73 70 GLU . 53712 1 74 71 GLY . 53712 1 75 72 ALA . 53712 1 76 73 GLU . 53712 1 77 74 LYS . 53712 1 78 75 LYS . 53712 1 79 76 GLN . 53712 1 80 77 GLN . 53712 1 81 78 MET . 53712 1 82 79 ALA . 53712 1 83 80 ARG . 53712 1 84 81 GLU . 53712 1 85 82 TYR . 53712 1 86 83 ARG . 53712 1 87 84 GLU . 53712 1 88 85 LYS . 53712 1 89 86 ILE . 53712 1 90 87 GLU . 53712 1 91 88 THR . 53712 1 92 89 GLU . 53712 1 93 90 LEU . 53712 1 94 91 ARG . 53712 1 95 92 ASP . 53712 1 96 93 ILE . 53712 1 97 94 CYS . 53712 1 98 95 ASN . 53712 1 99 96 ASP . 53712 1 100 97 VAL . 53712 1 101 98 LEU . 53712 1 102 99 SER . 53712 1 103 100 LEU . 53712 1 104 101 LEU . 53712 1 105 102 GLU . 53712 1 106 103 LYS . 53712 1 107 104 PHE . 53712 1 108 105 LEU . 53712 1 109 106 ILE . 53712 1 110 107 PRO . 53712 1 111 108 ASN . 53712 1 112 109 ALA . 53712 1 113 110 SER . 53712 1 114 111 GLN . 53712 1 115 112 ALA . 53712 1 116 113 GLU . 53712 1 117 114 SER . 53712 1 118 115 LYS . 53712 1 119 116 VAL . 53712 1 120 117 PHE . 53712 1 121 118 TYR . 53712 1 122 119 LEU . 53712 1 123 120 LYS . 53712 1 124 121 MET . 53712 1 125 122 LYS . 53712 1 126 123 GLY . 53712 1 127 124 ASP . 53712 1 128 125 TYR . 53712 1 129 126 TYR . 53712 1 130 127 ARG . 53712 1 131 128 TYR . 53712 1 132 129 LEU . 53712 1 133 130 ALA . 53712 1 134 131 GLU . 53712 1 135 132 VAL . 53712 1 136 133 ALA . 53712 1 137 134 ALA . 53712 1 138 135 GLY . 53712 1 139 136 ASP . 53712 1 140 137 ASP . 53712 1 141 138 LYS . 53712 1 142 139 LYS . 53712 1 143 140 GLY . 53712 1 144 141 ILE . 53712 1 145 142 VAL . 53712 1 146 143 ASP . 53712 1 147 144 GLN . 53712 1 148 145 SER . 53712 1 149 146 GLN . 53712 1 150 147 GLN . 53712 1 151 148 ALA . 53712 1 152 149 TYR . 53712 1 153 150 GLN . 53712 1 154 151 GLU . 53712 1 155 152 ALA . 53712 1 156 153 PHE . 53712 1 157 154 GLU . 53712 1 158 155 ILE . 53712 1 159 156 SER . 53712 1 160 157 LYS . 53712 1 161 158 LYS . 53712 1 162 159 GLU . 53712 1 163 160 MET . 53712 1 164 161 GLN . 53712 1 165 162 PRO . 53712 1 166 163 THR . 53712 1 167 164 HIS . 53712 1 168 165 PRO . 53712 1 169 166 ILE . 53712 1 170 167 ARG . 53712 1 171 168 LEU . 53712 1 172 169 GLY . 53712 1 173 170 LEU . 53712 1 174 171 ALA . 53712 1 175 172 LEU . 53712 1 176 173 ASN . 53712 1 177 174 PHE . 53712 1 178 175 SER . 53712 1 179 176 VAL . 53712 1 180 177 PHE . 53712 1 181 178 TYR . 53712 1 182 179 TYR . 53712 1 183 180 GLU . 53712 1 184 181 ILE . 53712 1 185 182 LEU . 53712 1 186 183 ASN . 53712 1 187 184 SER . 53712 1 188 185 PRO . 53712 1 189 186 GLU . 53712 1 190 187 LYS . 53712 1 191 188 ALA . 53712 1 192 189 ALA . 53712 1 193 190 SER . 53712 1 194 191 LEU . 53712 1 195 192 ALA . 53712 1 196 193 LYS . 53712 1 197 194 THR . 53712 1 198 195 ALA . 53712 1 199 196 PHE . 53712 1 200 197 ASP . 53712 1 201 198 GLU . 53712 1 202 199 ALA . 53712 1 203 200 ILE . 53712 1 204 201 ALA . 53712 1 205 202 GLU . 53712 1 206 203 LEU . 53712 1 207 204 ASP . 53712 1 208 205 THR . 53712 1 209 206 LEU . 53712 1 210 207 SER . 53712 1 211 208 GLU . 53712 1 212 209 GLU . 53712 1 213 210 SER . 53712 1 214 211 TYR . 53712 1 215 212 LYS . 53712 1 216 213 ASP . 53712 1 217 214 SER . 53712 1 218 215 THR . 53712 1 219 216 LEU . 53712 1 220 217 ILE . 53712 1 221 218 MET . 53712 1 222 219 GLN . 53712 1 223 220 LEU . 53712 1 224 221 LEU . 53712 1 225 222 ARG . 53712 1 226 223 ASP . 53712 1 227 224 ASN . 53712 1 228 225 LEU . 53712 1 229 226 THR . 53712 1 230 227 LEU . 53712 1 231 228 TRP . 53712 1 232 229 THR . 53712 1 233 230 SER . 53712 1 234 231 ASP . 53712 1 235 232 THR . 53712 1 236 233 GLN . 53712 1 237 234 X . 53712 1 238 235 ASP . 53712 1 239 236 GLU . 53712 1 240 237 ALA . 53712 1 241 238 GLU . 53712 1 242 239 ALA . 53712 1 243 240 GLY . 53712 1 244 241 X . 53712 1 245 242 GLY . 53712 1 246 243 GLY . 53712 1 247 244 GLU . 53712 1 248 245 ASN . 53712 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 . SER 1 1 53712 1 . VAL 2 2 53712 1 . ASP 3 3 53712 1 . MET 4 4 53712 1 . ASP 5 5 53712 1 . LYS 6 6 53712 1 . ASN 7 7 53712 1 . GLU 8 8 53712 1 . LEU 9 9 53712 1 . VAL 10 10 53712 1 . GLN 11 11 53712 1 . LYS 12 12 53712 1 . ALA 13 13 53712 1 . LYS 14 14 53712 1 . GLU 15 15 53712 1 . ALA 16 16 53712 1 . GLU 17 17 53712 1 . GLN 18 18 53712 1 . ALA 19 19 53712 1 . GLU 20 20 53712 1 . ARG 21 21 53712 1 . TYR 22 22 53712 1 . ASP 23 23 53712 1 . ASP 24 24 53712 1 . MET 25 25 53712 1 . ALA 26 26 53712 1 . ALA 27 27 53712 1 . ALA 28 28 53712 1 . MET 29 29 53712 1 . LYS 30 30 53712 1 . SER 31 31 53712 1 . VAL 32 32 53712 1 . THR 33 33 53712 1 . GLU 34 34 53712 1 . GLN 35 35 53712 1 . GLY 36 36 53712 1 . ALA 37 37 53712 1 . GLU 38 38 53712 1 . LEU 39 39 53712 1 . SER 40 40 53712 1 . ASN 41 41 53712 1 . GLU 42 42 53712 1 . GLU 43 43 53712 1 . ARG 44 44 53712 1 . ASN 45 45 53712 1 . LEU 46 46 53712 1 . LEU 47 47 53712 1 . SER 48 48 53712 1 . VAL 49 49 53712 1 . ALA 50 50 53712 1 . TYR 51 51 53712 1 . LYS 52 52 53712 1 . ASN 53 53 53712 1 . VAL 54 54 53712 1 . VAL 55 55 53712 1 . GLY 56 56 53712 1 . ALA 57 57 53712 1 . ARG 58 58 53712 1 . ARG 59 59 53712 1 . SER 60 60 53712 1 . SEP 61 61 53712 1 . TRP 62 62 53712 1 . ARG 63 63 53712 1 . VAL 64 64 53712 1 . VAL 65 65 53712 1 . SER 66 66 53712 1 . SER 67 67 53712 1 . ILE 68 68 53712 1 . GLU 69 69 53712 1 . GLN 70 70 53712 1 . LYS 71 71 53712 1 . THR 72 72 53712 1 . GLU 73 73 53712 1 . GLY 74 74 53712 1 . ALA 75 75 53712 1 . GLU 76 76 53712 1 . LYS 77 77 53712 1 . LYS 78 78 53712 1 . GLN 79 79 53712 1 . GLN 80 80 53712 1 . MET 81 81 53712 1 . ALA 82 82 53712 1 . ARG 83 83 53712 1 . GLU 84 84 53712 1 . TYR 85 85 53712 1 . ARG 86 86 53712 1 . GLU 87 87 53712 1 . LYS 88 88 53712 1 . ILE 89 89 53712 1 . GLU 90 90 53712 1 . THR 91 91 53712 1 . GLU 92 92 53712 1 . LEU 93 93 53712 1 . ARG 94 94 53712 1 . ASP 95 95 53712 1 . ILE 96 96 53712 1 . CYS 97 97 53712 1 . ASN 98 98 53712 1 . ASP 99 99 53712 1 . VAL 100 100 53712 1 . LEU 101 101 53712 1 . SER 102 102 53712 1 . LEU 103 103 53712 1 . LEU 104 104 53712 1 . GLU 105 105 53712 1 . LYS 106 106 53712 1 . PHE 107 107 53712 1 . LEU 108 108 53712 1 . ILE 109 109 53712 1 . PRO 110 110 53712 1 . ASN 111 111 53712 1 . ALA 112 112 53712 1 . SER 113 113 53712 1 . GLN 114 114 53712 1 . ALA 115 115 53712 1 . GLU 116 116 53712 1 . SER 117 117 53712 1 . LYS 118 118 53712 1 . VAL 119 119 53712 1 . PHE 120 120 53712 1 . TYR 121 121 53712 1 . LEU 122 122 53712 1 . LYS 123 123 53712 1 . MET 124 124 53712 1 . LYS 125 125 53712 1 . GLY 126 126 53712 1 . ASP 127 127 53712 1 . TYR 128 128 53712 1 . TYR 129 129 53712 1 . ARG 130 130 53712 1 . TYR 131 131 53712 1 . LEU 132 132 53712 1 . ALA 133 133 53712 1 . GLU 134 134 53712 1 . VAL 135 135 53712 1 . ALA 136 136 53712 1 . ALA 137 137 53712 1 . GLY 138 138 53712 1 . ASP 139 139 53712 1 . ASP 140 140 53712 1 . LYS 141 141 53712 1 . LYS 142 142 53712 1 . GLY 143 143 53712 1 . ILE 144 144 53712 1 . VAL 145 145 53712 1 . ASP 146 146 53712 1 . GLN 147 147 53712 1 . SER 148 148 53712 1 . GLN 149 149 53712 1 . GLN 150 150 53712 1 . ALA 151 151 53712 1 . TYR 152 152 53712 1 . GLN 153 153 53712 1 . GLU 154 154 53712 1 . ALA 155 155 53712 1 . PHE 156 156 53712 1 . GLU 157 157 53712 1 . ILE 158 158 53712 1 . SER 159 159 53712 1 . LYS 160 160 53712 1 . LYS 161 161 53712 1 . GLU 162 162 53712 1 . MET 163 163 53712 1 . GLN 164 164 53712 1 . PRO 165 165 53712 1 . THR 166 166 53712 1 . HIS 167 167 53712 1 . PRO 168 168 53712 1 . ILE 169 169 53712 1 . ARG 170 170 53712 1 . LEU 171 171 53712 1 . GLY 172 172 53712 1 . LEU 173 173 53712 1 . ALA 174 174 53712 1 . LEU 175 175 53712 1 . ASN 176 176 53712 1 . PHE 177 177 53712 1 . SER 178 178 53712 1 . VAL 179 179 53712 1 . PHE 180 180 53712 1 . TYR 181 181 53712 1 . TYR 182 182 53712 1 . GLU 183 183 53712 1 . ILE 184 184 53712 1 . LEU 185 185 53712 1 . ASN 186 186 53712 1 . SER 187 187 53712 1 . PRO 188 188 53712 1 . GLU 189 189 53712 1 . LYS 190 190 53712 1 . ALA 191 191 53712 1 . ALA 192 192 53712 1 . SER 193 193 53712 1 . LEU 194 194 53712 1 . ALA 195 195 53712 1 . LYS 196 196 53712 1 . THR 197 197 53712 1 . ALA 198 198 53712 1 . PHE 199 199 53712 1 . ASP 200 200 53712 1 . GLU 201 201 53712 1 . ALA 202 202 53712 1 . ILE 203 203 53712 1 . ALA 204 204 53712 1 . GLU 205 205 53712 1 . LEU 206 206 53712 1 . ASP 207 207 53712 1 . THR 208 208 53712 1 . LEU 209 209 53712 1 . SER 210 210 53712 1 . GLU 211 211 53712 1 . GLU 212 212 53712 1 . SER 213 213 53712 1 . TYR 214 214 53712 1 . LYS 215 215 53712 1 . ASP 216 216 53712 1 . SER 217 217 53712 1 . THR 218 218 53712 1 . LEU 219 219 53712 1 . ILE 220 220 53712 1 . MET 221 221 53712 1 . GLN 222 222 53712 1 . LEU 223 223 53712 1 . LEU 224 224 53712 1 . ARG 225 225 53712 1 . ASP 226 226 53712 1 . ASN 227 227 53712 1 . LEU 228 228 53712 1 . THR 229 229 53712 1 . LEU 230 230 53712 1 . TRP 231 231 53712 1 . THR 232 232 53712 1 . SER 233 233 53712 1 . ASP 234 234 53712 1 . THR 235 235 53712 1 . GLN 236 236 53712 1 . X 237 237 53712 1 . ASP 238 238 53712 1 . GLU 239 239 53712 1 . ALA 240 240 53712 1 . GLU 241 241 53712 1 . ALA 242 242 53712 1 . GLY 243 243 53712 1 . X 244 244 53712 1 . GLY 245 245 53712 1 . GLY 246 246 53712 1 . GLU 247 247 53712 1 . ASN 248 248 53712 1 stop_ loop_ _Entity_comp_index_alt.Entity_comp_index_ID _Entity_comp_index_alt.Auth_seq_ID _Entity_comp_index_alt.Auth_comp_name _Entity_comp_index_alt.Comp_ID _Entity_comp_index_alt.Comp_label _Entity_comp_index_alt.Entry_ID _Entity_comp_index_alt.Entity_ID 58 58 phosphoserine SEP $chem_comp_SEP 53712 1 234 234 'CYS with attached 5-MSL paramagnetic spin label' SEP $chem_comp_SEP 53712 1 241 241 'CYS with attached 5-MSL paramagnetic spin label' SEP $chem_comp_SEP 53712 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53712 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; SVDMDKNELVQKAKEAEQAE RYDDMAAAMKSVTEQGAELS NEERNLLSVAYKNVVGARRS SWRVVSSIEQKTEGAEKKQQ KAREYREKIETELRDICNDV LSLLEKFLIPNASQAESKVF YLKMKGDYYRYLAEVAAGDD KKGIVDQSQQAYQEAFEISK KEMQPTHPIRLGLALNFSVF YYEILNSPEKAASLAKTAFD EAIAELDTLSEESYKDSTLI MQLLRDNLTLWTSDTQGDEA EAGEGGEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The provided sequence contains three extra amino acids at the N-terminus (SVD, numbered -3, -2, and -1) that are leftovers from purification. ; _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 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation 'L12E, C25A, M78K, C189A' _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 -3 SER . 53712 2 2 -2 VAL . 53712 2 3 -1 ASP . 53712 2 4 1 MET . 53712 2 5 2 ASP . 53712 2 6 3 LYS . 53712 2 7 4 ASN . 53712 2 8 5 GLU . 53712 2 9 6 LEU . 53712 2 10 7 VAL . 53712 2 11 8 GLN . 53712 2 12 9 LYS . 53712 2 13 10 ALA . 53712 2 14 11 LYS . 53712 2 15 12 GLU . 53712 2 16 13 ALA . 53712 2 17 14 GLU . 53712 2 18 15 GLN . 53712 2 19 16 ALA . 53712 2 20 17 GLU . 53712 2 21 18 ARG . 53712 2 22 19 TYR . 53712 2 23 20 ASP . 53712 2 24 21 ASP . 53712 2 25 22 MET . 53712 2 26 23 ALA . 53712 2 27 24 ALA . 53712 2 28 25 ALA . 53712 2 29 26 MET . 53712 2 30 27 LYS . 53712 2 31 28 SER . 53712 2 32 29 VAL . 53712 2 33 30 THR . 53712 2 34 31 GLU . 53712 2 35 32 GLN . 53712 2 36 33 GLY . 53712 2 37 34 ALA . 53712 2 38 35 GLU . 53712 2 39 36 LEU . 53712 2 40 37 SER . 53712 2 41 38 ASN . 53712 2 42 39 GLU . 53712 2 43 40 GLU . 53712 2 44 41 ARG . 53712 2 45 42 ASN . 53712 2 46 43 LEU . 53712 2 47 44 LEU . 53712 2 48 45 SER . 53712 2 49 46 VAL . 53712 2 50 47 ALA . 53712 2 51 48 TYR . 53712 2 52 49 LYS . 53712 2 53 50 ASN . 53712 2 54 51 VAL . 53712 2 55 52 VAL . 53712 2 56 53 GLY . 53712 2 57 54 ALA . 53712 2 58 55 ARG . 53712 2 59 56 ARG . 53712 2 60 57 SER . 53712 2 61 58 SER . 53712 2 62 59 TRP . 53712 2 63 60 ARG . 53712 2 64 61 VAL . 53712 2 65 62 VAL . 53712 2 66 63 SER . 53712 2 67 64 SER . 53712 2 68 65 ILE . 53712 2 69 66 GLU . 53712 2 70 67 GLN . 53712 2 71 68 LYS . 53712 2 72 69 THR . 53712 2 73 70 GLU . 53712 2 74 71 GLY . 53712 2 75 72 ALA . 53712 2 76 73 GLU . 53712 2 77 74 LYS . 53712 2 78 75 LYS . 53712 2 79 76 GLN . 53712 2 80 77 GLN . 53712 2 81 78 LYS . 53712 2 82 79 ALA . 53712 2 83 80 ARG . 53712 2 84 81 GLU . 53712 2 85 82 TYR . 53712 2 86 83 ARG . 53712 2 87 84 GLU . 53712 2 88 85 LYS . 53712 2 89 86 ILE . 53712 2 90 87 GLU . 53712 2 91 88 THR . 53712 2 92 89 GLU . 53712 2 93 90 LEU . 53712 2 94 91 ARG . 53712 2 95 92 ASP . 53712 2 96 93 ILE . 53712 2 97 94 CYS . 53712 2 98 95 ASN . 53712 2 99 96 ASP . 53712 2 100 97 VAL . 53712 2 101 98 LEU . 53712 2 102 99 SER . 53712 2 103 100 LEU . 53712 2 104 101 LEU . 53712 2 105 102 GLU . 53712 2 106 103 LYS . 53712 2 107 104 PHE . 53712 2 108 105 LEU . 53712 2 109 106 ILE . 53712 2 110 107 PRO . 53712 2 111 108 ASN . 53712 2 112 109 ALA . 53712 2 113 110 SER . 53712 2 114 111 GLN . 53712 2 115 112 ALA . 53712 2 116 113 GLU . 53712 2 117 114 SER . 53712 2 118 115 LYS . 53712 2 119 116 VAL . 53712 2 120 117 PHE . 53712 2 121 118 TYR . 53712 2 122 119 LEU . 53712 2 123 120 LYS . 53712 2 124 121 MET . 53712 2 125 122 LYS . 53712 2 126 123 GLY . 53712 2 127 124 ASP . 53712 2 128 125 TYR . 53712 2 129 126 TYR . 53712 2 130 127 ARG . 53712 2 131 128 TYR . 53712 2 132 129 LEU . 53712 2 133 130 ALA . 53712 2 134 131 GLU . 53712 2 135 132 VAL . 53712 2 136 133 ALA . 53712 2 137 134 ALA . 53712 2 138 135 GLY . 53712 2 139 136 ASP . 53712 2 140 137 ASP . 53712 2 141 138 LYS . 53712 2 142 139 LYS . 53712 2 143 140 GLY . 53712 2 144 141 ILE . 53712 2 145 142 VAL . 53712 2 146 143 ASP . 53712 2 147 144 GLN . 53712 2 148 145 SER . 53712 2 149 146 GLN . 53712 2 150 147 GLN . 53712 2 151 148 ALA . 53712 2 152 149 TYR . 53712 2 153 150 GLN . 53712 2 154 151 GLU . 53712 2 155 152 ALA . 