data_27403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27403 _Entry.Title ; 1H, 15N, 13C backbone resonance assignments of the nuclease core residues 2-336 of P188A human flap endonuclease-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-15 _Entry.Accession_date 2018-02-15 _Entry.Last_release_date 2018-02-15 _Entry.Original_release_date 2018-02-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Ian Bennet . A. . . 27403 2 Nicola Baxter . J. . . 27403 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 780 27403 '15N chemical shifts' 250 27403 '1H chemical shifts' 250 27403 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 . . 2018-03-02 . original BMRB . 27403 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27160 '1H, 15N, 13C backbone resonance assignments of the nuclease core residues 2-336 of wild-type human flap endonuclease-1' 27403 BMRB 27404 ; 1H, 15N, 13C backbone resonance assignments of the nuclease core residues 2-336 of K93A human flap endonuclease-1 in complex with dual-hairpin DNA substrate ; 27403 PDB 3Q8K "Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with product 5'-flap DNA, SM3+, and K+" 27403 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27403 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Evidence of dynamics and disorder using NMR-spectroscopic techniques applied to human Flap-Endonuclease-1 ; _Citation.Status 'in preparation' _Citation.Type thesis _Citation.Journal_abbrev 'Not known' _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 'University of Sheffield' _Citation.Thesis_institution_city Sheffield _Citation.Thesis_institution_country UK _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 Ian Bennet . A. . . 27403 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Catalysis 27403 1 'DNA replication / repair' 27403 1 'Flap endonuclease 1' 27403 1 'NMR spectroscopy' 27403 1 'Protein dynamics' 27403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27403 _Assembly.ID 1 _Assembly.Name hFEN1-336-P188A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 38431.14 _Assembly.Enzyme_commission_number 'EC 3.1.-.-' _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 hFEN1-336-P188A 1 $hFEN1-P188A A . yes native no no . enzyme . 27403 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 27160 . . 'solution NMR' . 'backbone amide chemical shifts of the wild-type hFEN1-336 construct' 'Backbone chemical shifts of wild-type are similar to the P188A mutant.' 27403 1 yes PDB 3Q8K . . X-ray 2.2 'contains the same hFEN1-336 construct' 'This structure is a DNA-product bound complex with hFEN1-336' 27403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hFEN1-P188A _Entity.Sf_category entity _Entity.Sf_framecode hFEN1-P188A _Entity.Entry_ID 27403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hFEN1-P188A _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 ; GIQGLAKLIADVAPSAIREN DIKSYFGRKVAIDASMSIYQ FLIAVRQGGDVLQNEEGETT SHLMGMFYRTIRMMENGIKP VYVFDGKPPQLKSGELAKRS ERRAEAEKQLQQAQAAGAEQ EVEKFTKRLVKVTKQHNDEC KHLLSLMGIPYLDAPSEAEA SCAALVKAGKVYAAATEDMD CLTFGSAVLMRHLTASEAKK LPIQEFHLSRILQELGLNQE QFVDLCILLGSDYCESIRGI GPKRAVDLIQKHKSIEEIVR RLDPNKYPVPENWLHKEAHQ LFLEPEVLDPESVELKWSEP NEEELIKFMCGEKQFSEERI RSGVKRLSKSRQGSTLEVLF Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G2-I3-Q4-....-Q342 _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 341 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation P188A _Entity.EC_number 3.1.-.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 38431.14 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The final 6 residues at the C-terminus (LEVLFQ) represent the cleavage recognition site for the human rhinovirus type 14 3C protease. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Flap endonuclease hydrolyses the phosphodiester of a 5' DNA sequence from a structure called a DNA flap. The DNA flap structure occurs in double-stranded DNA containing a single-stranded break where the 5' portion of the downstream strand is too long and overlaps the 3' end of the upstream strand. Flap endonucleases cleave the downstream strand of the overlap flap structure precisely after the first base-paired nucleotide, creating a ligatable nick. ; 27403 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 GLY . 27403 1 2 3 ILE . 27403 1 3 4 GLN . 27403 1 4 5 GLY . 27403 1 5 6 LEU . 27403 1 6 7 ALA . 27403 1 7 8 LYS . 27403 1 8 9 LEU . 27403 1 9 10 ILE . 27403 1 10 11 ALA . 27403 1 11 12 ASP . 27403 1 12 13 VAL . 27403 1 13 14 ALA . 27403 1 14 15 PRO . 27403 1 15 16 SER . 27403 1 16 17 ALA . 27403 1 17 18 ILE . 27403 1 18 19 ARG . 27403 1 19 20 GLU . 27403 1 20 21 ASN . 27403 1 21 22 ASP . 27403 1 22 23 ILE . 27403 1 23 24 LYS . 27403 1 24 25 SER . 27403 1 25 26 TYR . 27403 1 26 27 PHE . 27403 1 27 28 GLY . 27403 1 28 29 ARG . 27403 1 29 30 LYS . 27403 1 30 31 VAL . 27403 1 31 32 ALA . 27403 1 32 33 ILE . 27403 1 33 34 ASP . 27403 1 34 35 ALA . 27403 1 35 36 SER . 27403 1 36 37 MET . 27403 1 37 38 SER . 27403 1 38 39 ILE . 27403 1 39 40 TYR . 27403 1 40 41 GLN . 27403 1 41 42 PHE . 27403 1 42 43 LEU . 27403 1 43 44 ILE . 27403 1 44 45 ALA . 27403 1 45 46 VAL . 27403 1 46 47 ARG . 27403 1 47 48 GLN . 27403 1 48 49 GLY . 27403 1 49 50 GLY . 27403 1 50 51 ASP . 27403 1 51 52 VAL . 27403 1 52 53 LEU . 27403 1 53 54 GLN . 27403 1 54 55 ASN . 27403 1 55 56 GLU . 27403 1 56 57 GLU . 27403 1 57 58 GLY . 27403 1 58 59 GLU . 27403 1 59 60 THR . 27403 1 60 61 THR . 27403 1 61 62 SER . 27403 1 62 63 HIS . 27403 1 63 64 LEU . 27403 1 64 65 MET . 27403 1 65 66 GLY . 27403 1 66 67 MET . 27403 1 67 68 PHE . 27403 1 68 69 TYR . 27403 1 69 70 ARG . 27403 1 70 71 THR . 27403 1 71 72 ILE . 27403 1 72 73 ARG . 27403 1 73 74 MET . 27403 1 74 75 MET . 27403 1 75 76 GLU . 27403 1 76 77 ASN . 27403 1 77 78 GLY . 27403 1 78 79 ILE . 27403 1 79 80 LYS . 27403 1 80 81 PRO . 27403 1 81 82 VAL . 27403 1 82 83 TYR . 27403 1 83 84 VAL . 27403 1 84 85 PHE . 27403 1 85 86 ASP . 27403 1 86 87 GLY . 27403 1 87 88 LYS . 27403 1 88 89 PRO . 27403 1 89 90 PRO . 27403 1 90 91 GLN . 27403 1 91 92 LEU . 27403 1 92 93 LYS . 27403 1 93 94 SER . 27403 1 94 95 GLY . 27403 1 95 96 GLU . 27403 1 96 97 LEU . 27403 1 97 98 ALA . 27403 1 98 99 LYS . 27403 1 99 100 ARG . 27403 1 100 101 SER . 27403 1 101 102 GLU . 27403 1 102 103 ARG . 27403 1 103 104 ARG . 27403 1 104 105 ALA . 27403 1 105 106 GLU . 27403 1 106 107 ALA . 27403 1 107 108 GLU . 27403 1 108 109 LYS . 27403 1 109 110 GLN . 