data_52034 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52034 _Entry.Title ; Ded1p Reca1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-13 _Entry.Accession_date 2023-07-13 _Entry.Last_release_date 2023-07-13 _Entry.Original_release_date 2023-07-13 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Julian Hubner . . . . 52034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 52034 '15N chemical shifts' 211 52034 '1H chemical shifts' 211 52034 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 . . 2023-07-26 . original BMRB . 52034 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51649 'Ded1p RecA2 domain' 52034 BMRB 51650 'Ded1p N-term IDR' 52034 BMRB 52030 'Ded1p C-terminal IDR' 52034 BMRB 52031 'Ded1p C-terminal IDR R540K, R544K, F548G, R545K, R550K, R554K, Y556G, R557K, W567G, R571K, R573K, F577G, R578K, W583G, W592G' 52034 BMRB 52032 'Ded1p C-terminal IDR R540G, R544G, R545G, R550G, R554G, R557G, R571G, R573G, R578G' 52034 BMRB 52033 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K' 52034 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52034 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ded1p RecA1 domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Julian Hubner . . . . 52034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52034 _Assembly.ID 1 _Assembly.Name 'Ded1p RecA1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 no _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 'Ded1p RecA1 domain' 1 $entity_1 . . yes native no no . . . 52034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52034 _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 ; GRSGGRWIDGKHVPAPRNEK AEIAIFGVPEDPNFQSSGIN FDNYDDIPVDASGKDVPEPI TEFTSPPLDGLLLENIKLAR FTKPTPVQKYSVPIVANGRD LMACAQTGSGKTGGFLFPVL SESFKTGPSPQPESQGSFYQ RKAYPTAVIMAPTRELATQI FDEAKKFTYRSWVKACVVYG GSPIGNQLREIERGCDLLVA TPGRLNDLLERGKISLANVK YLVLDEADRMLDMGFEPQIR HIVEDCDMTPVGERQTLMFS ATFPADIQHLARDFLSDYIF LSVGRVGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 288 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Another sequence numbering: 82-369.' _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 2 GLY . 52034 1 2 3 ARG . 52034 1 3 4 SER . 52034 1 4 5 GLY . 52034 1 5 6 GLY . 52034 1 6 7 ARG . 52034 1 7 8 TRP . 52034 1 8 9 ILE . 52034 1 9 10 ASP . 52034 1 10 11 GLY . 52034 1 11 12 LYS . 52034 1 12 13 HIS . 52034 1 13 14 VAL . 52034 1 14 15 PRO . 52034 1 15 16 ALA . 52034 1 16 17 PRO . 52034 1 17 18 ARG . 52034 1 18 19 ASN . 52034 1 19 20 GLU . 52034 1 20 21 LYS . 52034 1 21 22 ALA . 52034 1 22 23 GLU . 52034 1 23 24 ILE . 52034 1 24 25 ALA . 52034 1 25 26 ILE . 52034 1 26 27 PHE . 52034 1 27 28 GLY . 52034 1 28 29 VAL . 52034 1 29 30 PRO . 52034 1 30 31 GLU . 52034 1 31 32 ASP . 52034 1 32 33 PRO . 52034 1 33 34 ASN . 52034 1 34 35 PHE . 52034 1 35 36 GLN . 52034 1 36 37 SER . 52034 1 37 38 SER . 52034 1 38 39 GLY . 52034 1 39 40 ILE . 52034 1 40 41 ASN . 52034 1 41 42 PHE . 52034 1 42 43 ASP . 52034 1 43 44 ASN . 52034 1 44 45 TYR . 52034 1 45 46 ASP . 52034 1 46 47 ASP . 52034 1 47 48 ILE . 52034 1 48 49 PRO . 52034 1 49 50 VAL . 52034 1 50 51 ASP . 52034 1 51 52 ALA . 52034 1 52 53 SER . 52034 1 53 54 GLY . 52034 1 54 55 LYS . 52034 1 55 56 ASP . 52034 1 56 57 VAL . 52034 1 57 58 PRO . 52034 1 58 59 GLU . 52034 1 59 60 PRO . 52034 1 60 61 ILE . 52034 1 61 62 THR . 52034 1 62 63 GLU . 52034 1 63 64 PHE . 52034 1 64 65 THR . 52034 1 65 66 SER . 52034 1 66 67 PRO . 52034 1 67 68 PRO . 52034 1 68 69 LEU . 52034 1 69 70 ASP . 52034 1 70 71 GLY . 52034 1 71 72 LEU . 52034 1 72 73 LEU . 52034 1 73 74 LEU . 52034 1 74 75 GLU . 52034 1 75 76 ASN . 52034 1 76 77 ILE . 52034 1 77 78 LYS . 52034 1 78 79 LEU . 52034 1 79 80 ALA . 52034 1 80 81 ARG . 52034 1 81 82 PHE . 52034 1 82 83 THR . 52034 1 83 84 LYS . 52034 1 84 85 PRO . 52034 1 85 86 THR . 52034 1 86 87 PRO . 52034 1 87 88 VAL . 52034 1 88 89 GLN . 52034 1 89 90 LYS . 52034 1 90 91 TYR . 52034 1 91 92 SER . 52034 1 92 93 VAL . 52034 1 93 94 PRO . 52034 1 94 95 ILE . 52034 1 95 96 VAL . 52034 1 96 97 ALA . 52034 1 97 98 ASN . 52034 1 98 99 GLY . 52034 1 99 100 ARG . 52034 1 100 101 ASP . 52034 1 101 102 LEU . 52034 1 102 103 MET . 52034 1 103 104 ALA . 52034 1 104 105 CYS . 52034 1 105 106 ALA . 52034 1 106 107 GLN . 52034 1 107 108 THR . 52034 1 108 109 GLY . 52034 1 109 110 SER . 52034 1 110 111 GLY . 52034 1 111 112 LYS . 52034 1 112 113 THR . 52034 1 113 114 GLY . 52034 1 114 115 GLY . 52034 1 115 116 PHE . 52034 1 116 117 LEU . 52034 1 117 118 PHE . 52034 1 118 119 PRO . 52034 1 119 120 VAL . 52034 1 120 121 LEU . 52034 1 121 122 SER . 52034 1 122 123 GLU . 52034 1 123 124 SER . 52034 1 124 125 PHE . 52034 1 125 126 LYS . 52034 1 126 127 THR . 52034 1 127 128 GLY . 52034 1 128 129 PRO . 52034 1 129 130 SER . 52034 1 130 131 PRO . 52034 1 131 132 GLN . 52034 1 132 133 PRO . 52034 1 133 134 GLU . 52034 1 134 135 SER . 52034 1 135 136 GLN . 52034 1 136 137 GLY . 52034 1 137 138 SER . 52034 1 138 139 PHE . 52034 1 139 140 TYR . 52034 1 140 141 GLN . 52034 1 141 142 ARG . 52034 1 142 143 LYS . 52034 1 143 144 ALA . 52034 1 144 145 TYR . 52034 1 145 146 PRO . 52034 1 146 147 THR . 52034 1 147 148 ALA . 52034 1 148 149 VAL . 52034 1 149 150 ILE . 52034 1 150 151 MET . 52034 1 151 152 ALA . 52034 1 152 153 PRO . 52034 1 153 154 THR . 52034 1 154 155 ARG . 52034 1 155 156 GLU . 52034 1 156 157 LEU . 52034 1 157 158 ALA . 52034 1 158 159 THR . 52034 1 159 160 GLN . 52034 1 160 161 ILE . 52034 1 161 162 PHE . 52034 1 162 163 ASP . 52034 1 163 164 GLU . 52034 1 164 165 ALA . 52034 1 165 166 LYS . 52034 1 166 167 LYS . 52034 1 167 168 PHE . 52034 1 168 169 THR . 52034 1 169 170 TYR . 52034 1 170 171 ARG . 52034 1 171 172 SER . 52034 1 172 173 TRP . 52034 1 173 174 VAL . 52034 1 174 175 LYS . 52034 1 175 176 ALA . 52034 1 176 177 CYS . 52034 1 177 178 VAL . 52034 1 178 179 VAL . 52034 1 179 180 TYR . 52034 1 180 181 GLY . 52034 1 181 182 GLY . 52034 1 182 183 SER . 52034 1 183 184 PRO . 52034 1 184 185 ILE . 52034 1 185 186 GLY . 52034 1 186 187 ASN . 52034 1 187 188 GLN . 52034 1 188 189 LEU . 52034 1 189 190 ARG . 52034 1 190 191 GLU . 52034 1 191 192 ILE . 52034 1 192 193 GLU . 52034 1 193 194 ARG . 52034 1 194 195 GLY . 52034 1 195 196 CYS . 52034 1 196 197 ASP . 52034 1 197 198 LEU . 52034 1 198 199 LEU . 52034 1 199 200 VAL . 52034 1 200 201 ALA . 52034 1 201 202 THR . 52034 1 202 203 PRO . 52034 1 203 204 GLY . 52034 1 204 205 ARG . 52034 1 205 206 LEU . 52034 1 206 207 ASN . 52034 1 207 208 ASP . 52034 1 208 209 LEU . 52034 1 209 210 LEU . 52034 1 210 211 GLU . 52034 1 211 212 ARG . 52034 1 212 213 GLY . 52034 1 213 214 LYS . 52034 1 214 215 ILE . 52034 1 215 216 SER . 52034 1 216 217 LEU . 52034 1 217 218 ALA . 52034 1 218 219 ASN . 52034 1 219 220 VAL . 52034 1 220 221 LYS . 52034 1 221 222 TYR . 52034 1 222 223 LEU . 52034 1 223 224 VAL . 52034 1 224 225 LEU . 52034 1 225 226 ASP . 52034 1 226 227 GLU . 52034 1 227 228 ALA . 52034 1 228 229 ASP . 52034 1 229 230 ARG . 52034 1 230 231 MET . 52034 1 231 232 LEU . 52034 1 232 233 ASP . 52034 1 233 234 MET . 52034 1 234 235 GLY . 52034 1 235 236 PHE . 52034 1 236 237 GLU . 52034 1 237 238 PRO . 52034 1 238 239 GLN . 52034 1 239 240 ILE . 52034 1 240 241 ARG . 52034 1 241 242 HIS . 52034 1 242 243 ILE . 52034 1 243 244 VAL . 52034 1 244 245 GLU . 52034 1 245 246 ASP . 52034 1 246 247 CYS . 52034 1 247 248 ASP . 52034 1 248 249 MET . 52034 1 249 250 THR . 52034 1 250 251 PRO . 52034 1 251 252 VAL . 52034 1 252 253 GLY . 52034 1 253 254 GLU . 52034 1 254 255 ARG . 52034 1 255 256 GLN . 52034 1 256 257 THR . 52034 1 257 258 LEU . 52034 1 258 259 MET . 52034 1 259 260 PHE . 52034 1 260 261 SER . 52034 1 261 262 ALA . 52034 1 262 263 THR . 52034 1 263 264 PHE . 52034 1 264 265 PRO . 52034 1 265 266 ALA . 52034 1 266 267 ASP . 52034 1 267 268 ILE . 52034 1 268 269 GLN . 52034 1 269 270 HIS . 52034 1 270 271 LEU . 52034 1 271 272 ALA . 52034 1 272 273 ARG . 52034 1 273 274 ASP . 52034 1 274 275 PHE . 52034 1 275 276 LEU . 52034 1 276 277 SER . 52034 1 277 278 ASP . 52034 1 278 279 TYR . 52034 1 279 280 ILE . 52034 1 280 281 PHE . 52034 1 281 282 LEU . 52034 1 282 283 SER . 52034 1 283 284 VAL . 52034 1 284 285 GLY . 52034 1 285 286 ARG . 52034 1 286 287 VAL . 52034 1 287 288 GLY . 52034 1 288 289 SER . 52034 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 . GLY 1 1 52034 1 . ARG 2 2 52034 1 . SER 3 3 52034 1 . GLY 4 4 52034 1 . GLY 5 5 52034 1 . ARG 6 6 52034 1 . TRP 7 7 52034 1 . ILE 8 8 52034 1 . ASP 9 9 52034 1 . GLY 10 10 52034 1 . LYS 11 11 52034 1 . HIS 12 12 52034 1 . VAL 13 13 52034 1 . PRO 14 14 52034 1 . ALA 15 15 52034 1 . PRO 16 16 52034 1 . ARG 17 17 52034 1 . ASN 18 18 52034 1 . GLU 19 19 52034 1 . LYS 20 20 52034 1 . ALA 21 21 52034 1 . GLU 22 22 52034 1 . ILE 23 23 52034 1 . ALA 24 24 52034 1 . ILE 25 25 52034 1 . PHE 26 26 52034 1 . GLY 27 27 52034 1 . VAL 28 28 52034 1 . PRO 29 29 52034 1 . GLU 30 30 52034 1 . ASP 31 31 52034 1 . PRO 32 32 52034 1 . ASN 33 33 52034 1 . PHE 34 34 52034 1 . GLN 35 35 52034 1 . SER 36 36 52034 1 . SER 37 37 52034 1 . GLY 38 38 52034 1 . ILE 39 39 52034 1 . ASN 40 40 52034 1 . PHE 41 41 52034 1 . ASP 42 42 52034 1 . ASN 43 43 52034 1 . TYR 44 44 52034 1 . ASP 45 45 52034 1 . ASP 46 46 52034 1 . ILE 47 47 52034 1 . PRO 48 48 52034 1 . VAL 49 49 52034 1 . ASP 50 50 52034 1 . ALA 51 51 52034 1 . SER 52 52 52034 1 . GLY 53 53 52034 1 . LYS 54 54 52034 1 . ASP 55 55 52034 1 . VAL 56 56 52034 1 . PRO 57 57 52034 1 . GLU 58 58 52034 1 . PRO 59 59 52034 1 . ILE 60 60 52034 1 . THR 61 61 52034 1 . GLU 62 62 52034 1 . PHE 63 63 52034 1 . THR 64 64 52034 1 . SER 65 65 52034 1 . PRO 66 66 52034 1 . PRO 67 67 52034 1 . LEU 68 68 52034 1 . ASP 69 69 52034 1 . GLY 70 70 52034 1 . LEU 71 71 52034 1 . LEU 72 72 52034 1 . LEU 73 73 52034 1 . GLU 74 74 52034 1 . ASN 75 75 52034 1 . ILE 76 76 52034 1 . LYS 77 77 52034 1 . LEU 78 78 52034 1 . ALA 79 79 52034 1 . ARG 80 80 52034 1 . PHE 81 81 52034 1 . THR 82 82 52034 1 . LYS 83 83 52034 1 . PRO 84 84 52034 1 . THR 85 85 52034 1 . PRO 86 86 52034 1 . VAL 87 87 52034 1 . GLN 88 88 52034 1 . LYS 89 89 