53712 2 156 153 PHE . 53712 2 157 154 GLU . 53712 2 158 155 ILE . 53712 2 159 156 SER . 53712 2 160 157 LYS . 53712 2 161 158 LYS . 53712 2 162 159 GLU . 53712 2 163 160 MET . 53712 2 164 161 GLN . 53712 2 165 162 PRO . 53712 2 166 163 THR . 53712 2 167 164 HIS . 53712 2 168 165 PRO . 53712 2 169 166 ILE . 53712 2 170 167 ARG . 53712 2 171 168 LEU . 53712 2 172 169 GLY . 53712 2 173 170 LEU . 53712 2 174 171 ALA . 53712 2 175 172 LEU . 53712 2 176 173 ASN . 53712 2 177 174 PHE . 53712 2 178 175 SER . 53712 2 179 176 VAL . 53712 2 180 177 PHE . 53712 2 181 178 TYR . 53712 2 182 179 TYR . 53712 2 183 180 GLU . 53712 2 184 181 ILE . 53712 2 185 182 LEU . 53712 2 186 183 ASN . 53712 2 187 184 SER . 53712 2 188 185 PRO . 53712 2 189 186 GLU . 53712 2 190 187 LYS . 53712 2 191 188 ALA . 53712 2 192 189 ALA . 53712 2 193 190 SER . 53712 2 194 191 LEU . 53712 2 195 192 ALA . 53712 2 196 193 LYS . 53712 2 197 194 THR . 53712 2 198 195 ALA . 53712 2 199 196 PHE . 53712 2 200 197 ASP . 53712 2 201 198 GLU . 53712 2 202 199 ALA . 53712 2 203 200 ILE . 53712 2 204 201 ALA . 53712 2 205 202 GLU . 53712 2 206 203 LEU . 53712 2 207 204 ASP . 53712 2 208 205 THR . 53712 2 209 206 LEU . 53712 2 210 207 SER . 53712 2 211 208 GLU . 53712 2 212 209 GLU . 53712 2 213 210 SER . 53712 2 214 211 TYR . 53712 2 215 212 LYS . 53712 2 216 213 ASP . 53712 2 217 214 SER . 53712 2 218 215 THR . 53712 2 219 216 LEU . 53712 2 220 217 ILE . 53712 2 221 218 MET . 53712 2 222 219 GLN . 53712 2 223 220 LEU . 53712 2 224 221 LEU . 53712 2 225 222 ARG . 53712 2 226 223 ASP . 53712 2 227 224 ASN . 53712 2 228 225 LEU . 53712 2 229 226 THR . 53712 2 230 227 LEU . 53712 2 231 228 TRP . 53712 2 232 229 THR . 53712 2 233 230 SER . 53712 2 234 231 ASP . 53712 2 235 232 THR . 53712 2 236 233 GLN . 53712 2 237 234 GLY . 53712 2 238 235 ASP . 53712 2 239 236 GLU . 53712 2 240 237 ALA . 53712 2 241 238 GLU . 53712 2 242 239 ALA . 53712 2 243 240 GLY . 53712 2 244 241 GLU . 53712 2 245 242 GLY . 53712 2 246 243 GLY . 53712 2 247 244 GLU . 53712 2 248 245 ASN . 53712 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 53712 2 . VAL 2 2 53712 2 . ASP 3 3 53712 2 . MET 4 4 53712 2 . ASP 5 5 53712 2 . LYS 6 6 53712 2 . ASN 7 7 53712 2 . GLU 8 8 53712 2 . LEU 9 9 53712 2 . VAL 10 10 53712 2 . GLN 11 11 53712 2 . LYS 12 12 53712 2 . ALA 13 13 53712 2 . LYS 14 14 53712 2 . GLU 15 15 53712 2 . ALA 16 16 53712 2 . GLU 17 17 53712 2 . GLN 18 18 53712 2 . ALA 19 19 53712 2 . GLU 20 20 53712 2 . ARG 21 21 53712 2 . TYR 22 22 53712 2 . ASP 23 23 53712 2 . ASP 24 24 53712 2 . MET 25 25 53712 2 . ALA 26 26 53712 2 . ALA 27 27 53712 2 . ALA 28 28 53712 2 . MET 29 29 53712 2 . LYS 30 30 53712 2 . SER 31 31 53712 2 . VAL 32 32 53712 2 . THR 33 33 53712 2 . GLU 34 34 53712 2 . GLN 35 35 53712 2 . GLY 36 36 53712 2 . ALA 37 37 53712 2 . GLU 38 38 53712 2 . LEU 39 39 53712 2 . SER 40 40 53712 2 . ASN 41 41 53712 2 . GLU 42 42 53712 2 . GLU 43 43 53712 2 . ARG 44 44 53712 2 . ASN 45 45 53712 2 . LEU 46 46 53712 2 . LEU 47 47 53712 2 . SER 48 48 53712 2 . VAL 49 49 53712 2 . ALA 50 50 53712 2 . TYR 51 51 53712 2 . LYS 52 52 53712 2 . ASN 53 53 53712 2 . VAL 54 54 53712 2 . VAL 55 55 53712 2 . GLY 56 56 53712 2 . ALA 57 57 53712 2 . ARG 58 58 53712 2 . ARG 59 59 53712 2 . SER 60 60 53712 2 . SER 61 61 53712 2 . TRP 62 62 53712 2 . ARG 63 63 53712 2 . VAL 64 64 53712 2 . VAL 65 65 53712 2 . SER 66 66 53712 2 . SER 67 67 53712 2 . ILE 68 68 53712 2 . GLU 69 69 53712 2 . GLN 70 70 53712 2 . LYS 71 71 53712 2 . THR 72 72 53712 2 . GLU 73 73 53712 2 . GLY 74 74 53712 2 . ALA 75 75 53712 2 . GLU 76 76 53712 2 . LYS 77 77 53712 2 . LYS 78 78 53712 2 . GLN 79 79 53712 2 . GLN 80 80 53712 2 . LYS 81 81 53712 2 . ALA 82 82 53712 2 . ARG 83 83 53712 2 . GLU 84 84 53712 2 . TYR 85 85 53712 2 . ARG 86 86 53712 2 . GLU 87 87 53712 2 . LYS 88 88 53712 2 . ILE 89 89 53712 2 . GLU 90 90 53712 2 . THR 91 91 53712 2 . GLU 92 92 53712 2 . LEU 93 93 53712 2 . ARG 94 94 53712 2 . ASP 95 95 53712 2 . ILE 96 96 53712 2 . CYS 97 97 53712 2 . ASN 98 98 53712 2 . ASP 99 99 53712 2 . VAL 100 100 53712 2 . LEU 101 101 53712 2 . SER 102 102 53712 2 . LEU 103 103 53712 2 . LEU 104 104 53712 2 . GLU 105 105 53712 2 . LYS 106 106 53712 2 . PHE 107 107 53712 2 . LEU 108 108 53712 2 . ILE 109 109 53712 2 . PRO 110 110 53712 2 . ASN 111 111 53712 2 . ALA 112 112 53712 2 . SER 113 113 53712 2 . GLN 114 114 53712 2 . ALA 115 115 53712 2 . GLU 116 116 53712 2 . SER 117 117 53712 2 . LYS 118 118 53712 2 . VAL 119 119 53712 2 . PHE 120 120 53712 2 . TYR 121 121 53712 2 . LEU 122 122 53712 2 . LYS 123 123 53712 2 . MET 124 124 53712 2 . LYS 125 125 53712 2 . GLY 126 126 53712 2 . ASP 127 127 53712 2 . TYR 128 128 53712 2 . TYR 129 129 53712 2 . ARG 130 130 53712 2 . TYR 131 131 53712 2 . LEU 132 132 53712 2 . ALA 133 133 53712 2 . GLU 134 134 53712 2 . VAL 135 135 53712 2 . ALA 136 136 53712 2 . ALA 137 137 53712 2 . GLY 138 138 53712 2 . ASP 139 139 53712 2 . ASP 140 140 53712 2 . LYS 141 141 53712 2 . LYS 142 142 53712 2 . GLY 143 143 53712 2 . ILE 144 144 53712 2 . VAL 145 145 53712 2 . ASP 146 146 53712 2 . GLN 147 147 53712 2 . SER 148 148 53712 2 . GLN 149 149 53712 2 . GLN 150 150 53712 2 . ALA 151 151 53712 2 . TYR 152 152 53712 2 . GLN 153 153 53712 2 . GLU 154 154 53712 2 . ALA 155 155 53712 2 . PHE 156 156 53712 2 . GLU 157 157 53712 2 . ILE 158 158 53712 2 . SER 159 159 53712 2 . LYS 160 160 53712 2 . LYS 161 161 53712 2 . GLU 162 162 53712 2 . MET 163 163 53712 2 . GLN 164 164 53712 2 . PRO 165 165 53712 2 . THR 166 166 53712 2 . HIS 167 167 53712 2 . PRO 168 168 53712 2 . ILE 169 169 53712 2 . ARG 170 170 53712 2 . LEU 171 171 53712 2 . GLY 172 172 53712 2 . LEU 173 173 53712 2 . ALA 174 174 53712 2 . LEU 175 175 53712 2 . ASN 176 176 53712 2 . PHE 177 177 53712 2 . SER 178 178 53712 2 . VAL 179 179 53712 2 . PHE 180 180 53712 2 . TYR 181 181 53712 2 . TYR 182 182 53712 2 . GLU 183 183 53712 2 . ILE 184 184 53712 2 . LEU 185 185 53712 2 . ASN 186 186 53712 2 . SER 187 187 53712 2 . PRO 188 188 53712 2 . GLU 189 189 53712 2 . LYS 190 190 53712 2 . ALA 191 191 53712 2 . ALA 192 192 53712 2 . SER 193 193 53712 2 . LEU 194 194 53712 2 . ALA 195 195 53712 2 . LYS 196 196 53712 2 . THR 197 197 53712 2 . ALA 198 198 53712 2 . PHE 199 199 53712 2 . ASP 200 200 53712 2 . GLU 201 201 53712 2 . ALA 202 202 53712 2 . ILE 203 203 53712 2 . ALA 204 204 53712 2 . GLU 205 205 53712 2 . LEU 206 206 53712 2 . ASP 207 207 53712 2 . THR 208 208 53712 2 . LEU 209 209 53712 2 . SER 210 210 53712 2 . GLU 211 211 53712 2 . GLU 212 212 53712 2 . SER 213 213 53712 2 . TYR 214 214 53712 2 . LYS 215 215 53712 2 . ASP 216 216 53712 2 . SER 217 217 53712 2 . THR 218 218 53712 2 . LEU 219 219 53712 2 . ILE 220 220 53712 2 . MET 221 221 53712 2 . GLN 222 222 53712 2 . LEU 223 223 53712 2 . LEU 224 224 53712 2 . ARG 225 225 53712 2 . ASP 226 226 53712 2 . ASN 227 227 53712 2 . LEU 228 228 53712 2 . THR 229 229 53712 2 . LEU 230 230 53712 2 . TRP 231 231 53712 2 . THR 232 232 53712 2 . SER 233 233 53712 2 . ASP 234 234 53712 2 . THR 235 235 53712 2 . GLN 236 236 53712 2 . GLY 237 237 53712 2 . ASP 238 238 53712 2 . GLU 239 239 53712 2 . ALA 240 240 53712 2 . GLU 241 241 53712 2 . ALA 242 242 53712 2 . GLY 243 243 53712 2 . GLU 244 244 53712 2 . GLY 245 245 53712 2 . GLY 246 246 53712 2 . GLU 247 247 53712 2 . ASN 248 248 53712 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53712 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53712 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53712 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53712 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 53712 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET15b . . . 53712 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 53712 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 53712 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 53712 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53712 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 53712 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 53712 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 53712 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 53712 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 53712 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 53712 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 53712 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 53712 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 53712 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 53712 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 53712 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 53712 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 53712 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 53712 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 53712 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 53712 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 53712 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 53712 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 53712 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 53712 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 53712 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 53712 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 53712 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 53712 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 53712 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 53712 SEP 2 . SING N H N N 2 . 53712 SEP 3 . SING N H2 N N 3 . 53712 SEP 4 . SING CA CB N N 4 . 53712 SEP 5 . SING CA C N N 5 . 53712 SEP 6 . SING CA HA N N 6 . 53712 SEP 7 . SING CB OG N N 7 . 53712 SEP 8 . SING CB HB2 N N 8 . 53712 SEP 9 . SING CB HB3 N N 9 . 53712 SEP 10 . SING OG P N N 10 . 53712 SEP 11 . DOUB C O N N 11 . 53712 SEP 12 . SING C OXT N N 12 . 53712 SEP 13 . SING OXT HXT N N 13 . 53712 SEP 14 . DOUB P O1P N N 14 . 53712 SEP 15 . SING P O2P N N 15 . 53712 SEP 16 . SING P O3P N N 16 . 53712 SEP 17 . SING O2P HOP2 N N 17 . 53712 SEP 18 . SING O3P HOP3 N N 18 . 53712 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53712 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 '14-3-3zeta L12E pS58 G234C E241C + two 5-MSL spin labels' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 53712 1 2 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 53712 1 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 53712 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53712 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53712 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53712 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53712 _Sample.ID 2 _Sample.Name sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 '14-3-3zeta L12E M78K' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.4 . . mM . . . . 53712 2 2 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 53712 2 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 53712 2 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53712 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53712 2 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 53712 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_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' 0.15 . M 53712 1 pH 6.5 . pH 53712 1 pressure 1 . atm 53712 1 temperature 303 . K 53712 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53712 _Sample_condition_list.ID 2 _Sample_condition_list.Name sample_conditions_2 _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' 0.15 . M 53712 2 pH 6.5 . pH 53712 2 pressure 1 . atm 53712 2 temperature 308 . K 53712 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53712 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53712 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53712 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53712 2 'data analysis' . 53712 2 'peak picking' . 53712 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53712 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version 12.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53712 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO 950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53712 _Experiment_list.ID 1 _Experiment_list.Details ; The chemical shift assignment for full-lenght monomeric 14-3-3zeta protein was obtained by a combination of two NMR datasets. The structured part of 14-3-3zeta protein was assigned using sample_1 (14-3-3zeta L12E pS58 G234C E241C + two 5-MSL spin labels), while the flexible C-terminus was assigned using sample_2 (14-3-3zeta L12E M78K). ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 2 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 3 '3D HN(CO)CA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 4 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 5 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 6 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 7 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 8 '2D 1H-15N TROSY' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 9 '3D HNCA' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 10 '3D HN(CO)CA' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 11 '3D HNCACB' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 12 '3D CBCA(CO)NH' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53712 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53712 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_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 H 1 water protons . . . . ppm 4.7408 internal direct 1 . . . . . 