27403 1 110 111 LEU . 27403 1 111 112 GLN . 27403 1 112 113 GLN . 27403 1 113 114 ALA . 27403 1 114 115 GLN . 27403 1 115 116 ALA . 27403 1 116 117 ALA . 27403 1 117 118 GLY . 27403 1 118 119 ALA . 27403 1 119 120 GLU . 27403 1 120 121 GLN . 27403 1 121 122 GLU . 27403 1 122 123 VAL . 27403 1 123 124 GLU . 27403 1 124 125 LYS . 27403 1 125 126 PHE . 27403 1 126 127 THR . 27403 1 127 128 LYS . 27403 1 128 129 ARG . 27403 1 129 130 LEU . 27403 1 130 131 VAL . 27403 1 131 132 LYS . 27403 1 132 133 VAL . 27403 1 133 134 THR . 27403 1 134 135 LYS . 27403 1 135 136 GLN . 27403 1 136 137 HIS . 27403 1 137 138 ASN . 27403 1 138 139 ASP . 27403 1 139 140 GLU . 27403 1 140 141 CYS . 27403 1 141 142 LYS . 27403 1 142 143 HIS . 27403 1 143 144 LEU . 27403 1 144 145 LEU . 27403 1 145 146 SER . 27403 1 146 147 LEU . 27403 1 147 148 MET . 27403 1 148 149 GLY . 27403 1 149 150 ILE . 27403 1 150 151 PRO . 27403 1 151 152 TYR . 27403 1 152 153 LEU . 27403 1 153 154 ASP . 27403 1 154 155 ALA . 27403 1 155 156 PRO . 27403 1 156 157 SER . 27403 1 157 158 GLU . 27403 1 158 159 ALA . 27403 1 159 160 GLU . 27403 1 160 161 ALA . 27403 1 161 162 SER . 27403 1 162 163 CYS . 27403 1 163 164 ALA . 27403 1 164 165 ALA . 27403 1 165 166 LEU . 27403 1 166 167 VAL . 27403 1 167 168 LYS . 27403 1 168 169 ALA . 27403 1 169 170 GLY . 27403 1 170 171 LYS . 27403 1 171 172 VAL . 27403 1 172 173 TYR . 27403 1 173 174 ALA . 27403 1 174 175 ALA . 27403 1 175 176 ALA . 27403 1 176 177 THR . 27403 1 177 178 GLU . 27403 1 178 179 ASP . 27403 1 179 180 MET . 27403 1 180 181 ASP . 27403 1 181 182 CYS . 27403 1 182 183 LEU . 27403 1 183 184 THR . 27403 1 184 185 PHE . 27403 1 185 186 GLY . 27403 1 186 187 SER . 27403 1 187 188 ALA . 27403 1 188 189 VAL . 27403 1 189 190 LEU . 27403 1 190 191 MET . 27403 1 191 192 ARG . 27403 1 192 193 HIS . 27403 1 193 194 LEU . 27403 1 194 195 THR . 27403 1 195 196 ALA . 27403 1 196 197 SER . 27403 1 197 198 GLU . 27403 1 198 199 ALA . 27403 1 199 200 LYS . 27403 1 200 201 LYS . 27403 1 201 202 LEU . 27403 1 202 203 PRO . 27403 1 203 204 ILE . 27403 1 204 205 GLN . 27403 1 205 206 GLU . 27403 1 206 207 PHE . 27403 1 207 208 HIS . 27403 1 208 209 LEU . 27403 1 209 210 SER . 27403 1 210 211 ARG . 27403 1 211 212 ILE . 27403 1 212 213 LEU . 27403 1 213 214 GLN . 27403 1 214 215 GLU . 27403 1 215 216 LEU . 27403 1 216 217 GLY . 27403 1 217 218 LEU . 27403 1 218 219 ASN . 27403 1 219 220 GLN . 27403 1 220 221 GLU . 27403 1 221 222 GLN . 27403 1 222 223 PHE . 27403 1 223 224 VAL . 27403 1 224 225 ASP . 27403 1 225 226 LEU . 27403 1 226 227 CYS . 27403 1 227 228 ILE . 27403 1 228 229 LEU . 27403 1 229 230 LEU . 27403 1 230 231 GLY . 27403 1 231 232 SER . 27403 1 232 233 ASP . 27403 1 233 234 TYR . 27403 1 234 235 CYS . 27403 1 235 236 GLU . 27403 1 236 237 SER . 27403 1 237 238 ILE . 27403 1 238 239 ARG . 27403 1 239 240 GLY . 27403 1 240 241 ILE . 27403 1 241 242 GLY . 27403 1 242 243 PRO . 27403 1 243 244 LYS . 27403 1 244 245 ARG . 27403 1 245 246 ALA . 27403 1 246 247 VAL . 27403 1 247 248 ASP . 27403 1 248 249 LEU . 27403 1 249 250 ILE . 27403 1 250 251 GLN . 27403 1 251 252 LYS . 27403 1 252 253 HIS . 27403 1 253 254 LYS . 27403 1 254 255 SER . 27403 1 255 256 ILE . 27403 1 256 257 GLU . 27403 1 257 258 GLU . 27403 1 258 259 ILE . 27403 1 259 260 VAL . 27403 1 260 261 ARG . 27403 1 261 262 ARG . 27403 1 262 263 LEU . 27403 1 263 264 ASP . 27403 1 264 265 PRO . 27403 1 265 266 ASN . 27403 1 266 267 LYS . 27403 1 267 268 TYR . 27403 1 268 269 PRO . 27403 1 269 270 VAL . 27403 1 270 271 PRO . 27403 1 271 272 GLU . 27403 1 272 273 ASN . 27403 1 273 274 TRP . 27403 1 274 275 LEU . 27403 1 275 276 HIS . 27403 1 276 277 LYS . 27403 1 277 278 GLU . 27403 1 278 279 ALA . 27403 1 279 280 HIS . 27403 1 280 281 GLN . 27403 1 281 282 LEU . 27403 1 282 283 PHE . 27403 1 283 284 LEU . 27403 1 284 285 GLU . 27403 1 285 286 PRO . 27403 1 286 287 GLU . 27403 1 287 288 VAL . 27403 1 288 289 LEU . 27403 1 289 290 ASP . 27403 1 290 291 PRO . 27403 1 291 292 GLU . 27403 1 292 293 SER . 27403 1 293 294 VAL . 27403 1 294 295 GLU . 27403 1 295 296 LEU . 27403 1 296 297 LYS . 27403 1 297 298 TRP . 27403 1 298 299 SER . 27403 1 299 300 GLU . 27403 1 300 301 PRO . 27403 1 301 302 ASN . 27403 1 302 303 GLU . 27403 1 303 304 GLU . 27403 1 304 305 GLU . 27403 1 305 306 LEU . 27403 1 306 307 ILE . 27403 1 307 308 LYS . 27403 1 308 309 PHE . 27403 1 309 310 MET . 27403 1 310 311 CYS . 27403 1 311 312 GLY . 27403 1 312 313 GLU . 27403 1 313 314 LYS . 27403 1 314 315 GLN . 27403 1 315 316 PHE . 27403 1 316 317 SER . 27403 1 317 318 GLU . 27403 1 318 319 GLU . 27403 1 319 320 ARG . 27403 1 320 321 ILE . 27403 1 321 322 ARG . 27403 1 322 323 SER . 27403 1 323 324 GLY . 27403 1 324 325 VAL . 27403 1 325 326 LYS . 27403 1 326 327 ARG . 27403 1 327 328 LEU . 27403 1 328 329 SER . 27403 1 329 330 LYS . 27403 1 330 331 SER . 27403 1 331 332 ARG . 27403 1 332 333 GLN . 27403 1 333 334 GLY . 27403 1 334 335 SER . 27403 1 335 336 THR . 27403 1 336 337 LEU . 27403 1 337 338 GLU . 27403 1 338 339 VAL . 27403 1 339 340 LEU . 27403 1 340 341 PHE . 27403 1 341 342 GLN . 27403 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 27403 1 . ILE 2 2 27403 1 . GLN 3 3 27403 1 . GLY 4 4 27403 1 . LEU 5 5 27403 1 . ALA 6 6 27403 1 . LYS 7 7 27403 1 . LEU 8 8 27403 1 . ILE 9 9 27403 1 . ALA 10 10 27403 1 . ASP 11 11 27403 1 . VAL 12 12 27403 1 . ALA 13 13 27403 1 . PRO 14 14 27403 1 . SER 15 15 27403 1 . ALA 16 16 27403 1 . ILE 17 17 27403 1 . ARG 18 18 27403 1 . GLU 19 19 27403 1 . ASN 20 20 27403 1 . ASP 21 21 27403 1 . ILE 22 22 27403 1 . LYS 23 23 27403 1 . SER 24 24 27403 1 . TYR 25 25 27403 1 . PHE 26 26 27403 1 . GLY 27 27 27403 1 . ARG 28 28 27403 1 . LYS 29 29 27403 1 . VAL 30 30 27403 1 . ALA 31 31 27403 1 . ILE 32 32 27403 1 . ASP 33 33 27403 1 . ALA 34 34 27403 1 . SER 35 35 27403 1 . MET 36 36 27403 1 . SER 37 37 27403 1 . ILE 38 38 27403 1 . TYR 39 39 27403 1 . GLN 40 40 27403 1 . PHE 41 41 27403 1 . LEU 42 42 27403 1 . ILE 43 43 27403 1 . ALA 44 44 27403 1 . VAL 45 45 27403 1 . ARG 46 46 27403 1 . GLN 47 47 27403 1 . GLY 48 48 27403 1 . GLY 49 49 27403 1 . ASP 50 50 27403 1 . VAL 51 51 27403 1 . LEU 52 52 27403 1 . GLN 53 53 27403 1 . ASN 54 54 27403 1 . GLU 55 55 27403 1 . GLU 56 56 27403 1 . GLY 57 57 27403 1 . GLU 58 58 27403 1 . THR 59 59 27403 1 . THR 60 60 27403 1 . SER 61 61 27403 1 . HIS 62 62 27403 1 . LEU 63 63 27403 1 . MET 64 64 27403 1 . GLY 65 65 27403 1 . MET 66 66 27403 1 . PHE 67 67 