52034 1 . TYR 90 90 52034 1 . SER 91 91 52034 1 . VAL 92 92 52034 1 . PRO 93 93 52034 1 . ILE 94 94 52034 1 . VAL 95 95 52034 1 . ALA 96 96 52034 1 . ASN 97 97 52034 1 . GLY 98 98 52034 1 . ARG 99 99 52034 1 . ASP 100 100 52034 1 . LEU 101 101 52034 1 . MET 102 102 52034 1 . ALA 103 103 52034 1 . CYS 104 104 52034 1 . ALA 105 105 52034 1 . GLN 106 106 52034 1 . THR 107 107 52034 1 . GLY 108 108 52034 1 . SER 109 109 52034 1 . GLY 110 110 52034 1 . LYS 111 111 52034 1 . THR 112 112 52034 1 . GLY 113 113 52034 1 . GLY 114 114 52034 1 . PHE 115 115 52034 1 . LEU 116 116 52034 1 . PHE 117 117 52034 1 . PRO 118 118 52034 1 . VAL 119 119 52034 1 . LEU 120 120 52034 1 . SER 121 121 52034 1 . GLU 122 122 52034 1 . SER 123 123 52034 1 . PHE 124 124 52034 1 . LYS 125 125 52034 1 . THR 126 126 52034 1 . GLY 127 127 52034 1 . PRO 128 128 52034 1 . SER 129 129 52034 1 . PRO 130 130 52034 1 . GLN 131 131 52034 1 . PRO 132 132 52034 1 . GLU 133 133 52034 1 . SER 134 134 52034 1 . GLN 135 135 52034 1 . GLY 136 136 52034 1 . SER 137 137 52034 1 . PHE 138 138 52034 1 . TYR 139 139 52034 1 . GLN 140 140 52034 1 . ARG 141 141 52034 1 . LYS 142 142 52034 1 . ALA 143 143 52034 1 . TYR 144 144 52034 1 . PRO 145 145 52034 1 . THR 146 146 52034 1 . ALA 147 147 52034 1 . VAL 148 148 52034 1 . ILE 149 149 52034 1 . MET 150 150 52034 1 . ALA 151 151 52034 1 . PRO 152 152 52034 1 . THR 153 153 52034 1 . ARG 154 154 52034 1 . GLU 155 155 52034 1 . LEU 156 156 52034 1 . ALA 157 157 52034 1 . THR 158 158 52034 1 . GLN 159 159 52034 1 . ILE 160 160 52034 1 . PHE 161 161 52034 1 . ASP 162 162 52034 1 . GLU 163 163 52034 1 . ALA 164 164 52034 1 . LYS 165 165 52034 1 . LYS 166 166 52034 1 . PHE 167 167 52034 1 . THR 168 168 52034 1 . TYR 169 169 52034 1 . ARG 170 170 52034 1 . SER 171 171 52034 1 . TRP 172 172 52034 1 . VAL 173 173 52034 1 . LYS 174 174 52034 1 . ALA 175 175 52034 1 . CYS 176 176 52034 1 . VAL 177 177 52034 1 . VAL 178 178 52034 1 . TYR 179 179 52034 1 . GLY 180 180 52034 1 . GLY 181 181 52034 1 . SER 182 182 52034 1 . PRO 183 183 52034 1 . ILE 184 184 52034 1 . GLY 185 185 52034 1 . ASN 186 186 52034 1 . GLN 187 187 52034 1 . LEU 188 188 52034 1 . ARG 189 189 52034 1 . GLU 190 190 52034 1 . ILE 191 191 52034 1 . GLU 192 192 52034 1 . ARG 193 193 52034 1 . GLY 194 194 52034 1 . CYS 195 195 52034 1 . ASP 196 196 52034 1 . LEU 197 197 52034 1 . LEU 198 198 52034 1 . VAL 199 199 52034 1 . ALA 200 200 52034 1 . THR 201 201 52034 1 . PRO 202 202 52034 1 . GLY 203 203 52034 1 . ARG 204 204 52034 1 . LEU 205 205 52034 1 . ASN 206 206 52034 1 . ASP 207 207 52034 1 . LEU 208 208 52034 1 . LEU 209 209 52034 1 . GLU 210 210 52034 1 . ARG 211 211 52034 1 . GLY 212 212 52034 1 . LYS 213 213 52034 1 . ILE 214 214 52034 1 . SER 215 215 52034 1 . LEU 216 216 52034 1 . ALA 217 217 52034 1 . ASN 218 218 52034 1 . VAL 219 219 52034 1 . LYS 220 220 52034 1 . TYR 221 221 52034 1 . LEU 222 222 52034 1 . VAL 223 223 52034 1 . LEU 224 224 52034 1 . ASP 225 225 52034 1 . GLU 226 226 52034 1 . ALA 227 227 52034 1 . ASP 228 228 52034 1 . ARG 229 229 52034 1 . MET 230 230 52034 1 . LEU 231 231 52034 1 . ASP 232 232 52034 1 . MET 233 233 52034 1 . GLY 234 234 52034 1 . PHE 235 235 52034 1 . GLU 236 236 52034 1 . PRO 237 237 52034 1 . GLN 238 238 52034 1 . ILE 239 239 52034 1 . ARG 240 240 52034 1 . HIS 241 241 52034 1 . ILE 242 242 52034 1 . VAL 243 243 52034 1 . GLU 244 244 52034 1 . ASP 245 245 52034 1 . CYS 246 246 52034 1 . ASP 247 247 52034 1 . MET 248 248 52034 1 . THR 249 249 52034 1 . PRO 250 250 52034 1 . VAL 251 251 52034 1 . GLY 252 252 52034 1 . GLU 253 253 52034 1 . ARG 254 254 52034 1 . GLN 255 255 52034 1 . THR 256 256 52034 1 . LEU 257 257 52034 1 . MET 258 258 52034 1 . PHE 259 259 52034 1 . SER 260 260 52034 1 . ALA 261 261 52034 1 . THR 262 262 52034 1 . PHE 263 263 52034 1 . PRO 264 264 52034 1 . ALA 265 265 52034 1 . ASP 266 266 52034 1 . ILE 267 267 52034 1 . GLN 268 268 52034 1 . HIS 269 269 52034 1 . LEU 270 270 52034 1 . ALA 271 271 52034 1 . ARG 272 272 52034 1 . ASP 273 273 52034 1 . PHE 274 274 52034 1 . LEU 275 275 52034 1 . SER 276 276 52034 1 . ASP 277 277 52034 1 . TYR 278 278 52034 1 . ILE 279 279 52034 1 . PHE 280 280 52034 1 . LEU 281 281 52034 1 . SER 282 282 52034 1 . VAL 283 283 52034 1 . GLY 284 284 52034 1 . ARG 285 285 52034 1 . VAL 286 286 52034 1 . GLY 287 287 52034 1 . SER 288 288 52034 1 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 52034 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 52034 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 52034 _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 . . pETM-11 . . . 52034 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52034 _Sample.ID 1 _Sample.Name 'Ded1p RecA1 domain' _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 'Ded1p N-terminal IDR' '[U-13C; U-15N]' . . 1 $entity_1 . . 900 . . uM . . . . 52034 1 2 'sodium chloride' 'natural abundance' . . . . . . 325 . . mM . . . . 52034 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52034 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52034 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 52034 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52034 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Ded1p RecA1 domain' _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' 0.325 . M 52034 1 pH 7.3 . pH 52034 1 pressure 1 . atm 52034 1 temperature 298 . K 52034 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52034 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52034 1 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 52034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52034 _Experiment_list.ID 1 _Experiment_list.Details . 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 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52034 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52034 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52034 1 4 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52034 1 5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52034 1 6 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52034 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 52034 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ded1p RecA1 domain' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.698 internal indirect . . . . . . 52034 1 H 1 water protons . . . . ppm 4.698 internal direct 1 . . . . . 52034 1 N 15 water protons . . . . ppm 4.698 internal indirect . . . . . . 52034 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_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 52034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 '3D HNCO' . . . 52034 1 2 '3D HNCACB' . . . 52034 1 3 '3D HN(CA)CO' . . . 52034 1 4 '2D 1H-15N TROSY' . . . 52034 1 5 '3D HN(CO)CACB' . . . 52034 1 6 '3D C(CO)NH' . . . 52034 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 . . 52034 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 8 8 ILE H H 1 8.445 0.02 . 1 . . . . . 9 ILE H . 52034 1 2 . 1 . 1 8 8 ILE C C 13 175.273 0.3 . 1 . . . . . 9 ILE C . 52034 1 3 . 1 . 1 8 8 ILE CA C 13 59.172 0.3 . 1 . . . . . 9 ILE CA . 52034 1 4 . 1 . 1 8 8 ILE N N 15 127.334 0.3 . 1 . . . . . 9 ILE N . 52034 1 5 . 1 . 1 9 9 ASP H H 1 9.051 0.02 . 1 . . . . . 10 ASP H . 52034 1 6 . 1 . 1 9 9 ASP C C 13 174.509 0.3 . 1 . . . . . 10 ASP C . 52034 1 7 . 1 . 1 9 9 ASP CA C 13 54.616 0.3 . 1 . . . . . 10 ASP CA . 52034 1 8 . 1 . 1 9 9 ASP N N 15 128.4 0.3 . 1 . . . . . 10 ASP N . 52034 1 9 . 1 . 1 10 10 GLY H H 1 7.911 0.02 . 1 . . . . . 11 GLY H . 52034 1 10 . 1 . 1 10 10 GLY C C 13 172.738 0.3 . 1 . . . . . 11 GLY C . 52034 1 11 . 1 . 1 10 10 GLY CA C 13 45.176 0.3 . 1 . . . . . 11 GLY CA . 52034 1 12 . 1 . 1 10 10 GLY N N 15 102.156 0.3 . 1 . . . . . 11 GLY N . 52034 1 13 . 1 . 1 11 11 LYS H H 1 6.843 0.02 . 1 . . . . . 12 LYS H . 52034 1 14 . 1 . 1 11 11 LYS C C 13 172.05 0.3 . 1 . . . . . 12 LYS C . 52034 1 15 . 1 . 1 11 11 LYS CA C 13 53.01 0.3 . 1 . . . . . 12 LYS CA . 52034 1 16 . 1 . 1 11 11 LYS N N 15 118.764 0.3 . 1 . . . . . 12 LYS N . 52034 1 17 . 1 . 1 12 12 HIS H H 1 8 0.02 . 1 . . . . . 13 HIS H . 52034 1 18 . 1 . 1 12 12 HIS C C 13 175.668 0.3 . 1 . . . . . 13 HIS C . 52034 1 19 . 1 . 1 12 12 HIS CA C 13 52.983 0.3 . 1 . . . . . 13 HIS CA . 52034 1 20 . 1 . 1 12 12 HIS N N 15 121.288 0.3 . 1 . . . . . 13 HIS N . 52034 1 21 . 1 . 1 13 13 VAL H H 1 9.233 0.02 . 1 . . . . . 14 VAL H . 52034 1 22 . 1 . 1 13 13 VAL C C 13 172.815 0.3 . 1 . . . . . 14 VAL C . 52034 1 23 . 1 . 1 13 13 VAL CA C 13 59.466 0.3 . 1 . . . . . 14 VAL CA . 52034 1 24 . 1 . 1 13 13 VAL N N 15 130.789 0.3 . 1 . . . . . 14 VAL N . 52034 1 25 . 1 . 1 15 15 ALA H H 1 8.413 0.02 . 1 . . . . . 16 ALA H . 52034 1 26 . 1 . 1 15 15 ALA C C 13 174.318 0.3 . 1 . . . . . 16 ALA C . 52034 1 27 . 1 . 1 15 15 ALA CA C 13 49.694 0.3 . 1 . . . . . 16 ALA CA . 52034 1 28 . 1 . 1 15 15 ALA N N 15 125.473 0.3 . 1 . . . . . 16 ALA N . 52034 1 29 . 1 . 1 17 17 ARG H H 1 8.298 0.02 . 1 . . . . . 18 ARG H . 52034 1 30 . 1 . 1 17 17 ARG C C 13 176.942 0.3 . 1 . . . . . 18 ARG C . 52034 1 31 . 1 . 1 17 17 ARG CA C 13 56.72 0.3 . 1 . . . . . 18 ARG CA . 52034 1 32 . 1 . 1 17 17 ARG N N 15 118.698 0.3 . 1 . . . . . 18 ARG N . 52034 1 33 . 1 . 1 18 18 ASN H H 1 8.197 0.02 . 1 . . . . . 19 ASN H . 52034 1 34 . 1 . 1 18 18 ASN C C 13 174.369 0.3 . 1 . . . . . 19 ASN C . 52034 1 35 . 1 . 1 18 18 ASN CA C 13 52.401 0.3 . 1 . . . . . 19 ASN CA . 52034 1 36 . 1 . 1 18 18 ASN N N 15 120.358 0.3 . 1 . . . . . 19 ASN N . 52034 1 37 . 1 . 1 19 19 GLU H H 1 7.887 0.02 . 1 . . . . . 20 GLU H . 52034 1 38 . 1 . 1 19 19 GLU C C 13 174.395 0.3 . 1 . . . . . 20 GLU C . 52034 1 39 . 1 . 1 19 19 GLU CA C 13 59.393 0.3 . 1 . . . . . 20 GLU CA . 52034 1 40 . 1 . 1 19 19 GLU N N 15 121.74 0.3 . 1 . . . . . 20 GLU N . 52034 1 41 . 1 . 1 20 20 LYS H H 1 7.898 0.02 . 1 . . . . . 21 LYS H . 52034 1 42 . 1 . 1 20 20 LYS C C 13 179.91 0.3 . 1 . . . . . 21 LYS C . 52034 1 43 . 1 . 1 20 20 LYS CA C 13 58.935 0.3 . 1 . . . . . 21 LYS CA . 52034 1 44 . 1 . 1 20 20 LYS N N 15 118.432 0.3 . 