53712 1 N 15 na na . . . . ppm 116.52 na indirect . . . . . . 53712 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 53712 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name chem_shift_reference_2 _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 H 1 water protons . . . . ppm 4.6813 internal direct 1 . . . . . 53712 2 N 15 na na . . . . ppm 116.48 na indirect . . . . . . 53712 2 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_residues(-2-229) _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 TROSY' . . . 53712 1 2 '3D HNCA' . . . 53712 1 3 '3D HN(CO)CA' . . . 53712 1 4 '3D HNCACB' . . . 53712 1 5 '3D CBCA(CO)NH' . . . 53712 1 6 '3D HNCO' . . . 53712 1 7 '3D HN(CA)CO' . . . 53712 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53712 1 2 $software_2 . . 53712 1 3 $software_3 . . 53712 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 VAL C C 13 175.537 . . 1 . . . . . -2 V C . 53712 1 2 . 1 . 1 2 2 VAL CA C 13 62.566 . . 1 . . . . . -2 V CA . 53712 1 3 . 1 . 1 2 2 VAL CB C 13 32.633 . . 1 . . . . . -2 V CB . 53712 1 4 . 1 . 1 3 3 ASP H H 1 8.302 . . 1 . . . . . -1 D H . 53712 1 5 . 1 . 1 3 3 ASP C C 13 175.956 . . 1 . . . . . -1 D C . 53712 1 6 . 1 . 1 3 3 ASP CA C 13 54.585 . . 1 . . . . . -1 D CA . 53712 1 7 . 1 . 1 3 3 ASP CB C 13 40.953 . . 1 . . . . . -1 D CB . 53712 1 8 . 1 . 1 3 3 ASP N N 15 123.307 . . 1 . . . . . -1 D N . 53712 1 9 . 1 . 1 4 4 MET H H 1 7.931 . . 1 . . . . . 1 M H . 53712 1 10 . 1 . 1 4 4 MET C C 13 175.390 . . 1 . . . . . 1 M C . 53712 1 11 . 1 . 1 4 4 MET CA C 13 55.669 . . 1 . . . . . 1 M CA . 53712 1 12 . 1 . 1 4 4 MET CB C 13 33.999 . . 1 . . . . . 1 M CB . 53712 1 13 . 1 . 1 4 4 MET N N 15 120.602 . . 1 . . . . . 1 M N . 53712 1 14 . 1 . 1 5 5 ASP H H 1 8.372 . . 1 . . . . . 2 D H . 53712 1 15 . 1 . 1 5 5 ASP C C 13 176.966 . . 1 . . . . . 2 D C . 53712 1 16 . 1 . 1 5 5 ASP CA C 13 54.149 . . 1 . . . . . 2 D CA . 53712 1 17 . 1 . 1 5 5 ASP CB C 13 41.736 . . 1 . . . . . 2 D CB . 53712 1 18 . 1 . 1 5 5 ASP N N 15 122.188 . . 1 . . . . . 2 D N . 53712 1 19 . 1 . 1 6 6 LYS H H 1 8.594 . . 1 . . . . . 3 K H . 53712 1 20 . 1 . 1 6 6 LYS C C 13 177.397 . . 1 . . . . . 3 K C . 53712 1 21 . 1 . 1 6 6 LYS CA C 13 60.095 . . 1 . . . . . 3 K CA . 53712 1 22 . 1 . 1 6 6 LYS CB C 13 31.808 . . 1 . . . . . 3 K CB . 53712 1 23 . 1 . 1 6 6 LYS N N 15 123.321 . . 1 . . . . . 3 K N . 53712 1 24 . 1 . 1 7 7 ASN H H 1 8.292 . . 1 . . . . . 4 N H . 53712 1 25 . 1 . 1 7 7 ASN C C 13 178.228 . . 1 . . . . . 4 N C . 53712 1 26 . 1 . 1 7 7 ASN CA C 13 56.249 . . 1 . . . . . 4 N CA . 53712 1 27 . 1 . 1 7 7 ASN CB C 13 37.903 . . 1 . . . . . 4 N CB . 53712 1 28 . 1 . 1 7 7 ASN N N 15 116.584 . . 1 . . . . . 4 N N . 53712 1 29 . 1 . 1 8 8 GLU H H 1 7.972 . . 1 . . . . . 5 E H . 53712 1 30 . 1 . 1 8 8 GLU C C 13 179.071 . . 1 . . . . . 5 E C . 53712 1 31 . 1 . 1 8 8 GLU CA C 13 59.196 . . 1 . . . . . 5 E CA . 53712 1 32 . 1 . 1 8 8 GLU CB C 13 29.538 . . 1 . . . . . 5 E CB . 53712 1 33 . 1 . 1 8 8 GLU N N 15 121.448 . . 1 . . . . . 5 E N . 53712 1 34 . 1 . 1 9 9 LEU H H 1 7.752 . . 1 . . . . . 6 L H . 53712 1 35 . 1 . 1 9 9 LEU C C 13 178.753 . . 1 . . . . . 6 L C . 53712 1 36 . 1 . 1 9 9 LEU CA C 13 58.048 . . 1 . . . . . 6 L CA . 53712 1 37 . 1 . 1 9 9 LEU CB C 13 42.848 . . 1 . . . . . 6 L CB . 53712 1 38 . 1 . 1 9 9 LEU N N 15 120.853 . . 1 . . . . . 6 L N . 53712 1 39 . 1 . 1 10 10 VAL H H 1 8.162 . . 1 . . . . . 7 V H . 53712 1 40 . 1 . 1 10 10 VAL C C 13 178.010 . . 1 . . . . . 7 V C . 53712 1 41 . 1 . 1 10 10 VAL CA C 13 67.130 . . 1 . . . . . 7 V CA . 53712 1 42 . 1 . 1 10 10 VAL CB C 13 31.779 . . 1 . . . . . 7 V CB . 53712 1 43 . 1 . 1 10 10 VAL N N 15 119.701 . . 1 . . . . . 7 V N . 53712 1 44 . 1 . 1 11 11 GLN H H 1 7.732 . . 1 . . . . . 8 Q H . 53712 1 45 . 1 . 1 11 11 GLN C C 13 178.857 . . 1 . . . . . 8 Q C . 53712 1 46 . 1 . 1 11 11 GLN CA C 13 59.084 . . 1 . . . . . 8 Q CA . 53712 1 47 . 1 . 1 11 11 GLN CB C 13 27.379 . . 1 . . . . . 8 Q CB . 53712 1 48 . 1 . 1 11 11 GLN N N 15 119.279 . . 1 . . . . . 8 Q N . 53712 1 49 . 1 . 1 12 12 LYS H H 1 8.060 . . 1 . . . . . 9 K H . 53712 1 50 . 1 . 1 12 12 LYS C C 13 180.086 . . 1 . . . . . 9 K C . 53712 1 51 . 1 . 1 12 12 LYS CA C 13 59.167 . . 1 . . . . . 9 K CA . 53712 1 52 . 1 . 1 12 12 LYS CB C 13 31.735 . . 1 . . . . . 9 K CB . 53712 1 53 . 1 . 1 12 12 LYS N N 15 119.899 . . 1 . . . . . 9 K N . 53712 1 54 . 1 . 1 13 13 ALA H H 1 8.465 . . 1 . . . . . 10 A H . 53712 1 55 . 1 . 1 13 13 ALA C C 13 179.263 . . 1 . . . . . 10 A C . 53712 1 56 . 1 . 1 13 13 ALA CA C 13 55.790 . . 1 . . . . . 10 A CA . 53712 1 57 . 1 . 1 13 13 ALA CB C 13 18.785 . . 1 . . . . . 10 A CB . 53712 1 58 . 1 . 1 13 13 ALA N N 15 123.991 . . 1 . . . . . 10 A N . 53712 1 59 . 1 . 1 14 14 LYS H H 1 8.335 . . 1 . . . . . 11 K H . 53712 1 60 . 1 . 1 14 14 LYS C C 13 180.183 . . 1 . . . . . 11 K C . 53712 1 61 . 1 . 1 14 14 LYS CA C 13 60.055 . . 1 . . . . . 11 K CA . 53712 1 62 . 1 . 1 14 14 LYS CB C 13 32.193 . . 1 . . . . . 11 K CB . 53712 1 63 . 1 . 1 14 14 LYS N N 15 118.953 . . 1 . . . . . 11 K N . 53712 1 64 . 1 . 1 15 15 GLU C C 13 179.495 . . 1 . . . . . 12 E C . 53712 1 65 . 1 . 1 15 15 GLU CA C 13 59.214 . . 1 . . . . . 12 E CA . 53712 1 66 . 1 . 1 15 15 GLU CB C 13 29.497 . . 1 . . . . . 12 E CB . 53712 1 67 . 1 . 1 16 16 ALA H H 1 8.194 . . 1 . . . . . 13 A H . 53712 1 68 . 1 . 1 16 16 ALA C C 13 179.397 . . 1 . . . . . 13 A C . 53712 1 69 . 1 . 1 16 16 ALA CA C 13 55.071 . . 1 . . . . . 13 A CA . 53712 1 70 . 1 . 1 16 16 ALA CB C 13 17.338 . . 1 . . . . . 13 A CB . 53712 1 71 . 1 . 1 16 16 ALA N N 15 123.091 . . 1 . . . . . 13 A N . 53712 1 72 . 1 . 1 17 17 GLU H H 1 8.286 . . 1 . . . . . 14 E H . 53712 1 73 . 1 . 1 17 17 GLU C C 13 180.452 . . 1 . . . . . 14 E C . 53712 1 74 . 1 . 1 17 17 GLU CA C 13 60.236 . . 1 . . . . . 14 E CA . 53712 1 75 . 1 . 1 17 17 GLU N N 15 120.464 . . 1 . . . . . 14 E N . 53712 1 76 . 1 . 1 18 18 GLN H H 1 7.498 . . 1 . . . . . 15 Q H . 53712 1 77 . 1 . 1 18 18 GLN C C 13 176.675 . . 1 . . . . . 15 Q C . 53712 1 78 . 1 . 1 18 18 GLN CA C 13 58.279 . . 1 . . . . . 15 Q CA . 53712 1 79 . 1 . 1 18 18 GLN CB C 13 28.295 . . 1 . . . . . 15 Q CB . 53712 1 80 . 1 . 1 18 18 GLN N N 15 118.306 . . 1 . . . . . 15 Q N . 53712 1 81 . 1 . 1 19 19 ALA H H 1 7.188 . . 1 . . . . . 16 A H . 53712 1 82 . 1 . 1 19 19 ALA C C 13 175.292 . . 1 . . . . . 16 A C . 53712 1 83 . 1 . 1 19 19 ALA CA C 13 51.380 . . 1 . . . . . 16 A CA . 53712 1 84 . 1 . 1 19 19 ALA CB C 13 19.406 . . 1 . . . . . 16 A CB . 53712 1 85 . 1 . 1 19 19 ALA N N 15 118.942 . . 1 . . . . . 16 A N . 53712 1 86 . 1 . 1 20 20 GLU H H 1 7.574 . . 1 . . . . . 17 E H . 53712 1 87 . 1 . 1 20 20 GLU C C 13 175.061 . . 1 . . . . . 17 E C . 53712 1 88 . 1 . 1 20 20 GLU CA C 13 57.419 . . 1 . . . . . 17 E CA . 53712 1 89 . 1 . 1 20 20 GLU CB C 13 26.569 . . 1 . . . . . 17 E CB . 53712 1 90 . 1 . 1 20 20 GLU N N 15 114.031 . . 1 . . . . . 17 E N . 53712 1 91 . 1 . 1 21 21 ARG H H 1 8.040 . . 1 . . . . . 18 R H . 53712 1 92 . 1 . 1 21 21 ARG C C 13 177.575 . . 1 . . . . . 18 R C . 53712 1 93 . 1 . 1 21 21 ARG CA C 13 53.947 . . 1 . . . . . 18 R CA . 53712 1 94 . 1 . 1 21 21 ARG CB C 13 29.022 . . 1 . . . . . 18 R CB . 53712 1 95 . 1 . 1 21 21 ARG N N 15 120.586 . . 1 . . . . . 18 R N . 53712 1 96 . 1 . 1 22 22 TYR H H 1 7.297 . . 1 . . . . . 19 Y H . 53712 1 97 . 1 . 1 22 22 TYR C C 13 176.700 . . 1 . . . . . 19 Y C . 53712 1 98 . 1 . 1 22 22 TYR CA C 13 62.648 . . 1 . . . . . 19 Y CA . 53712 1 99 . 1 . 1 22 22 TYR CB C 13 36.828 . . 1 . . . . . 19 Y CB . 53712 1 100 . 1 . 1 22 22 TYR N N 15 119.604 . . 1 . . . . . 19 Y N . 53712 1 101 . 1 . 1 23 23 ASP H H 1 8.437 . . 1 . . . . . 20 D H . 53712 1 102 . 1 . 1 23 23 ASP C C 13 179.389 . . 1 . . . . . 20 D C . 53712 1 103 . 1 . 1 23 23 ASP CA C 13 57.620 . . 1 . . . . . 20 D CA . 53712 1 104 . 1 . 1 23 23 ASP CB C 13 38.985 . . 1 . . . . . 20 D CB . 53712 1 105 . 1 . 1 23 23 ASP N N 15 119.370 . . 1 . . . . . 20 D N . 53712 1 106 . 1 . 1 24 24 ASP H H 1 7.659 . . 1 . . . . . 21 D H . 53712 1 107 . 1 . 1 24 24 ASP C C 13 178.691 . . 1 . . . . . 21 D C . 53712 1 108 . 1 . 1 24 24 ASP CA C 13 56.823 . . 1 . . . . . 21 D CA . 53712 1 109 . 1 . 1 24 24 ASP CB C 13 39.967 . . 1 . . . . . 21 D CB . 53712 1 110 . 1 . 1 24 24 ASP N N 15 122.175 . . 1 . . . . . 21 D N . 53712 1 111 . 1 . 1 25 25 MET C C 13 176.903 . . 1 . . . . . 22 M C . 53712 1 112 . 1 . 1 25 25 MET CA C 13 60.033 . . 1 . . . . . 22 M CA . 53712 1 113 . 1 . 1 26 26 ALA H H 1 8.410 . . 1 . . . . . 23 A H . 53712 1 114 . 1 . 1 26 26 ALA C C 13 177.751 . . 1 . . . . . 23 A C . 53712 1 115 . 1 . 1 26 26 ALA CA C 13 55.417 . . 1 . . . . . 23 A CA . 53712 1 116 . 1 . 1 26 26 ALA CB C 13 16.207 . . 1 . . . . . 23 A CB . 53712 1 117 . 1 . 1 26 26 ALA N N 15 121.457 . . 1 . . . . . 23 A N . 53712 1 118 . 1 . 1 27 27 ALA H H 1 7.567 . . 1 . . . . . 24 A H . 53712 1 119 . 1 . 1 27 27 ALA C C 13 180.977 . . 1 . . . . . 24 A C . 53712 1 120 . 1 . 1 27 27 ALA CA C 13 55.113 . . 1 . . . . . 24 A CA . 53712 1 121 . 1 . 1 27 27 ALA CB C 13 17.887 . . 1 . . . . . 24 A CB . 53712 1 122 . 1 . 1 27 27 ALA N N 15 119.059 . . 1 . . . . . 24 A N . 53712 1 123 . 1 . 1 28 28 ALA H H 1 7.572 . . 1 . . . . . 25 A H . 53712 1 124 . 1 . 1 28 28 ALA C C 13 179.320 . . 1 . . . . . 25 A C . 53712 1 125 . 1 . 1 28 28 ALA CA C 13 55.188 . . 1 . . . . . 25 A CA . 53712 1 126 . 1 . 1 28 28 ALA CB C 13 17.224 . . 1 . . . . . 25 A CB . 53712 1 127 . 1 . 1 28 28 ALA N N 15 120.232 . . 1 . . . . . 25 A N . 53712 1 128 . 1 . 1 29 29 MET C C 13 180.578 . . 1 . . . . . 26 M C . 53712 1 129 . 1 . 1 29 29 MET CA C 13 54.758 . . 1 . . . . . 26 M CA . 53712 1 130 . 1 . 1 29 29 MET CB C 13 31.809 . . 1 . . . . . 26 M CB . 53712 1 131 . 1 . 1 30 30 LYS H H 1 9.371 . . 1 . . . . . 27 K H . 53712 1 132 . 1 . 1 30 30 LYS C C 13 177.706 . . 1 . . . . . 27 K C . 53712 1 133 . 1 . 1 30 30 LYS CA C 13 60.593 . . 1 . . . . . 27 K CA . 53712 1 134 . 1 . 1 30 30 LYS CB C 13 31.687 . . 1 . . . . . 27 K CB . 53712 1 135 . 1 . 1 30 30 LYS N N 15 127.853 . . 1 . . . . . 27 K N . 53712 1 136 . 1 . 1 31 31 SER H H 1 7.640 . . 1 . . . . . 28 S H . 53712 1 137 . 1 . 1 31 31 SER C C 13 177.160 . . 1 . . . . . 28 S C . 53712 1 138 . 1 . 1 31 31 SER CA C 13 62.552 . . 1 . . . . . 28 S CA . 53712 1 139 . 1 . 1 31 31 SER CB C 13 63.157 . . 1 . . . . . 28 S CB . 53712 1 140 . 1 . 1 31 31 SER N N 15 115.055 . . 1 . . . . . 28 S N . 53712 1 141 . 1 . 1 32 32 VAL H H 1 7.979 . . 1 . . . . . 29 V H . 53712 1 142 . 1 . 1 32 32 VAL C C 13 178.675 . . 1 . . . . . 29 V C . 53712 1 143 . 1 . 1 32 32 VAL CA C 13 67.114 . . 1 . . . . . 29 V CA . 53712 1 144 . 1 . 1 32 32 VAL CB C 13 32.186 . . 1 . . . . . 29 V CB . 53712 1 145 . 1 . 1 32 32 VAL N N 15 120.561 . . 1 . . . . . 29 V N . 53712 1 146 . 1 . 1 33 33 THR H H 1 7.990 . . 1 . . . . . 30 T H . 53712 1 147 . 1 . 1 33 33 THR C C 13 176.369 . . 1 . . . . . 30 T C . 53712 1 148 . 1 . 1 33 33 THR CA C 13 67.816 . . 1 . . . . . 30 T CA . 53712 1 149 . 1 . 1 33 33 THR N N 15 118.998 . . 1 . . . . . 30 T N . 53712 1 150 . 1 . 1 34 34 GLU H H 1 7.858 . . 1 . . . . . 31 E H . 53712 1 151 . 1 . 1 34 34 GLU C C 13 176.483 . . 1 . . . . . 31 E C . 53712 1 152 . 1 . 1 34 34 GLU CA C 13 57.384 . . 1 . . . . . 31 E CA . 53712 1 153 . 1 . 1 34 34 GLU CB C 13 29.295 . . 1 . . . . . 31 E CB . 53712 1 154 . 1 . 1 34 34 GLU N N 15 118.386 . . 1 . . . . . 31 E N . 53712 1 155 . 1 . 1 35 35 GLN H H 1 7.174 . . 1 . . . . . 32 Q H . 53712 1 156 . 1 . 1 35 35 GLN C C 13 178.611 . . 1 . . . . . 32 Q C . 53712 1 157 . 1 . 1 35 35 GLN CA C 13 57.428 . . 1 . . . . . 32 Q CA . 53712 1 158 . 1 . 1 35 35 GLN CB C 13 27.622 . . 1 . . . . . 32 Q CB . 53712 1 159 . 1 . 1 35 35 GLN N N 15 116.678 . . 1 . . . . . 32 Q N . 53712 1 160 . 1 . 1 36 36 GLY H H 1 7.524 . . 1 . . . . . 33 G H . 53712 1 161 . 1 . 1 36 36 GLY C C 13 173.305 . . 1 . . . . . 33 G C . 53712 1 162 . 1 . 1 36 36 GLY CA C 13 46.407 . . 1 . . . . . 33 G CA . 53712 1 163 . 1 . 1 36 36 GLY N N 15 104.217 . . 1 . . . . . 33 G N . 53712 1 164 . 1 . 1 37 37 ALA H H 1 7.549 . . 1 . . . . . 34 A H . 53712 1 165 . 1 . 1 37 37 ALA C C 13 177.499 . . 1 . . . . . 34 A C . 53712 1 166 . 1 . 1 37 37 ALA CA C 13 50.793 . . 1 . . . . . 34 A CA . 53712 1 167 . 1 . 1 37 37 ALA CB C 13 20.066 . . 1 . . . . . 34 A CB . 53712 1 168 . 1 . 1 37 37 ALA N N 15 122.399 . . 1 . . . . . 34 A N . 53712 1 169 . 1 . 1 38 38 GLU H H 1 8.484 . . 1 . . . . . 35 E H . 53712 1 170 . 1 . 1 38 38 GLU C C 13 176.643 . . 1 . . . . . 35 E C . 53712 1 171 . 1 . 1 38 38 GLU CA C 13 57.317 . . 1 . . . . . 35 E CA . 53712 1 172 . 1 . 1 38 38 GLU CB C 13 30.131 . . 1 . . . . . 35 E CB . 53712 1 173 . 1 . 1 38 38 GLU N N 15 121.859 . . 1 . . . . . 35 E N . 53712 1 174 . 1 . 1 39 39 LEU H H 1 8.382 . . 1 . . . . . 36 L H . 53712 1 175 . 1 . 1 39 39 LEU C C 13 178.608 . . 1 . . . . . 36 L C . 53712 1 176 . 1 . 1 39 39 LEU CA C 13 54.485 . . 1 . . . . . 36 L CA . 53712 1 177 . 1 . 1 39 39 LEU CB C 13 41.483 . . 1 . . . . . 36 L CB . 53712 1 178 . 1 . 1 39 39 LEU N N 15 125.500 . . 1 . . . . . 36 L N . 53712 1 179 . 1 . 1 40 40 SER H H 1 9.145 . . 1 . . . . . 37 S H . 53712 1 180 . 1 . 1 40 40 SER C C 13 178.261 . . 1 . . . . . 37 S C . 53712 1 181 . 1 . 1 40 40 SER CA C 13 56.959 . . 1 . . . . . 37 S CA . 53712 1 182 . 1 . 1 40 40 SER CB C 13 65.242 . . 1 . . . . . 37 S CB . 53712 1 183 . 1 . 1 40 40 SER N N 15 120.437 . . 1 . . . . . 37 S N . 53712 1 184 . 1 . 1 41 41 ASN C C 13 177.385 . . 1 . . . . . 