27403 1 . TYR 68 68 27403 1 . ARG 69 69 27403 1 . THR 70 70 27403 1 . ILE 71 71 27403 1 . ARG 72 72 27403 1 . MET 73 73 27403 1 . MET 74 74 27403 1 . GLU 75 75 27403 1 . ASN 76 76 27403 1 . GLY 77 77 27403 1 . ILE 78 78 27403 1 . LYS 79 79 27403 1 . PRO 80 80 27403 1 . VAL 81 81 27403 1 . TYR 82 82 27403 1 . VAL 83 83 27403 1 . PHE 84 84 27403 1 . ASP 85 85 27403 1 . GLY 86 86 27403 1 . LYS 87 87 27403 1 . PRO 88 88 27403 1 . PRO 89 89 27403 1 . GLN 90 90 27403 1 . LEU 91 91 27403 1 . LYS 92 92 27403 1 . SER 93 93 27403 1 . GLY 94 94 27403 1 . GLU 95 95 27403 1 . LEU 96 96 27403 1 . ALA 97 97 27403 1 . LYS 98 98 27403 1 . ARG 99 99 27403 1 . SER 100 100 27403 1 . GLU 101 101 27403 1 . ARG 102 102 27403 1 . ARG 103 103 27403 1 . ALA 104 104 27403 1 . GLU 105 105 27403 1 . ALA 106 106 27403 1 . GLU 107 107 27403 1 . LYS 108 108 27403 1 . GLN 109 109 27403 1 . LEU 110 110 27403 1 . GLN 111 111 27403 1 . GLN 112 112 27403 1 . ALA 113 113 27403 1 . GLN 114 114 27403 1 . ALA 115 115 27403 1 . ALA 116 116 27403 1 . GLY 117 117 27403 1 . ALA 118 118 27403 1 . GLU 119 119 27403 1 . GLN 120 120 27403 1 . GLU 121 121 27403 1 . VAL 122 122 27403 1 . GLU 123 123 27403 1 . LYS 124 124 27403 1 . PHE 125 125 27403 1 . THR 126 126 27403 1 . LYS 127 127 27403 1 . ARG 128 128 27403 1 . LEU 129 129 27403 1 . VAL 130 130 27403 1 . LYS 131 131 27403 1 . VAL 132 132 27403 1 . THR 133 133 27403 1 . LYS 134 134 27403 1 . GLN 135 135 27403 1 . HIS 136 136 27403 1 . ASN 137 137 27403 1 . ASP 138 138 27403 1 . GLU 139 139 27403 1 . CYS 140 140 27403 1 . LYS 141 141 27403 1 . HIS 142 142 27403 1 . LEU 143 143 27403 1 . LEU 144 144 27403 1 . SER 145 145 27403 1 . LEU 146 146 27403 1 . MET 147 147 27403 1 . GLY 148 148 27403 1 . ILE 149 149 27403 1 . PRO 150 150 27403 1 . TYR 151 151 27403 1 . LEU 152 152 27403 1 . ASP 153 153 27403 1 . ALA 154 154 27403 1 . PRO 155 155 27403 1 . SER 156 156 27403 1 . GLU 157 157 27403 1 . ALA 158 158 27403 1 . GLU 159 159 27403 1 . ALA 160 160 27403 1 . SER 161 161 27403 1 . CYS 162 162 27403 1 . ALA 163 163 27403 1 . ALA 164 164 27403 1 . LEU 165 165 27403 1 . VAL 166 166 27403 1 . LYS 167 167 27403 1 . ALA 168 168 27403 1 . GLY 169 169 27403 1 . LYS 170 170 27403 1 . VAL 171 171 27403 1 . TYR 172 172 27403 1 . ALA 173 173 27403 1 . ALA 174 174 27403 1 . ALA 175 175 27403 1 . THR 176 176 27403 1 . GLU 177 177 27403 1 . ASP 178 178 27403 1 . MET 179 179 27403 1 . ASP 180 180 27403 1 . CYS 181 181 27403 1 . LEU 182 182 27403 1 . THR 183 183 27403 1 . PHE 184 184 27403 1 . GLY 185 185 27403 1 . SER 186 186 27403 1 . ALA 187 187 27403 1 . VAL 188 188 27403 1 . LEU 189 189 27403 1 . MET 190 190 27403 1 . ARG 191 191 27403 1 . HIS 192 192 27403 1 . LEU 193 193 27403 1 . THR 194 194 27403 1 . ALA 195 195 27403 1 . SER 196 196 27403 1 . GLU 197 197 27403 1 . ALA 198 198 27403 1 . LYS 199 199 27403 1 . LYS 200 200 27403 1 . LEU 201 201 27403 1 . PRO 202 202 27403 1 . ILE 203 203 27403 1 . GLN 204 204 27403 1 . GLU 205 205 27403 1 . PHE 206 206 27403 1 . HIS 207 207 27403 1 . LEU 208 208 27403 1 . SER 209 209 27403 1 . ARG 210 210 27403 1 . ILE 211 211 27403 1 . LEU 212 212 27403 1 . GLN 213 213 27403 1 . GLU 214 214 27403 1 . LEU 215 215 27403 1 . GLY 216 216 27403 1 . LEU 217 217 27403 1 . ASN 218 218 27403 1 . GLN 219 219 27403 1 . GLU 220 220 27403 1 . GLN 221 221 27403 1 . PHE 222 222 27403 1 . VAL 223 223 27403 1 . ASP 224 224 27403 1 . LEU 225 225 27403 1 . CYS 226 226 27403 1 . ILE 227 227 27403 1 . LEU 228 228 27403 1 . LEU 229 229 27403 1 . GLY 230 230 27403 1 . SER 231 231 27403 1 . ASP 232 232 27403 1 . TYR 233 233 27403 1 . CYS 234 234 27403 1 . GLU 235 235 27403 1 . SER 236 236 27403 1 . ILE 237 237 27403 1 . ARG 238 238 27403 1 . GLY 239 239 27403 1 . ILE 240 240 27403 1 . GLY 241 241 27403 1 . PRO 242 242 27403 1 . LYS 243 243 27403 1 . ARG 244 244 27403 1 . ALA 245 245 27403 1 . VAL 246 246 27403 1 . ASP 247 247 27403 1 . LEU 248 248 27403 1 . ILE 249 249 27403 1 . GLN 250 250 27403 1 . LYS 251 251 27403 1 . HIS 252 252 27403 1 . LYS 253 253 27403 1 . SER 254 254 27403 1 . ILE 255 255 27403 1 . GLU 256 256 27403 1 . GLU 257 257 27403 1 . ILE 258 258 27403 1 . VAL 259 259 27403 1 . ARG 260 260 27403 1 . ARG 261 261 27403 1 . LEU 262 262 27403 1 . ASP 263 263 27403 1 . PRO 264 264 27403 1 . ASN 265 265 27403 1 . LYS 266 266 27403 1 . TYR 267 267 27403 1 . PRO 268 268 27403 1 . VAL 269 269 27403 1 . PRO 270 270 27403 1 . GLU 271 271 27403 1 . ASN 272 272 27403 1 . TRP 273 273 27403 1 . LEU 274 274 27403 1 . HIS 275 275 27403 1 . LYS 276 276 27403 1 . GLU 277 277 27403 1 . ALA 278 278 27403 1 . HIS 279 279 27403 1 . GLN 280 280 27403 1 . LEU 281 281 27403 1 . PHE 282 282 27403 1 . LEU 283 283 27403 1 . GLU 284 284 27403 1 . PRO 285 285 27403 1 . GLU 286 286 27403 1 . VAL 287 287 27403 1 . LEU 288 288 27403 1 . ASP 289 289 27403 1 . PRO 290 290 27403 1 . GLU 291 291 27403 1 . SER 292 292 27403 1 . VAL 293 293 27403 1 . GLU 294 294 27403 1 . LEU 295 295 27403 1 . LYS 296 296 27403 1 . TRP 297 297 27403 1 . SER 298 298 27403 1 . GLU 299 299 27403 1 . PRO 300 300 27403 1 . ASN 301 301 27403 1 . GLU 302 302 27403 1 . GLU 303 303 27403 1 . GLU 304 304 27403 1 . LEU 305 305 27403 1 . ILE 306 306 27403 1 . LYS 307 307 27403 1 . PHE 308 308 27403 1 . MET 309 309 27403 1 . CYS 310 310 27403 1 . GLY 311 311 27403 1 . GLU 312 312 27403 1 . LYS 313 313 27403 1 . GLN 314 314 27403 1 . PHE 315 315 27403 1 . SER 316 316 27403 1 . GLU 317 317 27403 1 . GLU 318 318 27403 1 . ARG 319 319 27403 1 . ILE 320 320 27403 1 . ARG 321 321 27403 1 . SER 322 322 27403 1 . GLY 323 323 27403 1 . VAL 324 324 27403 1 . LYS 325 325 27403 1 . ARG 326 326 27403 1 . LEU 327 327 27403 1 . SER 328 328 27403 1 . LYS 329 329 27403 1 . SER 330 330 27403 1 . ARG 331 331 27403 1 . GLN 332 332 27403 1 . GLY 333 333 27403 1 . SER 334 334 27403 1 . THR 335 335 27403 1 . LEU 336 336 27403 1 . GLU 337 337 27403 1 . VAL 338 338 27403 1 . LEU 339 339 27403 1 . PHE 340 340 27403 1 . GLN 341 341 27403 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27403 _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 $hFEN1-P188A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27403 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27403 _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 $hFEN1-P188A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)-RILP . . . . . pET-29b . . . 27403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hFEN1-P188A '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $hFEN1-P188A . . 