1 . . . . . 21 LYS N . 52034 1 45 . 1 . 1 21 21 ALA H H 1 7.815 0.02 . 1 . . . . . 22 ALA H . 52034 1 46 . 1 . 1 21 21 ALA C C 13 179.809 0.3 . 1 . . . . . 22 ALA C . 52034 1 47 . 1 . 1 21 21 ALA CA C 13 53.956 0.3 . 1 . . . . . 22 ALA CA . 52034 1 48 . 1 . 1 21 21 ALA N N 15 123.148 0.3 . 1 . . . . . 22 ALA N . 52034 1 49 . 1 . 1 22 22 GLU H H 1 7.873 0.02 . 1 . . . . . 23 GLU H . 52034 1 50 . 1 . 1 22 22 GLU C C 13 179.121 0.3 . 1 . . . . . 23 GLU C . 52034 1 51 . 1 . 1 22 22 GLU CA C 13 59.267 0.3 . 1 . . . . . 23 GLU CA . 52034 1 52 . 1 . 1 22 22 GLU N N 15 116.399 0.3 . 1 . . . . . 23 GLU N . 52034 1 53 . 1 . 1 23 23 ILE H H 1 7.65 0.02 . 1 . . . . . 24 ILE H . 52034 1 54 . 1 . 1 23 23 ILE C C 13 178.484 0.3 . 1 . . . . . 24 ILE C . 52034 1 55 . 1 . 1 23 23 ILE CA C 13 64.111 0.3 . 1 . . . . . 24 ILE CA . 52034 1 56 . 1 . 1 23 23 ILE N N 15 120.026 0.3 . 1 . . . . . 24 ILE N . 52034 1 57 . 1 . 1 24 24 ALA H H 1 7.059 0.02 . 1 . . . . . 25 ALA H . 52034 1 58 . 1 . 1 24 24 ALA C C 13 179.184 0.3 . 1 . . . . . 25 ALA C . 52034 1 59 . 1 . 1 24 24 ALA CA C 13 53.952 0.3 . 1 . . . . . 25 ALA CA . 52034 1 60 . 1 . 1 24 24 ALA N N 15 121.62 0.3 . 1 . . . . . 25 ALA N . 52034 1 61 . 1 . 1 25 25 ILE H H 1 7.822 0.02 . 1 . . . . . 26 ILE H . 52034 1 62 . 1 . 1 25 25 ILE C C 13 177.044 0.3 . 1 . . . . . 26 ILE C . 52034 1 63 . 1 . 1 25 25 ILE CA C 13 63.53 0.3 . 1 . . . . . 26 ILE CA . 52034 1 64 . 1 . 1 25 25 ILE N N 15 116.904 0.3 . 1 . . . . . 26 ILE N . 52034 1 65 . 1 . 1 26 26 PHE H H 1 8.209 0.02 . 1 . . . . . 27 PHE H . 52034 1 66 . 1 . 1 26 26 PHE C C 13 177.464 0.3 . 1 . . . . . 27 PHE C . 52034 1 67 . 1 . 1 26 26 PHE CA C 13 58.409 0.3 . 1 . . . . . 27 PHE CA . 52034 1 68 . 1 . 1 26 26 PHE N N 15 114.911 0.3 . 1 . . . . . 27 PHE N . 52034 1 69 . 1 . 1 27 27 GLY H H 1 7.351 0.02 . 1 . . . . . 28 GLY H . 52034 1 70 . 1 . 1 27 27 GLY C C 13 172.866 0.3 . 1 . . . . . 28 GLY C . 52034 1 71 . 1 . 1 27 27 GLY CA C 13 44.235 0.3 . 1 . . . . . 28 GLY CA . 52034 1 72 . 1 . 1 27 27 GLY N N 15 109.464 0.3 . 1 . . . . . 28 GLY N . 52034 1 73 . 1 . 1 28 28 VAL H H 1 7.949 0.02 . 1 . . . . . 29 VAL H . 52034 1 74 . 1 . 1 28 28 VAL C C 13 174.776 0.3 . 1 . . . . . 29 VAL C . 52034 1 75 . 1 . 1 28 28 VAL CA C 13 59.239 0.3 . 1 . . . . . 29 VAL CA . 52034 1 76 . 1 . 1 28 28 VAL N N 15 117.967 0.3 . 1 . . . . . 29 VAL N . 52034 1 77 . 1 . 1 30 30 GLU H H 1 8.267 0.02 . 1 . . . . . 31 GLU H . 52034 1 78 . 1 . 1 30 30 GLU C C 13 176.05 0.3 . 1 . . . . . 31 GLU C . 52034 1 79 . 1 . 1 30 30 GLU CA C 13 56.111 0.3 . 1 . . . . . 31 GLU CA . 52034 1 80 . 1 . 1 30 30 GLU N N 15 120.159 0.3 . 1 . . . . . 31 GLU N . 52034 1 81 . 1 . 1 31 31 ASP H H 1 8.101 0.02 . 1 . . . . . 32 ASP H . 52034 1 82 . 1 . 1 31 31 ASP C C 13 175.592 0.3 . 1 . . . . . 32 ASP C . 52034 1 83 . 1 . 1 31 31 ASP CA C 13 51.604 0.3 . 1 . . . . . 32 ASP CA . 52034 1 84 . 1 . 1 31 31 ASP N N 15 123.016 0.3 . 1 . . . . . 32 ASP N . 52034 1 85 . 1 . 1 33 33 ASN H H 1 8.489 0.02 . 1 . . . . . 34 ASN H . 52034 1 86 . 1 . 1 33 33 ASN C C 13 175.324 0.3 . 1 . . . . . 34 ASN C . 52034 1 87 . 1 . 1 33 33 ASN CA C 13 53.26 0.3 . 1 . . . . . 34 ASN CA . 52034 1 88 . 1 . 1 33 33 ASN N N 15 117.17 0.3 . 1 . . . . . 34 ASN N . 52034 1 89 . 1 . 1 34 34 PHE H H 1 7.784 0.02 . 1 . . . . . 35 PHE H . 52034 1 90 . 1 . 1 34 34 PHE C C 13 175.719 0.3 . 1 . . . . . 35 PHE C . 52034 1 91 . 1 . 1 34 34 PHE CA C 13 57.91 0.3 . 1 . . . . . 35 PHE CA . 52034 1 92 . 1 . 1 34 34 PHE N N 15 120.69 0.3 . 1 . . . . . 35 PHE N . 52034 1 93 . 1 . 1 35 35 GLN H H 1 7.991 0.02 . 1 . . . . . 36 GLN H . 52034 1 94 . 1 . 1 35 35 GLN C C 13 175.872 0.3 . 1 . . . . . 36 GLN C . 52034 1 95 . 1 . 1 35 35 GLN CA C 13 55.499 0.3 . 1 . . . . . 36 GLN CA . 52034 1 96 . 1 . 1 35 35 GLN N N 15 122.115 0.3 . 1 . . . . . 36 GLN N . 52034 1 97 . 1 . 1 38 38 GLY H H 1 8.228 0.02 . 1 . . . . . 39 GLY H . 52034 1 98 . 1 . 1 38 38 GLY C C 13 174.114 0.3 . 1 . . . . . 39 GLY C . 52034 1 99 . 1 . 1 38 38 GLY CA C 13 44.927 0.3 . 1 . . . . . 39 GLY CA . 52034 1 100 . 1 . 1 38 38 GLY N N 15 110.859 0.3 . 1 . . . . . 39 GLY N . 52034 1 101 . 1 . 1 39 39 ILE H H 1 7.73 0.02 . 1 . . . . . 40 ILE H . 52034 1 102 . 1 . 1 39 39 ILE C C 13 175.681 0.3 . 1 . . . . . 40 ILE C . 52034 1 103 . 1 . 1 39 39 ILE CA C 13 60.762 0.3 . 1 . . . . . 40 ILE CA . 52034 1 104 . 1 . 1 39 39 ILE N N 15 119.953 0.3 . 1 . . . . . 40 ILE N . 52034 1 105 . 1 . 1 40 40 ASN H H 1 8.222 0.02 . 1 . . . . . 41 ASN H . 52034 1 106 . 1 . 1 40 40 ASN C C 13 174.727 0.3 . 1 . . . . . 41 ASN C . 52034 1 107 . 1 . 1 40 40 ASN CA C 13 52.512 0.3 . 1 . . . . . 41 ASN CA . 52034 1 108 . 1 . 1 40 40 ASN N N 15 122.255 0.3 . 1 . . . . . 41 ASN N . 52034 1 109 . 1 . 1 42 42 ASP H H 1 8.095 0.02 . 1 . . . . . 43 ASP H . 52034 1 110 . 1 . 1 42 42 ASP C C 13 175.541 0.3 . 1 . . . . . 43 ASP C . 52034 1 111 . 1 . 1 42 42 ASP CA C 13 54.176 0.3 . 1 . . . . . 43 ASP CA . 52034 1 112 . 1 . 1 42 42 ASP N N 15 121.554 0.3 . 1 . . . . . 43 ASP N . 52034 1 113 . 1 . 1 43 43 ASN H H 1 7.93 0.02 . 1 . . . . . 44 ASN H . 52034 1 114 . 1 . 1 43 43 ASN C C 13 175.426 0.3 . 1 . . . . . 44 ASN C . 52034 1 115 . 1 . 1 43 43 ASN CA C 13 52.789 0.3 . 1 . . . . . 44 ASN CA . 52034 1 116 . 1 . 1 43 43 ASN N N 15 118.299 0.3 . 1 . . . . . 44 ASN N . 52034 1 117 . 1 . 1 44 44 TYR H H 1 8.114 0.02 . 1 . . . . . 45 TYR H . 52034 1 118 . 1 . 1 44 44 TYR C C 13 176.484 0.3 . 1 . . . . . 45 TYR C . 52034 1 119 . 1 . 1 44 44 TYR CA C 13 57.274 0.3 . 1 . . . . . 45 TYR CA . 52034 1 120 . 1 . 1 44 44 TYR N N 15 120.956 0.3 . 1 . . . . . 45 TYR N . 52034 1 121 . 1 . 1 45 45 ASP H H 1 8.139 0.02 . 1 . . . . . 46 ASP H . 52034 1 122 . 1 . 1 45 45 ASP C C 13 176.14 0.3 . 1 . . . . . 46 ASP C . 52034 1 123 . 1 . 1 45 45 ASP CA C 13 55.28 0.3 . 1 . . . . . 46 ASP CA . 52034 1 124 . 1 . 1 45 45 ASP N N 15 120.69 0.3 . 1 . . . . . 46 ASP N . 52034 1 125 . 1 . 1 46 46 ASP H H 1 8.108 0.02 . 1 . . . . . 47 ASP H . 52034 1 126 . 1 . 1 46 46 ASP C C 13 175.681 0.3 . 1 . . . . . 47 ASP C . 52034 1 127 . 1 . 1 46 46 ASP CA C 13 53.73 0.3 . 1 . . . . . 47 ASP CA . 52034 1 128 . 1 . 1 46 46 ASP N N 15 119.03 0.3 . 1 . . . . . 47 ASP N . 52034 1 129 . 1 . 1 47 47 ILE H H 1 7.345 0.02 . 1 . . . . . 48 ILE H . 52034 1 130 . 1 . 1 47 47 ILE C C 13 173.846 0.3 . 1 . . . . . 48 ILE C . 52034 1 131 . 1 . 1 47 47 ILE CA C 13 57.997 0.3 . 1 . . . . . 48 ILE CA . 52034 1 132 . 1 . 1 47 47 ILE N N 15 122.949 0.3 . 1 . . . . . 48 ILE N . 52034 1 133 . 1 . 1 49 49 VAL H H 1 8.05 0.02 . 1 . . . . . 50 VAL H . 52034 1 134 . 1 . 1 49 49 VAL C C 13 174.331 0.3 . 1 . . . . . 50 VAL C . 52034 1 135 . 1 . 1 49 49 VAL CA C 13 60.596 0.3 . 1 . . . . . 50 VAL CA . 52034 1 136 . 1 . 1 49 49 VAL N N 15 121.355 0.3 . 1 . . . . . 50 VAL N . 52034 1 137 . 1 . 1 50 50 ASP H H 1 8.451 0.02 . 1 . . . . . 51 ASP H . 52034 1 138 . 1 . 1 50 50 ASP C C 13 173.681 0.3 . 1 . . . . . 51 ASP C . 52034 1 139 . 1 . 1 50 50 ASP CA C 13 52.927 0.3 . 1 . . . . . 51 ASP CA . 52034 1 140 . 1 . 1 50 50 ASP N N 15 126.271 0.3 . 1 . . . . . 51 ASP N . 52034 1 141 . 1 . 1 51 51 ALA H H 1 8.337 0.02 . 1 . . . . . 52 ALA H . 52034 1 142 . 1 . 1 51 51 ALA C C 13 176.216 0.3 . 1 . . . . . 52 ALA C . 52034 1 143 . 1 . 1 51 51 ALA CA C 13 49.694 0.3 . 1 . . . . . 52 ALA CA . 52034 1 144 . 1 . 1 51 51 ALA N N 15 127.533 0.3 . 1 . . . . . 52 ALA N . 52034 1 145 . 1 . 1 52 52 SER H H 1 9.229 0.02 . 1 . . . . . 53 SER H . 52034 1 146 . 1 . 1 52 52 SER C C 13 172.496 0.3 . 1 . . . . . 53 SER C . 52034 1 147 . 1 . 1 52 52 SER CA C 13 56.498 0.3 . 1 . . . . . 53 SER CA . 52034 1 148 . 1 . 1 52 52 SER N N 15 116.588 0.3 . 1 . . . . . 53 SER N . 52034 1 149 . 1 . 1 54 54 LYS H H 1 8.591 0.02 . 1 . . . . . 55 LYS H . 52034 1 150 . 1 . 1 54 54 LYS C C 13 176.509 0.3 . 1 . . . . . 55 LYS C . 52034 1 151 . 1 . 1 54 54 LYS CA C 13 55.114 0.3 . 1 . . . . . 55 LYS CA . 52034 1 152 . 1 . 1 54 54 LYS N N 15 121.222 0.3 . 1 . . . . . 55 LYS N . 52034 1 153 . 1 . 1 55 55 ASP H H 1 8.883 0.02 . 1 . . . . . 56 ASP H . 52034 1 154 . 1 . 1 55 55 ASP C C 13 174.178 0.3 . 1 . . . . . 56 ASP C . 52034 1 155 . 1 . 1 55 55 ASP CA C 13 54.533 0.3 . 1 . . . . . 56 ASP CA . 52034 1 156 . 1 . 1 55 55 ASP N N 15 124.809 0.3 . 1 . . . . . 56 ASP N . 52034 1 157 . 1 . 1 56 56 VAL H H 1 8.189 0.02 . 1 . . . . . 57 VAL H . 52034 1 158 . 1 . 1 56 56 VAL C C 13 175.592 0.3 . 1 . . . . . 57 VAL C . 52034 1 159 . 1 . 1 56 56 VAL CA C 13 60.762 0.3 . 1 . . . . . 57 VAL CA . 52034 1 160 . 1 . 1 56 56 VAL N N 15 122.269 0.3 . 1 . . . . . 57 VAL N . 52034 1 161 . 1 . 1 60 60 ILE H H 1 8.311 0.02 . 1 . . . . . 61 ILE H . 52034 1 162 . 1 . 1 60 60 ILE C C 13 176.038 0.3 . 1 . . . . . 61 ILE C . 52034 1 163 . 1 . 1 60 60 ILE CA C 13 60.014 0.3 . 1 . . . . . 61 ILE CA . 52034 1 164 . 1 . 1 60 60 ILE N N 15 114.047 0.3 . 1 . . . . . 61 ILE N . 52034 1 165 . 1 . 1 61 61 THR H H 1 8.508 0.02 . 1 . . . . . 62 THR H . 52034 1 166 . 1 . 1 61 61 THR C C 13 174.089 0.3 . 1 . . . . . 62 THR C . 52034 1 167 . 1 . 1 61 61 THR CA C 13 61.454 0.3 . 1 . . . . . 62 THR CA . 52034 1 168 . 1 . 1 61 61 THR N N 15 109.397 0.3 . 1 . . . . . 62 THR N . 52034 1 169 . 1 . 1 62 62 GLU H H 1 7.569 0.02 . 1 . . . . . 63 GLU H . 52034 1 170 . 1 . 1 62 62 GLU C C 13 174.7 0.3 . 1 . . . . . 63 GLU C . 52034 1 171 . 1 . 1 62 62 GLU CA C 13 53.37 0.3 . 1 . . . . . 63 GLU CA . 52034 1 172 . 1 . 1 62 62 GLU N N 15 119.355 0.3 . 1 . . . . . 63 GLU N . 52034 1 173 . 1 . 1 63 63 PHE H H 1 8.959 0.02 . 1 . . . . . 64 PHE H . 52034 1 174 . 1 . 1 63 63 PHE C C 13 174.331 0.3 . 1 . . . . . 64 PHE C . 52034 1 175 . 1 . 1 63 63 PHE CA C 13 56.886 0.3 . 1 . . . . . 64 PHE CA . 52034 1 176 . 1 . 1 63 63 PHE N N 15 120.093 0.3 . 1 . . . . . 64 PHE N . 52034 1 177 . 1 . 1 64 64 THR H H 1 7.796 0.02 . 1 . . . . . 65 THR H . 52034 1 178 . 1 . 1 64 64 THR C C 13 172.19 0.3 . 1 . . . . . 65 THR C . 52034 1 179 . 1 . 1 64 64 THR CA C 13 59.627 0.3 . 1 . . . . . 65 THR CA . 52034 1 180 . 1 . 1 64 64 THR N N 15 114.645 0.3 . 1 . . . . . 65 THR N . 52034 1 181 . 1 . 1 65 65 SER H H 1 8.572 0.02 . 1 . . . . . 66 SER H . 52034 1 182 . 1 . 