38 N C . 53712 1 185 . 1 . 1 41 41 ASN CA C 13 57.166 . . 1 . . . . . 38 N CA . 53712 1 186 . 1 . 1 41 41 ASN CB C 13 37.414 . . 1 . . . . . 38 N CB . 53712 1 187 . 1 . 1 42 42 GLU H H 1 8.388 . . 1 . . . . . 39 E H . 53712 1 188 . 1 . 1 42 42 GLU C C 13 179.016 . . 1 . . . . . 39 E C . 53712 1 189 . 1 . 1 42 42 GLU CA C 13 59.496 . . 1 . . . . . 39 E CA . 53712 1 190 . 1 . 1 42 42 GLU CB C 13 29.831 . . 1 . . . . . 39 E CB . 53712 1 191 . 1 . 1 42 42 GLU N N 15 119.407 . . 1 . . . . . 39 E N . 53712 1 192 . 1 . 1 43 43 GLU H H 1 7.676 . . 1 . . . . . 40 E H . 53712 1 193 . 1 . 1 43 43 GLU C C 13 177.738 . . 1 . . . . . 40 E C . 53712 1 194 . 1 . 1 43 43 GLU CA C 13 59.307 . . 1 . . . . . 40 E CA . 53712 1 195 . 1 . 1 43 43 GLU CB C 13 30.777 . . 1 . . . . . 40 E CB . 53712 1 196 . 1 . 1 43 43 GLU N N 15 119.780 . . 1 . . . . . 40 E N . 53712 1 197 . 1 . 1 44 44 ARG H H 1 8.875 . . 1 . . . . . 41 R H . 53712 1 198 . 1 . 1 44 44 ARG C C 13 177.931 . . 1 . . . . . 41 R C . 53712 1 199 . 1 . 1 44 44 ARG CA C 13 59.576 . . 1 . . . . . 41 R CA . 53712 1 200 . 1 . 1 44 44 ARG CB C 13 30.174 . . 1 . . . . . 41 R CB . 53712 1 201 . 1 . 1 44 44 ARG N N 15 120.171 . . 1 . . . . . 41 R N . 53712 1 202 . 1 . 1 45 45 ASN H H 1 7.606 . . 1 . . . . . 42 N H . 53712 1 203 . 1 . 1 45 45 ASN C C 13 177.049 . . 1 . . . . . 42 N C . 53712 1 204 . 1 . 1 45 45 ASN CA C 13 56.793 . . 1 . . . . . 42 N CA . 53712 1 205 . 1 . 1 45 45 ASN CB C 13 38.330 . . 1 . . . . . 42 N CB . 53712 1 206 . 1 . 1 45 45 ASN N N 15 118.168 . . 1 . . . . . 42 N N . 53712 1 207 . 1 . 1 46 46 LEU H H 1 8.041 . . 1 . . . . . 43 L H . 53712 1 208 . 1 . 1 46 46 LEU C C 13 178.758 . . 1 . . . . . 43 L C . 53712 1 209 . 1 . 1 46 46 LEU CA C 13 58.280 . . 1 . . . . . 43 L CA . 53712 1 210 . 1 . 1 46 46 LEU CB C 13 42.436 . . 1 . . . . . 43 L CB . 53712 1 211 . 1 . 1 46 46 LEU N N 15 119.878 . . 1 . . . . . 43 L N . 53712 1 212 . 1 . 1 47 47 LEU H H 1 8.241 . . 1 . . . . . 44 L H . 53712 1 213 . 1 . 1 47 47 LEU C C 13 177.259 . . 1 . . . . . 44 L C . 53712 1 214 . 1 . 1 47 47 LEU CA C 13 59.152 . . 1 . . . . . 44 L CA . 53712 1 215 . 1 . 1 47 47 LEU CB C 13 42.544 . . 1 . . . . . 44 L CB . 53712 1 216 . 1 . 1 47 47 LEU N N 15 118.940 . . 1 . . . . . 44 L N . 53712 1 217 . 1 . 1 48 48 SER H H 1 7.999 . . 1 . . . . . 45 S H . 53712 1 218 . 1 . 1 48 48 SER C C 13 177.804 . . 1 . . . . . 45 S C . 53712 1 219 . 1 . 1 48 48 SER CA C 13 61.497 . . 1 . . . . . 45 S CA . 53712 1 220 . 1 . 1 48 48 SER CB C 13 63.547 . . 1 . . . . . 45 S CB . 53712 1 221 . 1 . 1 48 48 SER N N 15 110.498 . . 1 . . . . . 45 S N . 53712 1 222 . 1 . 1 49 49 VAL H H 1 8.849 . . 1 . . . . . 46 V H . 53712 1 223 . 1 . 1 49 49 VAL C C 13 178.182 . . 1 . . . . . 46 V C . 53712 1 224 . 1 . 1 49 49 VAL CA C 13 66.608 . . 1 . . . . . 46 V CA . 53712 1 225 . 1 . 1 49 49 VAL CB C 13 32.389 . . 1 . . . . . 46 V CB . 53712 1 226 . 1 . 1 49 49 VAL N N 15 122.012 . . 1 . . . . . 46 V N . 53712 1 227 . 1 . 1 50 50 ALA H H 1 8.157 . . 1 . . . . . 47 A H . 53712 1 228 . 1 . 1 50 50 ALA C C 13 179.262 . . 1 . . . . . 47 A C . 53712 1 229 . 1 . 1 50 50 ALA CA C 13 56.839 . . 1 . . . . . 47 A CA . 53712 1 230 . 1 . 1 50 50 ALA CB C 13 17.937 . . 1 . . . . . 47 A CB . 53712 1 231 . 1 . 1 50 50 ALA N N 15 122.706 . . 1 . . . . . 47 A N . 53712 1 232 . 1 . 1 51 51 TYR H H 1 7.764 . . 1 . . . . . 48 Y H . 53712 1 233 . 1 . 1 51 51 TYR C C 13 177.722 . . 1 . . . . . 48 Y C . 53712 1 234 . 1 . 1 51 51 TYR CA C 13 64.602 . . 1 . . . . . 48 Y CA . 53712 1 235 . 1 . 1 51 51 TYR CB C 13 37.719 . . 1 . . . . . 48 Y CB . 53712 1 236 . 1 . 1 51 51 TYR N N 15 113.763 . . 1 . . . . . 48 Y N . 53712 1 237 . 1 . 1 52 52 LYS H H 1 8.424 . . 1 . . . . . 49 K H . 53712 1 238 . 1 . 1 52 52 LYS C C 13 180.460 . . 1 . . . . . 49 K C . 53712 1 239 . 1 . 1 52 52 LYS CA C 13 59.471 . . 1 . . . . . 49 K CA . 53712 1 240 . 1 . 1 52 52 LYS CB C 13 31.953 . . 1 . . . . . 49 K CB . 53712 1 241 . 1 . 1 52 52 LYS N N 15 120.204 . . 1 . . . . . 49 K N . 53712 1 242 . 1 . 1 53 53 ASN H H 1 7.627 . . 1 . . . . . 50 N H . 53712 1 243 . 1 . 1 53 53 ASN C C 13 178.072 . . 1 . . . . . 50 N C . 53712 1 244 . 1 . 1 53 53 ASN CA C 13 56.468 . . 1 . . . . . 50 N CA . 53712 1 245 . 1 . 1 53 53 ASN CB C 13 39.004 . . 1 . . . . . 50 N CB . 53712 1 246 . 1 . 1 53 53 ASN N N 15 117.687 . . 1 . . . . . 50 N N . 53712 1 247 . 1 . 1 54 54 VAL H H 1 8.053 . . 1 . . . . . 51 V H . 53712 1 248 . 1 . 1 54 54 VAL C C 13 178.763 . . 1 . . . . . 51 V C . 53712 1 249 . 1 . 1 54 54 VAL CA C 13 66.763 . . 1 . . . . . 51 V CA . 53712 1 250 . 1 . 1 54 54 VAL CB C 13 32.448 . . 1 . . . . . 51 V CB . 53712 1 251 . 1 . 1 54 54 VAL N N 15 122.087 . . 1 . . . . . 51 V N . 53712 1 252 . 1 . 1 55 55 VAL H H 1 8.884 . . 1 . . . . . 52 V H . 53712 1 253 . 1 . 1 55 55 VAL C C 13 178.198 . . 1 . . . . . 52 V C . 53712 1 254 . 1 . 1 55 55 VAL CA C 13 66.115 . . 1 . . . . . 52 V CA . 53712 1 255 . 1 . 1 55 55 VAL CB C 13 31.720 . . 1 . . . . . 52 V CB . 53712 1 256 . 1 . 1 55 55 VAL N N 15 119.159 . . 1 . . . . . 52 V N . 53712 1 257 . 1 . 1 56 56 GLY H H 1 8.236 . . 1 . . . . . 53 G H . 53712 1 258 . 1 . 1 56 56 GLY C C 13 176.306 . . 1 . . . . . 53 G C . 53712 1 259 . 1 . 1 56 56 GLY CA C 13 47.161 . . 1 . . . . . 53 G CA . 53712 1 260 . 1 . 1 56 56 GLY N N 15 110.792 . . 1 . . . . . 53 G N . 53712 1 261 . 1 . 1 57 57 ALA H H 1 7.516 . . 1 . . . . . 54 A H . 53712 1 262 . 1 . 1 57 57 ALA C C 13 180.336 . . 1 . . . . . 54 A C . 53712 1 263 . 1 . 1 57 57 ALA CA C 13 54.913 . . 1 . . . . . 54 A CA . 53712 1 264 . 1 . 1 57 57 ALA CB C 13 18.230 . . 1 . . . . . 54 A CB . 53712 1 265 . 1 . 1 57 57 ALA N N 15 123.126 . . 1 . . . . . 54 A N . 53712 1 266 . 1 . 1 58 58 ARG H H 1 7.019 . . 1 . . . . . 55 R H . 53712 1 267 . 1 . 1 58 58 ARG C C 13 177.724 . . 1 . . . . . 55 R C . 53712 1 268 . 1 . 1 58 58 ARG CA C 13 58.968 . . 1 . . . . . 55 R CA . 53712 1 269 . 1 . 1 58 58 ARG CB C 13 30.944 . . 1 . . . . . 55 R CB . 53712 1 270 . 1 . 1 58 58 ARG N N 15 117.546 . . 1 . . . . . 55 R N . 53712 1 271 . 1 . 1 59 59 ARG H H 1 8.600 . . 1 . . . . . 56 R H . 53712 1 272 . 1 . 1 59 59 ARG C C 13 178.798 . . 1 . . . . . 56 R C . 53712 1 273 . 1 . 1 59 59 ARG CA C 13 59.819 . . 1 . . . . . 56 R CA . 53712 1 274 . 1 . 1 59 59 ARG CB C 13 30.540 . . 1 . . . . . 56 R CB . 53712 1 275 . 1 . 1 59 59 ARG N N 15 120.178 . . 1 . . . . . 56 R N . 53712 1 276 . 1 . 1 60 60 SER H H 1 8.129 . . 1 . . . . . 57 S H . 53712 1 277 . 1 . 1 60 60 SER C C 13 177.101 . . 1 . . . . . 57 S C . 53712 1 278 . 1 . 1 60 60 SER CA C 13 61.690 . . 1 . . . . . 57 S CA . 53712 1 279 . 1 . 1 60 60 SER CB C 13 62.415 . . 1 . . . . . 57 S CB . 53712 1 280 . 1 . 1 60 60 SER N N 15 114.104 . . 1 . . . . . 57 S N . 53712 1 281 . 1 . 1 61 61 SEP H H 1 7.843 . . 1 . . . . . 58 S H . 53712 1 282 . 1 . 1 61 61 SEP C C 13 175.731 . . 1 . . . . . 58 S C . 53712 1 283 . 1 . 1 61 61 SEP CA C 13 61.264 . . 1 . . . . . 58 S CA . 53712 1 284 . 1 . 1 61 61 SEP CB C 13 65.486 . . 1 . . . . . 58 S CB . 53712 1 285 . 1 . 1 61 61 SEP N N 15 117.671 . . 1 . . . . . 58 S N . 53712 1 286 . 1 . 1 62 62 TRP H H 1 8.959 . . 1 . . . . . 59 W H . 53712 1 287 . 1 . 1 62 62 TRP C C 13 178.228 . . 1 . . . . . 59 W C . 53712 1 288 . 1 . 1 62 62 TRP CA C 13 62.401 . . 1 . . . . . 59 W CA . 53712 1 289 . 1 . 1 62 62 TRP N N 15 123.424 . . 1 . . . . . 59 W N . 53712 1 290 . 1 . 1 63 63 ARG H H 1 8.267 . . 1 . . . . . 60 R H . 53712 1 291 . 1 . 1 63 63 ARG C C 13 178.775 . . 1 . . . . . 60 R C . 53712 1 292 . 1 . 1 63 63 ARG CA C 13 59.818 . . 1 . . . . . 60 R CA . 53712 1 293 . 1 . 1 63 63 ARG CB C 13 30.461 . . 1 . . . . . 60 R CB . 53712 1 294 . 1 . 1 63 63 ARG N N 15 119.807 . . 1 . . . . . 60 R N . 53712 1 295 . 1 . 1 64 64 VAL H H 1 7.593 . . 1 . . . . . 61 V H . 53712 1 296 . 1 . 1 64 64 VAL C C 13 178.844 . . 1 . . . . . 61 V C . 53712 1 297 . 1 . 1 64 64 VAL CA C 13 66.143 . . 1 . . . . . 61 V CA . 53712 1 298 . 1 . 1 64 64 VAL CB C 13 31.908 . . 1 . . . . . 61 V CB . 53712 1 299 . 1 . 1 64 64 VAL N N 15 119.414 . . 1 . . . . . 61 V N . 53712 1 300 . 1 . 1 65 65 VAL H H 1 8.028 . . 1 . . . . . 62 V H . 53712 1 301 . 1 . 1 65 65 VAL C C 13 177.151 . . 1 . . . . . 62 V C . 53712 1 302 . 1 . 1 65 65 VAL CA C 13 64.751 . . 1 . . . . . 62 V CA . 53712 1 303 . 1 . 1 65 65 VAL CB C 13 31.361 . . 1 . . . . . 62 V CB . 53712 1 304 . 1 . 1 65 65 VAL N N 15 117.976 . . 1 . . . . . 62 V N . 53712 1 305 . 1 . 1 66 66 SER H H 1 8.018 . . 1 . . . . . 63 S H . 53712 1 306 . 1 . 1 66 66 SER C C 13 175.761 . . 1 . . . . . 63 S C . 53712 1 307 . 1 . 1 66 66 SER CA C 13 61.202 . . 1 . . . . . 63 S CA . 53712 1 308 . 1 . 1 66 66 SER CB C 13 62.468 . . 1 . . . . . 63 S CB . 53712 1 309 . 1 . 1 66 66 SER N N 15 117.469 . . 1 . . . . . 63 S N . 53712 1 310 . 1 . 1 67 67 SER H H 1 7.362 . . 1 . . . . . 64 S H . 53712 1 311 . 1 . 1 67 67 SER C C 13 175.896 . . 1 . . . . . 64 S C . 53712 1 312 . 1 . 1 67 67 SER CA C 13 60.536 . . 1 . . . . . 64 S CA . 53712 1 313 . 1 . 1 67 67 SER CB C 13 63.180 . . 1 . . . . . 64 S CB . 53712 1 314 . 1 . 1 67 67 SER N N 15 116.011 . . 1 . . . . . 64 S N . 53712 1 315 . 1 . 1 68 68 ILE H H 1 7.524 . . 1 . . . . . 65 I H . 53712 1 316 . 1 . 1 68 68 ILE C C 13 178.000 . . 1 . . . . . 65 I C . 53712 1 317 . 1 . 1 68 68 ILE CA C 13 63.814 . . 1 . . . . . 65 I CA . 53712 1 318 . 1 . 1 68 68 ILE CB C 13 38.261 . . 1 . . . . . 65 I CB . 53712 1 319 . 1 . 1 68 68 ILE N N 15 122.078 . . 1 . . . . . 65 I N . 53712 1 320 . 1 . 1 69 69 GLU H H 1 8.313 . . 1 . . . . . 66 E H . 53712 1 321 . 1 . 1 69 69 GLU C C 13 177.320 . . 1 . . . . . 66 E C . 53712 1 322 . 1 . 1 69 69 GLU CA C 13 58.674 . . 1 . . . . . 66 E CA . 53712 1 323 . 1 . 1 69 69 GLU CB C 13 30.313 . . 1 . . . . . 66 E CB . 53712 1 324 . 1 . 1 69 69 GLU N N 15 122.759 . . 1 . . . . . 66 E N . 53712 1 325 . 1 . 1 70 70 GLN H H 1 7.745 . . 1 . . . . . 67 Q H . 53712 1 326 . 1 . 1 70 70 GLN C C 13 176.998 . . 1 . . . . . 67 Q C . 53712 1 327 . 1 . 1 70 70 GLN CA C 13 56.923 . . 1 . . . . . 67 Q CA . 53712 1 328 . 1 . 1 70 70 GLN CB C 13 29.078 . . 1 . . . . . 67 Q CB . 53712 1 329 . 1 . 1 70 70 GLN N N 15 116.934 . . 1 . . . . . 67 Q N . 53712 1 330 . 1 . 1 71 71 LYS H H 1 7.856 . . 1 . . . . . 68 K H . 53712 1 331 . 1 . 1 71 71 LYS C C 13 176.938 . . 1 . . . . . 68 K C . 53712 1 332 . 1 . 1 71 71 LYS CA C 13 56.746 . . 1 . . . . . 68 K CA . 53712 1 333 . 1 . 1 71 71 LYS CB C 13 32.784 . . 1 . . . . . 68 K CB . 53712 1 334 . 1 . 1 71 71 LYS N N 15 119.592 . . 1 . . . . . 68 K N . 53712 1 335 . 1 . 1 72 72 THR H H 1 7.723 . . 1 . . . . . 69 T H . 53712 1 336 . 1 . 1 72 72 THR C C 13 174.200 . . 1 . . . . . 69 T C . 53712 1 337 . 1 . 1 72 72 THR CA C 13 62.101 . . 1 . . . . . 69 T CA . 53712 1 338 . 1 . 1 72 72 THR CB C 13 69.511 . . 1 . . . . . 69 T CB . 53712 1 339 . 1 . 1 72 72 THR N N 15 113.505 . . 1 . . . . . 69 T N . 53712 1 340 . 1 . 1 73 73 GLU H H 1 8.081 . . 1 . . . . . 70 E H . 53712 1 341 . 1 . 1 73 73 GLU C C 13 176.932 . . 1 . . . . . 70 E C . 53712 1 342 . 1 . 1 73 73 GLU CA C 13 57.089 . . 1 . . . . . 70 E CA . 53712 1 343 . 1 . 1 73 73 GLU CB C 13 30.088 . . 1 . . . . . 70 E CB . 53712 1 344 . 1 . 1 73 73 GLU N N 15 123.125 . . 1 . . . . . 70 E N . 53712 1 345 . 1 . 1 74 74 GLY H H 1 8.537 . . 1 . . . . . 71 G H . 53712 1 346 . 1 . 1 74 74 GLY C C 13 173.957 . . 1 . . . . . 71 G C . 53712 1 347 . 1 . 1 74 74 GLY CA C 13 45.472 . . 1 . . . . . 71 G CA . 53712 1 348 . 1 . 1 74 74 GLY N N 15 111.307 . . 1 . . . . . 71 G N . 53712 1 349 . 1 . 1 75 75 ALA H H 1 8.109 . . 1 . . . . . 72 A H . 53712 1 350 . 1 . 1 75 75 ALA C C 13 177.482 . . 1 . . . . . 72 A C . 53712 1 351 . 1 . 1 75 75 ALA CA C 13 52.069 . . 1 . . . . . 72 A CA . 53712 1 352 . 1 . 1 75 75 ALA CB C 13 18.722 . . 1 . . . . . 72 A CB . 53712 1 353 . 1 . 1 75 75 ALA N N 15 124.473 . . 1 . . . . . 72 A N . 53712 1 354 . 1 . 1 76 76 GLU H H 1 8.479 . . 1 . . . . . 73 E H . 53712 1 355 . 1 . 1 76 76 GLU C C 13 178.054 . . 1 . . . . . 73 E C . 53712 1 356 . 1 . 1 76 76 GLU CA C 13 59.110 . . 1 . . . . . 73 E CA . 53712 1 357 . 1 . 1 76 76 GLU CB C 13 29.538 . . 1 . . . . . 73 E CB . 53712 1 358 . 1 . 1 76 76 GLU N N 15 121.097 . . 1 . . . . . 73 E N . 53712 1 359 . 1 . 1 77 77 LYS H H 1 8.417 . . 1 . . . . . 74 K H . 53712 1 360 . 1 . 1 77 77 LYS C C 13 178.382 . . 1 . . . . . 74 K C . 53712 1 361 . 1 . 1 77 77 LYS CA C 13 58.491 . . 1 . . . . . 74 K CA . 53712 1 362 . 1 . 1 77 77 LYS CB C 13 31.941 . . 1 . . . . . 74 K CB . 53712 1 363 . 1 . 1 77 77 LYS N N 15 120.030 . . 1 . . . . . 74 K N . 53712 1 364 . 1 . 1 78 78 LYS H H 1 7.751 . . 1 . . . . . 75 K H . 53712 1 365 . 1 . 1 78 78 LYS C C 13 178.637 . . 1 . . . . . 75 K C . 53712 1 366 . 1 . 1 78 78 LYS CA C 13 58.602 . . 1 . . . . . 75 K CA . 53712 1 367 . 1 . 1 78 78 LYS CB C 13 32.554 . . 1 . . . . . 75 K CB . 53712 1 368 . 1 . 1 78 78 LYS N N 15 119.270 . . 1 . . . . . 75 K N . 53712 1 369 . 1 . 1 79 79 GLN H H 1 8.197 . . 1 . . . . . 76 Q H . 53712 1 370 . 1 . 1 79 79 GLN C C 13 177.769 . . 1 . . . . . 76 Q C . 53712 1 371 . 1 . 1 79 79 GLN CA C 13 58.777 . . 1 . . . . . 76 Q CA . 53712 1 372 . 1 . 1 79 79 GLN CB C 13 28.717 . . 1 . . . . . 76 Q CB . 53712 1 373 . 1 . 1 79 79 GLN N N 15 120.180 . . 1 . . . . . 76 Q N . 53712 1 374 . 1 . 1 80 80 GLN H H 1 8.174 . . 1 . . . . . 77 Q H . 53712 1 375 . 1 . 1 80 80 GLN C C 13 177.860 . . 1 . . . . . 77 Q C . 53712 1 376 . 1 . 1 80 80 GLN CA C 13 58.501 . . 1 . . . . . 77 Q CA . 53712 1 377 . 1 . 1 80 80 GLN CB C 13 28.165 . . 1 . . . . . 77 Q CB . 53712 1 378 . 1 . 1 80 80 GLN N N 15 119.772 . . 