0.5 . . mM . . . . 27403 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27403 1 3 'potassium chloride' 'natural abundance' . . . . . . 76 . . mM . . . . 27403 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27403 1 5 'sodium azide' 'natural abundance' . . . . . . 4 . . mM . . . . 27403 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 27403 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27403 1 8 TSP '[U-99% 2H]' . . . . . . 0.05 . . mM . . . . 27403 1 9 beta-mercaptoethanol 'natural abundance' . . . . . . 100 . . mM . . . . 27403 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 27403 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 90 . mM 27403 1 pH 7.5 . pH 27403 1 pressure 1 . atm 27403 1 temperature 298 . K 27403 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27403 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27403 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27403 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27403 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 27403 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27403 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27403 _Software.ID 3 _Software.Type . _Software.Name CCPN_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27403 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27403 3 'data analysis' 27403 3 'peak picking' 27403 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27403 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27403 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27403 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27403 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 2 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 3 '3D TROSY-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 4 '3D TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 5 '3D TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 6 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 7 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27403 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27403 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27403 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27403 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27403 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27403 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'TROSY offset: amide protons; amide nitrogens.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 27403 1 2 '3D TROSY-HNCA' . . . 27403 1 3 '3D TROSY-HN(CO)CA' . . . 27403 1 4 '3D TROSY-HNCACB' . . . 27403 1 5 '3D TROSY-HN(CO)CACB' . . . 27403 1 6 '3D TROSY-HN(CA)CO' . . . 27403 1 7 '3D TROSY-HNCO' . . . 27403 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 $TOPSPIN . . 27403 1 2 $Felix . . 27403 1 3 $CCPN_Analysis . . 27403 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 GLY C C 13 170.41 0.000 . 1 . . . . . 2 GLY C . 27403 1 2 . 1 1 1 1 GLY CA C 13 43.739 0.000 . 1 . . . . . 2 GLY CA . 27403 1 3 . 1 1 2 2 ILE H H 1 7.986 0.005 . 1 . . . . . 3 ILE H . 27403 1 4 . 1 1 2 2 ILE C C 13 176.638 0.009 . 1 . . . . . 3 ILE C . 27403 1 5 . 1 1 2 2 ILE CA C 13 57.162 0.038 . 1 . . . . . 3 ILE CA . 27403 1 6 . 1 1 2 2 ILE CB C 13 35.460 0.034 . 1 . . . . . 3 ILE CB . 27403 1 7 . 1 1 2 2 ILE N N 15 122.217 0.041 . 1 . . . . . 3 ILE N . 27403 1 8 . 1 1 3 3 GLN H H 1 8.750 0.002 . 1 . . . . . 4 GLN H . 27403 1 9 . 1 1 3 3 GLN C C 13 176.583 0.000 . 1 . . . . . 4 GLN C . 27403 1 10 . 1 1 3 3 GLN CA C 13 57.094 0.029 . 1 . . . . . 4 GLN CA . 27403 1 11 . 1 1 3 3 GLN CB C 13 27.198 0.071 . 1 . . . . . 4 GLN CB . 27403 1 12 . 1 1 3 3 GLN N N 15 129.109 0.034 . 1 . . . . . 4 GLN N . 27403 1 13 . 1 1 4 4 GLY H H 1 8.734 0.004 . 1 . . . . . 5 GLY H . 27403 1 14 . 1 1 4 4 GLY C C 13 176.116 0.022 . 1 . . . . . 5 GLY C . 27403 1 15 . 1 1 4 4 GLY CA C 13 45.734 0.067 . 1 . . . . . 5 GLY CA . 27403 1 16 . 1 1 4 4 GLY N N 15 110.274 0.047 . 1 . . . . . 5 GLY N . 27403 1 17 . 1 1 5 5 LEU H H 1 7.148 0.003 . 1 . . . . . 6 LEU H . 27403 1 18 . 1 1 5 5 LEU C C 13 176.818 0.034 . 1 . . . . . 6 LEU C . 27403 1 19 . 1 1 5 5 LEU CA C 13 57.540 0.035 . 1 . . . . . 6 LEU CA . 27403 1 20 . 1 1 5 5 LEU CB C 13 39.744 0.018 . 1 . . . . . 6 LEU CB . 27403 1 21 . 1 1 5 5 LEU N N 15 121.988 0.024 . 1 . . . . . 6 LEU N . 27403 1 22 . 1 1 6 6 ALA H H 1 8.496 0.006 . 1 . . . . . 7 ALA H . 27403 1 23 . 1 1 6 6 ALA C C 13 180.252 0.011 . 1 . . . . . 7 ALA C . 27403 1 24 . 1 1 6 6 ALA CA C 13 56.412 0.014 . 1 . . . . . 7 ALA CA . 27403 1 25 . 1 1 6 6 ALA CB C 13 16.475 0.008 . 1 . . . . . 7 ALA CB . 27403 1 26 . 1 1 6 6 ALA N N 15 121.499 0.091 . 1 . . . . . 7 ALA N . 27403 1 27 . 1 1 7 7 LYS H H 1 7.949 0.003 . 1 . . . . . 8 LYS H . 27403 1 28 . 1 1 7 7 LYS C C 13 177.661 0.010 . 1 . . . . . 8 LYS C . 27403 1 29 . 1 1 7 7 LYS CA C 13 58.180 0.049 . 1 . . . . . 8 LYS CA . 27403 1 30 . 1 1 7 7 LYS CB C 13 31.239 0.062 . 1 . . . . . 8 LYS CB . 27403 1 31 . 1 1 7 7 LYS N N 15 119.334 0.054 . 1 . . . . . 8 LYS N . 27403 1 32 . 1 1 8 8 LEU H H 1 7.757 0.004 . 1 . . . . . 9 LEU H . 27403 1 33 . 1 1 8 8 LEU C C 13 179.177 0.000 . 1 . . . . . 9 LEU C . 27403 1 34 . 1 1 8 8 LEU CA C 13 57.592 0.018 . 1 . . . . . 9 LEU CA . 27403 1 35 . 1 1 8 8 LEU CB C 13 41.193 0.032 . 1 . . . . . 9 LEU CB . 27403 1 36 . 1 1 8 8 LEU N N 15 119.972 0.069 . 1 . . . . . 9 LEU N . 27403 1 37 . 1 1 9 9 ILE H H 1 8.366 0.004 . 1 . . . . . 10 ILE H . 27403 1 38 . 1 1 9 9 ILE C C 13 177.110 0.000 . 1 . . . . . 10 ILE C . 27403 1 39 . 1 1 9 9 ILE CA C 13 64.072 0.005 . 1 . . . . . 10 ILE CA . 27403 1 40 . 1 1 9 9 ILE CB C 13 35.923 0.088 . 1 . . . . . 10 ILE CB . 27403 1 41 . 1 1 9 9 ILE N N 15 117.530 0.048 . 1 . . . . . 10 ILE N . 27403 1 42 . 1 1 10 10 ALA H H 1 7.396 0.004 . 1 . . . . . 11 ALA H . 27403 1 43 . 1 1 10 10 ALA C C 13 178.291 0.010 . 1 . . . . . 11 ALA C . 27403 1 44 . 1 1 10 10 ALA CA C 13 54.871 0.057 . 1 . . . . . 11 ALA CA . 27403 1 45 . 1 1 10 10 ALA CB C 13 17.025 0.032 . 1 . . . . . 11 ALA CB . 27403 1 46 . 1 1 10 10 ALA N N 15 120.093 0.039 . 1 . . . . . 11 ALA N . 27403 1 47 . 1 1 11 11 ASP H H 1 7.739 0.003 . 1 . . . . . 12 ASP H . 27403 1 48 . 1 1 11 11 ASP C C 13 178.471 0.000 . 1 . . . . . 12 ASP C . 27403 1 49 . 1 1 11 11 ASP CA C 13 56.295 0.021 . 1 . . . . . 12 ASP CA . 27403 1 50 . 1 1 11 11 ASP CB C 13 41.183 0.000 . 1 . . . . . 12 ASP CB . 27403 1 51 . 1 1 11 11 ASP N N 15 115.758 0.085 . 