1 65 65 SER C C 13 173.553 0.3 . 1 . . . . . 66 SER C . 52034 1 183 . 1 . 1 65 65 SER CA C 13 53.176 0.3 . 1 . . . . . 66 SER CA . 52034 1 184 . 1 . 1 65 65 SER N N 15 116.837 0.3 . 1 . . . . . 66 SER N . 52034 1 185 . 1 . 1 68 68 LEU H H 1 8.619 0.02 . 1 . . . . . 69 LEU H . 52034 1 186 . 1 . 1 68 68 LEU C C 13 177.426 0.3 . 1 . . . . . 69 LEU C . 52034 1 187 . 1 . 1 68 68 LEU CA C 13 54.339 0.3 . 1 . . . . . 69 LEU CA . 52034 1 188 . 1 . 1 68 68 LEU N N 15 123.849 0.3 . 1 . . . . . 69 LEU N . 52034 1 189 . 1 . 1 69 69 ASP H H 1 8.552 0.02 . 1 . . . . . 70 ASP H . 52034 1 190 . 1 . 1 69 69 ASP C C 13 177.286 0.3 . 1 . . . . . 70 ASP C . 52034 1 191 . 1 . 1 69 69 ASP CA C 13 55.031 0.3 . 1 . . . . . 70 ASP CA . 52034 1 192 . 1 . 1 69 69 ASP N N 15 122.274 0.3 . 1 . . . . . 70 ASP N . 52034 1 193 . 1 . 1 70 70 GLY H H 1 8.706 0.02 . 1 . . . . . 71 GLY H . 52034 1 194 . 1 . 1 70 70 GLY C C 13 176.14 0.3 . 1 . . . . . 71 GLY C . 52034 1 195 . 1 . 1 70 70 GLY CA C 13 47.418 0.3 . 1 . . . . . 71 GLY CA . 52034 1 196 . 1 . 1 70 70 GLY N N 15 113.341 0.3 . 1 . . . . . 71 GLY N . 52034 1 197 . 1 . 1 71 71 LEU H H 1 8.559 0.02 . 1 . . . . . 72 LEU H . 52034 1 198 . 1 . 1 71 71 LEU C C 13 179.21 0.3 . 1 . . . . . 72 LEU C . 52034 1 199 . 1 . 1 71 71 LEU CA C 13 57.409 0.3 . 1 . . . . . 72 LEU CA . 52034 1 200 . 1 . 1 71 71 LEU N N 15 125.473 0.3 . 1 . . . . . 72 LEU N . 52034 1 201 . 1 . 1 72 72 LEU H H 1 7.701 0.02 . 1 . . . . . 73 LEU H . 52034 1 202 . 1 . 1 72 72 LEU C C 13 178.93 0.3 . 1 . . . . . 73 LEU C . 52034 1 203 . 1 . 1 72 72 LEU CA C 13 57.08 0.3 . 1 . . . . . 73 LEU CA . 52034 1 204 . 1 . 1 72 72 LEU N N 15 118.166 0.3 . 1 . . . . . 73 LEU N . 52034 1 205 . 1 . 1 73 73 LEU H H 1 8.093 0.02 . 1 . . . . . 74 LEU H . 52034 1 206 . 1 . 1 73 73 LEU C C 13 177.937 0.3 . 1 . . . . . 74 LEU C . 52034 1 207 . 1 . 1 73 73 LEU CA C 13 57.44 0.3 . 1 . . . . . 74 LEU CA . 52034 1 208 . 1 . 1 73 73 LEU N N 15 117.565 0.3 . 1 . . . . . 74 LEU N . 52034 1 209 . 1 . 1 74 74 GLU H H 1 7.586 0.02 . 1 . . . . . 75 GLU H . 52034 1 210 . 1 . 1 74 74 GLU C C 13 179.388 0.3 . 1 . . . . . 75 GLU C . 52034 1 211 . 1 . 1 74 74 GLU CA C 13 59.516 0.3 . 1 . . . . . 75 GLU CA . 52034 1 212 . 1 . 1 74 74 GLU N N 15 118.166 0.3 . 1 . . . . . 75 GLU N . 52034 1 213 . 1 . 1 75 75 ASN H H 1 7.936 0.02 . 1 . . . . . 76 ASN H . 52034 1 214 . 1 . 1 75 75 ASN C C 13 177.477 0.3 . 1 . . . . . 76 ASN C . 52034 1 215 . 1 . 1 75 75 ASN CA C 13 55.585 0.3 . 1 . . . . . 76 ASN CA . 52034 1 216 . 1 . 1 75 75 ASN N N 15 120.558 0.3 . 1 . . . . . 76 ASN N . 52034 1 217 . 1 . 1 76 76 ILE H H 1 8.517 0.02 . 1 . . . . . 77 ILE H . 52034 1 218 . 1 . 1 76 76 ILE C C 13 177.923 0.3 . 1 . . . . . 77 ILE C . 52034 1 219 . 1 . 1 76 76 ILE CA C 13 66.381 0.3 . 1 . . . . . 77 ILE CA . 52034 1 220 . 1 . 1 76 76 ILE N N 15 122.274 0.3 . 1 . . . . . 77 ILE N . 52034 1 221 . 1 . 1 77 77 LYS H H 1 7.675 0.02 . 1 . . . . . 78 LYS H . 52034 1 222 . 1 . 1 77 77 LYS C C 13 170.751 0.3 . 1 . . . . . 78 LYS C . 52034 1 223 . 1 . 1 77 77 LYS CA C 13 58.99 0.3 . 1 . . . . . 78 LYS CA . 52034 1 224 . 1 . 1 77 77 LYS N N 15 119.163 0.3 . 1 . . . . . 78 LYS N . 52034 1 225 . 1 . 1 78 78 LEU H H 1 7.936 0.02 . 1 . . . . . 79 LEU H . 52034 1 226 . 1 . 1 78 78 LEU C C 13 177.923 0.3 . 1 . . . . . 79 LEU C . 52034 1 227 . 1 . 1 78 78 LEU CA C 13 57.262 0.3 . 1 . . . . . 79 LEU CA . 52034 1 228 . 1 . 1 78 78 LEU N N 15 123.946 0.3 . 1 . . . . . 79 LEU N . 52034 1 229 . 1 . 1 79 79 ALA H H 1 7.447 0.02 . 1 . . . . . 80 ALA H . 52034 1 230 . 1 . 1 79 79 ALA C C 13 176.267 0.3 . 1 . . . . . 80 ALA C . 52034 1 231 . 1 . 1 79 79 ALA CA C 13 51.765 0.3 . 1 . . . . . 80 ALA CA . 52034 1 232 . 1 . 1 79 79 ALA N N 15 118.299 0.3 . 1 . . . . . 80 ALA N . 52034 1 233 . 1 . 1 80 80 ARG H H 1 7.701 0.02 . 1 . . . . . 81 ARG H . 52034 1 234 . 1 . 1 80 80 ARG C C 13 175.681 0.3 . 1 . . . . . 81 ARG C . 52034 1 235 . 1 . 1 80 80 ARG CA C 13 56.803 0.3 . 1 . . . . . 81 ARG CA . 52034 1 236 . 1 . 1 80 80 ARG N N 15 111.789 0.3 . 1 . . . . . 81 ARG N . 52034 1 237 . 1 . 1 81 81 PHE H H 1 7.619 0.02 . 1 . . . . . 82 PHE H . 52034 1 238 . 1 . 1 81 81 PHE C C 13 176.343 0.3 . 1 . . . . . 82 PHE C . 52034 1 239 . 1 . 1 81 81 PHE CA C 13 57.301 0.3 . 1 . . . . . 82 PHE CA . 52034 1 240 . 1 . 1 81 81 PHE N N 15 120.49 0.3 . 1 . . . . . 82 PHE N . 52034 1 241 . 1 . 1 82 82 THR H H 1 8.324 0.02 . 1 . . . . . 83 THR H . 52034 1 242 . 1 . 1 82 82 THR C C 13 174.891 0.3 . 1 . . . . . 83 THR C . 52034 1 243 . 1 . 1 82 82 THR CA C 13 62.312 0.3 . 1 . . . . . 83 THR CA . 52034 1 244 . 1 . 1 82 82 THR N N 15 112.387 0.3 . 1 . . . . . 83 THR N . 52034 1 245 . 1 . 1 83 83 LYS H H 1 7.841 0.02 . 1 . . . . . 84 LYS H . 52034 1 246 . 1 . 1 83 83 LYS C C 13 173.184 0.3 . 1 . . . . . 84 LYS C . 52034 1 247 . 1 . 1 83 83 LYS CA C 13 52.983 0.3 . 1 . . . . . 84 LYS CA . 52034 1 248 . 1 . 1 83 83 LYS N N 15 122.019 0.3 . 1 . . . . . 84 LYS N . 52034 1 249 . 1 . 1 88 88 GLN H H 1 7.072 0.02 . 1 . . . . . 89 GLN H . 52034 1 250 . 1 . 1 88 88 GLN C C 13 177.77 0.3 . 1 . . . . . 89 GLN C . 52034 1 251 . 1 . 1 88 88 GLN CA C 13 57.052 0.3 . 1 . . . . . 89 GLN CA . 52034 1 252 . 1 . 1 88 88 GLN N N 15 120.292 0.3 . 1 . . . . . 89 GLN N . 52034 1 253 . 1 . 1 89 89 LYS H H 1 8.025 0.02 . 1 . . . . . 90 LYS H . 52034 1 254 . 1 . 1 89 89 LYS C C 13 176.573 0.3 . 1 . . . . . 90 LYS C . 52034 1 255 . 1 . 1 89 89 LYS CA C 13 58.63 0.3 . 1 . . . . . 90 LYS CA . 52034 1 256 . 1 . 1 89 89 LYS N N 15 115.575 0.3 . 1 . . . . . 90 LYS N . 52034 1 257 . 1 . 1 90 90 TYR H H 1 6.836 0.02 . 1 . . . . . 91 TYR H . 52034 1 258 . 1 . 1 90 90 TYR C C 13 177.401 0.3 . 1 . . . . . 91 TYR C . 52034 1 259 . 1 . 1 90 90 TYR CA C 13 59.627 0.3 . 1 . . . . . 91 TYR CA . 52034 1 260 . 1 . 1 90 90 TYR N N 15 110.659 0.3 . 1 . . . . . 91 TYR N . 52034 1 261 . 1 . 1 91 91 SER H H 1 9.814 0.02 . 1 . . . . . 92 SER H . 52034 1 262 . 1 . 1 91 91 SER CA C 13 62.533 0.3 . 1 . . . . . 92 SER CA . 52034 1 263 . 1 . 1 91 91 SER N N 15 118.285 0.3 . 1 . . . . . 92 SER N . 52034 1 264 . 1 . 1 94 94 ILE H H 1 8.96 0.02 . 1 . . . . . 95 ILE H . 52034 1 265 . 1 . 1 94 94 ILE C C 13 176.369 0.3 . 1 . . . . . 95 ILE C . 52034 1 266 . 1 . 1 94 94 ILE CA C 13 57.923 0.3 . 1 . . . . . 95 ILE CA . 52034 1 267 . 1 . 1 94 94 ILE N N 15 125.35 0.3 . 1 . . . . . 95 ILE N . 52034 1 268 . 1 . 1 95 95 VAL H H 1 7.825 0.02 . 1 . . . . . 96 VAL H . 52034 1 269 . 1 . 1 95 95 VAL C C 13 177.821 0.3 . 1 . . . . . 96 VAL C . 52034 1 270 . 1 . 1 95 95 VAL CA C 13 59.239 0.3 . 1 . . . . . 96 VAL CA . 52034 1 271 . 1 . 1 95 95 VAL N N 15 116.373 0.3 . 1 . . . . . 96 VAL N . 52034 1 272 . 1 . 1 96 96 ALA H H 1 8.267 0.02 . 1 . . . . . 97 ALA H . 52034 1 273 . 1 . 1 96 96 ALA C C 13 178.662 0.3 . 1 . . . . . 97 ALA C . 52034 1 274 . 1 . 1 96 96 ALA CA C 13 54.145 0.3 . 1 . . . . . 97 ALA CA . 52034 1 275 . 1 . 1 96 96 ALA N N 15 123.348 0.3 . 1 . . . . . 97 ALA N . 52034 1 276 . 1 . 1 97 97 ASN H H 1 7.339 0.02 . 1 . . . . . 98 ASN H . 52034 1 277 . 1 . 1 97 97 ASN C C 13 175.681 0.3 . 1 . . . . . 98 ASN C . 52034 1 278 . 1 . 1 97 97 ASN CA C 13 52.872 0.3 . 1 . . . . . 98 ASN CA . 52034 1 279 . 1 . 1 97 97 ASN N N 15 115.642 0.3 . 1 . . . . . 98 ASN N . 52034 1 280 . 1 . 1 98 98 GLY H H 1 8.133 0.02 . 1 . . . . . 99 GLY H . 52034 1 281 . 1 . 1 98 98 GLY C C 13 174.904 0.3 . 1 . . . . . 99 GLY C . 52034 1 282 . 1 . 1 98 98 GLY CA C 13 45.757 0.3 . 1 . . . . . 99 GLY CA . 52034 1 283 . 1 . 1 98 98 GLY N N 15 108.401 0.3 . 1 . . . . . 99 GLY N . 52034 1 284 . 1 . 1 99 99 ARG H H 1 7.135 0.02 . 1 . . . . . 100 ARG H . 52034 1 285 . 1 . 1 99 99 ARG C C 13 175.49 0.3 . 1 . . . . . 100 ARG C . 52034 1 286 . 1 . 1 99 99 ARG CA C 13 51.958 0.3 . 1 . . . . . 100 ARG CA . 52034 1 287 . 1 . 1 99 99 ARG N N 15 118.233 0.3 . 1 . . . . . 100 ARG N . 52034 1 288 . 1 . 1 100 100 ASP H H 1 8.209 0.02 . 1 . . . . . 101 ASP H . 52034 1 289 . 1 . 1 100 100 ASP C C 13 176.305 0.3 . 1 . . . . . 101 ASP C . 52034 1 290 . 1 . 1 100 100 ASP CA C 13 53.564 0.3 . 1 . . . . . 101 ASP CA . 52034 1 291 . 1 . 1 100 100 ASP N N 15 121.023 0.3 . 1 . . . . . 101 ASP N . 52034 1 292 . 1 . 1 101 101 LEU H H 1 7.758 0.02 . 1 . . . . . 102 LEU H . 52034 1 293 . 1 . 1 101 101 LEU C C 13 172.369 0.3 . 1 . . . . . 102 LEU C . 52034 1 294 . 1 . 1 101 101 LEU CA C 13 53.398 0.3 . 1 . . . . . 102 LEU CA . 52034 1 295 . 1 . 1 101 101 LEU N N 15 118.631 0.3 . 1 . . . . . 102 LEU N . 52034 1 296 . 1 . 1 102 102 MET H H 1 8.584 0.02 . 1 . . . . . 103 MET H . 52034 1 297 . 1 . 1 102 102 MET C C 13 172.471 0.3 . 1 . . . . . 103 MET C . 52034 1 298 . 1 . 1 102 102 MET CA C 13 52.208 0.3 . 1 . . . . . 103 MET CA . 52034 1 299 . 1 . 1 102 102 MET N N 15 127.599 0.3 . 1 . . . . . 103 MET N . 52034 1 300 . 1 . 1 103 103 ALA H H 1 8.919 0.02 . 1 . . . . . 104 ALA H . 52034 1 301 . 1 . 1 103 103 ALA C C 13 174.856 0.3 . 1 . . . . . 104 ALA C . 52034 1 302 . 1 . 1 103 103 ALA CA C 13 49.033 0.3 . 1 . . . . . 104 ALA CA . 52034 1 303 . 1 . 1 103 103 ALA N N 15 128.44 0.3 . 1 . . . . . 104 ALA N . 52034 1 304 . 1 . 1 104 104 CYS H H 1 8.605 0.02 . 1 . . . . . 105 CYS H . 52034 1 305 . 1 . 1 104 104 CYS C C 13 173.324 0.3 . 1 . . . . . 105 CYS C . 52034 1 306 . 1 . 1 104 104 CYS CA C 13 56.083 0.3 . 1 . . . . . 105 CYS CA . 52034 1 307 . 1 . 1 104 104 CYS N N 15 124.021 0.3 . 1 . . . . . 105 CYS N . 52034 1 308 . 1 . 1 105 105 ALA H H 1 8.05 0.02 . 1 . . . . . 106 ALA H . 52034 1 309 . 1 . 1 105 105 ALA C C 13 175.605 0.3 . 1 . . . . . 106 ALA C . 52034 1 310 . 1 . 1 105 105 ALA CA C 13 50.355 0.3 . 1 . . . . . 106 ALA CA . 52034 1 311 . 1 . 1 105 105 ALA N N 15 126.603 0.3 . 1 . . . . . 106 ALA N . 52034 1 312 . 1 . 1 106 106 GLN H H 1 8.508 0.02 . 1 . . . . . 107 GLN H . 52034 1 313 . 1 . 1 106 106 GLN C C 13 176.42 0.3 . 1 . . . . . 107 GLN C . 52034 1 314 . 1 . 1 106 106 GLN CA C 13 54.921 0.3 . 1 . . . . . 107 GLN CA . 52034 1 315 . 1 . 1 106 106 GLN N N 15 120.225 0.3 . 1 . . . . . 107 GLN N . 52034 1 316 . 1 . 1 114 114 GLY H H 1 7.415 0.02 . 1 . . . . . 115 GLY H . 52034 1 317 . 1 . 1 114 114 GLY C C 13 173.694 0.3 . 