1 . . . . . 77 Q N . 53712 1 379 . 1 . 1 81 81 MET H H 1 7.994 . . 1 . . . . . 78 M H . 53712 1 380 . 1 . 1 81 81 MET C C 13 178.408 . . 1 . . . . . 78 M C . 53712 1 381 . 1 . 1 81 81 MET CA C 13 58.197 . . 1 . . . . . 78 M CA . 53712 1 382 . 1 . 1 81 81 MET CB C 13 32.635 . . 1 . . . . . 78 M CB . 53712 1 383 . 1 . 1 81 81 MET N N 15 118.409 . . 1 . . . . . 78 M N . 53712 1 384 . 1 . 1 82 82 ALA H H 1 7.861 . . 1 . . . . . 79 A H . 53712 1 385 . 1 . 1 82 82 ALA C C 13 178.603 . . 1 . . . . . 79 A C . 53712 1 386 . 1 . 1 82 82 ALA CA C 13 54.859 . . 1 . . . . . 79 A CA . 53712 1 387 . 1 . 1 82 82 ALA CB C 13 17.903 . . 1 . . . . . 79 A CB . 53712 1 388 . 1 . 1 82 82 ALA N N 15 123.101 . . 1 . . . . . 79 A N . 53712 1 389 . 1 . 1 83 83 ARG H H 1 8.175 . . 1 . . . . . 80 R H . 53712 1 390 . 1 . 1 83 83 ARG C C 13 178.156 . . 1 . . . . . 80 R C . 53712 1 391 . 1 . 1 83 83 ARG CA C 13 59.577 . . 1 . . . . . 80 R CA . 53712 1 392 . 1 . 1 83 83 ARG CB C 13 29.845 . . 1 . . . . . 80 R CB . 53712 1 393 . 1 . 1 83 83 ARG N N 15 119.428 . . 1 . . . . . 80 R N . 53712 1 394 . 1 . 1 84 84 GLU H H 1 8.214 . . 1 . . . . . 81 E H . 53712 1 395 . 1 . 1 84 84 GLU C C 13 179.341 . . 1 . . . . . 81 E C . 53712 1 396 . 1 . 1 84 84 GLU CA C 13 59.435 . . 1 . . . . . 81 E CA . 53712 1 397 . 1 . 1 84 84 GLU CB C 13 29.431 . . 1 . . . . . 81 E CB . 53712 1 398 . 1 . 1 84 84 GLU N N 15 117.855 . . 1 . . . . . 81 E N . 53712 1 399 . 1 . 1 85 85 TYR H H 1 7.953 . . 1 . . . . . 82 Y H . 53712 1 400 . 1 . 1 85 85 TYR C C 13 177.279 . . 1 . . . . . 82 Y C . 53712 1 401 . 1 . 1 85 85 TYR CA C 13 60.305 . . 1 . . . . . 82 Y CA . 53712 1 402 . 1 . 1 85 85 TYR CB C 13 38.021 . . 1 . . . . . 82 Y CB . 53712 1 403 . 1 . 1 85 85 TYR N N 15 121.105 . . 1 . . . . . 82 Y N . 53712 1 404 . 1 . 1 86 86 ARG H H 1 8.642 . . 1 . . . . . 83 R H . 53712 1 405 . 1 . 1 86 86 ARG C C 13 178.464 . . 1 . . . . . 83 R C . 53712 1 406 . 1 . 1 86 86 ARG CA C 13 60.807 . . 1 . . . . . 83 R CA . 53712 1 407 . 1 . 1 86 86 ARG CB C 13 29.175 . . 1 . . . . . 83 R CB . 53712 1 408 . 1 . 1 86 86 ARG N N 15 120.111 . . 1 . . . . . 83 R N . 53712 1 409 . 1 . 1 87 87 GLU H H 1 8.402 . . 1 . . . . . 84 E H . 53712 1 410 . 1 . 1 87 87 GLU C C 13 179.268 . . 1 . . . . . 84 E C . 53712 1 411 . 1 . 1 87 87 GLU CA C 13 59.891 . . 1 . . . . . 84 E CA . 53712 1 412 . 1 . 1 87 87 GLU CB C 13 29.349 . . 1 . . . . . 84 E CB . 53712 1 413 . 1 . 1 87 87 GLU N N 15 117.464 . . 1 . . . . . 84 E N . 53712 1 414 . 1 . 1 88 88 LYS H H 1 7.683 . . 1 . . . . . 85 K H . 53712 1 415 . 1 . 1 88 88 LYS C C 13 179.147 . . 1 . . . . . 85 K C . 53712 1 416 . 1 . 1 88 88 LYS CA C 13 59.818 . . 1 . . . . . 85 K CA . 53712 1 417 . 1 . 1 88 88 LYS CB C 13 32.299 . . 1 . . . . . 85 K CB . 53712 1 418 . 1 . 1 88 88 LYS N N 15 121.948 . . 1 . . . . . 85 K N . 53712 1 419 . 1 . 1 89 89 ILE H H 1 8.113 . . 1 . . . . . 86 I H . 53712 1 420 . 1 . 1 89 89 ILE C C 13 178.485 . . 1 . . . . . 86 I C . 53712 1 421 . 1 . 1 89 89 ILE CA C 13 64.275 . . 1 . . . . . 86 I CA . 53712 1 422 . 1 . 1 89 89 ILE CB C 13 37.751 . . 1 . . . . . 86 I CB . 53712 1 423 . 1 . 1 89 89 ILE N N 15 119.945 . . 1 . . . . . 86 I N . 53712 1 424 . 1 . 1 90 90 GLU H H 1 8.723 . . 1 . . . . . 87 E H . 53712 1 425 . 1 . 1 90 90 GLU C C 13 178.414 . . 1 . . . . . 87 E C . 53712 1 426 . 1 . 1 90 90 GLU CA C 13 60.734 . . 1 . . . . . 87 E CA . 53712 1 427 . 1 . 1 90 90 GLU CB C 13 29.325 . . 1 . . . . . 87 E CB . 53712 1 428 . 1 . 1 90 90 GLU N N 15 119.291 . . 1 . . . . . 87 E N . 53712 1 429 . 1 . 1 91 91 THR H H 1 8.003 . . 1 . . . . . 88 T H . 53712 1 430 . 1 . 1 91 91 THR C C 13 175.898 . . 1 . . . . . 88 T C . 53712 1 431 . 1 . 1 91 91 THR CA C 13 66.993 . . 1 . . . . . 88 T CA . 53712 1 432 . 1 . 1 91 91 THR CB C 13 68.869 . . 1 . . . . . 88 T CB . 53712 1 433 . 1 . 1 91 91 THR N N 15 115.502 . . 1 . . . . . 88 T N . 53712 1 434 . 1 . 1 92 92 GLU H H 1 7.778 . . 1 . . . . . 89 E H . 53712 1 435 . 1 . 1 92 92 GLU C C 13 179.125 . . 1 . . . . . 89 E C . 53712 1 436 . 1 . 1 92 92 GLU CA C 13 59.700 . . 1 . . . . . 89 E CA . 53712 1 437 . 1 . 1 92 92 GLU CB C 13 29.963 . . 1 . . . . . 89 E CB . 53712 1 438 . 1 . 1 92 92 GLU N N 15 120.887 . . 1 . . . . . 89 E N . 53712 1 439 . 1 . 1 93 93 LEU H H 1 8.818 . . 1 . . . . . 90 L H . 53712 1 440 . 1 . 1 93 93 LEU C C 13 178.823 . . 1 . . . . . 90 L C . 53712 1 441 . 1 . 1 93 93 LEU CA C 13 59.138 . . 1 . . . . . 90 L CA . 53712 1 442 . 1 . 1 93 93 LEU CB C 13 42.927 . . 1 . . . . . 90 L CB . 53712 1 443 . 1 . 1 93 93 LEU N N 15 119.446 . . 1 . . . . . 90 L N . 53712 1 444 . 1 . 1 94 94 ARG H H 1 8.423 . . 1 . . . . . 91 R H . 53712 1 445 . 1 . 1 94 94 ARG C C 13 178.148 . . 1 . . . . . 91 R C . 53712 1 446 . 1 . 1 94 94 ARG CA C 13 60.325 . . 1 . . . . . 91 R CA . 53712 1 447 . 1 . 1 94 94 ARG CB C 13 29.728 . . 1 . . . . . 91 R CB . 53712 1 448 . 1 . 1 94 94 ARG N N 15 119.319 . . 1 . . . . . 91 R N . 53712 1 449 . 1 . 1 95 95 ASP H H 1 8.036 . . 1 . . . . . 92 D H . 53712 1 450 . 1 . 1 95 95 ASP C C 13 179.242 . . 1 . . . . . 92 D C . 53712 1 451 . 1 . 1 95 95 ASP CA C 13 57.774 . . 1 . . . . . 92 D CA . 53712 1 452 . 1 . 1 95 95 ASP CB C 13 39.936 . . 1 . . . . . 92 D CB . 53712 1 453 . 1 . 1 95 95 ASP N N 15 119.786 . . 1 . . . . . 92 D N . 53712 1 454 . 1 . 1 96 96 ILE H H 1 8.398 . . 1 . . . . . 93 I H . 53712 1 455 . 1 . 1 96 96 ILE C C 13 178.315 . . 1 . . . . . 93 I C . 53712 1 456 . 1 . 1 96 96 ILE CA C 13 65.306 . . 1 . . . . . 93 I CA . 53712 1 457 . 1 . 1 96 96 ILE CB C 13 39.088 . . 1 . . . . . 93 I CB . 53712 1 458 . 1 . 1 96 96 ILE N N 15 121.331 . . 1 . . . . . 93 I N . 53712 1 459 . 1 . 1 97 97 CYS H H 1 8.470 . . 1 . . . . . 94 C H . 53712 1 460 . 1 . 1 97 97 CYS C C 13 176.549 . . 1 . . . . . 94 C C . 53712 1 461 . 1 . 1 97 97 CYS CA C 13 64.652 . . 1 . . . . . 94 C CA . 53712 1 462 . 1 . 1 97 97 CYS CB C 13 27.096 . . 1 . . . . . 94 C CB . 53712 1 463 . 1 . 1 97 97 CYS N N 15 116.092 . . 1 . . . . . 94 C N . 53712 1 464 . 1 . 1 98 98 ASN H H 1 8.556 . . 1 . . . . . 95 N H . 53712 1 465 . 1 . 1 98 98 ASN C C 13 177.914 . . 1 . . . . . 95 N C . 53712 1 466 . 1 . 1 98 98 ASN CA C 13 56.442 . . 1 . . . . . 95 N CA . 53712 1 467 . 1 . 1 98 98 ASN CB C 13 37.953 . . 1 . . . . . 95 N CB . 53712 1 468 . 1 . 1 98 98 ASN N N 15 116.207 . . 1 . . . . . 95 N N . 53712 1 469 . 1 . 1 99 99 ASP C C 13 178.461 . . 1 . . . . . 96 D C . 53712 1 470 . 1 . 1 99 99 ASP CA C 13 57.505 . . 1 . . . . . 96 D CA . 53712 1 471 . 1 . 1 99 99 ASP CB C 13 40.860 . . 1 . . . . . 96 D CB . 53712 1 472 . 1 . 1 100 100 VAL H H 1 7.670 . . 1 . . . . . 97 V H . 53712 1 473 . 1 . 1 100 100 VAL C C 13 177.719 . . 1 . . . . . 97 V C . 53712 1 474 . 1 . 1 100 100 VAL CA C 13 66.476 . . 1 . . . . . 97 V CA . 53712 1 475 . 1 . 1 100 100 VAL CB C 13 30.928 . . 1 . . . . . 97 V CB . 53712 1 476 . 1 . 1 100 100 VAL N N 15 120.090 . . 1 . . . . . 97 V N . 53712 1 477 . 1 . 1 101 101 LEU H H 1 8.366 . . 1 . . . . . 98 L H . 53712 1 478 . 1 . 1 101 101 LEU C C 13 179.558 . . 1 . . . . . 98 L C . 53712 1 479 . 1 . 1 101 101 LEU CA C 13 58.365 . . 1 . . . . . 98 L CA . 53712 1 480 . 1 . 1 101 101 LEU CB C 13 41.388 . . 1 . . . . . 98 L CB . 53712 1 481 . 1 . 1 101 101 LEU N N 15 119.596 . . 1 . . . . . 98 L N . 53712 1 482 . 1 . 1 102 102 SER H H 1 7.900 . . 1 . . . . . 99 S H . 53712 1 483 . 1 . 1 102 102 SER C C 13 176.459 . . 1 . . . . . 99 S C . 53712 1 484 . 1 . 1 102 102 SER CA C 13 61.780 . . 1 . . . . . 99 S CA . 53712 1 485 . 1 . 1 102 102 SER CB C 13 62.764 . . 1 . . . . . 99 S CB . 53712 1 486 . 1 . 1 102 102 SER N N 15 115.489 . . 1 . . . . . 99 S N . 53712 1 487 . 1 . 1 103 103 LEU H H 1 7.784 . . 1 . . . . . 100 L H . 53712 1 488 . 1 . 1 103 103 LEU CA C 13 58.195 . . 1 . . . . . 100 L CA . 53712 1 489 . 1 . 1 103 103 LEU CB C 13 41.995 . . 1 . . . . . 100 L CB . 53712 1 490 . 1 . 1 103 103 LEU N N 15 121.522 . . 1 . . . . . 100 L N . 53712 1 491 . 1 . 1 104 104 LEU C C 13 177.223 . . 1 . . . . . 101 L C . 53712 1 492 . 1 . 1 104 104 LEU CA C 13 58.405 . . 1 . . . . . 101 L CA . 53712 1 493 . 1 . 1 105 105 GLU H H 1 8.061 . . 1 . . . . . 102 E H . 53712 1 494 . 1 . 1 105 105 GLU C C 13 178.058 . . 1 . . . . . 102 E C . 53712 1 495 . 1 . 1 105 105 GLU CA C 13 58.530 . . 1 . . . . . 102 E CA . 53712 1 496 . 1 . 1 105 105 GLU CB C 13 30.387 . . 1 . . . . . 102 E CB . 53712 1 497 . 1 . 1 105 105 GLU N N 15 115.997 . . 1 . . . . . 102 E N . 53712 1 498 . 1 . 1 106 106 LYS H H 1 8.224 . . 1 . . . . . 103 K H . 53712 1 499 . 1 . 1 106 106 LYS C C 13 177.086 . . 1 . . . . . 103 K C . 53712 1 500 . 1 . 1 106 106 LYS CA C 13 57.992 . . 1 . . . . . 103 K CA . 53712 1 501 . 1 . 1 106 106 LYS CB C 13 33.429 . . 1 . . . . . 103 K CB . 53712 1 502 . 1 . 1 106 106 LYS N N 15 113.895 . . 1 . . . . . 103 K N . 53712 1 503 . 1 . 1 107 107 PHE C C 13 177.135 . . 1 . . . . . 104 F C . 53712 1 504 . 1 . 1 107 107 PHE CA C 13 56.175 . . 1 . . . . . 104 F CA . 53712 1 505 . 1 . 1 108 108 LEU H H 1 9.065 . . 1 . . . . . 105 L H . 53712 1 506 . 1 . 1 108 108 LEU C C 13 177.745 . . 1 . . . . . 105 L C . 53712 1 507 . 1 . 1 108 108 LEU CA C 13 55.277 . . 1 . . . . . 105 L CA . 53712 1 508 . 1 . 1 108 108 LEU CB C 13 38.012 . . 1 . . . . . 105 L CB . 53712 1 509 . 1 . 1 108 108 LEU N N 15 122.258 . . 1 . . . . . 105 L N . 53712 1 510 . 1 . 1 109 109 ILE H H 1 8.333 . . 1 . . . . . 106 I H . 53712 1 511 . 1 . 1 109 109 ILE CA C 13 63.915 . . 1 . . . . . 106 I CA . 53712 1 512 . 1 . 1 109 109 ILE CB C 13 37.796 . . 1 . . . . . 106 I CB . 53712 1 513 . 1 . 1 109 109 ILE N N 15 116.298 . . 1 . . . . . 106 I N . 53712 1 514 . 1 . 1 110 110 PRO C C 13 177.106 . . 1 . . . . . 107 P C . 53712 1 515 . 1 . 1 110 110 PRO CA C 13 65.591 . . 1 . . . . . 107 P CA . 53712 1 516 . 1 . 1 110 110 PRO CB C 13 31.136 . . 1 . . . . . 107 P CB . 53712 1 517 . 1 . 1 111 111 ASN H H 1 6.486 . . 1 . . . . . 108 N H . 53712 1 518 . 1 . 1 111 111 ASN C C 13 174.173 . . 1 . . . . . 108 N C . 53712 1 519 . 1 . 1 111 111 ASN CA C 13 52.424 . . 1 . . . . . 108 N CA . 53712 1 520 . 1 . 1 111 111 ASN CB C 13 39.697 . . 1 . . . . . 108 N CB . 53712 1 521 . 1 . 1 111 111 ASN N N 15 110.711 . . 1 . . . . . 108 N N . 53712 1 522 . 1 . 1 112 112 ALA H H 1 7.191 . . 1 . . . . . 109 A H . 53712 1 523 . 1 . 1 112 112 ALA C C 13 177.834 . . 1 . . . . . 109 A C . 53712 1 524 . 1 . 1 112 112 ALA CA C 13 52.675 . . 1 . . . . . 109 A CA . 53712 1 525 . 1 . 1 112 112 ALA CB C 13 17.619 . . 1 . . . . . 109 A CB . 53712 1 526 . 1 . 1 112 112 ALA N N 15 123.599 . . 1 . . . . . 109 A N . 53712 1 527 . 1 . 1 113 113 SER H H 1 8.696 . . 1 . . . . . 110 S H . 53712 1 528 . 1 . 1 113 113 SER C C 13 174.489 . . 1 . . . . . 110 S C . 53712 1 529 . 1 . 1 113 113 SER CA C 13 59.674 . . 1 . . . . . 110 S CA . 53712 1 530 . 1 . 1 113 113 SER CB C 13 63.949 . . 1 . . . . . 110 S CB . 53712 1 531 . 1 . 1 113 113 SER N N 15 119.960 . . 1 . . . . . 110 S N . 53712 1 532 . 1 . 1 114 114 GLN H H 1 7.476 . . 1 . . . . . 111 Q H . 53712 1 533 . 1 . 1 114 114 GLN C C 13 176.257 . . 1 . . . . . 111 Q C . 53712 1 534 . 1 . 1 114 114 GLN CA C 13 54.099 . . 1 . . . . . 111 Q CA . 53712 1 535 . 1 . 1 114 114 GLN CB C 13 30.917 . . 1 . . . . . 111 Q CB . 53712 1 536 . 1 . 1 114 114 GLN N N 15 118.593 . . 1 . . . . . 111 Q N . 53712 1 537 . 1 . 1 115 115 ALA H H 1 8.940 . . 1 . . . . . 112 A H . 53712 1 538 . 1 . 1 115 115 ALA C C 13 178.766 . . 1 . . . . . 112 A C . 53712 1 539 . 1 . 1 115 115 ALA CA C 13 55.901 . . 1 . . . . . 112 A CA . 53712 1 540 . 1 . 1 115 115 ALA CB C 13 18.173 . . 1 . . . . . 112 A CB . 53712 1 541 . 1 . 1 115 115 ALA N N 15 126.444 . . 1 . . . . . 112 A N . 53712 1 542 . 1 . 1 116 116 GLU H H 1 8.818 . . 1 . . . . . 113 E H . 53712 1 543 . 1 . 1 116 116 GLU C C 13 177.786 . . 1 . . . . . 113 E C . 53712 1 544 . 1 . 1 116 116 GLU CA C 13 60.412 . . 1 . . . . . 113 E CA . 53712 1 545 . 1 . 1 116 116 GLU CB C 13 29.297 . . 1 . . . . . 113 E CB . 53712 1 546 . 1 . 1 116 116 GLU N N 15 114.555 . . 1 . . . . . 113 E N . 53712 1 547 . 1 . 1 117 117 SER H H 1 6.936 . . 1 . . . . . 114 S H . 53712 1 548 . 1 . 1 117 117 SER C C 13 174.529 . . 1 . . . . . 114 S C . 53712 1 549 . 1 . 1 117 117 SER CA C 13 60.875 . . 1 . . . . . 114 S CA . 53712 1 550 . 1 . 1 117 117 SER CB C 13 62.548 . . 1 . . . . . 114 S CB . 53712 1 551 . 1 . 1 117 117 SER N N 15 112.146 . . 1 . . . . . 114 S N . 53712 1 552 . 1 . 1 118 118 LYS H H 1 7.930 . . 1 . . . . . 115 K H . 53712 1 553 . 1 . 1 118 118 LYS C C 13 178.216 . . 1 . . . . . 115 K C . 53712 1 554 . 1 . 1 118 118 LYS CA C 13 61.030 . . 1 . . . . . 115 K CA . 53712 1 555 . 1 . 1 118 118 LYS CB C 13 32.718 . . 1 . . . . . 115 K CB . 53712 1 556 . 1 . 1 118 118 LYS N N 15 122.505 . . 1 . . . . . 115 K N . 53712 1 557 . 1 . 1 119 119 VAL H H 1 8.522 . . 1 . . . . . 116 V H . 53712 1 558 . 1 . 1 119 119 VAL C C 13 176.701 . . 1 . . . . . 116 V C . 53712 1 559 . 1 . 1 119 119 VAL CA C 13 67.425 . . 1 . . . . . 116 V CA . 53712 1 560 . 1 . 1 119 119 VAL CB C 13 31.347 . . 1 . . . . . 116 V CB . 53712 1 561 . 1 . 1 119 119 VAL N N 15 116.244 . . 1 . . . . . 116 V N . 53712 1 562 . 1 . 1 120 120 PHE H H 1 7.810 . . 1 . . . . . 117 F H . 53712 1 563 . 1 . 1 120 120 PHE C C 13 178.415 . . 1 . . . . . 117 F C . 53712 1 564 . 1 . 1 120 120 PHE CA C 13 62.561 . . 1 . . . . . 117 F CA . 53712 1 565 . 1 . 1 120 120 PHE CB C 13 39.457 . . 1 . . . . . 117 F CB . 53712 1 566 . 1 . 1 120 120 PHE N N 15 119.475 . . 1 . . . . . 117 F N . 53712 1 567 . 1 . 1 121 121 TYR H H 1 8.558 . . 1 . . . . . 118 Y H . 53712 1 568 . 1 . 