1 . . . . . 12 ASP N . 27403 1 52 . 1 1 12 12 VAL H H 1 8.372 0.003 . 1 . . . . . 13 VAL H . 27403 1 53 . 1 1 12 12 VAL C C 13 175.340 0.018 . 1 . . . . . 13 VAL C . 27403 1 54 . 1 1 12 12 VAL CA C 13 61.367 0.031 . 1 . . . . . 13 VAL CA . 27403 1 55 . 1 1 12 12 VAL CB C 13 32.223 0.020 . 1 . . . . . 13 VAL CB . 27403 1 56 . 1 1 12 12 VAL N N 15 111.512 0.100 . 1 . . . . . 13 VAL N . 27403 1 57 . 1 1 13 13 ALA H H 1 8.794 0.004 . 1 . . . . . 14 ALA H . 27403 1 58 . 1 1 13 13 ALA CA C 13 49.819 0.000 . 1 . . . . . 14 ALA CA . 27403 1 59 . 1 1 13 13 ALA CB C 13 18.237 0.000 . 1 . . . . . 14 ALA CB . 27403 1 60 . 1 1 13 13 ALA N N 15 125.506 0.067 . 1 . . . . . 14 ALA N . 27403 1 61 . 1 1 14 14 PRO C C 13 179.269 0.000 . 1 . . . . . 15 PRO C . 27403 1 62 . 1 1 14 14 PRO CA C 13 64.990 0.057 . 1 . . . . . 15 PRO CA . 27403 1 63 . 1 1 14 14 PRO CB C 13 29.869 0.094 . 1 . . . . . 15 PRO CB . 27403 1 64 . 1 1 15 15 SER H H 1 8.117 0.005 . 1 . . . . . 16 SER H . 27403 1 65 . 1 1 15 15 SER C C 13 175.305 0.048 . 1 . . . . . 16 SER C . 27403 1 66 . 1 1 15 15 SER CA C 13 59.831 0.024 . 1 . . . . . 16 SER CA . 27403 1 67 . 1 1 15 15 SER CB C 13 61.811 0.029 . 1 . . . . . 16 SER CB . 27403 1 68 . 1 1 15 15 SER N N 15 113.285 0.036 . 1 . . . . . 16 SER N . 27403 1 69 . 1 1 16 16 ALA H H 1 8.193 0.002 . 1 . . . . . 17 ALA H . 27403 1 70 . 1 1 16 16 ALA C C 13 174.642 0.021 . 1 . . . . . 17 ALA C . 27403 1 71 . 1 1 16 16 ALA CA C 13 52.210 0.030 . 1 . . . . . 17 ALA CA . 27403 1 72 . 1 1 16 16 ALA CB C 13 20.165 0.141 . 1 . . . . . 17 ALA CB . 27403 1 73 . 1 1 16 16 ALA N N 15 123.640 0.096 . 1 . . . . . 17 ALA N . 27403 1 74 . 1 1 17 17 ILE H H 1 7.217 0.005 . 1 . . . . . 18 ILE H . 27403 1 75 . 1 1 17 17 ILE C C 13 175.856 0.017 . 1 . . . . . 18 ILE C . 27403 1 76 . 1 1 17 17 ILE CA C 13 59.298 0.027 . 1 . . . . . 18 ILE CA . 27403 1 77 . 1 1 17 17 ILE CB C 13 38.511 0.038 . 1 . . . . . 18 ILE CB . 27403 1 78 . 1 1 17 17 ILE N N 15 117.472 0.043 . 1 . . . . . 18 ILE N . 27403 1 79 . 1 1 18 18 ARG H H 1 8.676 0.003 . 1 . . . . . 19 ARG H . 27403 1 80 . 1 1 18 18 ARG C C 13 174.636 0.015 . 1 . . . . . 19 ARG C . 27403 1 81 . 1 1 18 18 ARG CA C 13 53.567 0.023 . 1 . . . . . 19 ARG CA . 27403 1 82 . 1 1 18 18 ARG CB C 13 32.221 0.018 . 1 . . . . . 19 ARG CB . 27403 1 83 . 1 1 18 18 ARG N N 15 125.696 0.031 . 1 . . . . . 19 ARG N . 27403 1 84 . 1 1 19 19 GLU H H 1 8.382 0.002 . 1 . . . . . 20 GLU H . 27403 1 85 . 1 1 19 19 GLU C C 13 175.799 0.005 . 1 . . . . . 20 GLU C . 27403 1 86 . 1 1 19 19 GLU CA C 13 54.388 0.020 . 1 . . . . . 20 GLU CA . 27403 1 87 . 1 1 19 19 GLU CB C 13 30.729 0.000 . 1 . . . . . 20 GLU CB . 27403 1 88 . 1 1 19 19 GLU N N 15 122.618 0.024 . 1 . . . . . 20 GLU N . 27403 1 89 . 1 1 20 20 ASN H H 1 8.853 0.003 . 1 . . . . . 21 ASN H . 27403 1 90 . 1 1 20 20 ASN C C 13 173.809 0.016 . 1 . . . . . 21 ASN C . 27403 1 91 . 1 1 20 20 ASN CA C 13 51.459 0.016 . 1 . . . . . 21 ASN CA . 27403 1 92 . 1 1 20 20 ASN CB C 13 42.827 0.206 . 1 . . . . . 21 ASN CB . 27403 1 93 . 1 1 20 20 ASN N N 15 121.557 0.043 . 1 . . . . . 21 ASN N . 27403 1 94 . 1 1 21 21 ASP H H 1 8.583 0.002 . 1 . . . . . 22 ASP H . 27403 1 95 . 1 1 21 21 ASP C C 13 177.878 0.022 . 1 . . . . . 22 ASP C . 27403 1 96 . 1 1 21 21 ASP CA C 13 53.687 0.021 . 1 . . . . . 22 ASP CA . 27403 1 97 . 1 1 21 21 ASP CB C 13 42.471 0.029 . 1 . . . . . 22 ASP CB . 27403 1 98 . 1 1 21 21 ASP N N 15 120.400 0.042 . 1 . . . . . 22 ASP N . 27403 1 99 . 1 1 22 22 ILE H H 1 8.650 0.002 . 1 . . . . . 23 ILE H . 27403 1 100 . 1 1 22 22 ILE C C 13 175.054 0.027 . 1 . . . . . 23 ILE C . 27403 1 101 . 1 1 22 22 ILE CA C 13 64.720 0.009 . 1 . . . . . 23 ILE CA . 27403 1 102 . 1 1 22 22 ILE CB C 13 37.270 0.030 . 1 . . . . . 23 ILE CB . 27403 1 103 . 1 1 22 22 ILE N N 15 127.007 0.058 . 1 . . . . . 23 ILE N . 27403 1 104 . 1 1 23 23 LYS H H 1 8.219 0.003 . 1 . . . . . 24 LYS H . 27403 1 105 . 1 1 23 23 LYS C C 13 178.972 0.024 . 1 . . . . . 24 LYS C . 27403 1 106 . 1 1 23 23 LYS CA C 13 57.864 0.044 . 1 . . . . . 24 LYS CA . 27403 1 107 . 1 1 23 23 LYS CB C 13 31.098 0.021 . 1 . . . . . 24 LYS CB . 27403 1 108 . 1 1 23 23 LYS N N 15 120.250 0.067 . 1 . . . . . 24 LYS N . 27403 1 109 . 1 1 24 24 SER H H 1 7.895 0.004 . 1 . . . . . 25 SER H . 27403 1 110 . 1 1 24 24 SER C C 13 174.483 0.016 . 1 . . . . . 25 SER C . 27403 1 111 . 1 1 24 24 SER CA C 13 59.826 0.010 . 1 . . . . . 25 SER CA . 27403 1 112 . 1 1 24 24 SER CB C 13 62.416 0.030 . 1 . . . . . 25 SER CB . 27403 1 113 . 1 1 24 24 SER N N 15 114.997 0.034 . 1 . . . . . 25 SER N . 27403 1 114 . 1 1 25 25 TYR H H 1 7.459 0.002 . 1 . . . . . 26 TYR H . 27403 1 115 . 1 1 25 25 TYR C C 13 172.935 0.006 . 1 . . . . . 26 TYR C . 27403 1 116 . 1 1 25 25 TYR CA C 13 58.311 0.007 . 1 . . . . . 26 TYR CA . 27403 1 117 . 1 1 25 25 TYR CB C 13 36.987 0.018 . 1 . . . . . 26 TYR CB . 27403 1 118 . 1 1 25 25 TYR N N 15 119.228 0.032 . 1 . . . . . 26 TYR N . 27403 1 119 . 1 1 26 26 PHE H H 1 6.963 0.003 . 1 . . . . . 27 PHE H . 27403 1 120 . 1 1 26 26 PHE C C 13 177.184 0.018 . 1 . . . . . 27 PHE C . 27403 1 121 . 1 1 26 26 PHE CA C 13 60.264 0.057 . 1 . . . . . 27 PHE CA . 27403 1 122 . 1 1 26 26 PHE CB C 13 38.318 0.045 . 1 . . . . . 27 PHE CB . 27403 1 123 . 1 1 26 26 PHE N N 15 120.213 0.043 . 1 . . . . . 27 PHE N . 27403 1 124 . 1 1 27 27 GLY H H 1 8.173 0.004 . 1 . . . . . 28 GLY H . 27403 1 125 . 1 1 27 27 GLY C C 13 174.296 0.017 . 1 . . . . . 28 GLY C . 27403 1 126 . 1 1 27 27 GLY CA C 13 44.607 0.085 . 1 . . . . . 28 GLY CA . 27403 1 127 . 1 1 27 27 GLY N N 15 117.072 0.074 . 1 . . . . . 28 GLY N . 27403 1 128 . 1 1 28 28 ARG H H 1 7.876 0.005 . 1 . . . . . 29 ARG H . 27403 1 129 . 1 1 28 28 ARG C C 13 174.999 0.008 . 1 . . . . . 29 ARG C . 27403 1 130 . 1 1 28 28 ARG CA C 13 54.027 0.054 . 1 . . . . . 29 ARG CA . 27403 1 131 . 1 1 28 28 ARG CB C 13 29.569 0.046 . 1 . . . . . 29 ARG CB . 27403 1 132 . 1 1 28 28 ARG N N 15 119.044 0.053 . 1 . . . . . 29 ARG N . 27403 1 133 . 1 1 29 29 LYS H H 1 8.353 0.004 . 1 . . . . . 30 LYS H . 27403 1 134 . 1 1 29 29 LYS C C 13 177.385 0.000 . 1 . . . . . 30 LYS C . 27403 1 135 . 1 1 29 29 LYS CB C 13 34.085 0.000 . 1 . . . . . 30 LYS CB . 27403 1 136 . 1 1 29 29 LYS N N 15 121.636 0.052 . 1 . . . . . 30 LYS N . 27403 1 137 . 1 1 30 30 VAL C C 13 173.218 0.000 . 1 . . . . . 31 VAL C . 27403 1 138 . 1 1 30 30 VAL CA C 13 59.335 0.024 . 1 . . . . . 31 VAL CA . 27403 1 139 . 1 1 30 30 VAL CB C 13 35.312 0.021 . 