1 . . . . . 115 GLY C . 52034 1 318 . 1 . 1 114 114 GLY CA C 13 46.699 0.3 . 1 . . . . . 115 GLY CA . 52034 1 319 . 1 . 1 114 114 GLY N N 15 107.139 0.3 . 1 . . . . . 115 GLY N . 52034 1 320 . 1 . 1 115 115 PHE H H 1 6.524 0.02 . 1 . . . . . 116 PHE H . 52034 1 321 . 1 . 1 115 115 PHE CA C 13 55.336 0.3 . 1 . . . . . 116 PHE CA . 52034 1 322 . 1 . 1 115 115 PHE N N 15 111.36 0.3 . 1 . . . . . 116 PHE N . 52034 1 323 . 1 . 1 119 119 VAL H H 1 6.824 0.02 . 1 . . . . . 120 VAL H . 52034 1 324 . 1 . 1 119 119 VAL C C 13 178.751 0.3 . 1 . . . . . 120 VAL C . 52034 1 325 . 1 . 1 119 119 VAL CA C 13 65.932 0.3 . 1 . . . . . 120 VAL CA . 52034 1 326 . 1 . 1 119 119 VAL N N 15 114.313 0.3 . 1 . . . . . 120 VAL N . 52034 1 327 . 1 . 1 120 120 LEU H H 1 8.248 0.02 . 1 . . . . . 121 LEU H . 52034 1 328 . 1 . 1 120 120 LEU C C 13 176.713 0.3 . 1 . . . . . 121 LEU C . 52034 1 329 . 1 . 1 120 120 LEU CA C 13 56.72 0.3 . 1 . . . . . 121 LEU CA . 52034 1 330 . 1 . 1 120 120 LEU N N 15 119.561 0.3 . 1 . . . . . 121 LEU N . 52034 1 331 . 1 . 1 121 121 SER H H 1 7.834 0.02 . 1 . . . . . 122 SER H . 52034 1 332 . 1 . 1 121 121 SER C C 13 177.146 0.3 . 1 . . . . . 122 SER C . 52034 1 333 . 1 . 1 121 121 SER CA C 13 61.232 0.3 . 1 . . . . . 122 SER CA . 52034 1 334 . 1 . 1 121 121 SER N N 15 111.457 0.3 . 1 . . . . . 122 SER N . 52034 1 335 . 1 . 1 122 122 GLU H H 1 7.828 0.02 . 1 . . . . . 123 GLU H . 52034 1 336 . 1 . 1 122 122 GLU C C 13 180.102 0.3 . 1 . . . . . 123 GLU C . 52034 1 337 . 1 . 1 122 122 GLU CA C 13 58.519 0.3 . 1 . . . . . 123 GLU CA . 52034 1 338 . 1 . 1 122 122 GLU N N 15 114.38 0.3 . 1 . . . . . 123 GLU N . 52034 1 339 . 1 . 1 123 123 SER H H 1 7.879 0.02 . 1 . . . . . 124 SER H . 52034 1 340 . 1 . 1 123 123 SER C C 13 180.127 0.3 . 1 . . . . . 124 SER C . 52034 1 341 . 1 . 1 123 123 SER CA C 13 63.004 0.3 . 1 . . . . . 124 SER CA . 52034 1 342 . 1 . 1 123 123 SER N N 15 117.15 0.3 . 1 . . . . . 124 SER N . 52034 1 343 . 1 . 1 133 133 GLU H H 1 8.362 0.02 . 1 . . . . . 134 GLU H . 52034 1 344 . 1 . 1 133 133 GLU C C 13 176.793 0.3 . 1 . . . . . 134 GLU C . 52034 1 345 . 1 . 1 133 133 GLU CA C 13 56.307 0.3 . 1 . . . . . 134 GLU CA . 52034 1 346 . 1 . 1 133 133 GLU N N 15 121.886 0.3 . 1 . . . . . 134 GLU N . 52034 1 347 . 1 . 1 134 134 SER H H 1 8.231 0.02 . 1 . . . . . 135 SER H . 52034 1 348 . 1 . 1 134 134 SER C C 13 176.726 0.3 . 1 . . . . . 135 SER C . 52034 1 349 . 1 . 1 134 134 SER CA C 13 57.8 0.3 . 1 . . . . . 135 SER CA . 52034 1 350 . 1 . 1 134 134 SER N N 15 116.864 0.3 . 1 . . . . . 135 SER N . 52034 1 351 . 1 . 1 141 141 ARG H H 1 8.291 0.02 . 1 . . . . . 142 ARG H . 52034 1 352 . 1 . 1 141 141 ARG C C 13 176.038 0.3 . 1 . . . . . 142 ARG C . 52034 1 353 . 1 . 1 141 141 ARG CA C 13 56.111 0.3 . 1 . . . . . 142 ARG CA . 52034 1 354 . 1 . 1 141 141 ARG N N 15 120.975 0.3 . 1 . . . . . 142 ARG N . 52034 1 355 . 1 . 1 142 142 LYS H H 1 7.981 0.02 . 1 . . . . . 143 LYS H . 52034 1 356 . 1 . 1 142 142 LYS C C 13 174.229 0.3 . 1 . . . . . 143 LYS C . 52034 1 357 . 1 . 1 142 142 LYS CA C 13 55.114 0.3 . 1 . . . . . 143 LYS CA . 52034 1 358 . 1 . 1 142 142 LYS N N 15 122.418 0.3 . 1 . . . . . 143 LYS N . 52034 1 359 . 1 . 1 143 143 ALA H H 1 7.428 0.02 . 1 . . . . . 144 ALA H . 52034 1 360 . 1 . 1 143 143 ALA C C 13 175.948 0.3 . 1 . . . . . 144 ALA C . 52034 1 361 . 1 . 1 143 143 ALA CA C 13 50.87 0.3 . 1 . . . . . 144 ALA CA . 52034 1 362 . 1 . 1 143 143 ALA N N 15 122.218 0.3 . 1 . . . . . 144 ALA N . 52034 1 363 . 1 . 1 144 144 TYR H H 1 8.718 0.02 . 1 . . . . . 145 TYR H . 52034 1 364 . 1 . 1 144 144 TYR C C 13 173.198 0.3 . 1 . . . . . 145 TYR C . 52034 1 365 . 1 . 1 144 144 TYR CA C 13 55.205 0.3 . 1 . . . . . 145 TYR CA . 52034 1 366 . 1 . 1 144 144 TYR N N 15 118.764 0.3 . 1 . . . . . 145 TYR N . 52034 1 367 . 1 . 1 147 147 ALA H H 1 8.429 0.02 . 1 . . . . . 148 ALA H . 52034 1 368 . 1 . 1 147 147 ALA C C 13 175.146 0.3 . 1 . . . . . 148 ALA C . 52034 1 369 . 1 . 1 147 147 ALA CA C 13 49.467 0.3 . 1 . . . . . 148 ALA CA . 52034 1 370 . 1 . 1 147 147 ALA N N 15 124.852 0.3 . 1 . . . . . 148 ALA N . 52034 1 371 . 1 . 1 148 148 VAL H H 1 8.496 0.02 . 1 . . . . . 149 VAL H . 52034 1 372 . 1 . 1 148 148 VAL C C 13 173.16 0.3 . 1 . . . . . 149 VAL C . 52034 1 373 . 1 . 1 148 148 VAL CA C 13 60.153 0.3 . 1 . . . . . 149 VAL CA . 52034 1 374 . 1 . 1 148 148 VAL N N 15 122.511 0.3 . 1 . . . . . 149 VAL N . 52034 1 375 . 1 . 1 149 149 ILE H H 1 9.233 0.02 . 1 . . . . . 150 ILE H . 52034 1 376 . 1 . 1 149 149 ILE C C 13 174.483 0.3 . 1 . . . . . 150 ILE C . 52034 1 377 . 1 . 1 149 149 ILE CA C 13 58.824 0.3 . 1 . . . . . 150 ILE CA . 52034 1 378 . 1 . 1 149 149 ILE N N 15 127.599 0.3 . 1 . . . . . 150 ILE N . 52034 1 379 . 1 . 1 150 150 MET H H 1 8.991 0.02 . 1 . . . . . 151 MET H . 52034 1 380 . 1 . 1 150 150 MET C C 13 173.006 0.3 . 1 . . . . . 151 MET C . 52034 1 381 . 1 . 1 150 150 MET CA C 13 53.515 0.3 . 1 . . . . . 151 MET CA . 52034 1 382 . 1 . 1 150 150 MET N N 15 124.344 0.3 . 1 . . . . . 151 MET N . 52034 1 383 . 1 . 1 151 151 ALA H H 1 8.228 0.02 . 1 . . . . . 152 ALA H . 52034 1 384 . 1 . 1 151 151 ALA C C 13 176.191 0.3 . 1 . . . . . 152 ALA C . 52034 1 385 . 1 . 1 151 151 ALA CA C 13 48.004 0.3 . 1 . . . . . 152 ALA CA . 52034 1 386 . 1 . 1 151 151 ALA N N 15 123.547 0.3 . 1 . . . . . 152 ALA N . 52034 1 387 . 1 . 1 155 155 GLU H H 1 9.112 0.02 . 1 . . . . . 156 GLU H . 52034 1 388 . 1 . 1 155 155 GLU C C 13 178.662 0.3 . 1 . . . . . 156 GLU C . 52034 1 389 . 1 . 1 155 155 GLU CA C 13 60.236 0.3 . 1 . . . . . 156 GLU CA . 52034 1 390 . 1 . 1 155 155 GLU N N 15 120.956 0.3 . 1 . . . . . 156 GLU N . 52034 1 391 . 1 . 1 156 156 LEU H H 1 7.65 0.02 . 1 . . . . . 157 LEU H . 52034 1 392 . 1 . 1 156 156 LEU C C 13 178.675 0.3 . 1 . . . . . 157 LEU C . 52034 1 393 . 1 . 1 156 156 LEU CA C 13 56.748 0.3 . 1 . . . . . 157 LEU CA . 52034 1 394 . 1 . 1 156 156 LEU N N 15 121.222 0.3 . 1 . . . . . 157 LEU N . 52034 1 395 . 1 . 1 157 157 ALA H H 1 8.375 0.02 . 1 . . . . . 158 ALA H . 52034 1 396 . 1 . 1 157 157 ALA C C 13 179.273 0.3 . 1 . . . . . 158 ALA C . 52034 1 397 . 1 . 1 157 157 ALA CA C 13 54.727 0.3 . 1 . . . . . 158 ALA CA . 52034 1 398 . 1 . 1 157 157 ALA N N 15 120.292 0.3 . 1 . . . . . 158 ALA N . 52034 1 399 . 1 . 1 158 158 THR H H 1 8.298 0.02 . 1 . . . . . 159 THR H . 52034 1 400 . 1 . 1 158 158 THR C C 13 179.324 0.3 . 1 . . . . . 159 THR C . 52034 1 401 . 1 . 1 158 158 THR CA C 13 67.018 0.3 . 1 . . . . . 159 THR CA . 52034 1 402 . 1 . 1 158 158 THR N N 15 111.988 0.3 . 1 . . . . . 159 THR N . 52034 1 403 . 1 . 1 159 159 GLN H H 1 7.567 0.02 . 1 . . . . . 160 GLN H . 52034 1 404 . 1 . 1 159 159 GLN C C 13 179.363 0.3 . 1 . . . . . 160 GLN C . 52034 1 405 . 1 . 1 159 159 GLN CA C 13 59.172 0.3 . 1 . . . . . 160 GLN CA . 52034 1 406 . 1 . 1 159 159 GLN N N 15 122.617 0.3 . 1 . . . . . 160 GLN N . 52034 1 407 . 1 . 1 160 160 ILE H H 1 8.356 0.02 . 1 . . . . . 161 ILE H . 52034 1 408 . 1 . 1 160 160 ILE C C 13 177.91 0.3 . 1 . . . . . 161 ILE C . 52034 1 409 . 1 . 1 160 160 ILE CA C 13 65.08 0.3 . 1 . . . . . 161 ILE CA . 52034 1 410 . 1 . 1 160 160 ILE N N 15 119.628 0.3 . 1 . . . . . 161 ILE N . 52034 1 411 . 1 . 1 161 161 PHE H H 1 8.455 0.02 . 1 . . . . . 162 PHE H . 52034 1 412 . 1 . 1 161 161 PHE C C 13 175.681 0.3 . 1 . . . . . 162 PHE C . 52034 1 413 . 1 . 1 161 161 PHE CA C 13 61.122 0.3 . 1 . . . . . 162 PHE CA . 52034 1 414 . 1 . 1 161 161 PHE N N 15 120.696 0.3 . 1 . . . . . 162 PHE N . 52034 1 415 . 1 . 1 162 162 ASP H H 1 8.788 0.02 . 1 . . . . . 163 ASP H . 52034 1 416 . 1 . 1 162 162 ASP C C 13 180.165 0.3 . 1 . . . . . 163 ASP C . 52034 1 417 . 1 . 1 162 162 ASP CA C 13 57.218 0.3 . 1 . . . . . 163 ASP CA . 52034 1 418 . 1 . 1 162 162 ASP N N 15 120.225 0.3 . 1 . . . . . 163 ASP N . 52034 1 419 . 1 . 1 163 163 GLU H H 1 7.389 0.02 . 1 . . . . . 164 GLU H . 52034 1 420 . 1 . 1 163 163 GLU C C 13 178.165 0.3 . 1 . . . . . 164 GLU C . 52034 1 421 . 1 . 1 163 163 GLU CA C 13 58.409 0.3 . 1 . . . . . 164 GLU CA . 52034 1 422 . 1 . 1 163 163 GLU N N 15 119.03 0.3 . 1 . . . . . 164 GLU N . 52034 1 423 . 1 . 1 164 164 ALA H H 1 8.686 0.02 . 1 . . . . . 165 ALA H . 52034 1 424 . 1 . 1 164 164 ALA C C 13 179.961 0.3 . 1 . . . . . 165 ALA C . 52034 1 425 . 1 . 1 164 164 ALA CA C 13 55.114 0.3 . 1 . . . . . 165 ALA CA . 52034 1 426 . 1 . 1 164 164 ALA N N 15 121.753 0.3 . 1 . . . . . 165 ALA N . 52034 1 427 . 1 . 1 165 165 LYS H H 1 8.368 0.02 . 1 . . . . . 166 LYS H . 52034 1 428 . 1 . 1 165 165 LYS C C 13 177.605 0.3 . 1 . . . . . 166 LYS C . 52034 1 429 . 1 . 1 165 165 LYS CA C 13 58.658 0.3 . 1 . . . . . 166 LYS CA . 52034 1 430 . 1 . 1 165 165 LYS N N 15 118.897 0.3 . 1 . . . . . 166 LYS N . 52034 1 431 . 1 . 1 166 166 LYS H H 1 6.646 0.02 . 1 . . . . . 167 LYS H . 52034 1 432 . 1 . 1 166 166 LYS C C 13 176.777 0.3 . 1 . . . . . 167 LYS C . 52034 1 433 . 1 . 1 166 166 LYS CA C 13 58.159 0.3 . 1 . . . . . 167 LYS CA . 52034 1 434 . 1 . 1 166 166 LYS N N 15 117.236 0.3 . 1 . . . . . 167 LYS N . 52034 1 435 . 1 . 1 167 167 PHE H H 1 7.122 0.02 . 1 . . . . . 168 PHE H . 52034 1 436 . 1 . 1 167 167 PHE C C 13 176.42 0.3 . 1 . . . . . 168 PHE C . 52034 1 437 . 1 . 1 167 167 PHE CA C 13 60.983 0.3 . 1 . . . . . 168 PHE CA . 52034 1 438 . 1 . 1 167 167 PHE N N 15 111.058 0.3 . 1 . . . . . 168 PHE N . 52034 1 439 . 1 . 1 169 169 TYR H H 1 6.906 0.02 . 1 . . . . . 170 TYR H . 52034 1 440 . 1 . 1 169 169 TYR C C 13 174.331 0.3 . 1 . . . . . 170 TYR C . 52034 1 441 . 1 . 1 169 169 TYR CA C 13 59.172 0.3 . 1 . . . . . 170 TYR CA . 52034 1 442 . 1 . 1 169 169 TYR N N 15 127.001 0.3 . 1 . . . . . 170 TYR N . 52034 1 443 . 1 . 1 170 170 ARG H H 1 8.108 0.02 . 1 . . . . . 171 ARG H . 52034 1 444 . 1 . 1 170 170 ARG C C 13 175.617 0.3 . 1 . . . . . 171 ARG C . 52034 1 445 . 1 . 1 170 170 ARG CA C 13 59.378 0.3 . 1 . . . . . 171 ARG CA . 52034 1 446 . 1 . 1 170 170 ARG N N 15 118.233 0.3 . 1 . . . . . 171 ARG N . 52034 1 447 . 1 . 1 171 171 SER H H 1 8.324 0.02 . 1 . . . . . 172 SER H . 52034 1 448 . 1 . 1 171 171 SER C C 13 176.535 0.3 . 1 . . . . . 172 SER C . 52034 1 449 . 