1 121 121 TYR C C 13 178.265 . . 1 . . . . . 118 Y C . 53712 1 569 . 1 . 1 121 121 TYR CA C 13 59.709 . . 1 . . . . . 118 Y CA . 53712 1 570 . 1 . 1 121 121 TYR CB C 13 38.744 . . 1 . . . . . 118 Y CB . 53712 1 571 . 1 . 1 121 121 TYR N N 15 117.429 . . 1 . . . . . 118 Y N . 53712 1 572 . 1 . 1 122 122 LEU H H 1 8.656 . . 1 . . . . . 119 L H . 53712 1 573 . 1 . 1 122 122 LEU C C 13 178.498 . . 1 . . . . . 119 L C . 53712 1 574 . 1 . 1 122 122 LEU CA C 13 58.306 . . 1 . . . . . 119 L CA . 53712 1 575 . 1 . 1 122 122 LEU CB C 13 43.197 . . 1 . . . . . 119 L CB . 53712 1 576 . 1 . 1 122 122 LEU N N 15 122.504 . . 1 . . . . . 119 L N . 53712 1 577 . 1 . 1 123 123 LYS H H 1 8.556 . . 1 . . . . . 120 K H . 53712 1 578 . 1 . 1 123 123 LYS C C 13 177.378 . . 1 . . . . . 120 K C . 53712 1 579 . 1 . 1 123 123 LYS CA C 13 59.931 . . 1 . . . . . 120 K CA . 53712 1 580 . 1 . 1 123 123 LYS CB C 13 32.075 . . 1 . . . . . 120 K CB . 53712 1 581 . 1 . 1 123 123 LYS N N 15 119.791 . . 1 . . . . . 120 K N . 53712 1 582 . 1 . 1 124 124 MET C C 13 177.054 . . 1 . . . . . 121 M C . 53712 1 583 . 1 . 1 124 124 MET CA C 13 60.081 . . 1 . . . . . 121 M CA . 53712 1 584 . 1 . 1 124 124 MET CB C 13 29.377 . . 1 . . . . . 121 M CB . 53712 1 585 . 1 . 1 125 125 LYS H H 1 8.334 . . 1 . . . . . 122 K H . 53712 1 586 . 1 . 1 125 125 LYS C C 13 177.192 . . 1 . . . . . 122 K C . 53712 1 587 . 1 . 1 125 125 LYS CA C 13 59.914 . . 1 . . . . . 122 K CA . 53712 1 588 . 1 . 1 125 125 LYS CB C 13 33.192 . . 1 . . . . . 122 K CB . 53712 1 589 . 1 . 1 125 125 LYS N N 15 121.145 . . 1 . . . . . 122 K N . 53712 1 590 . 1 . 1 126 126 GLY H H 1 7.909 . . 1 . . . . . 123 G H . 53712 1 591 . 1 . 1 126 126 GLY C C 13 176.079 . . 1 . . . . . 123 G C . 53712 1 592 . 1 . 1 126 126 GLY CA C 13 47.230 . . 1 . . . . . 123 G CA . 53712 1 593 . 1 . 1 126 126 GLY N N 15 106.627 . . 1 . . . . . 123 G N . 53712 1 594 . 1 . 1 127 127 ASP H H 1 8.603 . . 1 . . . . . 124 D H . 53712 1 595 . 1 . 1 127 127 ASP C C 13 175.532 . . 1 . . . . . 124 D C . 53712 1 596 . 1 . 1 127 127 ASP CA C 13 56.862 . . 1 . . . . . 124 D CA . 53712 1 597 . 1 . 1 127 127 ASP CB C 13 39.965 . . 1 . . . . . 124 D CB . 53712 1 598 . 1 . 1 127 127 ASP N N 15 122.602 . . 1 . . . . . 124 D N . 53712 1 599 . 1 . 1 128 128 TYR H H 1 8.387 . . 1 . . . . . 125 Y H . 53712 1 600 . 1 . 1 128 128 TYR C C 13 179.315 . . 1 . . . . . 125 Y C . 53712 1 601 . 1 . 1 128 128 TYR CA C 13 63.277 . . 1 . . . . . 125 Y CA . 53712 1 602 . 1 . 1 128 128 TYR CB C 13 37.101 . . 1 . . . . . 125 Y CB . 53712 1 603 . 1 . 1 128 128 TYR N N 15 116.026 . . 1 . . . . . 125 Y N . 53712 1 604 . 1 . 1 129 129 TYR H H 1 7.953 . . 1 . . . . . 126 Y H . 53712 1 605 . 1 . 1 129 129 TYR C C 13 177.913 . . 1 . . . . . 126 Y C . 53712 1 606 . 1 . 1 129 129 TYR CA C 13 63.314 . . 1 . . . . . 126 Y CA . 53712 1 607 . 1 . 1 129 129 TYR CB C 13 37.630 . . 1 . . . . . 126 Y CB . 53712 1 608 . 1 . 1 129 129 TYR N N 15 117.962 . . 1 . . . . . 126 Y N . 53712 1 609 . 1 . 1 130 130 ARG H H 1 7.843 . . 1 . . . . . 127 R H . 53712 1 610 . 1 . 1 130 130 ARG C C 13 178.126 . . 1 . . . . . 127 R C . 53712 1 611 . 1 . 1 130 130 ARG CA C 13 60.629 . . 1 . . . . . 127 R CA . 53712 1 612 . 1 . 1 130 130 ARG CB C 13 28.300 . . 1 . . . . . 127 R CB . 53712 1 613 . 1 . 1 130 130 ARG N N 15 122.076 . . 1 . . . . . 127 R N . 53712 1 614 . 1 . 1 131 131 TYR H H 1 7.933 . . 1 . . . . . 128 Y H . 53712 1 615 . 1 . 1 131 131 TYR C C 13 179.623 . . 1 . . . . . 128 Y C . 53712 1 616 . 1 . 1 131 131 TYR CA C 13 57.841 . . 1 . . . . . 128 Y CA . 53712 1 617 . 1 . 1 131 131 TYR CB C 13 36.307 . . 1 . . . . . 128 Y CB . 53712 1 618 . 1 . 1 131 131 TYR N N 15 118.825 . . 1 . . . . . 128 Y N . 53712 1 619 . 1 . 1 132 132 LEU H H 1 7.586 . . 1 . . . . . 129 L H . 53712 1 620 . 1 . 1 132 132 LEU C C 13 179.596 . . 1 . . . . . 129 L C . 53712 1 621 . 1 . 1 132 132 LEU CA C 13 57.347 . . 1 . . . . . 129 L CA . 53712 1 622 . 1 . 1 132 132 LEU CB C 13 42.874 . . 1 . . . . . 129 L CB . 53712 1 623 . 1 . 1 132 132 LEU N N 15 119.183 . . 1 . . . . . 129 L N . 53712 1 624 . 1 . 1 133 133 ALA H H 1 8.505 . . 1 . . . . . 130 A H . 53712 1 625 . 1 . 1 133 133 ALA C C 13 179.274 . . 1 . . . . . 130 A C . 53712 1 626 . 1 . 1 133 133 ALA CA C 13 54.894 . . 1 . . . . . 130 A CA . 53712 1 627 . 1 . 1 133 133 ALA CB C 13 18.152 . . 1 . . . . . 130 A CB . 53712 1 628 . 1 . 1 133 133 ALA N N 15 122.410 . . 1 . . . . . 130 A N . 53712 1 629 . 1 . 1 134 134 GLU H H 1 7.644 . . 1 . . . . . 131 E H . 53712 1 630 . 1 . 1 134 134 GLU C C 13 177.799 . . 1 . . . . . 131 E C . 53712 1 631 . 1 . 1 134 134 GLU CA C 13 58.995 . . 1 . . . . . 131 E CA . 53712 1 632 . 1 . 1 134 134 GLU CB C 13 30.166 . . 1 . . . . . 131 E CB . 53712 1 633 . 1 . 1 134 134 GLU N N 15 114.977 . . 1 . . . . . 131 E N . 53712 1 634 . 1 . 1 135 135 VAL H H 1 6.689 . . 1 . . . . . 132 V H . 53712 1 635 . 1 . 1 135 135 VAL C C 13 174.785 . . 1 . . . . . 132 V C . 53712 1 636 . 1 . 1 135 135 VAL CA C 13 59.623 . . 1 . . . . . 132 V CA . 53712 1 637 . 1 . 1 135 135 VAL CB C 13 31.593 . . 1 . . . . . 132 V CB . 53712 1 638 . 1 . 1 135 135 VAL N N 15 105.363 . . 1 . . . . . 132 V N . 53712 1 639 . 1 . 1 136 136 ALA H H 1 7.164 . . 1 . . . . . 133 A H . 53712 1 640 . 1 . 1 136 136 ALA C C 13 176.225 . . 1 . . . . . 133 A C . 53712 1 641 . 1 . 1 136 136 ALA CA C 13 51.916 . . 1 . . . . . 133 A CA . 53712 1 642 . 1 . 1 136 136 ALA CB C 13 20.336 . . 1 . . . . . 133 A CB . 53712 1 643 . 1 . 1 136 136 ALA N N 15 125.816 . . 1 . . . . . 133 A N . 53712 1 644 . 1 . 1 137 137 ALA H H 1 8.687 . . 1 . . . . . 134 A H . 53712 1 645 . 1 . 1 137 137 ALA C C 13 178.440 . . 1 . . . . . 134 A C . 53712 1 646 . 1 . 1 137 137 ALA CA C 13 51.484 . . 1 . . . . . 134 A CA . 53712 1 647 . 1 . 1 137 137 ALA CB C 13 21.035 . . 1 . . . . . 134 A CB . 53712 1 648 . 1 . 1 137 137 ALA N N 15 123.205 . . 1 . . . . . 134 A N . 53712 1 649 . 1 . 1 138 138 GLY H H 1 8.572 . . 1 . . . . . 135 G H . 53712 1 650 . 1 . 1 138 138 GLY C C 13 176.058 . . 1 . . . . . 135 G C . 53712 1 651 . 1 . 1 138 138 GLY CA C 13 46.641 . . 1 . . . . . 135 G CA . 53712 1 652 . 1 . 1 138 138 GLY N N 15 108.023 . . 1 . . . . . 135 G N . 53712 1 653 . 1 . 1 139 139 ASP H H 1 8.785 . . 1 . . . . . 136 D H . 53712 1 654 . 1 . 1 139 139 ASP C C 13 177.257 . . 1 . . . . . 136 D C . 53712 1 655 . 1 . 1 139 139 ASP CA C 13 56.496 . . 1 . . . . . 136 D CA . 53712 1 656 . 1 . 1 139 139 ASP CB C 13 40.378 . . 1 . . . . . 136 D CB . 53712 1 657 . 1 . 1 139 139 ASP N N 15 122.778 . . 1 . . . . . 136 D N . 53712 1 658 . 1 . 1 140 140 ASP H H 1 8.177 . . 1 . . . . . 137 D H . 53712 1 659 . 1 . 1 140 140 ASP C C 13 177.556 . . 1 . . . . . 137 D C . 53712 1 660 . 1 . 1 140 140 ASP CA C 13 55.382 . . 1 . . . . . 137 D CA . 53712 1 661 . 1 . 1 140 140 ASP CB C 13 40.886 . . 1 . . . . . 137 D CB . 53712 1 662 . 1 . 1 140 140 ASP N N 15 118.479 . . 1 . . . . . 137 D N . 53712 1 663 . 1 . 1 141 141 LYS H H 1 7.310 . . 1 . . . . . 138 K H . 53712 1 664 . 1 . 1 141 141 LYS C C 13 176.930 . . 1 . . . . . 138 K C . 53712 1 665 . 1 . 1 141 141 LYS CA C 13 60.563 . . 1 . . . . . 138 K CA . 53712 1 666 . 1 . 1 141 141 LYS CB C 13 32.885 . . 1 . . . . . 138 K CB . 53712 1 667 . 1 . 1 141 141 LYS N N 15 119.401 . . 1 . . . . . 138 K N . 53712 1 668 . 1 . 1 142 142 LYS H H 1 7.905 . . 1 . . . . . 139 K H . 53712 1 669 . 1 . 1 142 142 LYS C C 13 178.482 . . 1 . . . . . 139 K C . 53712 1 670 . 1 . 1 142 142 LYS CA C 13 60.058 . . 1 . . . . . 139 K CA . 53712 1 671 . 1 . 1 142 142 LYS CB C 13 31.984 . . 1 . . . . . 139 K CB . 53712 1 672 . 1 . 1 142 142 LYS N N 15 117.696 . . 1 . . . . . 139 K N . 53712 1 673 . 1 . 1 143 143 GLY H H 1 8.042 . . 1 . . . . . 140 G H . 53712 1 674 . 1 . 1 143 143 GLY C C 13 176.354 . . 1 . . . . . 140 G C . 53712 1 675 . 1 . 1 143 143 GLY CA C 13 46.808 . . 1 . . . . . 140 G CA . 53712 1 676 . 1 . 1 143 143 GLY N N 15 104.883 . . 1 . . . . . 140 G N . 53712 1 677 . 1 . 1 144 144 ILE H H 1 7.333 . . 1 . . . . . 141 I H . 53712 1 678 . 1 . 1 144 144 ILE C C 13 177.955 . . 1 . . . . . 141 I C . 53712 1 679 . 1 . 1 144 144 ILE CA C 13 64.637 . . 1 . . . . . 141 I CA . 53712 1 680 . 1 . 1 144 144 ILE CB C 13 38.669 . . 1 . . . . . 141 I CB . 53712 1 681 . 1 . 1 144 144 ILE N N 15 123.018 . . 1 . . . . . 141 I N . 53712 1 682 . 1 . 1 145 145 VAL H H 1 8.459 . . 1 . . . . . 142 V H . 53712 1 683 . 1 . 1 145 145 VAL C C 13 178.041 . . 1 . . . . . 142 V C . 53712 1 684 . 1 . 1 145 145 VAL CA C 13 67.661 . . 1 . . . . . 142 V CA . 53712 1 685 . 1 . 1 145 145 VAL CB C 13 31.520 . . 1 . . . . . 142 V CB . 53712 1 686 . 1 . 1 145 145 VAL N N 15 121.097 . . 1 . . . . . 142 V N . 53712 1 687 . 1 . 1 146 146 ASP H H 1 7.932 . . 1 . . . . . 143 D H . 53712 1 688 . 1 . 1 146 146 ASP C C 13 178.844 . . 1 . . . . . 143 D C . 53712 1 689 . 1 . 1 146 146 ASP CA C 13 57.450 . . 1 . . . . . 143 D CA . 53712 1 690 . 1 . 1 146 146 ASP CB C 13 40.310 . . 1 . . . . . 143 D CB . 53712 1 691 . 1 . 1 146 146 ASP N N 15 118.528 . . 1 . . . . . 143 D N . 53712 1 692 . 1 . 1 147 147 GLN H H 1 7.325 . . 1 . . . . . 144 Q H . 53712 1 693 . 1 . 1 147 147 GLN C C 13 178.864 . . 1 . . . . . 144 Q C . 53712 1 694 . 1 . 1 147 147 GLN CA C 13 58.919 . . 1 . . . . . 144 Q CA . 53712 1 695 . 1 . 1 147 147 GLN CB C 13 27.041 . . 1 . . . . . 144 Q CB . 53712 1 696 . 1 . 1 147 147 GLN N N 15 118.337 . . 1 . . . . . 144 Q N . 53712 1 697 . 1 . 1 148 148 SER H H 1 7.691 . . 1 . . . . . 145 S H . 53712 1 698 . 1 . 1 148 148 SER C C 13 175.028 . . 1 . . . . . 145 S C . 53712 1 699 . 1 . 1 148 148 SER CA C 13 62.209 . . 1 . . . . . 145 S CA . 53712 1 700 . 1 . 1 148 148 SER CB C 13 62.977 . . 1 . . . . . 145 S CB . 53712 1 701 . 1 . 1 148 148 SER N N 15 114.044 . . 1 . . . . . 145 S N . 53712 1 702 . 1 . 1 149 149 GLN H H 1 8.168 . . 1 . . . . . 146 Q H . 53712 1 703 . 1 . 1 149 149 GLN C C 13 177.339 . . 1 . . . . . 146 Q C . 53712 1 704 . 1 . 1 149 149 GLN CA C 13 59.843 . . 1 . . . . . 146 Q CA . 53712 1 705 . 1 . 1 149 149 GLN CB C 13 28.440 . . 1 . . . . . 146 Q CB . 53712 1 706 . 1 . 1 149 149 GLN N N 15 116.072 . . 1 . . . . . 146 Q N . 53712 1 707 . 1 . 1 150 150 GLN H H 1 8.042 . . 1 . . . . . 147 Q H . 53712 1 708 . 1 . 1 150 150 GLN C C 13 178.435 . . 1 . . . . . 147 Q C . 53712 1 709 . 1 . 1 150 150 GLN CA C 13 58.828 . . 1 . . . . . 147 Q CA . 53712 1 710 . 1 . 1 150 150 GLN CB C 13 28.285 . . 1 . . . . . 147 Q CB . 53712 1 711 . 1 . 1 150 150 GLN N N 15 115.634 . . 1 . . . . . 147 Q N . 53712 1 712 . 1 . 1 151 151 ALA H H 1 7.237 . . 1 . . . . . 148 A H . 53712 1 713 . 1 . 1 151 151 ALA C C 13 178.886 . . 1 . . . . . 148 A C . 53712 1 714 . 1 . 1 151 151 ALA CA C 13 55.113 . . 1 . . . . . 148 A CA . 53712 1 715 . 1 . 1 151 151 ALA CB C 13 17.104 . . 1 . . . . . 148 A CB . 53712 1 716 . 1 . 1 151 151 ALA N N 15 122.893 . . 1 . . . . . 148 A N . 53712 1 717 . 1 . 1 152 152 TYR H H 1 7.614 . . 1 . . . . . 149 Y H . 53712 1 718 . 1 . 1 152 152 TYR C C 13 178.212 . . 1 . . . . . 149 Y C . 53712 1 719 . 1 . 1 152 152 TYR CA C 13 59.959 . . 1 . . . . . 149 Y CA . 53712 1 720 . 1 . 1 152 152 TYR CB C 13 35.284 . . 1 . . . . . 149 Y CB . 53712 1 721 . 1 . 1 152 152 TYR N N 15 115.079 . . 1 . . . . . 149 Y N . 53712 1 722 . 1 . 1 153 153 GLN H H 1 8.475 . . 1 . . . . . 150 Q H . 53712 1 723 . 1 . 1 153 153 GLN C C 13 178.325 . . 1 . . . . . 150 Q C . 53712 1 724 . 1 . 1 153 153 GLN CA C 13 59.166 . . 1 . . . . . 150 Q CA . 53712 1 725 . 1 . 1 153 153 GLN CB C 13 28.358 . . 1 . . . . . 150 Q CB . 53712 1 726 . 1 . 1 153 153 GLN N N 15 118.217 . . 1 . . . . . 150 Q N . 53712 1 727 . 1 . 1 154 154 GLU H H 1 8.061 . . 1 . . . . . 151 E H . 53712 1 728 . 1 . 1 154 154 GLU C C 13 179.356 . . 1 . . . . . 151 E C . 53712 1 729 . 1 . 1 154 154 GLU CA C 13 59.612 . . 1 . . . . . 151 E CA . 53712 1 730 . 1 . 1 154 154 GLU CB C 13 29.547 . . 1 . . . . . 151 E CB . 53712 1 731 . 1 . 1 154 154 GLU N N 15 120.756 . . 1 . . . . . 151 E N . 53712 1 732 . 1 . 1 155 155 ALA H H 1 8.098 . . 1 . . . . . 152 A H . 53712 1 733 . 1 . 1 155 155 ALA C C 13 179.166 . . 1 . . . . . 152 A C . 53712 1 734 . 1 . 1 155 155 ALA CA C 13 54.834 . . 1 . . . . . 152 A CA . 53712 1 735 . 1 . 1 155 155 ALA CB C 13 19.082 . . 1 . . . . . 152 A CB . 53712 1 736 . 1 . 1 155 155 ALA N N 15 120.027 . . 1 . . . . . 152 A N . 53712 1 737 . 1 . 1 156 156 PHE H H 1 9.153 . . 1 . . . . . 153 F H . 53712 1 738 . 1 . 1 156 156 PHE C C 13 178.267 . . 1 . . . . . 153 F C . 53712 1 739 . 1 . 1 156 156 PHE CA C 13 60.495 . . 1 . . . . . 153 F CA . 53712 1 740 . 1 . 1 156 156 PHE CB C 13 39.519 . . 1 . . . . . 153 F CB . 53712 1 741 . 1 . 1 156 156 PHE N N 15 120.476 . . 1 . . . . . 153 F N . 53712 1 742 . 1 . 1 157 157 GLU H H 1 8.494 . . 1 . . . . . 154 E H . 53712 1 743 . 1 . 1 157 157 GLU C C 13 179.848 . . 1 . . . . . 154 E C . 53712 1 744 . 1 . 1 157 157 GLU CA C 13 59.524 . . 1 . . . . . 154 E CA . 53712 1 745 . 1 . 1 157 157 GLU CB C 13 29.282 . . 1 . . . . . 154 E CB . 53712 1 746 . 1 . 1 157 157 GLU N N 15 119.261 . . 1 . . . . . 154 E N . 53712 1 747 . 1 . 1 158 158 ILE H H 1 7.607 . . 1 . . . . . 155 I H . 53712 1 748 . 1 . 1 158 158 ILE C C 13 178.618 . . 1 . . . . . 155 I C . 53712 1 749 . 1 . 1 158 158 ILE CA C 13 65.369 . . 1 . . . . . 155 I CA . 53712 1 750 . 1 . 1 158 158 ILE CB C 13 38.587 . . 1 . . . . . 155 I CB . 53712 1 751 . 1 . 1 158 158 ILE N N 15 118.719 . . 1 . . . . . 155 I N . 53712 1 752 . 1 . 1 159 159 SER H H 1 8.505 . . 1 . . . . . 156 S H . 53712 1 753 . 1 . 1 159 159 SER C C 13 175.601 . . 1 . . . . . 156 S C . 53712 1 754 . 1 . 