1 . . . . . 31 VAL CB . 27403 1 140 . 1 1 31 31 ALA H H 1 8.204 0.002 . 1 . . . . . 32 ALA H . 27403 1 141 . 1 1 31 31 ALA C C 13 174.769 0.000 . 1 . . . . . 32 ALA C . 27403 1 142 . 1 1 31 31 ALA CA C 13 49.453 0.049 . 1 . . . . . 32 ALA CA . 27403 1 143 . 1 1 31 31 ALA CB C 13 19.830 0.044 . 1 . . . . . 32 ALA CB . 27403 1 144 . 1 1 31 31 ALA N N 15 125.437 0.038 . 1 . . . . . 32 ALA N . 27403 1 145 . 1 1 32 32 ILE H H 1 8.845 0.006 . 1 . . . . . 33 ILE H . 27403 1 146 . 1 1 32 32 ILE CA C 13 59.175 0.000 . 1 . . . . . 33 ILE CA . 27403 1 147 . 1 1 32 32 ILE CB C 13 39.351 0.000 . 1 . . . . . 33 ILE CB . 27403 1 148 . 1 1 32 32 ILE N N 15 124.265 0.047 . 1 . . . . . 33 ILE N . 27403 1 149 . 1 1 41 41 PHE C C 13 178.499 0.000 . 1 . . . . . 42 PHE C . 27403 1 150 . 1 1 42 42 LEU H H 1 8.042 0.002 . 1 . . . . . 43 LEU H . 27403 1 151 . 1 1 42 42 LEU C C 13 179.797 0.000 . 1 . . . . . 43 LEU C . 27403 1 152 . 1 1 42 42 LEU CA C 13 56.989 0.000 . 1 . . . . . 43 LEU CA . 27403 1 153 . 1 1 42 42 LEU CB C 13 41.391 0.018 . 1 . . . . . 43 LEU CB . 27403 1 154 . 1 1 42 42 LEU N N 15 119.039 0.053 . 1 . . . . . 43 LEU N . 27403 1 155 . 1 1 43 43 ILE H H 1 7.660 0.002 . 1 . . . . . 44 ILE H . 27403 1 156 . 1 1 43 43 ILE C C 13 177.033 0.023 . 1 . . . . . 44 ILE C . 27403 1 157 . 1 1 43 43 ILE CA C 13 61.909 0.090 . 1 . . . . . 44 ILE CA . 27403 1 158 . 1 1 43 43 ILE CB C 13 37.004 0.092 . 1 . . . . . 44 ILE CB . 27403 1 159 . 1 1 43 43 ILE N N 15 114.753 0.045 . 1 . . . . . 44 ILE N . 27403 1 160 . 1 1 44 44 ALA H H 1 7.284 0.005 . 1 . . . . . 45 ALA H . 27403 1 161 . 1 1 44 44 ALA C C 13 178.409 0.021 . 1 . . . . . 45 ALA C . 27403 1 162 . 1 1 44 44 ALA CA C 13 53.016 0.041 . 1 . . . . . 45 ALA CA . 27403 1 163 . 1 1 44 44 ALA CB C 13 18.231 0.118 . 1 . . . . . 45 ALA CB . 27403 1 164 . 1 1 44 44 ALA N N 15 124.512 0.052 . 1 . . . . . 45 ALA N . 27403 1 165 . 1 1 45 45 VAL H H 1 7.504 0.003 . 1 . . . . . 46 VAL H . 27403 1 166 . 1 1 45 45 VAL C C 13 176.563 0.049 . 1 . . . . . 46 VAL C . 27403 1 167 . 1 1 45 45 VAL CA C 13 62.412 0.049 . 1 . . . . . 46 VAL CA . 27403 1 168 . 1 1 45 45 VAL CB C 13 31.412 0.052 . 1 . . . . . 46 VAL CB . 27403 1 169 . 1 1 45 45 VAL N N 15 117.103 0.050 . 1 . . . . . 46 VAL N . 27403 1 170 . 1 1 46 46 ARG H H 1 8.090 0.003 . 1 . . . . . 47 ARG H . 27403 1 171 . 1 1 46 46 ARG CA C 13 55.792 0.000 . 1 . . . . . 47 ARG CA . 27403 1 172 . 1 1 46 46 ARG CB C 13 29.546 0.000 . 1 . . . . . 47 ARG CB . 27403 1 173 . 1 1 46 46 ARG N N 15 123.730 0.056 . 1 . . . . . 47 ARG N . 27403 1 174 . 1 1 49 49 GLY C C 13 173.951 0.000 . 1 . . . . . 50 GLY C . 27403 1 175 . 1 1 49 49 GLY CA C 13 44.924 0.000 . 1 . . . . . 50 GLY CA . 27403 1 176 . 1 1 50 50 ASP H H 1 8.188 0.002 . 1 . . . . . 51 ASP H . 27403 1 177 . 1 1 50 50 ASP C C 13 176.299 0.008 . 1 . . . . . 51 ASP C . 27403 1 178 . 1 1 50 50 ASP CA C 13 53.961 0.000 . 1 . . . . . 51 ASP CA . 27403 1 179 . 1 1 50 50 ASP CB C 13 40.668 0.085 . 1 . . . . . 51 ASP CB . 27403 1 180 . 1 1 50 50 ASP N N 15 120.857 0.039 . 1 . . . . . 51 ASP N . 27403 1 181 . 1 1 51 51 VAL H H 1 7.881 0.002 . 1 . . . . . 52 VAL H . 27403 1 182 . 1 1 51 51 VAL C C 13 176.291 0.023 . 1 . . . . . 52 VAL C . 27403 1 183 . 1 1 51 51 VAL CA C 13 62.196 0.031 . 1 . . . . . 52 VAL CA . 27403 1 184 . 1 1 51 51 VAL CB C 13 31.602 0.027 . 1 . . . . . 52 VAL CB . 27403 1 185 . 1 1 51 51 VAL N N 15 119.767 0.023 . 1 . . . . . 52 VAL N . 27403 1 186 . 1 1 52 52 LEU H H 1 8.197 0.003 . 1 . . . . . 53 LEU H . 27403 1 187 . 1 1 52 52 LEU C C 13 177.449 0.007 . 1 . . . . . 53 LEU C . 27403 1 188 . 1 1 52 52 LEU CA C 13 54.774 0.004 . 1 . . . . . 53 LEU CA . 27403 1 189 . 1 1 52 52 LEU CB C 13 40.932 0.014 . 1 . . . . . 53 LEU CB . 27403 1 190 . 1 1 52 52 LEU N N 15 124.821 0.026 . 1 . . . . . 53 LEU N . 27403 1 191 . 1 1 53 53 GLN H H 1 8.177 0.002 . 1 . . . . . 54 GLN H . 27403 1 192 . 1 1 53 53 GLN C C 13 175.839 0.000 . 1 . . . . . 54 GLN C . 27403 1 193 . 1 1 53 53 GLN CA C 13 55.652 0.000 . 1 . . . . . 54 GLN CA . 27403 1 194 . 1 1 53 53 GLN CB C 13 28.451 0.000 . 1 . . . . . 54 GLN CB . 27403 1 195 . 1 1 53 53 GLN N N 15 120.437 0.073 . 1 . . . . . 54 GLN N . 27403 1 196 . 1 1 64 64 MET C C 13 178.100 0.000 . 1 . . . . . 65 MET C . 27403 1 197 . 1 1 65 65 GLY H H 1 7.832 0.002 . 1 . . . . . 66 GLY H . 27403 1 198 . 1 1 65 65 GLY C C 13 174.903 0.037 . 1 . . . . . 66 GLY C . 27403 1 199 . 1 1 65 65 GLY CA C 13 46.083 0.175 . 1 . . . . . 66 GLY CA . 27403 1 200 . 1 1 65 65 GLY N N 15 104.597 0.035 . 1 . . . . . 66 GLY N . 27403 1 201 . 1 1 66 66 MET H H 1 7.144 0.005 . 1 . . . . . 67 MET H . 27403 1 202 . 1 1 66 66 MET C C 13 178.714 0.000 . 1 . . . . . 67 MET C . 27403 1 203 . 1 1 66 66 MET CA C 13 58.282 0.000 . 1 . . . . . 67 MET CA . 27403 1 204 . 1 1 66 66 MET N N 15 120.335 0.038 . 1 . . . . . 67 MET N . 27403 1 205 . 1 1 67 67 PHE H H 1 8.223 0.005 . 1 . . . . . 68 PHE H . 27403 1 206 . 1 1 67 67 PHE C C 13 175.838 0.000 . 1 . . . . . 68 PHE C . 27403 1 207 . 1 1 67 67 PHE CA C 13 60.779 0.068 . 1 . . . . . 68 PHE CA . 27403 1 208 . 1 1 67 67 PHE CB C 13 39.273 0.000 . 1 . . . . . 68 PHE CB . 27403 1 209 . 1 1 67 67 PHE N N 15 120.942 0.092 . 1 . . . . . 68 PHE N . 27403 1 210 . 1 1 68 68 TYR H H 1 8.120 0.005 . 1 . . . . . 69 TYR H . 27403 1 211 . 1 1 68 68 TYR C C 13 180.244 0.000 . 1 . . . . . 69 TYR C . 27403 1 212 . 1 1 68 68 TYR CA C 13 62.896 0.122 . 1 . . . . . 69 TYR CA . 27403 1 213 . 1 1 68 68 TYR CB C 13 36.763 0.154 . 1 . . . . . 69 TYR CB . 27403 1 214 . 1 1 68 68 TYR N N 15 115.293 0.067 . 1 . . . . . 69 TYR N . 27403 1 215 . 1 1 69 69 ARG H H 1 8.875 0.002 . 1 . . . . . 70 ARG H . 27403 1 216 . 1 1 69 69 ARG CA C 13 58.323 0.000 . 1 . . . . . 70 ARG CA . 27403 1 217 . 1 1 69 69 ARG CB C 13 27.787 0.000 . 1 . . . . . 70 ARG CB . 27403 1 218 . 1 1 69 69 ARG N N 15 118.413 0.059 . 1 . . . . . 70 ARG N . 27403 1 219 . 1 1 70 70 THR C C 13 176.260 0.000 . 1 . . . . . 71 THR C . 27403 1 220 . 1 1 71 71 ILE H H 1 7.805 0.005 . 1 . . . . . 72 ILE H . 27403 1 221 . 1 1 71 71 ILE C C 13 176.516 0.000 . 1 . . . . . 72 ILE C . 27403 1 222 . 1 1 71 71 ILE CA C 13 65.848 0.089 . 1 . . . . . 72 ILE CA . 27403 1 223 . 1 1 71 71 ILE CB C 13 36.990 0.116 . 1 . . . . . 72 ILE CB . 27403 1 224 . 1 1 71 71 ILE N N 15 122.849 0.018 . 1 . . . . . 72 ILE N . 27403 1 225 . 1 1 72 72 ARG H H 1 7.484 0.005 . 1 . . . . . 73 ARG H . 27403 1 226 . 1 1 72 72 ARG C C 13 179.050 0.000 . 1 . . . . . 73 ARG C . 27403 1 227 . 