1 . 1 171 171 SER CA C 13 58.076 0.3 . 1 . . . . . 172 SER CA . 52034 1 450 . 1 . 1 171 171 SER N N 15 115.575 0.3 . 1 . . . . . 172 SER N . 52034 1 451 . 1 . 1 172 172 TRP H H 1 9.926 0.02 . 1 . . . . . 173 TRP H . 52034 1 452 . 1 . 1 172 172 TRP C C 13 174.815 0.3 . 1 . . . . . 173 TRP C . 52034 1 453 . 1 . 1 172 172 TRP CA C 13 57.052 0.3 . 1 . . . . . 173 TRP CA . 52034 1 454 . 1 . 1 172 172 TRP N N 15 120.292 0.3 . 1 . . . . . 173 TRP N . 52034 1 455 . 1 . 1 173 173 VAL H H 1 6.861 0.02 . 1 . . . . . 174 VAL H . 52034 1 456 . 1 . 1 173 173 VAL C C 13 175.464 0.3 . 1 . . . . . 174 VAL C . 52034 1 457 . 1 . 1 173 173 VAL CA C 13 62.81 0.3 . 1 . . . . . 174 VAL CA . 52034 1 458 . 1 . 1 173 173 VAL N N 15 119.951 0.3 . 1 . . . . . 174 VAL N . 52034 1 459 . 1 . 1 174 174 LYS H H 1 9.817 0.02 . 1 . . . . . 175 LYS H . 52034 1 460 . 1 . 1 174 174 LYS C C 13 176.334 0.3 . 1 . . . . . 175 LYS C . 52034 1 461 . 1 . 1 174 174 LYS CA C 13 54.69 0.3 . 1 . . . . . 175 LYS CA . 52034 1 462 . 1 . 1 174 174 LYS N N 15 130.756 0.3 . 1 . . . . . 175 LYS N . 52034 1 463 . 1 . 1 175 175 ALA H H 1 8.947 0.02 . 1 . . . . . 176 ALA H . 52034 1 464 . 1 . 1 175 175 ALA C C 13 176.818 0.3 . 1 . . . . . 176 ALA C . 52034 1 465 . 1 . 1 175 175 ALA CA C 13 50.062 0.3 . 1 . . . . . 176 ALA CA . 52034 1 466 . 1 . 1 175 175 ALA N N 15 129.924 0.3 . 1 . . . . . 176 ALA N . 52034 1 467 . 1 . 1 176 176 CYS H H 1 8.902 0.02 . 1 . . . . . 177 CYS H . 52034 1 468 . 1 . 1 176 176 CYS C C 13 171.35 0.3 . 1 . . . . . 177 CYS C . 52034 1 469 . 1 . 1 176 176 CYS CA C 13 57.661 0.3 . 1 . . . . . 177 CYS CA . 52034 1 470 . 1 . 1 176 176 CYS N N 15 120.425 0.3 . 1 . . . . . 177 CYS N . 52034 1 471 . 1 . 1 177 177 VAL H H 1 8.114 0.02 . 1 . . . . . 178 VAL H . 52034 1 472 . 1 . 1 177 177 VAL C C 13 172.165 0.3 . 1 . . . . . 178 VAL C . 52034 1 473 . 1 . 1 177 177 VAL CA C 13 57.105 0.3 . 1 . . . . . 178 VAL CA . 52034 1 474 . 1 . 1 177 177 VAL N N 15 124.543 0.3 . 1 . . . . . 178 VAL N . 52034 1 475 . 1 . 1 178 178 VAL H H 1 8.501 0.02 . 1 . . . . . 179 VAL H . 52034 1 476 . 1 . 1 178 178 VAL C C 13 172.432 0.3 . 1 . . . . . 179 VAL C . 52034 1 477 . 1 . 1 178 178 VAL CA C 13 58.436 0.3 . 1 . . . . . 179 VAL CA . 52034 1 478 . 1 . 1 178 178 VAL N N 15 117.514 0.3 . 1 . . . . . 179 VAL N . 52034 1 479 . 1 . 1 179 179 TYR H H 1 6.22 0.02 . 1 . . . . . 180 TYR H . 52034 1 480 . 1 . 1 179 179 TYR C C 13 175.426 0.3 . 1 . . . . . 180 TYR C . 52034 1 481 . 1 . 1 179 179 TYR CA C 13 53.73 0.3 . 1 . . . . . 180 TYR CA . 52034 1 482 . 1 . 1 179 179 TYR N N 15 113.848 0.3 . 1 . . . . . 180 TYR N . 52034 1 483 . 1 . 1 180 180 GLY H H 1 7.656 0.02 . 1 . . . . . 181 GLY H . 52034 1 484 . 1 . 1 180 180 GLY C C 13 174.42 0.3 . 1 . . . . . 181 GLY C . 52034 1 485 . 1 . 1 180 180 GLY CA C 13 44.179 0.3 . 1 . . . . . 181 GLY CA . 52034 1 486 . 1 . 1 180 180 GLY N N 15 106.209 0.3 . 1 . . . . . 181 GLY N . 52034 1 487 . 1 . 1 181 181 GLY H H 1 7.752 0.02 . 1 . . . . . 182 GLY H . 52034 1 488 . 1 . 1 181 181 GLY C C 13 173.248 0.3 . 1 . . . . . 182 GLY C . 52034 1 489 . 1 . 1 181 181 GLY CA C 13 44.484 0.3 . 1 . . . . . 182 GLY CA . 52034 1 490 . 1 . 1 181 181 GLY N N 15 109.929 0.3 . 1 . . . . . 182 GLY N . 52034 1 491 . 1 . 1 182 182 SER H H 1 7.777 0.02 . 1 . . . . . 183 SER H . 52034 1 492 . 1 . 1 182 182 SER C C 13 178.777 0.3 . 1 . . . . . 183 SER C . 52034 1 493 . 1 . 1 182 182 SER CA C 13 59.613 0.3 . 1 . . . . . 183 SER CA . 52034 1 494 . 1 . 1 182 182 SER N N 15 121.554 0.3 . 1 . . . . . 183 SER N . 52034 1 495 . 1 . 1 187 187 GLN H H 1 6.938 0.02 . 1 . . . . . 188 GLN H . 52034 1 496 . 1 . 1 187 187 GLN C C 13 178.649 0.3 . 1 . . . . . 188 GLN C . 52034 1 497 . 1 . 1 187 187 GLN CA C 13 57.689 0.3 . 1 . . . . . 188 GLN CA . 52034 1 498 . 1 . 1 187 187 GLN N N 15 119.229 0.3 . 1 . . . . . 188 GLN N . 52034 1 499 . 1 . 1 188 188 LEU H H 1 8.273 0.02 . 1 . . . . . 189 LEU H . 52034 1 500 . 1 . 1 188 188 LEU C C 13 178.942 0.3 . 1 . . . . . 189 LEU C . 52034 1 501 . 1 . 1 188 188 LEU CA C 13 57.661 0.3 . 1 . . . . . 189 LEU CA . 52034 1 502 . 1 . 1 188 188 LEU N N 15 119.03 0.3 . 1 . . . . . 189 LEU N . 52034 1 503 . 1 . 1 189 189 ARG H H 1 7.256 0.02 . 1 . . . . . 190 ARG H . 52034 1 504 . 1 . 1 189 189 ARG C C 13 179.008 0.3 . 1 . . . . . 190 ARG C . 52034 1 505 . 1 . 1 189 189 ARG CA C 13 58.353 0.3 . 1 . . . . . 190 ARG CA . 52034 1 506 . 1 . 1 189 189 ARG N N 15 116.97 0.3 . 1 . . . . . 190 ARG N . 52034 1 507 . 1 . 1 190 190 GLU H H 1 7.275 0.02 . 1 . . . . . 191 GLU H . 52034 1 508 . 1 . 1 190 190 GLU C C 13 179.668 0.3 . 1 . . . . . 191 GLU C . 52034 1 509 . 1 . 1 190 190 GLU CA C 13 58.436 0.3 . 1 . . . . . 191 GLU CA . 52034 1 510 . 1 . 1 190 190 GLU N N 15 118.365 0.3 . 1 . . . . . 191 GLU N . 52034 1 511 . 1 . 1 191 191 ILE H H 1 8.022 0.02 . 1 . . . . . 192 ILE H . 52034 1 512 . 1 . 1 191 191 ILE C C 13 178.675 0.3 . 1 . . . . . 192 ILE C . 52034 1 513 . 1 . 1 191 191 ILE CA C 13 63.948 0.3 . 1 . . . . . 192 ILE CA . 52034 1 514 . 1 . 1 191 191 ILE N N 15 119.413 0.3 . 1 . . . . . 192 ILE N . 52034 1 515 . 1 . 1 192 192 GLU H H 1 7.485 0.02 . 1 . . . . . 193 GLU H . 52034 1 516 . 1 . 1 192 192 GLU C C 13 177.796 0.3 . 1 . . . . . 193 GLU C . 52034 1 517 . 1 . 1 192 192 GLU CA C 13 57.883 0.3 . 1 . . . . . 193 GLU CA . 52034 1 518 . 1 . 1 192 192 GLU N N 15 118.631 0.3 . 1 . . . . . 193 GLU N . 52034 1 519 . 1 . 1 193 193 ARG H H 1 7.256 0.02 . 1 . . . . . 194 ARG H . 52034 1 520 . 1 . 1 193 193 ARG C C 13 176.878 0.3 . 1 . . . . . 194 ARG C . 52034 1 521 . 1 . 1 193 193 ARG CA C 13 56.914 0.3 . 1 . . . . . 194 ARG CA . 52034 1 522 . 1 . 1 193 193 ARG N N 15 117.568 0.3 . 1 . . . . . 194 ARG N . 52034 1 523 . 1 . 1 194 194 GLY H H 1 7.3 0.02 . 1 . . . . . 195 GLY H . 52034 1 524 . 1 . 1 194 194 GLY C C 13 171.897 0.3 . 1 . . . . . 195 GLY C . 52034 1 525 . 1 . 1 194 194 GLY CA C 13 45.342 0.3 . 1 . . . . . 195 GLY CA . 52034 1 526 . 1 . 1 194 194 GLY N N 15 109.198 0.3 . 1 . . . . . 195 GLY N . 52034 1 527 . 1 . 1 195 195 CYS H H 1 8.921 0.02 . 1 . . . . . 196 CYS H . 52034 1 528 . 1 . 1 195 195 CYS C C 13 171.821 0.3 . 1 . . . . . 196 CYS C . 52034 1 529 . 1 . 1 195 195 CYS CA C 13 58.159 0.3 . 1 . . . . . 196 CYS CA . 52034 1 530 . 1 . 1 195 195 CYS N N 15 125.274 0.3 . 1 . . . . . 196 CYS N . 52034 1 531 . 1 . 1 196 196 ASP H H 1 8.692 0.02 . 1 . . . . . 197 ASP H . 52034 1 532 . 1 . 1 196 196 ASP C C 13 175.923 0.3 . 1 . . . . . 197 ASP C . 52034 1 533 . 1 . 1 196 196 ASP CA C 13 55.572 0.3 . 1 . . . . . 197 ASP CA . 52034 1 534 . 1 . 1 196 196 ASP N N 15 122.617 0.3 . 1 . . . . . 197 ASP N . 52034 1 535 . 1 . 1 197 197 LEU H H 1 7.706 0.02 . 1 . . . . . 198 LEU H . 52034 1 536 . 1 . 1 197 197 LEU C C 13 172.432 0.3 . 1 . . . . . 198 LEU C . 52034 1 537 . 1 . 1 197 197 LEU CA C 13 53.398 0.3 . 1 . . . . . 198 LEU CA . 52034 1 538 . 1 . 1 197 197 LEU N N 15 122.039 0.3 . 1 . . . . . 198 LEU N . 52034 1 539 . 1 . 1 198 198 LEU H H 1 8.699 0.02 . 1 . . . . . 199 LEU H . 52034 1 540 . 1 . 1 198 198 LEU C C 13 173.391 0.3 . 1 . . . . . 199 LEU C . 52034 1 541 . 1 . 1 198 198 LEU CA C 13 52.266 0.3 . 1 . . . . . 199 LEU CA . 52034 1 542 . 1 . 1 198 198 LEU N N 15 128.994 0.3 . 1 . . . . . 199 LEU N . 52034 1 543 . 1 . 1 199 199 VAL H H 1 8.938 0.02 . 1 . . . . . 200 VAL H . 52034 1 544 . 1 . 1 199 199 VAL C C 13 174.585 0.3 . 1 . . . . . 200 VAL C . 52034 1 545 . 1 . 1 199 199 VAL CA C 13 60.274 0.3 . 1 . . . . . 200 VAL CA . 52034 1 546 . 1 . 1 199 199 VAL N N 15 129.403 0.3 . 1 . . . . . 200 VAL N . 52034 1 547 . 1 . 1 200 200 ALA H H 1 9.176 0.02 . 1 . . . . . 201 ALA H . 52034 1 548 . 1 . 1 200 200 ALA C C 13 177.095 0.3 . 1 . . . . . 201 ALA C . 52034 1 549 . 1 . 1 200 200 ALA CA C 13 49.841 0.3 . 1 . . . . . 201 ALA CA . 52034 1 550 . 1 . 1 200 200 ALA N N 15 127.865 0.3 . 1 . . . . . 201 ALA N . 52034 1 551 . 1 . 1 201 201 THR H H 1 6.836 0.02 . 1 . . . . . 202 THR H . 52034 1 552 . 1 . 1 201 201 THR C C 13 175.222 0.3 . 1 . . . . . 202 THR C . 52034 1 553 . 1 . 1 201 201 THR CA C 13 58.076 0.3 . 1 . . . . . 202 THR CA . 52034 1 554 . 1 . 1 201 201 THR N N 15 109.796 0.3 . 1 . . . . . 202 THR N . 52034 1 555 . 1 . 1 206 206 ASN H H 1 8.076 0.02 . 1 . . . . . 207 ASN H . 52034 1 556 . 1 . 1 206 206 ASN C C 13 177.299 0.3 . 1 . . . . . 207 ASN C . 52034 1 557 . 1 . 1 206 206 ASN CA C 13 57.329 0.3 . 1 . . . . . 207 ASN CA . 52034 1 558 . 1 . 1 206 206 ASN N N 15 117.435 0.3 . 1 . . . . . 207 ASN N . 52034 1 559 . 1 . 1 207 207 ASP H H 1 7.936 0.02 . 1 . . . . . 208 ASP H . 52034 1 560 . 1 . 1 207 207 ASP C C 13 178.828 0.3 . 1 . . . . . 208 ASP C . 52034 1 561 . 1 . 1 207 207 ASP CA C 13 57.274 0.3 . 1 . . . . . 208 ASP CA . 52034 1 562 . 1 . 1 207 207 ASP N N 15 119.295 0.3 . 1 . . . . . 208 ASP N . 52034 1 563 . 1 . 1 208 208 LEU H H 1 7.748 0.02 . 1 . . . . . 209 LEU H . 52034 1 564 . 1 . 1 208 208 LEU C C 13 179.133 0.3 . 1 . . . . . 209 LEU C . 52034 1 565 . 1 . 1 208 208 LEU CA C 13 57.661 0.3 . 1 . . . . . 209 LEU CA . 52034 1 566 . 1 . 1 208 208 LEU N N 15 118.665 0.3 . 1 . . . . . 209 LEU N . 52034 1 567 . 1 . 1 209 209 LEU H H 1 7.989 0.02 . 1 . . . . . 210 LEU H . 52034 1 568 . 1 . 1 209 209 LEU C C 13 181.414 0.3 . 1 . . . . . 210 LEU C . 52034 1 569 . 1 . 1 209 209 LEU CA C 13 57.606 0.3 . 1 . . . . . 210 LEU CA . 52034 1 570 . 1 . 1 209 209 LEU N N 15 121.478 0.3 . 1 . . . . . 210 LEU N . 52034 1 571 . 1 . 1 210 210 GLU H H 1 8.464 0.02 . 1 . . . . . 211 GLU H . 52034 1 572 . 1 . 1 210 210 GLU C C 13 178.815 0.3 . 1 . . . . . 211 GLU C . 52034 1 573 . 1 . 1 210 210 GLU CA C 13 58.852 0.3 . 1 . . . . . 211 GLU CA . 52034 1 574 . 1 . 1 210 210 GLU N N 15 122.816 0.3 . 1 . . . . . 211 GLU N . 52034 1 575 . 1 . 1 211 211 ARG H H 1 7.409 0.02 . 1 . . . . . 212 ARG H . 52034 1 576 . 1 . 1 211 211 ARG C C 13 176.815 0.3 . 1 . . . . . 212 ARG C . 52034 1 577 . 1 . 1 211 211 ARG CA C 13 55.502 0.3 . 1 . . . . . 212 ARG CA . 52034 1 578 . 1 . 1 211 211 ARG N N 15 114.911 0.3 . 1 . . . . . 212 ARG N . 52034 1 579 . 1 . 1 212 212 GLY H H 1 7.828 0.02 . 1 . . . . . 213 GLY H . 52034 1 580 . 1 . 