1 159 159 SER CA C 13 62.245 . . 1 . . . . . 156 S CA . 53712 1 755 . 1 . 1 159 159 SER CB C 13 63.285 . . 1 . . . . . 156 S CB . 53712 1 756 . 1 . 1 159 159 SER N N 15 116.415 . . 1 . . . . . 156 S N . 53712 1 757 . 1 . 1 160 160 LYS H H 1 7.635 . . 1 . . . . . 157 K H . 53712 1 758 . 1 . 1 160 160 LYS C C 13 177.706 . . 1 . . . . . 157 K C . 53712 1 759 . 1 . 1 160 160 LYS CA C 13 58.718 . . 1 . . . . . 157 K CA . 53712 1 760 . 1 . 1 160 160 LYS CB C 13 32.074 . . 1 . . . . . 157 K CB . 53712 1 761 . 1 . 1 160 160 LYS N N 15 119.219 . . 1 . . . . . 157 K N . 53712 1 762 . 1 . 1 161 161 LYS H H 1 7.088 . . 1 . . . . . 158 K H . 53712 1 763 . 1 . 1 161 161 LYS C C 13 178.470 . . 1 . . . . . 158 K C . 53712 1 764 . 1 . 1 161 161 LYS CA C 13 57.607 . . 1 . . . . . 158 K CA . 53712 1 765 . 1 . 1 161 161 LYS CB C 13 34.242 . . 1 . . . . . 158 K CB . 53712 1 766 . 1 . 1 161 161 LYS N N 15 116.551 . . 1 . . . . . 158 K N . 53712 1 767 . 1 . 1 162 162 GLU C C 13 176.409 . . 1 . . . . . 159 E C . 53712 1 768 . 1 . 1 162 162 GLU CA C 13 56.549 . . 1 . . . . . 159 E CA . 53712 1 769 . 1 . 1 162 162 GLU CB C 13 32.339 . . 1 . . . . . 159 E CB . 53712 1 770 . 1 . 1 163 163 MET H H 1 7.874 . . 1 . . . . . 160 M H . 53712 1 771 . 1 . 1 163 163 MET C C 13 175.187 . . 1 . . . . . 160 M C . 53712 1 772 . 1 . 1 163 163 MET CA C 13 54.450 . . 1 . . . . . 160 M CA . 53712 1 773 . 1 . 1 163 163 MET CB C 13 36.267 . . 1 . . . . . 160 M CB . 53712 1 774 . 1 . 1 163 163 MET N N 15 116.657 . . 1 . . . . . 160 M N . 53712 1 775 . 1 . 1 164 164 GLN H H 1 9.166 . . 1 . . . . . 161 Q H . 53712 1 776 . 1 . 1 164 164 GLN C C 13 176.271 . . 1 . . . . . 161 Q C . 53712 1 777 . 1 . 1 164 164 GLN CA C 13 54.742 . . 1 . . . . . 161 Q CA . 53712 1 778 . 1 . 1 164 164 GLN CB C 13 28.185 . . 1 . . . . . 161 Q CB . 53712 1 779 . 1 . 1 164 164 GLN N N 15 122.657 . . 1 . . . . . 161 Q N . 53712 1 780 . 1 . 1 165 165 PRO C C 13 175.617 . . 1 . . . . . 162 P C . 53712 1 781 . 1 . 1 165 165 PRO CA C 13 65.049 . . 1 . . . . . 162 P CA . 53712 1 782 . 1 . 1 165 165 PRO CB C 13 32.622 . . 1 . . . . . 162 P CB . 53712 1 783 . 1 . 1 166 166 THR H H 1 6.801 . . 1 . . . . . 163 T H . 53712 1 784 . 1 . 1 166 166 THR C C 13 173.678 . . 1 . . . . . 163 T C . 53712 1 785 . 1 . 1 166 166 THR CA C 13 60.349 . . 1 . . . . . 163 T CA . 53712 1 786 . 1 . 1 166 166 THR CB C 13 69.169 . . 1 . . . . . 163 T CB . 53712 1 787 . 1 . 1 166 166 THR N N 15 129.664 . . 1 . . . . . 163 T N . 53712 1 788 . 1 . 1 167 167 HIS H H 1 7.947 . . 1 . . . . . 164 H H . 53712 1 789 . 1 . 1 167 167 HIS C C 13 175.799 . . 1 . . . . . 164 H C . 53712 1 790 . 1 . 1 167 167 HIS CA C 13 56.773 . . 1 . . . . . 164 H CA . 53712 1 791 . 1 . 1 167 167 HIS CB C 13 32.454 . . 1 . . . . . 164 H CB . 53712 1 792 . 1 . 1 167 167 HIS N N 15 126.650 . . 1 . . . . . 164 H N . 53712 1 793 . 1 . 1 169 169 ILE C C 13 177.875 . . 1 . . . . . 166 I C . 53712 1 794 . 1 . 1 169 169 ILE CA C 13 64.671 . . 1 . . . . . 166 I CA . 53712 1 795 . 1 . 1 170 170 ARG H H 1 6.804 . . 1 . . . . . 167 R H . 53712 1 796 . 1 . 1 170 170 ARG C C 13 178.142 . . 1 . . . . . 167 R C . 53712 1 797 . 1 . 1 170 170 ARG CA C 13 60.120 . . 1 . . . . . 167 R CA . 53712 1 798 . 1 . 1 170 170 ARG CB C 13 30.316 . . 1 . . . . . 167 R CB . 53712 1 799 . 1 . 1 170 170 ARG N N 15 121.626 . . 1 . . . . . 167 R N . 53712 1 800 . 1 . 1 171 171 LEU H H 1 8.548 . . 1 . . . . . 168 L H . 53712 1 801 . 1 . 1 171 171 LEU C C 13 178.419 . . 1 . . . . . 168 L C . 53712 1 802 . 1 . 1 171 171 LEU CA C 13 58.045 . . 1 . . . . . 168 L CA . 53712 1 803 . 1 . 1 171 171 LEU CB C 13 42.829 . . 1 . . . . . 168 L CB . 53712 1 804 . 1 . 1 171 171 LEU N N 15 119.332 . . 1 . . . . . 168 L N . 53712 1 805 . 1 . 1 172 172 GLY H H 1 8.537 . . 1 . . . . . 169 G H . 53712 1 806 . 1 . 1 172 172 GLY C C 13 175.971 . . 1 . . . . . 169 G C . 53712 1 807 . 1 . 1 172 172 GLY CA C 13 46.720 . . 1 . . . . . 169 G CA . 53712 1 808 . 1 . 1 172 172 GLY N N 15 107.078 . . 1 . . . . . 169 G N . 53712 1 809 . 1 . 1 173 173 LEU H H 1 7.942 . . 1 . . . . . 170 L H . 53712 1 810 . 1 . 1 173 173 LEU C C 13 176.587 . . 1 . . . . . 170 L C . 53712 1 811 . 1 . 1 173 173 LEU CA C 13 58.004 . . 1 . . . . . 170 L CA . 53712 1 812 . 1 . 1 173 173 LEU CB C 13 41.047 . . 1 . . . . . 170 L CB . 53712 1 813 . 1 . 1 173 173 LEU N N 15 122.748 . . 1 . . . . . 170 L N . 53712 1 814 . 1 . 1 174 174 ALA H H 1 8.078 . . 1 . . . . . 171 A H . 53712 1 815 . 1 . 1 174 174 ALA C C 13 180.058 . . 1 . . . . . 171 A C . 53712 1 816 . 1 . 1 174 174 ALA CA C 13 55.756 . . 1 . . . . . 171 A CA . 53712 1 817 . 1 . 1 174 174 ALA CB C 13 17.712 . . 1 . . . . . 171 A CB . 53712 1 818 . 1 . 1 174 174 ALA N N 15 121.670 . . 1 . . . . . 171 A N . 53712 1 819 . 1 . 1 175 175 LEU H H 1 8.421 . . 1 . . . . . 172 L H . 53712 1 820 . 1 . 1 175 175 LEU C C 13 177.444 . . 1 . . . . . 172 L C . 53712 1 821 . 1 . 1 175 175 LEU CA C 13 58.595 . . 1 . . . . . 172 L CA . 53712 1 822 . 1 . 1 175 175 LEU CB C 13 41.557 . . 1 . . . . . 172 L CB . 53712 1 823 . 1 . 1 175 175 LEU N N 15 118.607 . . 1 . . . . . 172 L N . 53712 1 824 . 1 . 1 182 182 TYR C C 13 176.791 . . 1 . . . . . 179 Y C . 53712 1 825 . 1 . 1 182 182 TYR CA C 13 62.601 . . 1 . . . . . 179 Y CA . 53712 1 826 . 1 . 1 183 183 GLU H H 1 9.275 . . 1 . . . . . 180 E H . 53712 1 827 . 1 . 1 183 183 GLU C C 13 177.295 . . 1 . . . . . 180 E C . 53712 1 828 . 1 . 1 183 183 GLU CA C 13 58.545 . . 1 . . . . . 180 E CA . 53712 1 829 . 1 . 1 183 183 GLU CB C 13 30.866 . . 1 . . . . . 180 E CB . 53712 1 830 . 1 . 1 183 183 GLU N N 15 114.834 . . 1 . . . . . 180 E N . 53712 1 831 . 1 . 1 184 184 ILE H H 1 7.784 . . 1 . . . . . 181 I H . 53712 1 832 . 1 . 1 184 184 ILE C C 13 177.310 . . 1 . . . . . 181 I C . 53712 1 833 . 1 . 1 184 184 ILE CA C 13 59.348 . . 1 . . . . . 181 I CA . 53712 1 834 . 1 . 1 184 184 ILE CB C 13 34.021 . . 1 . . . . . 181 I CB . 53712 1 835 . 1 . 1 184 184 ILE N N 15 116.044 . . 1 . . . . . 181 I N . 53712 1 836 . 1 . 1 185 185 LEU H H 1 6.602 . . 1 . . . . . 182 L H . 53712 1 837 . 1 . 1 185 185 LEU C C 13 176.742 . . 1 . . . . . 182 L C . 53712 1 838 . 1 . 1 185 185 LEU CA C 13 54.122 . . 1 . . . . . 182 L CA . 53712 1 839 . 1 . 1 185 185 LEU CB C 13 41.765 . . 1 . . . . . 182 L CB . 53712 1 840 . 1 . 1 185 185 LEU N N 15 115.737 . . 1 . . . . . 182 L N . 53712 1 841 . 1 . 1 186 186 ASN H H 1 6.590 . . 1 . . . . . 183 N H . 53712 1 842 . 1 . 1 186 186 ASN C C 13 173.911 . . 1 . . . . . 183 N C . 53712 1 843 . 1 . 1 186 186 ASN CA C 13 53.713 . . 1 . . . . . 183 N CA . 53712 1 844 . 1 . 1 186 186 ASN CB C 13 37.121 . . 1 . . . . . 183 N CB . 53712 1 845 . 1 . 1 186 186 ASN N N 15 114.742 . . 1 . . . . . 183 N N . 53712 1 846 . 1 . 1 187 187 SER H H 1 8.189 . . 1 . . . . . 184 S H . 53712 1 847 . 1 . 1 187 187 SER CA C 13 54.027 . . 1 . . . . . 184 S CA . 53712 1 848 . 1 . 1 187 187 SER CB C 13 63.063 . . 1 . . . . . 184 S CB . 53712 1 849 . 1 . 1 187 187 SER N N 15 110.700 . . 1 . . . . . 184 S N . 53712 1 850 . 1 . 1 188 188 PRO C C 13 177.887 . . 1 . . . . . 185 P C . 53712 1 851 . 1 . 1 188 188 PRO CA C 13 65.061 . . 1 . . . . . 185 P CA . 53712 1 852 . 1 . 1 189 189 GLU H H 1 8.650 . . 1 . . . . . 186 E H . 53712 1 853 . 1 . 1 189 189 GLU C C 13 179.513 . . 1 . . . . . 186 E C . 53712 1 854 . 1 . 1 189 189 GLU CA C 13 59.885 . . 1 . . . . . 186 E CA . 53712 1 855 . 1 . 1 189 189 GLU N N 15 117.406 . . 1 . . . . . 186 E N . 53712 1 856 . 1 . 1 190 190 LYS H H 1 7.278 . . 1 . . . . . 187 K H . 53712 1 857 . 1 . 1 190 190 LYS C C 13 178.730 . . 1 . . . . . 187 K C . 53712 1 858 . 1 . 1 190 190 LYS CA C 13 58.644 . . 1 . . . . . 187 K CA . 53712 1 859 . 1 . 1 190 190 LYS CB C 13 31.306 . . 1 . . . . . 187 K CB . 53712 1 860 . 1 . 1 190 190 LYS N N 15 120.415 . . 1 . . . . . 187 K N . 53712 1 861 . 1 . 1 191 191 ALA H H 1 7.480 . . 1 . . . . . 188 A H . 53712 1 862 . 1 . 1 191 191 ALA C C 13 178.477 . . 1 . . . . . 188 A C . 53712 1 863 . 1 . 1 191 191 ALA CA C 13 55.462 . . 1 . . . . . 188 A CA . 53712 1 864 . 1 . 1 191 191 ALA CB C 13 20.036 . . 1 . . . . . 188 A CB . 53712 1 865 . 1 . 1 191 191 ALA N N 15 121.313 . . 1 . . . . . 188 A N . 53712 1 866 . 1 . 1 192 192 ALA H H 1 8.372 . . 1 . . . . . 189 A H . 53712 1 867 . 1 . 1 192 192 ALA C C 13 179.269 . . 1 . . . . . 189 A C . 53712 1 868 . 1 . 1 192 192 ALA CA C 13 55.131 . . 1 . . . . . 189 A CA . 53712 1 869 . 1 . 1 192 192 ALA CB C 13 18.113 . . 1 . . . . . 189 A CB . 53712 1 870 . 1 . 1 192 192 ALA N N 15 117.785 . . 1 . . . . . 189 A N . 53712 1 871 . 1 . 1 193 193 SER H H 1 7.684 . . 1 . . . . . 190 S H . 53712 1 872 . 1 . 1 193 193 SER C C 13 177.098 . . 1 . . . . . 190 S C . 53712 1 873 . 1 . 1 193 193 SER CA C 13 61.431 . . 1 . . . . . 190 S CA . 53712 1 874 . 1 . 1 193 193 SER CB C 13 62.865 . . 1 . . . . . 190 S CB . 53712 1 875 . 1 . 1 193 193 SER N N 15 112.295 . . 1 . . . . . 190 S N . 53712 1 876 . 1 . 1 194 194 LEU H H 1 7.560 . . 1 . . . . . 191 L H . 53712 1 877 . 1 . 1 194 194 LEU CA C 13 58.564 . . 1 . . . . . 191 L CA . 53712 1 878 . 1 . 1 194 194 LEU CB C 13 41.796 . . 1 . . . . . 191 L CB . 53712 1 879 . 1 . 1 194 194 LEU N N 15 123.169 . . 1 . . . . . 191 L N . 53712 1 880 . 1 . 1 195 195 ALA C C 13 178.602 . . 1 . . . . . 192 A C . 53712 1 881 . 1 . 1 195 195 ALA CA C 13 55.620 . . 1 . . . . . 192 A CA . 53712 1 882 . 1 . 1 196 196 LYS H H 1 8.757 . . 1 . . . . . 193 K H . 53712 1 883 . 1 . 1 196 196 LYS C C 13 177.957 . . 1 . . . . . 193 K C . 53712 1 884 . 1 . 1 196 196 LYS CA C 13 59.600 . . 1 . . . . . 193 K CA . 53712 1 885 . 1 . 1 196 196 LYS CB C 13 32.712 . . 1 . . . . . 193 K CB . 53712 1 886 . 1 . 1 196 196 LYS N N 15 117.596 . . 1 . . . . . 193 K N . 53712 1 887 . 1 . 1 197 197 THR H H 1 7.843 . . 1 . . . . . 194 T H . 53712 1 888 . 1 . 1 197 197 THR C C 13 175.888 . . 1 . . . . . 194 T C . 53712 1 889 . 1 . 1 197 197 THR CA C 13 66.923 . . 1 . . . . . 194 T CA . 53712 1 890 . 1 . 1 197 197 THR CB C 13 69.031 . . 1 . . . . . 194 T CB . 53712 1 891 . 1 . 1 197 197 THR N N 15 114.467 . . 1 . . . . . 194 T N . 53712 1 892 . 1 . 1 198 198 ALA H H 1 7.849 . . 1 . . . . . 195 A H . 53712 1 893 . 1 . 1 198 198 ALA C C 13 180.109 . . 1 . . . . . 195 A C . 53712 1 894 . 1 . 1 198 198 ALA CA C 13 54.970 . . 1 . . . . . 195 A CA . 53712 1 895 . 1 . 1 198 198 ALA CB C 13 18.835 . . 1 . . . . . 195 A CB . 53712 1 896 . 1 . 1 198 198 ALA N N 15 122.054 . . 1 . . . . . 195 A N . 53712 1 897 . 1 . 1 199 199 PHE H H 1 8.502 . . 1 . . . . . 196 F H . 53712 1 898 . 1 . 1 199 199 PHE C C 13 176.259 . . 1 . . . . . 196 F C . 53712 1 899 . 1 . 1 199 199 PHE CA C 13 62.455 . . 1 . . . . . 196 F CA . 53712 1 900 . 1 . 1 199 199 PHE CB C 13 40.141 . . 1 . . . . . 196 F CB . 53712 1 901 . 1 . 1 199 199 PHE N N 15 119.422 . . 1 . . . . . 196 F N . 53712 1 902 . 1 . 1 200 200 ASP H H 1 9.093 . . 1 . . . . . 197 D H . 53712 1 903 . 1 . 1 200 200 ASP C C 13 180.287 . . 1 . . . . . 197 D C . 53712 1 904 . 1 . 1 200 200 ASP CA C 13 57.248 . . 1 . . . . . 197 D CA . 53712 1 905 . 1 . 1 200 200 ASP CB C 13 39.733 . . 1 . . . . . 197 D CB . 53712 1 906 . 1 . 1 200 200 ASP N N 15 119.792 . . 1 . . . . . 197 D N . 53712 1 907 . 1 . 1 201 201 GLU H H 1 8.371 . . 1 . . . . . 198 E H . 53712 1 908 . 1 . 1 201 201 GLU C C 13 178.419 . . 1 . . . . . 198 E C . 53712 1 909 . 1 . 1 201 201 GLU CA C 13 59.356 . . 1 . . . . . 198 E CA . 53712 1 910 . 1 . 1 201 201 GLU CB C 13 29.763 . . 1 . . . . . 198 E CB . 53712 1 911 . 1 . 1 201 201 GLU N N 15 118.913 . . 1 . . . . . 198 E N . 53712 1 912 . 1 . 1 202 202 ALA H H 1 7.314 . . 1 . . . . . 199 A H . 53712 1 913 . 1 . 1 202 202 ALA C C 13 179.125 . . 1 . . . . . 199 A C . 53712 1 914 . 1 . 1 202 202 ALA CA C 13 54.636 . . 1 . . . . . 199 A CA . 53712 1 915 . 1 . 1 202 202 ALA CB C 13 19.150 . . 1 . . . . . 199 A CB . 53712 1 916 . 1 . 1 202 202 ALA N N 15 120.288 . . 1 . . . . . 199 A N . 53712 1 917 . 1 . 1 203 203 ILE H H 1 8.250 . . 1 . . . . . 200 I H . 53712 1 918 . 1 . 1 203 203 ILE C C 13 177.808 . . 1 . . . . . 200 I C . 53712 1 919 . 1 . 1 203 203 ILE CA C 13 62.472 . . 1 . . . . . 200 I CA . 53712 1 920 . 1 . 1 203 203 ILE CB C 13 36.502 . . 1 . . . . . 200 I CB . 53712 1 921 . 1 . 1 203 203 ILE N N 15 117.693 . . 1 . . . . . 200 I N . 53712 1 922 . 1 . 1 204 204 ALA H H 1 7.206 . . 1 . . . . . 201 A H . 53712 1 923 . 1 . 1 204 204 ALA C C 13 178.672 . . 1 . . . . . 201 A C . 53712 1 924 . 1 . 1 204 204 ALA CA C 13 54.024 . . 1 . . . . . 201 A CA . 53712 1 925 . 1 . 1 204 204 ALA CB C 13 18.637 . . 1 . . . . . 201 A CB . 53712 1 926 . 1 . 1 204 204 ALA N N 15 120.584 . . 1 . . . . . 201 A N . 53712 1 927 . 1 . 1 205 205 GLU H H 1 7.224 . . 1 . . . . . 202 E H . 53712 1 928 . 1 . 1 205 205 GLU C C 13 177.444 . . 1 . . . . . 202 E C . 53712 1 929 . 1 . 1 205 205 GLU CA C 13 55.377 . . 1 . . . . . 202 E CA . 53712 1 930 . 1 . 1 205 205 GLU CB C 13 30.587 . . 1 . . . . . 202 E CB . 53712 1 931 . 1 . 1 205 205 GLU N N 15 114.856 . . 1 . . . . . 202 E N . 53712 1 932 . 1 . 1 206 206 LEU H H 1 7.444 . . 1 . . . . . 203 L H . 53712 1 933 . 1 . 1 206 206 LEU C C 13 177.935 . . 1 . . . . . 203 L C . 53712 1 934 . 1 . 1 206 206 LEU CA C 13 58.045 . . 1 . . . . . 203 L CA . 53712 1 935 . 1 . 1 206 206 LEU CB C 13 42.489 . . 1 . . . . . 203 L CB . 53712 1 936 . 1 . 1 206 206 LEU N N 15 123.010 . . 1 . . . . . 203 L N . 53712 1 937 . 1 . 1 207 207 ASP H H 1 8.307 . . 1 . . . . . 204 D H . 53712 1 938 . 1 . 1 207 207 ASP C C 13 177.050 . . 1 . . . . . 204 D C . 53712 1 939 . 1 . 1 207 207 ASP CA C 13 56.106 . . 1 . . . . . 204 D CA . 