1 1 72 72 ARG CA C 13 58.678 0.020 . 1 . . . . . 73 ARG CA . 27403 1 228 . 1 1 72 72 ARG CB C 13 28.255 0.002 . 1 . . . . . 73 ARG CB . 27403 1 229 . 1 1 72 72 ARG N N 15 118.653 0.032 . 1 . . . . . 73 ARG N . 27403 1 230 . 1 1 73 73 MET H H 1 7.363 0.005 . 1 . . . . . 74 MET H . 27403 1 231 . 1 1 73 73 MET C C 13 178.026 0.000 . 1 . . . . . 74 MET C . 27403 1 232 . 1 1 73 73 MET CA C 13 60.368 0.000 . 1 . . . . . 74 MET CA . 27403 1 233 . 1 1 73 73 MET CB C 13 31.943 0.000 . 1 . . . . . 74 MET CB . 27403 1 234 . 1 1 73 73 MET N N 15 116.756 0.060 . 1 . . . . . 74 MET N . 27403 1 235 . 1 1 74 74 MET C C 13 181.273 0.001 . 1 . . . . . 75 MET C . 27403 1 236 . 1 1 74 74 MET CA C 13 57.878 0.000 . 1 . . . . . 75 MET CA . 27403 1 237 . 1 1 74 74 MET CB C 13 31.429 0.000 . 1 . . . . . 75 MET CB . 27403 1 238 . 1 1 75 75 GLU H H 1 9.138 0.008 . 1 . . . . . 76 GLU H . 27403 1 239 . 1 1 75 75 GLU C C 13 177.018 0.006 . 1 . . . . . 76 GLU C . 27403 1 240 . 1 1 75 75 GLU CA C 13 58.174 0.042 . 1 . . . . . 76 GLU CA . 27403 1 241 . 1 1 75 75 GLU CB C 13 28.467 0.122 . 1 . . . . . 76 GLU CB . 27403 1 242 . 1 1 75 75 GLU N N 15 121.458 0.040 . 1 . . . . . 76 GLU N . 27403 1 243 . 1 1 76 76 ASN H H 1 7.167 0.002 . 1 . . . . . 77 ASN H . 27403 1 244 . 1 1 76 76 ASN C C 13 173.437 0.000 . 1 . . . . . 77 ASN C . 27403 1 245 . 1 1 76 76 ASN CA C 13 53.840 0.049 . 1 . . . . . 77 ASN CA . 27403 1 246 . 1 1 76 76 ASN CB C 13 40.164 0.144 . 1 . . . . . 77 ASN CB . 27403 1 247 . 1 1 76 76 ASN N N 15 117.082 0.077 . 1 . . . . . 77 ASN N . 27403 1 248 . 1 1 77 77 GLY H H 1 7.746 0.005 . 1 . . . . . 78 GLY H . 27403 1 249 . 1 1 77 77 GLY C C 13 174.343 0.031 . 1 . . . . . 78 GLY C . 27403 1 250 . 1 1 77 77 GLY CA C 13 46.041 0.041 . 1 . . . . . 78 GLY CA . 27403 1 251 . 1 1 77 77 GLY N N 15 105.747 0.043 . 1 . . . . . 78 GLY N . 27403 1 252 . 1 1 78 78 ILE H H 1 7.762 0.003 . 1 . . . . . 79 ILE H . 27403 1 253 . 1 1 78 78 ILE C C 13 174.231 0.007 . 1 . . . . . 79 ILE C . 27403 1 254 . 1 1 78 78 ILE CA C 13 60.509 0.032 . 1 . . . . . 79 ILE CA . 27403 1 255 . 1 1 78 78 ILE CB C 13 37.768 0.049 . 1 . . . . . 79 ILE CB . 27403 1 256 . 1 1 78 78 ILE N N 15 124.842 0.042 . 1 . . . . . 79 ILE N . 27403 1 257 . 1 1 79 79 LYS H H 1 7.917 0.004 . 1 . . . . . 80 LYS H . 27403 1 258 . 1 1 79 79 LYS CA C 13 51.923 0.000 . 1 . . . . . 80 LYS CA . 27403 1 259 . 1 1 79 79 LYS CB C 13 31.384 0.000 . 1 . . . . . 80 LYS CB . 27403 1 260 . 1 1 79 79 LYS N N 15 126.917 0.053 . 1 . . . . . 80 LYS N . 27403 1 261 . 1 1 80 80 PRO C C 13 176.836 0.048 . 1 . . . . . 81 PRO C . 27403 1 262 . 1 1 80 80 PRO CA C 13 61.366 0.016 . 1 . . . . . 81 PRO CA . 27403 1 263 . 1 1 80 80 PRO CB C 13 32.693 0.097 . 1 . . . . . 81 PRO CB . 27403 1 264 . 1 1 81 81 VAL H H 1 8.586 0.003 . 1 . . . . . 82 VAL H . 27403 1 265 . 1 1 81 81 VAL C C 13 174.152 0.013 . 1 . . . . . 82 VAL C . 27403 1 266 . 1 1 81 81 VAL CA C 13 58.762 0.025 . 1 . . . . . 82 VAL CA . 27403 1 267 . 1 1 81 81 VAL CB C 13 33.594 0.068 . 1 . . . . . 82 VAL CB . 27403 1 268 . 1 1 81 81 VAL N N 15 118.135 0.059 . 1 . . . . . 82 VAL N . 27403 1 269 . 1 1 82 82 TYR H H 1 7.936 0.005 . 1 . . . . . 83 TYR H . 27403 1 270 . 1 1 82 82 TYR C C 13 174.640 0.000 . 1 . . . . . 83 TYR C . 27403 1 271 . 1 1 82 82 TYR CA C 13 58.365 0.017 . 1 . . . . . 83 TYR CA . 27403 1 272 . 1 1 82 82 TYR CB C 13 40.003 0.049 . 1 . . . . . 83 TYR CB . 27403 1 273 . 1 1 82 82 TYR N N 15 127.426 0.035 . 1 . . . . . 83 TYR N . 27403 1 274 . 1 1 83 83 VAL H H 1 9.106 0.005 . 1 . . . . . 84 VAL H . 27403 1 275 . 1 1 83 83 VAL C C 13 174.912 0.023 . 1 . . . . . 84 VAL C . 27403 1 276 . 1 1 83 83 VAL CA C 13 60.681 0.047 . 1 . . . . . 84 VAL CA . 27403 1 277 . 1 1 83 83 VAL CB C 13 32.397 0.000 . 1 . . . . . 84 VAL CB . 27403 1 278 . 1 1 83 83 VAL N N 15 123.103 0.062 . 1 . . . . . 84 VAL N . 27403 1 279 . 1 1 84 84 PHE H H 1 9.288 0.004 . 1 . . . . . 85 PHE H . 27403 1 280 . 1 1 84 84 PHE C C 13 175.804 0.000 . 1 . . . . . 85 PHE C . 27403 1 281 . 1 1 84 84 PHE CA C 13 57.363 0.008 . 1 . . . . . 85 PHE CA . 27403 1 282 . 1 1 84 84 PHE CB C 13 40.375 0.163 . 1 . . . . . 85 PHE CB . 27403 1 283 . 1 1 84 84 PHE N N 15 128.238 0.064 . 1 . . . . . 85 PHE N . 27403 1 284 . 1 1 85 85 ASP H H 1 8.838 0.005 . 1 . . . . . 86 ASP H . 27403 1 285 . 1 1 85 85 ASP C C 13 177.407 0.000 . 1 . . . . . 86 ASP C . 27403 1 286 . 1 1 85 85 ASP CA C 13 55.644 0.006 . 1 . . . . . 86 ASP CA . 27403 1 287 . 1 1 85 85 ASP CB C 13 41.868 0.075 . 1 . . . . . 86 ASP CB . 27403 1 288 . 1 1 85 85 ASP N N 15 121.099 0.052 . 1 . . . . . 86 ASP N . 27403 1 289 . 1 1 86 86 GLY H H 1 8.763 0.002 . 1 . . . . . 87 GLY H . 27403 1 290 . 1 1 86 86 GLY C C 13 173.946 0.042 . 1 . . . . . 87 GLY C . 27403 1 291 . 1 1 86 86 GLY CA C 13 44.318 0.089 . 1 . . . . . 87 GLY CA . 27403 1 292 . 1 1 86 86 GLY N N 15 113.186 0.081 . 1 . . . . . 87 GLY N . 27403 1 293 . 1 1 87 87 LYS H H 1 7.621 0.002 . 1 . . . . . 88 LYS H . 27403 1 294 . 1 1 87 87 LYS CA C 13 53.943 0.000 . 1 . . . . . 88 LYS CA . 27403 1 295 . 1 1 87 87 LYS CB C 13 31.378 0.000 . 1 . . . . . 88 LYS CB . 27403 1 296 . 1 1 87 87 LYS N N 15 127.979 0.033 . 1 . . . . . 88 LYS N . 27403 1 297 . 1 1 103 103 ARG C C 13 178.801 0.000 . 1 . . . . . 104 ARG C . 27403 1 298 . 1 1 103 103 ARG CA C 13 56.563 0.071 . 1 . . . . . 104 ARG CA . 27403 1 299 . 1 1 104 104 ALA H H 1 7.894 0.006 . 1 . . . . . 105 ALA H . 27403 1 300 . 1 1 104 104 ALA C C 13 179.390 0.000 . 1 . . . . . 105 ALA C . 27403 1 301 . 1 1 104 104 ALA CA C 13 53.418 0.028 . 1 . . . . . 105 ALA CA . 27403 1 302 . 1 1 104 104 ALA CB C 13 17.718 0.063 . 1 . . . . . 105 ALA CB . 27403 1 303 . 1 1 104 104 ALA N N 15 123.142 0.054 . 1 . . . . . 105 ALA N . 27403 1 304 . 1 1 105 105 GLU H H 1 8.130 0.003 . 1 . . . . . 106 GLU H . 27403 1 305 . 1 1 105 105 GLU C C 13 177.735 0.002 . 1 . . . . . 106 GLU C . 27403 1 306 . 1 1 105 105 GLU CA C 13 57.523 0.018 . 1 . . . . . 106 GLU CA . 27403 1 307 . 1 1 105 105 GLU CB C 13 28.747 0.019 . 1 . . . . . 106 GLU CB . 27403 1 308 . 1 1 105 105 GLU N N 15 119.612 0.042 . 1 . . . . . 106 GLU N . 27403 1 309 . 1 1 106 106 ALA H H 1 7.967 0.005 . 1 . . . . . 107 ALA H . 27403 1 310 . 1 1 106 106 ALA C C 13 179.403 0.014 . 1 . . . . . 107 ALA C . 27403 1 311 . 1 1 106 106 ALA CA C 13 53.420 0.023 . 1 . . . . . 107 ALA CA . 27403 1 312 . 1 1 106 106 ALA CB C 13 17.780 0.042 . 1 . . . . . 107 ALA CB . 27403 1 313 . 1 1 106 106 ALA N N 15 123.318 0.052 . 1 . . . . . 107 ALA N . 