1 212 212 GLY C C 13 175.057 0.3 . 1 . . . . . 213 GLY C . 52034 1 581 . 1 . 1 212 212 GLY CA C 13 45.923 0.3 . 1 . . . . . 213 GLY CA . 52034 1 582 . 1 . 1 212 212 GLY N N 15 108.334 0.3 . 1 . . . . . 213 GLY N . 52034 1 583 . 1 . 1 213 213 LYS H H 1 7.44 0.02 . 1 . . . . . 214 LYS H . 52034 1 584 . 1 . 1 213 213 LYS C C 13 175.808 0.3 . 1 . . . . . 214 LYS C . 52034 1 585 . 1 . 1 213 213 LYS CA C 13 54.09 0.3 . 1 . . . . . 214 LYS CA . 52034 1 586 . 1 . 1 213 213 LYS N N 15 113.394 0.3 . 1 . . . . . 214 LYS N . 52034 1 587 . 1 . 1 214 214 ILE H H 1 6.906 0.02 . 1 . . . . . 215 ILE H . 52034 1 588 . 1 . 1 214 214 ILE C C 13 173.171 0.3 . 1 . . . . . 215 ILE C . 52034 1 589 . 1 . 1 214 214 ILE CA C 13 57.855 0.3 . 1 . . . . . 215 ILE CA . 52034 1 590 . 1 . 1 214 214 ILE N N 15 114.911 0.3 . 1 . . . . . 215 ILE N . 52034 1 591 . 1 . 1 215 215 SER H H 1 8.47 0.02 . 1 . . . . . 216 SER H . 52034 1 592 . 1 . 1 215 215 SER C C 13 174.585 0.3 . 1 . . . . . 216 SER C . 52034 1 593 . 1 . 1 215 215 SER CA C 13 55.308 0.3 . 1 . . . . . 216 SER CA . 52034 1 594 . 1 . 1 215 215 SER N N 15 119.096 0.3 . 1 . . . . . 216 SER N . 52034 1 595 . 1 . 1 216 216 LEU H H 1 9.415 0.02 . 1 . . . . . 217 LEU H . 52034 1 596 . 1 . 1 216 216 LEU C C 13 176.436 0.3 . 1 . . . . . 217 LEU C . 52034 1 597 . 1 . 1 216 216 LEU CA C 13 53.147 0.3 . 1 . . . . . 217 LEU CA . 52034 1 598 . 1 . 1 216 216 LEU N N 15 129.521 0.3 . 1 . . . . . 217 LEU N . 52034 1 599 . 1 . 1 217 217 ALA H H 1 7.621 0.02 . 1 . . . . . 218 ALA H . 52034 1 600 . 1 . 1 217 217 ALA C C 13 176.496 0.3 . 1 . . . . . 218 ALA C . 52034 1 601 . 1 . 1 217 217 ALA CA C 13 53.758 0.3 . 1 . . . . . 218 ALA CA . 52034 1 602 . 1 . 1 217 217 ALA N N 15 122.306 0.3 . 1 . . . . . 218 ALA N . 52034 1 603 . 1 . 1 218 218 ASN H H 1 8.661 0.02 . 1 . . . . . 219 ASN H . 52034 1 604 . 1 . 1 218 218 ASN C C 13 175.528 0.3 . 1 . . . . . 219 ASN C . 52034 1 605 . 1 . 1 218 218 ASN CA C 13 50.408 0.3 . 1 . . . . . 219 ASN CA . 52034 1 606 . 1 . 1 218 218 ASN N N 15 115.509 0.3 . 1 . . . . . 219 ASN N . 52034 1 607 . 1 . 1 219 219 VAL H H 1 7.14 0.02 . 1 . . . . . 220 VAL H . 52034 1 608 . 1 . 1 219 219 VAL C C 13 176.84 0.3 . 1 . . . . . 220 VAL C . 52034 1 609 . 1 . 1 219 219 VAL CA C 13 64.315 0.3 . 1 . . . . . 220 VAL CA . 52034 1 610 . 1 . 1 219 219 VAL N N 15 121.503 0.3 . 1 . . . . . 220 VAL N . 52034 1 611 . 1 . 1 220 220 LYS H H 1 9.383 0.02 . 1 . . . . . 221 LYS H . 52034 1 612 . 1 . 1 220 220 LYS C C 13 176.14 0.3 . 1 . . . . . 221 LYS C . 52034 1 613 . 1 . 1 220 220 LYS CA C 13 56.498 0.3 . 1 . . . . . 221 LYS CA . 52034 1 614 . 1 . 1 220 220 LYS N N 15 127.733 0.3 . 1 . . . . . 221 LYS N . 52034 1 615 . 1 . 1 221 221 TYR H H 1 7.4 0.02 . 1 . . . . . 222 TYR H . 52034 1 616 . 1 . 1 221 221 TYR C C 13 172.904 0.3 . 1 . . . . . 222 TYR C . 52034 1 617 . 1 . 1 221 221 TYR CA C 13 55.352 0.3 . 1 . . . . . 222 TYR CA . 52034 1 618 . 1 . 1 221 221 TYR N N 15 117.704 0.3 . 1 . . . . . 222 TYR N . 52034 1 619 . 1 . 1 222 222 LEU H H 1 9.099 0.02 . 1 . . . . . 223 LEU H . 52034 1 620 . 1 . 1 222 222 LEU C C 13 173.553 0.3 . 1 . . . . . 223 LEU C . 52034 1 621 . 1 . 1 222 222 LEU CA C 13 52.486 0.3 . 1 . . . . . 223 LEU CA . 52034 1 622 . 1 . 1 222 222 LEU N N 15 126.603 0.3 . 1 . . . . . 223 LEU N . 52034 1 623 . 1 . 1 223 223 VAL H H 1 9.083 0.02 . 1 . . . . . 224 VAL H . 52034 1 624 . 1 . 1 223 223 VAL C C 13 174.917 0.3 . 1 . . . . . 224 VAL C . 52034 1 625 . 1 . 1 223 223 VAL CA C 13 59.045 0.3 . 1 . . . . . 224 VAL CA . 52034 1 626 . 1 . 1 223 223 VAL N N 15 124.903 0.3 . 1 . . . . . 224 VAL N . 52034 1 627 . 1 . 1 224 224 LEU H H 1 8.673 0.02 . 1 . . . . . 225 LEU H . 52034 1 628 . 1 . 1 224 224 LEU C C 13 173.248 0.3 . 1 . . . . . 225 LEU C . 52034 1 629 . 1 . 1 224 224 LEU CA C 13 54.617 0.3 . 1 . . . . . 225 LEU CA . 52034 1 630 . 1 . 1 224 224 LEU N N 15 127.134 0.3 . 1 . . . . . 225 LEU N . 52034 1 631 . 1 . 1 225 225 ASP H H 1 8.502 0.02 . 1 . . . . . 226 ASP H . 52034 1 632 . 1 . 1 225 225 ASP C C 13 174.547 0.3 . 1 . . . . . 226 ASP C . 52034 1 633 . 1 . 1 225 225 ASP CA C 13 52.401 0.3 . 1 . . . . . 226 ASP CA . 52034 1 634 . 1 . 1 225 225 ASP N N 15 124.344 0.3 . 1 . . . . . 226 ASP N . 52034 1 635 . 1 . 1 226 226 GLU H H 1 7.663 0.02 . 1 . . . . . 227 GLU H . 52034 1 636 . 1 . 1 226 226 GLU C C 13 178.025 0.3 . 1 . . . . . 227 GLU C . 52034 1 637 . 1 . 1 226 226 GLU CA C 13 56.692 0.3 . 1 . . . . . 227 GLU CA . 52034 1 638 . 1 . 1 226 226 GLU N N 15 119.495 0.3 . 1 . . . . . 227 GLU N . 52034 1 639 . 1 . 1 227 227 ALA H H 1 8.917 0.02 . 1 . . . . . 228 ALA H . 52034 1 640 . 1 . 1 227 227 ALA C C 13 178.407 0.3 . 1 . . . . . 228 ALA C . 52034 1 641 . 1 . 1 227 227 ALA CA C 13 55.53 0.3 . 1 . . . . . 228 ALA CA . 52034 1 642 . 1 . 1 227 227 ALA N N 15 119.589 0.3 . 1 . . . . . 228 ALA N . 52034 1 643 . 1 . 1 228 228 ASP H H 1 8.934 0.02 . 1 . . . . . 229 ASP H . 52034 1 644 . 1 . 1 228 228 ASP C C 13 178.471 0.3 . 1 . . . . . 229 ASP C . 52034 1 645 . 1 . 1 228 228 ASP CA C 13 55.917 0.3 . 1 . . . . . 229 ASP CA . 52034 1 646 . 1 . 1 228 228 ASP N N 15 113.915 0.3 . 1 . . . . . 229 ASP N . 52034 1 647 . 1 . 1 229 229 ARG H H 1 7.663 0.02 . 1 . . . . . 230 ARG H . 52034 1 648 . 1 . 1 229 229 ARG C C 13 178.942 0.3 . 1 . . . . . 230 ARG C . 52034 1 649 . 1 . 1 229 229 ARG CA C 13 58.511 0.3 . 1 . . . . . 230 ARG CA . 52034 1 650 . 1 . 1 229 229 ARG N N 15 124.61 0.3 . 1 . . . . . 230 ARG N . 52034 1 651 . 1 . 1 230 230 MET H H 1 8.286 0.02 . 1 . . . . . 231 MET H . 52034 1 652 . 1 . 1 230 230 MET C C 13 178.025 0.3 . 1 . . . . . 231 MET C . 52034 1 653 . 1 . 1 230 230 MET CA C 13 60.596 0.3 . 1 . . . . . 231 MET CA . 52034 1 654 . 1 . 1 230 230 MET N N 15 115.293 0.3 . 1 . . . . . 231 MET N . 52034 1 655 . 1 . 1 231 231 LEU H H 1 7.947 0.02 . 1 . . . . . 232 LEU H . 52034 1 656 . 1 . 1 231 231 LEU C C 13 181.963 0.3 . 1 . . . . . 232 LEU C . 52034 1 657 . 1 . 1 231 231 LEU CA C 13 57.966 0.3 . 1 . . . . . 232 LEU CA . 52034 1 658 . 1 . 1 231 231 LEU N N 15 119.988 0.3 . 1 . . . . . 232 LEU N . 52034 1 659 . 1 . 1 232 232 ASP H H 1 8.464 0.02 . 1 . . . . . 233 ASP H . 52034 1 660 . 1 . 1 232 232 ASP C C 13 178.101 0.3 . 1 . . . . . 233 ASP C . 52034 1 661 . 1 . 1 232 232 ASP CA C 13 57.191 0.3 . 1 . . . . . 233 ASP CA . 52034 1 662 . 1 . 1 232 232 ASP N N 15 124.543 0.3 . 1 . . . . . 233 ASP N . 52034 1 663 . 1 . 1 233 233 MET H H 1 7.72 0.02 . 1 . . . . . 234 MET H . 52034 1 664 . 1 . 1 233 233 MET C C 13 175.821 0.3 . 1 . . . . . 234 MET C . 52034 1 665 . 1 . 1 233 233 MET CA C 13 56.305 0.3 . 1 . . . . . 234 MET CA . 52034 1 666 . 1 . 1 233 233 MET N N 15 115.841 0.3 . 1 . . . . . 234 MET N . 52034 1 667 . 1 . 1 234 234 GLY H H 1 7.618 0.02 . 1 . . . . . 235 GLY H . 52034 1 668 . 1 . 1 234 234 GLY C C 13 176.484 0.3 . 1 . . . . . 235 GLY C . 52034 1 669 . 1 . 1 234 234 GLY CA C 13 45.342 0.3 . 1 . . . . . 235 GLY CA . 52034 1 670 . 1 . 1 234 234 GLY N N 15 105.744 0.3 . 1 . . . . . 235 GLY N . 52034 1 671 . 1 . 1 235 235 PHE H H 1 7.701 0.02 . 1 . . . . . 236 PHE H . 52034 1 672 . 1 . 1 235 235 PHE C C 13 177.898 0.3 . 1 . . . . . 236 PHE C . 52034 1 673 . 1 . 1 235 235 PHE CA C 13 56.527 0.3 . 1 . . . . . 236 PHE CA . 52034 1 674 . 1 . 1 235 235 PHE N N 15 114.114 0.3 . 1 . . . . . 236 PHE N . 52034 1 675 . 1 . 1 236 236 GLU H H 1 9.43 0.02 . 1 . . . . . 237 GLU H . 52034 1 676 . 1 . 1 236 236 GLU C C 13 173.706 0.3 . 1 . . . . . 237 GLU C . 52034 1 677 . 1 . 1 236 236 GLU CA C 13 62.405 0.3 . 1 . . . . . 237 GLU CA . 52034 1 678 . 1 . 1 236 236 GLU N N 15 123.414 0.3 . 1 . . . . . 237 GLU N . 52034 1 679 . 1 . 1 238 238 GLN H H 1 7.58 0.02 . 1 . . . . . 239 GLN H . 52034 1 680 . 1 . 1 238 238 GLN C C 13 178.127 0.3 . 1 . . . . . 239 GLN C . 52034 1 681 . 1 . 1 238 238 GLN CA C 13 59.82 0.3 . 1 . . . . . 239 GLN CA . 52034 1 682 . 1 . 1 238 238 GLN N N 15 117.502 0.3 . 1 . . . . . 239 GLN N . 52034 1 683 . 1 . 1 239 239 ILE H H 1 8.572 0.02 . 1 . . . . . 240 ILE H . 52034 1 684 . 1 . 1 239 239 ILE C C 13 177.733 0.3 . 1 . . . . . 240 ILE C . 52034 1 685 . 1 . 1 239 239 ILE CA C 13 65.772 0.3 . 1 . . . . . 240 ILE CA . 52034 1 686 . 1 . 1 239 239 ILE N N 15 118.1 0.3 . 1 . . . . . 240 ILE N . 52034 1 687 . 1 . 1 240 240 ARG H H 1 8.832 0.02 . 1 . . . . . 241 ARG H . 52034 1 688 . 1 . 1 240 240 ARG C C 13 177.719 0.3 . 1 . . . . . 241 ARG C . 52034 1 689 . 1 . 1 240 240 ARG CA C 13 61.082 0.3 . 1 . . . . . 241 ARG CA . 52034 1 690 . 1 . 1 240 240 ARG N N 15 118.233 0.3 . 1 . . . . . 241 ARG N . 52034 1 691 . 1 . 1 241 241 HIS H H 1 7.968 0.02 . 1 . . . . . 242 HIS H . 52034 1 692 . 1 . 1 241 241 HIS C C 13 177.464 0.3 . 1 . . . . . 242 HIS C . 52034 1 693 . 1 . 1 241 241 HIS CA C 13 59.322 0.3 . 1 . . . . . 242 HIS CA . 52034 1 694 . 1 . 1 241 241 HIS N N 15 119.229 0.3 . 1 . . . . . 242 HIS N . 52034 1 695 . 1 . 1 242 242 ILE H H 1 8.05 0.02 . 1 . . . . . 243 ILE H . 52034 1 696 . 1 . 1 242 242 ILE C C 13 176.585 0.3 . 1 . . . . . 243 ILE C . 52034 1 697 . 1 . 1 242 242 ILE CA C 13 64.637 0.3 . 1 . . . . . 243 ILE CA . 52034 1 698 . 1 . 1 242 242 ILE N N 15 118.233 0.3 . 1 . . . . . 243 ILE N . 52034 1 699 . 1 . 1 244 244 GLU H H 1 8.82 0.02 . 1 . . . . . 245 GLU H . 52034 1 700 . 1 . 1 244 244 GLU C C 13 178.815 0.3 . 1 . . . . . 245 GLU C . 52034 1 701 . 1 . 1 244 244 GLU CA C 13 57.661 0.3 . 1 . . . . . 245 GLU CA . 52034 1 702 . 1 . 1 244 244 GLU N N 15 117.369 0.3 . 1 . . . . . 245 GLU N . 52034 1 703 . 1 . 1 245 245 ASP H H 1 7.396 0.02 . 1 . . . . . 246 ASP H . 52034 1 704 . 1 . 1 245 245 ASP C C 13 176.509 0.3 . 1 . . . . . 246 ASP C . 52034 1 705 . 1 . 1 245 245 ASP CA C 13 54.754 0.3 . 1 . . . . . 246 ASP CA . 52034 1 706 . 1 . 1 245 245 ASP N N 15 116.638 0.3 . 1 . . . . . 246 ASP N . 52034 1 707 . 1 . 1 246 246 CYS H H 1 7.809 0.02 . 1 . . . . . 247 CYS H . 52034 1 708 . 1 . 1 246 246 CYS C C 13 173.694 0.3 . 1 . . . . . 247 CYS C . 52034 1 709 . 1 . 1 246 246 CYS CA C 13 58.243 0.3 . 1 . . . . . 247 CYS CA . 52034 1 710 . 1 . 1 246 246 CYS N N 15 121.953 0.3 . 1 . . . . . 247 CYS N . 52034 1 711 . 1 . 1 247 247 ASP H H 1 7.548 0.02 . 1 . . . . . 