53712 1 940 . 1 . 1 207 207 ASP CB C 13 40.236 . . 1 . . . . . 204 D CB . 53712 1 941 . 1 . 1 207 207 ASP N N 15 115.661 . . 1 . . . . . 204 D N . 53712 1 942 . 1 . 1 208 208 THR H H 1 7.705 . . 1 . . . . . 205 T H . 53712 1 943 . 1 . 1 208 208 THR C C 13 174.944 . . 1 . . . . . 205 T C . 53712 1 944 . 1 . 1 208 208 THR CA C 13 61.934 . . 1 . . . . . 205 T CA . 53712 1 945 . 1 . 1 208 208 THR CB C 13 69.932 . . 1 . . . . . 205 T CB . 53712 1 946 . 1 . 1 208 208 THR N N 15 108.890 . . 1 . . . . . 205 T N . 53712 1 947 . 1 . 1 209 209 LEU H H 1 7.412 . . 1 . . . . . 206 L H . 53712 1 948 . 1 . 1 209 209 LEU C C 13 177.015 . . 1 . . . . . 206 L C . 53712 1 949 . 1 . 1 209 209 LEU CA C 13 55.158 . . 1 . . . . . 206 L CA . 53712 1 950 . 1 . 1 209 209 LEU CB C 13 43.152 . . 1 . . . . . 206 L CB . 53712 1 951 . 1 . 1 209 209 LEU N N 15 123.150 . . 1 . . . . . 206 L N . 53712 1 952 . 1 . 1 210 210 SER H H 1 8.317 . . 1 . . . . . 207 S H . 53712 1 953 . 1 . 1 210 210 SER C C 13 174.781 . . 1 . . . . . 207 S C . 53712 1 954 . 1 . 1 210 210 SER CA C 13 57.738 . . 1 . . . . . 207 S CA . 53712 1 955 . 1 . 1 210 210 SER CB C 13 64.364 . . 1 . . . . . 207 S CB . 53712 1 956 . 1 . 1 210 210 SER N N 15 118.262 . . 1 . . . . . 207 S N . 53712 1 957 . 1 . 1 211 211 GLU H H 1 8.660 . . 1 . . . . . 208 E H . 53712 1 958 . 1 . 1 211 211 GLU C C 13 178.277 . . 1 . . . . . 208 E C . 53712 1 959 . 1 . 1 211 211 GLU CA C 13 59.399 . . 1 . . . . . 208 E CA . 53712 1 960 . 1 . 1 211 211 GLU CB C 13 29.684 . . 1 . . . . . 208 E CB . 53712 1 961 . 1 . 1 211 211 GLU N N 15 122.189 . . 1 . . . . . 208 E N . 53712 1 962 . 1 . 1 212 212 GLU H H 1 8.651 . . 1 . . . . . 209 E H . 53712 1 963 . 1 . 1 212 212 GLU C C 13 177.893 . . 1 . . . . . 209 E C . 53712 1 964 . 1 . 1 212 212 GLU CA C 13 59.042 . . 1 . . . . . 209 E CA . 53712 1 965 . 1 . 1 212 212 GLU CB C 13 29.224 . . 1 . . . . . 209 E CB . 53712 1 966 . 1 . 1 212 212 GLU N N 15 118.568 . . 1 . . . . . 209 E N . 53712 1 967 . 1 . 1 213 213 SER H H 1 7.687 . . 1 . . . . . 210 S H . 53712 1 968 . 1 . 1 213 213 SER C C 13 174.824 . . 1 . . . . . 210 S C . 53712 1 969 . 1 . 1 213 213 SER CA C 13 59.683 . . 1 . . . . . 210 S CA . 53712 1 970 . 1 . 1 213 213 SER CB C 13 63.955 . . 1 . . . . . 210 S CB . 53712 1 971 . 1 . 1 213 213 SER N N 15 114.432 . . 1 . . . . . 210 S N . 53712 1 972 . 1 . 1 214 214 TYR H H 1 8.142 . . 1 . . . . . 211 Y H . 53712 1 973 . 1 . 1 214 214 TYR C C 13 177.801 . . 1 . . . . . 211 Y C . 53712 1 974 . 1 . 1 214 214 TYR CA C 13 60.966 . . 1 . . . . . 211 Y CA . 53712 1 975 . 1 . 1 214 214 TYR CB C 13 38.697 . . 1 . . . . . 211 Y CB . 53712 1 976 . 1 . 1 214 214 TYR N N 15 122.037 . . 1 . . . . . 211 Y N . 53712 1 977 . 1 . 1 215 215 LYS H H 1 8.237 . . 1 . . . . . 212 K H . 53712 1 978 . 1 . 1 215 215 LYS C C 13 178.050 . . 1 . . . . . 212 K C . 53712 1 979 . 1 . 1 215 215 LYS CA C 13 59.821 . . 1 . . . . . 212 K CA . 53712 1 980 . 1 . 1 215 215 LYS CB C 13 31.895 . . 1 . . . . . 212 K CB . 53712 1 981 . 1 . 1 215 215 LYS N N 15 121.361 . . 1 . . . . . 212 K N . 53712 1 982 . 1 . 1 216 216 ASP H H 1 8.031 . . 1 . . . . . 213 D H . 53712 1 983 . 1 . 1 216 216 ASP C C 13 178.855 . . 1 . . . . . 213 D C . 53712 1 984 . 1 . 1 216 216 ASP CA C 13 57.110 . . 1 . . . . . 213 D CA . 53712 1 985 . 1 . 1 216 216 ASP CB C 13 40.397 . . 1 . . . . . 213 D CB . 53712 1 986 . 1 . 1 216 216 ASP N N 15 118.257 . . 1 . . . . . 213 D N . 53712 1 987 . 1 . 1 217 217 SER H H 1 8.275 . . 1 . . . . . 214 S H . 53712 1 988 . 1 . 1 217 217 SER C C 13 176.040 . . 1 . . . . . 214 S C . 53712 1 989 . 1 . 1 217 217 SER CA C 13 63.144 . . 1 . . . . . 214 S CA . 53712 1 990 . 1 . 1 217 217 SER CB C 13 67.429 . . 1 . . . . . 214 S CB . 53712 1 991 . 1 . 1 217 217 SER N N 15 114.862 . . 1 . . . . . 214 S N . 53712 1 992 . 1 . 1 218 218 THR H H 1 8.088 . . 1 . . . . . 215 T H . 53712 1 993 . 1 . 1 218 218 THR C C 13 177.077 . . 1 . . . . . 215 T C . 53712 1 994 . 1 . 1 218 218 THR CA C 13 66.406 . . 1 . . . . . 215 T CA . 53712 1 995 . 1 . 1 218 218 THR CB C 13 68.558 . . 1 . . . . . 215 T CB . 53712 1 996 . 1 . 1 218 218 THR N N 15 114.563 . . 1 . . . . . 215 T N . 53712 1 997 . 1 . 1 219 219 LEU H H 1 7.535 . . 1 . . . . . 216 L H . 53712 1 998 . 1 . 1 219 219 LEU C C 13 179.072 . . 1 . . . . . 216 L C . 53712 1 999 . 1 . 1 219 219 LEU CA C 13 58.548 . . 1 . . . . . 216 L CA . 53712 1 1000 . 1 . 1 219 219 LEU CB C 13 41.904 . . 1 . . . . . 216 L CB . 53712 1 1001 . 1 . 1 219 219 LEU N N 15 123.410 . . 1 . . . . . 216 L N . 53712 1 1002 . 1 . 1 220 220 ILE H H 1 7.256 . . 1 . . . . . 217 I H . 53712 1 1003 . 1 . 1 220 220 ILE C C 13 178.458 . . 1 . . . . . 217 I C . 53712 1 1004 . 1 . 1 220 220 ILE CA C 13 64.490 . . 1 . . . . . 217 I CA . 53712 1 1005 . 1 . 1 220 220 ILE CB C 13 38.795 . . 1 . . . . . 217 I CB . 53712 1 1006 . 1 . 1 220 220 ILE N N 15 117.602 . . 1 . . . . . 217 I N . 53712 1 1007 . 1 . 1 221 221 MET H H 1 8.311 . . 1 . . . . . 218 M H . 53712 1 1008 . 1 . 1 221 221 MET C C 13 177.614 . . 1 . . . . . 218 M C . 53712 1 1009 . 1 . 1 221 221 MET N N 15 118.457 . . 1 . . . . . 218 M N . 53712 1 1010 . 1 . 1 222 222 GLN H H 1 7.795 . . 1 . . . . . 219 Q H . 53712 1 1011 . 1 . 1 222 222 GLN C C 13 177.333 . . 1 . . . . . 219 Q C . 53712 1 1012 . 1 . 1 222 222 GLN CA C 13 58.801 . . 1 . . . . . 219 Q CA . 53712 1 1013 . 1 . 1 222 222 GLN CB C 13 33.923 . . 1 . . . . . 219 Q CB . 53712 1 1014 . 1 . 1 222 222 GLN N N 15 118.174 . . 1 . . . . . 219 Q N . 53712 1 1015 . 1 . 1 223 223 LEU H H 1 7.447 . . 1 . . . . . 220 L H . 53712 1 1016 . 1 . 1 223 223 LEU CA C 13 57.878 . . 1 . . . . . 220 L CA . 53712 1 1017 . 1 . 1 223 223 LEU CB C 13 41.665 . . 1 . . . . . 220 L CB . 53712 1 1018 . 1 . 1 223 223 LEU N N 15 119.424 . . 1 . . . . . 220 L N . 53712 1 1019 . 1 . 1 225 225 ARG C C 13 178.753 . . 1 . . . . . 222 R C . 53712 1 1020 . 1 . 1 225 225 ARG CA C 13 58.882 . . 1 . . . . . 222 R CA . 53712 1 1021 . 1 . 1 226 226 ASP H H 1 8.637 . . 1 . . . . . 223 D H . 53712 1 1022 . 1 . 1 226 226 ASP C C 13 179.197 . . 1 . . . . . 223 D C . 53712 1 1023 . 1 . 1 226 226 ASP CA C 13 57.310 . . 1 . . . . . 223 D CA . 53712 1 1024 . 1 . 1 226 226 ASP CB C 13 39.697 . . 1 . . . . . 223 D CB . 53712 1 1025 . 1 . 1 226 226 ASP N N 15 121.211 . . 1 . . . . . 223 D N . 53712 1 1026 . 1 . 1 227 227 ASN H H 1 7.551 . . 1 . . . . . 224 N H . 53712 1 1027 . 1 . 1 227 227 ASN C C 13 175.245 . . 1 . . . . . 224 N C . 53712 1 1028 . 1 . 1 227 227 ASN CA C 13 55.139 . . 1 . . . . . 224 N CA . 53712 1 1029 . 1 . 1 227 227 ASN CB C 13 36.311 . . 1 . . . . . 224 N CB . 53712 1 1030 . 1 . 1 227 227 ASN N N 15 119.966 . . 1 . . . . . 224 N N . 53712 1 1031 . 1 . 1 228 228 LEU H H 1 7.799 . . 1 . . . . . 225 L H . 53712 1 1032 . 1 . 1 228 228 LEU C C 13 179.615 . . 1 . . . . . 225 L C . 53712 1 1033 . 1 . 1 228 228 LEU CA C 13 58.580 . . 1 . . . . . 225 L CA . 53712 1 1034 . 1 . 1 228 228 LEU N N 15 118.974 . . 1 . . . . . 225 L N . 53712 1 1035 . 1 . 1 229 229 THR H H 1 7.837 . . 1 . . . . . 226 T H . 53712 1 1036 . 1 . 1 229 229 THR C C 13 175.698 . . 1 . . . . . 226 T C . 53712 1 1037 . 1 . 1 229 229 THR CA C 13 66.322 . . 1 . . . . . 226 T CA . 53712 1 1038 . 1 . 1 229 229 THR CB C 13 68.686 . . 1 . . . . . 226 T CB . 53712 1 1039 . 1 . 1 229 229 THR N N 15 116.023 . . 1 . . . . . 226 T N . 53712 1 1040 . 1 . 1 230 230 LEU H H 1 7.100 . . 1 . . . . . 227 L H . 53712 1 1041 . 1 . 1 230 230 LEU C C 13 179.826 . . 1 . . . . . 227 L C . 53712 1 1042 . 1 . 1 230 230 LEU CA C 13 57.707 . . 1 . . . . . 227 L CA . 53712 1 1043 . 1 . 1 230 230 LEU CB C 13 41.545 . . 1 . . . . . 227 L CB . 53712 1 1044 . 1 . 1 230 230 LEU N N 15 122.799 . . 1 . . . . . 227 L N . 53712 1 1045 . 1 . 1 231 231 TRP H H 1 8.419 . . 1 . . . . . 228 W H . 53712 1 1046 . 1 . 1 231 231 TRP C C 13 177.789 . . 1 . . . . . 228 W C . 53712 1 1047 . 1 . 1 231 231 TRP CA C 13 56.658 . . 1 . . . . . 228 W CA . 53712 1 1048 . 1 . 1 231 231 TRP CB C 13 27.657 . . 1 . . . . . 228 W CB . 53712 1 1049 . 1 . 1 231 231 TRP N N 15 118.202 . . 1 . . . . . 228 W N . 53712 1 1050 . 1 . 1 232 232 THR H H 1 7.712 . . 1 . . . . . 229 T H . 53712 1 1051 . 1 . 1 232 232 THR C C 13 174.698 . . 1 . . . . . 229 T C . 53712 1 1052 . 1 . 1 232 232 THR CA C 13 62.019 . . 1 . . . . . 229 T CA . 53712 1 1053 . 1 . 1 232 232 THR CB C 13 70.152 . . 1 . . . . . 229 T CB . 53712 1 1054 . 1 . 1 232 232 THR N N 15 108.659 . . 1 . . . . . 229 T N . 53712 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53712 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chemical_shifts_residues(229-245) _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 8 '2D 1H-15N TROSY' . . . 53712 2 9 '3D HNCA' . . . 53712 2 10 '3D HN(CO)CA' . . . 53712 2 11 '3D HNCACB' . . . 53712 2 12 '3D CBCA(CO)NH' . . . 53712 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53712 2 2 $software_2 . . 53712 2 3 $software_3 . . 53712 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 232 232 THR H H 1 7.720 . . 1 . . . . . 229 T H . 53712 2 2 . 2 . 2 232 232 THR CA C 13 62.059 . . 1 . . . . . 229 T CA . 53712 2 3 . 2 . 2 232 232 THR CB C 13 69.977 . . 1 . . . . . 229 T CB . 53712 2 4 . 2 . 2 232 232 THR N N 15 108.926 . . 1 . . . . . 229 T N . 53712 2 5 . 2 . 2 233 233 SER H H 1 7.701 . . 1 . . . . . 230 S H . 53712 2 6 . 2 . 2 233 233 SER CA C 13 59.242 . . 1 . . . . . 230 S CA . 53712 2 7 . 2 . 2 233 233 SER CB C 13 63.869 . . 1 . . . . . 230 S CB . 53712 2 8 . 2 . 2 233 233 SER N N 15 117.741 . . 1 . . . . . 230 S N . 53712 2 9 . 2 . 2 234 234 ASP H H 1 8.301 . . 1 . . . . . 231 D H . 53712 2 10 . 2 . 2 234 234 ASP CA C 13 54.604 . . 1 . . . . . 231 D CA . 53712 2 11 . 2 . 2 234 234 ASP CB C 13 41.081 . . 1 . . . . . 231 D CB . 53712 2 12 . 2 . 2 234 234 ASP N N 15 122.377 . . 1 . . . . . 231 D N . 53712 2 13 . 2 . 2 235 235 THR H H 1 7.975 . . 1 . . . . . 232 T H . 53712 2 14 . 2 . 2 235 235 THR CA C 13 61.835 . . 1 . . . . . 232 T CA . 53712 2 15 . 2 . 2 235 235 THR CB C 13 69.700 . . 1 . . . . . 232 T CB . 53712 2 16 . 2 . 2 235 235 THR N N 15 113.608 . . 1 . . . . . 232 T N . 53712 2 17 . 2 . 2 236 236 GLN H H 1 8.301 . . 1 . . . . . 233 Q H . 53712 2 18 . 2 . 2 236 236 GLN CA C 13 56.086 . . 1 . . . . . 233 Q CA . 53712 2 19 . 2 . 2 236 236 GLN CB C 13 29.356 . . 1 . . . . . 233 Q CB . 53712 2 20 . 2 . 2 236 236 GLN N N 15 122.404 . . 1 . . . . . 233 Q N . 53712 2 21 . 2 . 2 237 237 GLY H H 1 8.309 . . 1 . . . . . 234 G H . 53712 2 22 . 2 . 2 237 237 GLY CA C 13 45.246 . . 1 . . . . . 234 G CA . 53712 2 23 . 2 . 2 237 237 GLY N N 15 110.034 . . 1 . . . . . 234 G N . 53712 2 24 . 2 . 2 238 238 ASP H H 1 8.248 . . 1 . . . . . 235 D H . 53712 2 25 . 2 . 2 238 238 ASP CA C 13 54.383 . . 1 . . . . . 235 D CA . 53712 2 26 . 2 . 2 238 238 ASP CB C 13 41.275 . . 1 . . . . . 235 D CB . 53712 2 27 . 2 . 2 238 238 ASP N N 15 120.981 . . 1 . . . . . 235 D N . 53712 2 28 . 2 . 2 239 239 GLU H H 1 8.362 . . 1 . . . . . 236 E H . 53712 2 29 . 2 . 2 239 239 GLU CA C 13 56.803 . . 1 . . . . . 236 E CA . 53712 2 30 . 2 . 2 239 239 GLU CB C 13 29.908 . . 1 . . . . . 236 E CB . 53712 2 31 . 2 . 2 239 239 GLU N N 15 121.351 . . 1 . . . . . 236 E N . 53712 2 32 . 2 . 2 240 240 ALA H H 1 8.160 . . 1 . . . . . 237 A H . 53712 2 33 . 2 . 2 240 240 ALA CA C 13 52.644 . . 1 . . . . . 237 A CA . 53712 2 34 . 2 . 2 240 240 ALA CB C 13 19.161 . . 1 . . . . . 237 A CB . 53712 2 35 . 2 . 2 240 240 ALA N N 15 124.749 . . 1 . . . . . 237 A N . 53712 2 36 . 2 . 2 241 241 GLU H H 1 8.184 . . 1 . . . . . 238 E H . 53712 2 37 . 2 . 2 241 241 GLU CA C 13 56.454 . . 1 . . . . . 238 E CA . 53712 2 38 . 2 . 2 241 241 GLU CB C 13 30.046 . . 1 . . . . . 238 E CB . 53712 2 39 . 2 . 2 241 241 GLU N N 15 120.111 . . 1 . . . . . 238 E N . 53712 2 40 . 2 . 2 242 242 ALA H H 1 8.188 . . 1 . . . . . 239 A H . 53712 2 41 . 2 . 2 242 242 ALA CA C 13 52.696 . . 1 . . . . . 239 A CA . 53712 2 42 . 2 . 2 242 242 ALA CB C 13 19.180 . . 1 . . . . . 239 A CB . 53712 2 43 . 2 . 2 242 242 ALA N N 15 125.184 . . 1 . . . . . 239 A N . 53712 2 44 . 2 . 2 243 243 GLY H H 1 8.213 . . 1 . . . . . 240 G H . 53712 2 45 . 2 . 2 243 243 GLY CA C 13 45.159 . . 1 . . . . . 240 G CA . 53712 2 46 . 2 . 2 243 243 GLY N N 15 108.069 . . 1 . . . . . 240 G N . 53712 2 47 . 2 . 2 244 244 GLU H H 1 8.223 . . 1 . . . . . 241 E H . 53712 2 48 . 2 . 2 244 244 GLU CA C 13 56.577 . . 1 . . . . . 241 E CA . 53712 2 49 . 2 . 2 244 244 GLU CB C 13 30.223 . . 1 . . . . . 241 E CB . 53712 2 50 . 2 . 2 244 244 GLU N N 15 120.605 . . 1 . . . . . 241 E N . 53712 2 51 . 2 . 2 245 245 GLY H H 1 8.421 . . 1 . . . . . 242 G H . 53712 2 52 . 2 . 2 245 245 GLY CA C 13 45.343 . . 1 . . . . . 242 G CA . 53712 2 53 . 2 . 2 245 245 GLY N N 15 110.061 . . 1 . . . . . 242 G N . 53712 2 54 . 2 . 2 246 246 GLY H H 1 8.139 . . 1 . . . . . 243 G H . 53712 2 55 . 2 . 2 246 246 GLY CA C 13 45.196 . . 1 . . . . . 243 G CA . 53712 2 56 . 2 . 2 246 246 GLY N N 15 108.794 . . 1 . . . . . 243 G N . 53712 2 57 . 2 . 2 247 247 GLU H H 1 8.254 . . 1 . . . . . 244 E H . 53712 2 58 . 2 . 2 247 247 GLU CA C 13 56.540 . . 1 . . . . . 244 E CA . 53712 2 59 . 2 . 2 247 247 GLU CB C 13 30.221 . . 1 . . . . . 244 E CB . 53712 2 60 . 2 . 2 247 247 GLU N N 15 120.705 . . 1 . . . . . 244 E N . 53712 2 61 . 2 . 2 248 248 ASN H H 1 7.947 . . 1 . . . . . 245 N H . 53712 2 62 . 2 . 2 248 248 ASN CA C 13 54.812 . . 1 . . . . . 245 N CA . 53712 2 63 . 2 . 2 248 248 ASN CB C 13 40.519 . . 1 . . . . . 245 N CB . 53712 2 64 . 2 . 2 248 248 ASN N N 15 124.781 . . 1 . . . . . 245 N N . 53712 2 stop_ save_