248 ASP H . 52034 1 712 . 1 . 1 247 247 ASP C C 13 175.821 0.3 . 1 . . . . . 248 ASP C . 52034 1 713 . 1 . 1 247 247 ASP CA C 13 51.82 0.3 . 1 . . . . . 248 ASP CA . 52034 1 714 . 1 . 1 247 247 ASP N N 15 119.428 0.3 . 1 . . . . . 248 ASP N . 52034 1 715 . 1 . 1 248 248 MET H H 1 8.19 0.02 . 1 . . . . . 249 MET H . 52034 1 716 . 1 . 1 248 248 MET C C 13 176.331 0.3 . 1 . . . . . 249 MET C . 52034 1 717 . 1 . 1 248 248 MET CA C 13 55.668 0.3 . 1 . . . . . 249 MET CA . 52034 1 718 . 1 . 1 248 248 MET N N 15 119.628 0.3 . 1 . . . . . 249 MET N . 52034 1 719 . 1 . 1 249 249 THR H H 1 7.224 0.02 . 1 . . . . . 250 THR H . 52034 1 720 . 1 . 1 249 249 THR C C 13 172.05 0.3 . 1 . . . . . 250 THR C . 52034 1 721 . 1 . 1 249 249 THR CA C 13 59.98 0.3 . 1 . . . . . 250 THR CA . 52034 1 722 . 1 . 1 249 249 THR N N 15 123.813 0.3 . 1 . . . . . 250 THR N . 52034 1 723 . 1 . 1 251 251 VAL H H 1 7.758 0.02 . 1 . . . . . 252 VAL H . 52034 1 724 . 1 . 1 251 251 VAL C C 13 177.91 0.3 . 1 . . . . . 252 VAL C . 52034 1 725 . 1 . 1 251 251 VAL CA C 13 65.579 0.3 . 1 . . . . . 252 VAL CA . 52034 1 726 . 1 . 1 251 251 VAL N N 15 110.925 0.3 . 1 . . . . . 252 VAL N . 52034 1 727 . 1 . 1 252 252 GLY H H 1 7.735 0.02 . 1 . . . . . 253 GLY H . 52034 1 728 . 1 . 1 252 252 GLY C C 13 175.974 0.3 . 1 . . . . . 253 GLY C . 52034 1 729 . 1 . 1 252 252 GLY CA C 13 46.92 0.3 . 1 . . . . . 253 GLY CA . 52034 1 730 . 1 . 1 252 252 GLY N N 15 105.258 0.3 . 1 . . . . . 253 GLY N . 52034 1 731 . 1 . 1 253 253 GLU H H 1 7.014 0.02 . 1 . . . . . 254 GLU H . 52034 1 732 . 1 . 1 253 253 GLU C C 13 178.293 0.3 . 1 . . . . . 254 GLU C . 52034 1 733 . 1 . 1 253 253 GLU CA C 13 55.131 0.3 . 1 . . . . . 254 GLU CA . 52034 1 734 . 1 . 1 253 253 GLU N N 15 121.687 0.3 . 1 . . . . . 254 GLU N . 52034 1 735 . 1 . 1 255 255 GLN H H 1 8.324 0.02 . 1 . . . . . 256 GLN H . 52034 1 736 . 1 . 1 255 255 GLN C C 13 174.968 0.3 . 1 . . . . . 256 GLN C . 52034 1 737 . 1 . 1 255 255 GLN CA C 13 54.69 0.3 . 1 . . . . . 256 GLN CA . 52034 1 738 . 1 . 1 255 255 GLN N N 15 123.946 0.3 . 1 . . . . . 256 GLN N . 52034 1 739 . 1 . 1 256 256 THR H H 1 9.017 0.02 . 1 . . . . . 257 THR H . 52034 1 740 . 1 . 1 256 256 THR C C 13 172.28 0.3 . 1 . . . . . 257 THR C . 52034 1 741 . 1 . 1 256 256 THR CA C 13 61.303 0.3 . 1 . . . . . 257 THR CA . 52034 1 742 . 1 . 1 256 256 THR N N 15 123.148 0.3 . 1 . . . . . 257 THR N . 52034 1 743 . 1 . 1 257 257 LEU H H 1 9.137 0.02 . 1 . . . . . 258 LEU H . 52034 1 744 . 1 . 1 257 257 LEU C C 13 174.853 0.3 . 1 . . . . . 258 LEU C . 52034 1 745 . 1 . 1 257 257 LEU CA C 13 53.294 0.3 . 1 . . . . . 258 LEU CA . 52034 1 746 . 1 . 1 257 257 LEU N N 15 125.274 0.3 . 1 . . . . . 258 LEU N . 52034 1 747 . 1 . 1 258 258 MET H H 1 8.953 0.02 . 1 . . . . . 259 MET H . 52034 1 748 . 1 . 1 258 258 MET C C 13 171.999 0.3 . 1 . . . . . 259 MET C . 52034 1 749 . 1 . 1 258 258 MET CA C 13 54.47 0.3 . 1 . . . . . 259 MET CA . 52034 1 750 . 1 . 1 258 258 MET N N 15 122.551 0.3 . 1 . . . . . 259 MET N . 52034 1 751 . 1 . 1 259 259 PHE H H 1 8.807 0.02 . 1 . . . . . 260 PHE H . 52034 1 752 . 1 . 1 259 259 PHE C C 13 174.789 0.3 . 1 . . . . . 260 PHE C . 52034 1 753 . 1 . 1 259 259 PHE CA C 13 55.572 0.3 . 1 . . . . . 260 PHE CA . 52034 1 754 . 1 . 1 259 259 PHE N N 15 124.543 0.3 . 1 . . . . . 260 PHE N . 52034 1 755 . 1 . 1 260 260 SER H H 1 8.597 0.02 . 1 . . . . . 261 SER H . 52034 1 756 . 1 . 1 260 260 SER C C 13 173.337 0.3 . 1 . . . . . 261 SER C . 52034 1 757 . 1 . 1 260 260 SER CA C 13 56.858 0.3 . 1 . . . . . 261 SER CA . 52034 1 758 . 1 . 1 260 260 SER N N 15 115.575 0.3 . 1 . . . . . 261 SER N . 52034 1 759 . 1 . 1 261 261 ALA H H 1 8.635 0.02 . 1 . . . . . 262 ALA H . 52034 1 760 . 1 . 1 261 261 ALA C C 13 177.914 0.3 . 1 . . . . . 262 ALA C . 52034 1 761 . 1 . 1 261 261 ALA CA C 13 53.956 0.3 . 1 . . . . . 262 ALA CA . 52034 1 762 . 1 . 1 261 261 ALA N N 15 128.396 0.3 . 1 . . . . . 262 ALA N . 52034 1 763 . 1 . 1 262 262 THR H H 1 7.548 0.02 . 1 . . . . . 263 THR H . 52034 1 764 . 1 . 1 262 262 THR C C 13 173.503 0.3 . 1 . . . . . 263 THR C . 52034 1 765 . 1 . 1 262 262 THR CA C 13 59.627 0.3 . 1 . . . . . 263 THR CA . 52034 1 766 . 1 . 1 262 262 THR N N 15 106.275 0.3 . 1 . . . . . 263 THR N . 52034 1 767 . 1 . 1 268 268 GLN H H 1 7.509 0.02 . 1 . . . . . 269 GLN H . 52034 1 768 . 1 . 1 268 268 GLN C C 13 179.732 0.3 . 1 . . . . . 269 GLN C . 52034 1 769 . 1 . 1 268 268 GLN CA C 13 58.796 0.3 . 1 . . . . . 269 GLN CA . 52034 1 770 . 1 . 1 268 268 GLN N N 15 121.786 0.3 . 1 . . . . . 269 GLN N . 52034 1 771 . 1 . 1 269 269 HIS H H 1 8.025 0.02 . 1 . . . . . 270 HIS H . 52034 1 772 . 1 . 1 269 269 HIS C C 13 176.496 0.3 . 1 . . . . . 270 HIS C . 52034 1 773 . 1 . 1 269 269 HIS CA C 13 57.024 0.3 . 1 . . . . . 270 HIS CA . 52034 1 774 . 1 . 1 269 269 HIS N N 15 118.498 0.3 . 1 . . . . . 270 HIS N . 52034 1 775 . 1 . 1 270 270 LEU H H 1 7.04 0.02 . 1 . . . . . 271 LEU H . 52034 1 776 . 1 . 1 270 270 LEU C C 13 178.445 0.3 . 1 . . . . . 271 LEU C . 52034 1 777 . 1 . 1 270 270 LEU CA C 13 57.246 0.3 . 1 . . . . . 271 LEU CA . 52034 1 778 . 1 . 1 270 270 LEU N N 15 121.288 0.3 . 1 . . . . . 271 LEU N . 52034 1 779 . 1 . 1 271 271 ALA H H 1 8.474 0.02 . 1 . . . . . 272 ALA H . 52034 1 780 . 1 . 1 271 271 ALA C C 13 178.433 0.3 . 1 . . . . . 272 ALA C . 52034 1 781 . 1 . 1 271 271 ALA CA C 13 54.367 0.3 . 1 . . . . . 272 ALA CA . 52034 1 782 . 1 . 1 271 271 ALA N N 15 120.611 0.3 . 1 . . . . . 272 ALA N . 52034 1 783 . 1 . 1 272 272 ARG H H 1 7.555 0.02 . 1 . . . . . 273 ARG H . 52034 1 784 . 1 . 1 272 272 ARG C C 13 177.426 0.3 . 1 . . . . . 273 ARG C . 52034 1 785 . 1 . 1 272 272 ARG CA C 13 58.07 0.3 . 1 . . . . . 273 ARG CA . 52034 1 786 . 1 . 1 272 272 ARG N N 15 116.572 0.3 . 1 . . . . . 273 ARG N . 52034 1 787 . 1 . 1 273 273 ASP H H 1 7.129 0.02 . 1 . . . . . 274 ASP H . 52034 1 788 . 1 . 1 273 273 ASP C C 13 178.522 0.3 . 1 . . . . . 274 ASP C . 52034 1 789 . 1 . 1 273 273 ASP CA C 13 55.474 0.3 . 1 . . . . . 274 ASP CA . 52034 1 790 . 1 . 1 273 273 ASP N N 15 115.642 0.3 . 1 . . . . . 274 ASP N . 52034 1 791 . 1 . 1 274 274 PHE H H 1 8.603 0.02 . 1 . . . . . 275 PHE H . 52034 1 792 . 1 . 1 274 274 PHE C C 13 173.999 0.3 . 1 . . . . . 275 PHE C . 52034 1 793 . 1 . 1 274 274 PHE CA C 13 55.557 0.3 . 1 . . . . . 275 PHE CA . 52034 1 794 . 1 . 1 274 274 PHE N N 15 118.963 0.3 . 1 . . . . . 275 PHE N . 52034 1 795 . 1 . 1 275 275 LEU H H 1 7.548 0.02 . 1 . . . . . 276 LEU H . 52034 1 796 . 1 . 1 275 275 LEU C C 13 176.84 0.3 . 1 . . . . . 276 LEU C . 52034 1 797 . 1 . 1 275 275 LEU CA C 13 52.761 0.3 . 1 . . . . . 276 LEU CA . 52034 1 798 . 1 . 1 275 275 LEU N N 15 116.132 0.3 . 1 . . . . . 276 LEU N . 52034 1 799 . 1 . 1 276 276 SER H H 1 10.173 0.02 . 1 . . . . . 277 SER H . 52034 1 800 . 1 . 1 276 276 SER C C 13 174.152 0.3 . 1 . . . . . 277 SER C . 52034 1 801 . 1 . 1 276 276 SER CA C 13 55.668 0.3 . 1 . . . . . 277 SER CA . 52034 1 802 . 1 . 1 276 276 SER N N 15 117.037 0.3 . 1 . . . . . 277 SER N . 52034 1 803 . 1 . 1 277 277 ASP H H 1 8.826 0.02 . 1 . . . . . 278 ASP H . 52034 1 804 . 1 . 1 277 277 ASP C C 13 176.369 0.3 . 1 . . . . . 278 ASP C . 52034 1 805 . 1 . 1 277 277 ASP CA C 13 53.952 0.3 . 1 . . . . . 278 ASP CA . 52034 1 806 . 1 . 1 277 277 ASP N N 15 128.466 0.3 . 1 . . . . . 278 ASP N . 52034 1 807 . 1 . 1 278 278 TYR H H 1 7.072 0.02 . 1 . . . . . 279 TYR H . 52034 1 808 . 1 . 1 278 278 TYR C C 13 176.624 0.3 . 1 . . . . . 279 TYR C . 52034 1 809 . 1 . 1 278 278 TYR CA C 13 56.72 0.3 . 1 . . . . . 279 TYR CA . 52034 1 810 . 1 . 1 278 278 TYR N N 15 114.18 0.3 . 1 . . . . . 279 TYR N . 52034 1 811 . 1 . 1 280 280 PHE H H 1 8.928 0.02 . 1 . . . . . 281 PHE H . 52034 1 812 . 1 . 1 280 280 PHE C C 13 173.493 0.3 . 1 . . . . . 281 PHE C . 52034 1 813 . 1 . 1 280 280 PHE CA C 13 55.205 0.3 . 1 . . . . . 281 PHE CA . 52034 1 814 . 1 . 1 280 280 PHE N N 15 130.456 0.3 . 1 . . . . . 281 PHE N . 52034 1 815 . 1 . 1 281 281 LEU H H 1 8.493 0.02 . 1 . . . . . 282 LEU H . 52034 1 816 . 1 . 1 281 281 LEU C C 13 173.315 0.3 . 1 . . . . . 282 LEU C . 52034 1 817 . 1 . 1 281 281 LEU CA C 13 51.792 0.3 . 1 . . . . . 282 LEU CA . 52034 1 818 . 1 . 1 281 281 LEU N N 15 128.9 0.3 . 1 . . . . . 282 LEU N . 52034 1 819 . 1 . 1 282 282 SER H H 1 8.559 0.02 . 1 . . . . . 283 SER H . 52034 1 820 . 1 . 1 282 282 SER C C 13 173.948 0.3 . 1 . . . . . 283 SER C . 52034 1 821 . 1 . 1 282 282 SER CA C 13 55.696 0.3 . 1 . . . . . 283 SER CA . 52034 1 822 . 1 . 1 282 282 SER N N 15 118.166 0.3 . 1 . . . . . 283 SER N . 52034 1 823 . 1 . 1 283 283 VAL H H 1 8.178 0.02 . 1 . . . . . 284 VAL H . 52034 1 824 . 1 . 1 283 283 VAL C C 13 176.394 0.3 . 1 . . . . . 284 VAL C . 52034 1 825 . 1 . 1 283 283 VAL CA C 13 61.229 0.3 . 1 . . . . . 284 VAL CA . 52034 1 826 . 1 . 1 283 283 VAL N N 15 126.669 0.3 . 1 . . . . . 284 VAL N . 52034 1 827 . 1 . 1 284 284 GLY H H 1 8.794 0.02 . 1 . . . . . 285 GLY H . 52034 1 828 . 1 . 1 284 284 GLY C C 13 172.662 0.3 . 1 . . . . . 285 GLY C . 52034 1 829 . 1 . 1 284 284 GLY CA C 13 44.567 0.3 . 1 . . . . . 285 GLY CA . 52034 1 830 . 1 . 1 284 284 GLY N N 15 116.04 0.3 . 1 . . . . . 285 GLY N . 52034 1 831 . 1 . 1 285 285 ARG H H 1 8.228 0.02 . 1 . . . . . 286 ARG H . 52034 1 832 . 1 . 1 285 285 ARG C C 13 176.127 0.3 . 1 . . . . . 286 ARG C . 52034 1 833 . 1 . 1 285 285 ARG CA C 13 55.28 0.3 . 1 . . . . . 286 ARG CA . 52034 1 834 . 1 . 1 285 285 ARG N N 15 120.026 0.3 . 1 . . . . . 286 ARG N . 52034 1 835 . 1 . 1 286 286 VAL H H 1 8.209 0.02 . 1 . . . . . 287 VAL H . 52034 1 836 . 1 . 1 286 286 VAL C C 13 176.726 0.3 . 1 . . . . . 287 VAL C . 52034 1 837 . 1 . 1 286 286 VAL CA C 13 62.185 0.3 . 1 . . . . . 287 VAL CA . 52034 1 838 . 1 . 1 286 286 VAL N N 15 123.016 0.3 . 1 . . . . . 287 VAL N . 52034 1 839 . 1 . 1 287 287 GLY H H 1 8.457 0.02 . 1 . . . . . 288 GLY H . 52034 1 840 . 1 . 1 287 287 GLY C C 13 173.248 0.3 . 1 . . . . . 288 GLY C . 52034 1 841 . 1 . 1 287 287 GLY CA C 13 44.788 0.3 . 1 . . . . . 288 GLY CA . 52034 1 842 . 1 . 1 287 287 GLY N N 15 114.114 0.3 . 1 . . . . . 288 GLY N . 52034 1 stop_ save_