27403 1 314 . 1 1 107 107 GLU H H 1 8.108 0.004 . 1 . . . . . 108 GLU H . 27403 1 315 . 1 1 107 107 GLU C C 13 177.858 0.019 . 1 . . . . . 108 GLU C . 27403 1 316 . 1 1 107 107 GLU CA C 13 57.509 0.015 . 1 . . . . . 108 GLU CA . 27403 1 317 . 1 1 107 107 GLU CB C 13 28.799 0.004 . 1 . . . . . 108 GLU CB . 27403 1 318 . 1 1 107 107 GLU N N 15 119.001 0.056 . 1 . . . . . 108 GLU N . 27403 1 319 . 1 1 108 108 LYS H H 1 7.855 0.003 . 1 . . . . . 109 LYS H . 27403 1 320 . 1 1 108 108 LYS C C 13 177.775 0.000 . 1 . . . . . 109 LYS C . 27403 1 321 . 1 1 108 108 LYS CA C 13 57.398 0.010 . 1 . . . . . 109 LYS CA . 27403 1 322 . 1 1 108 108 LYS CB C 13 31.493 0.043 . 1 . . . . . 109 LYS CB . 27403 1 323 . 1 1 108 108 LYS N N 15 120.959 0.032 . 1 . . . . . 109 LYS N . 27403 1 324 . 1 1 109 109 GLN H H 1 7.987 0.002 . 1 . . . . . 110 GLN H . 27403 1 325 . 1 1 109 109 GLN C C 13 177.182 0.012 . 1 . . . . . 110 GLN C . 27403 1 326 . 1 1 109 109 GLN CA C 13 56.472 0.035 . 1 . . . . . 110 GLN CA . 27403 1 327 . 1 1 109 109 GLN CB C 13 27.833 0.027 . 1 . . . . . 110 GLN CB . 27403 1 328 . 1 1 109 109 GLN N N 15 119.510 0.036 . 1 . . . . . 110 GLN N . 27403 1 329 . 1 1 110 110 LEU H H 1 7.926 0.002 . 1 . . . . . 111 LEU H . 27403 1 330 . 1 1 110 110 LEU C C 13 178.067 0.025 . 1 . . . . . 111 LEU C . 27403 1 331 . 1 1 110 110 LEU CA C 13 55.813 0.011 . 1 . . . . . 111 LEU CA . 27403 1 332 . 1 1 110 110 LEU CB C 13 41.022 0.094 . 1 . . . . . 111 LEU CB . 27403 1 333 . 1 1 110 110 LEU N N 15 122.138 0.048 . 1 . . . . . 111 LEU N . 27403 1 334 . 1 1 111 111 GLN H H 1 8.066 0.004 . 1 . . . . . 112 GLN H . 27403 1 335 . 1 1 111 111 GLN C C 13 176.983 0.001 . 1 . . . . . 112 GLN C . 27403 1 336 . 1 1 111 111 GLN CA C 13 56.389 0.047 . 1 . . . . . 112 GLN CA . 27403 1 337 . 1 1 111 111 GLN CB C 13 28.039 0.105 . 1 . . . . . 112 GLN CB . 27403 1 338 . 1 1 111 111 GLN N N 15 120.004 0.044 . 1 . . . . . 112 GLN N . 27403 1 339 . 1 1 112 112 GLN H H 1 8.121 0.003 . 1 . . . . . 113 GLN H . 27403 1 340 . 1 1 112 112 GLN C C 13 176.422 0.000 . 1 . . . . . 113 GLN C . 27403 1 341 . 1 1 112 112 GLN CA C 13 56.152 0.020 . 1 . . . . . 113 GLN CA . 27403 1 342 . 1 1 112 112 GLN CB C 13 28.329 0.135 . 1 . . . . . 113 GLN CB . 27403 1 343 . 1 1 112 112 GLN N N 15 120.479 0.060 . 1 . . . . . 113 GLN N . 27403 1 344 . 1 1 113 113 ALA H H 1 8.088 0.003 . 1 . . . . . 114 ALA H . 27403 1 345 . 1 1 113 113 ALA C C 13 178.212 0.005 . 1 . . . . . 114 ALA C . 27403 1 346 . 1 1 113 113 ALA CA C 13 52.675 0.016 . 1 . . . . . 114 ALA CA . 27403 1 347 . 1 1 113 113 ALA CB C 13 18.090 0.121 . 1 . . . . . 114 ALA CB . 27403 1 348 . 1 1 113 113 ALA N N 15 124.371 0.067 . 1 . . . . . 114 ALA N . 27403 1 349 . 1 1 114 114 GLN H H 1 8.132 0.004 . 1 . . . . . 115 GLN H . 27403 1 350 . 1 1 114 114 GLN C C 13 176.322 0.037 . 1 . . . . . 115 GLN C . 27403 1 351 . 1 1 114 114 GLN CA C 13 55.658 0.076 . 1 . . . . . 115 GLN CA . 27403 1 352 . 1 1 114 114 GLN CB C 13 28.299 0.019 . 1 . . . . . 115 GLN CB . 27403 1 353 . 1 1 114 114 GLN N N 15 119.044 0.049 . 1 . . . . . 115 GLN N . 27403 1 354 . 1 1 115 115 ALA H H 1 8.094 0.004 . 1 . . . . . 116 ALA H . 27403 1 355 . 1 1 115 115 ALA C C 13 177.704 0.036 . 1 . . . . . 116 ALA C . 27403 1 356 . 1 1 115 115 ALA CA C 13 52.246 0.012 . 1 . . . . . 116 ALA CA . 27403 1 357 . 1 1 115 115 ALA CB C 13 18.212 0.079 . 1 . . . . . 116 ALA CB . 27403 1 358 . 1 1 115 115 ALA N N 15 124.921 0.105 . 1 . . . . . 116 ALA N . 27403 1 359 . 1 1 116 116 ALA H H 1 8.101 0.002 . 1 . . . . . 117 ALA H . 27403 1 360 . 1 1 116 116 ALA C C 13 178.405 0.000 . 1 . . . . . 117 ALA C . 27403 1 361 . 1 1 116 116 ALA CA C 13 52.233 0.002 . 1 . . . . . 117 ALA CA . 27403 1 362 . 1 1 116 116 ALA CB C 13 18.280 0.125 . 1 . . . . . 117 ALA CB . 27403 1 363 . 1 1 116 116 ALA N N 15 123.042 0.062 . 1 . . . . . 117 ALA N . 27403 1 364 . 1 1 117 117 GLY H H 1 8.216 0.003 . 1 . . . . . 118 GLY H . 27403 1 365 . 1 1 117 117 GLY C C 13 174.254 0.018 . 1 . . . . . 118 GLY C . 27403 1 366 . 1 1 117 117 GLY CA C 13 45.047 0.104 . 1 . . . . . 118 GLY CA . 27403 1 367 . 1 1 117 117 GLY N N 15 108.809 0.075 . 1 . . . . . 118 GLY N . 27403 1 368 . 1 1 118 118 ALA H H 1 8.003 0.003 . 1 . . . . . 119 ALA H . 27403 1 369 . 1 1 118 118 ALA C C 13 178.052 0.000 . 1 . . . . . 119 ALA C . 27403 1 370 . 1 1 118 118 ALA CA C 13 52.165 0.010 . 1 . . . . . 119 ALA CA . 27403 1 371 . 1 1 118 118 ALA CB C 13 18.354 0.017 . 1 . . . . . 119 ALA CB . 27403 1 372 . 1 1 118 118 ALA N N 15 123.971 0.026 . 1 . . . . . 119 ALA N . 27403 1 373 . 1 1 119 119 GLU H H 1 8.417 0.003 . 1 . . . . . 120 GLU H . 27403 1 374 . 1 1 119 119 GLU C C 13 176.914 0.011 . 1 . . . . . 120 GLU C . 27403 1 375 . 1 1 119 119 GLU CA C 13 56.792 0.056 . 1 . . . . . 120 GLU CA . 27403 1 376 . 1 1 119 119 GLU CB C 13 28.991 0.039 . 1 . . . . . 120 GLU CB . 27403 1 377 . 1 1 119 119 GLU N N 15 120.234 0.041 . 1 . . . . . 120 GLU N . 27403 1 378 . 1 1 120 120 GLN H H 1 8.234 0.001 . 1 . . . . . 121 GLN H . 27403 1 379 . 1 1 120 120 GLN C C 13 176.367 0.019 . 1 . . . . . 121 GLN C . 27403 1 380 . 1 1 120 120 GLN CA C 13 55.756 0.019 . 1 . . . . . 121 GLN CA . 27403 1 381 . 1 1 120 120 GLN CB C 13 28.490 0.008 . 1 . . . . . 121 GLN CB . 27403 1 382 . 1 1 120 120 GLN N N 15 120.631 0.035 . 1 . . . . . 121 GLN N . 27403 1 383 . 1 1 121 121 GLU H H 1 8.247 0.003 . 1 . . . . . 122 GLU H . 27403 1 384 . 1 1 121 121 GLU C C 13 176.905 0.000 . 1 . . . . . 122 GLU C . 27403 1 385 . 1 1 121 121 GLU CA C 13 56.495 0.024 . 1 . . . . . 122 GLU CA . 27403 1 386 . 1 1 121 121 GLU CB C 13 29.049 0.097 . 1 . . . . . 122 GLU CB . 27403 1 387 . 1 1 121 121 GLU N N 15 122.303 0.027 . 1 . . . . . 122 GLU N . 27403 1 388 . 1 1 122 122 VAL H H 1 7.999 0.002 . 1 . . . . . 123 VAL H . 27403 1 389 . 1 1 122 122 VAL C C 13 176.843 0.022 . 1 . . . . . 123 VAL C . 27403 1 390 . 1 1 122 122 VAL CA C 13 62.747 0.033 . 1 . . . . . 123 VAL CA . 27403 1 391 . 1 1 122 122 VAL CB C 13 31.504 0.063 . 1 . . . . . 123 VAL CB . 27403 1 392 . 1 1 122 122 VAL N N 15 120.903 0.033 . 1 . . . . . 123 VAL N . 27403 1 393 . 1 1 123 123 GLU H H 1 8.280 0.003 . 1 . . . . . 124 GLU H . 27403 1 394 . 1 1 123 123 GLU C C 13 177.316 0.000 . 1 . . . . . 124 GLU C . 27403 1 395 . 1 1 123 123 GLU CA C 13 56.817 0.000 . 1 . . . . . 124 GLU CA . 27403 1 396 . 1 1 123 123 GLU CB C 13 28.959 0.000 . 1 . . . . . 124 GLU CB . 27403 1 397 . 1 1 123 123 GLU N N 15 123.741 0.032 . 1 . . . . . 124 GLU N . 27403 1 398 . 1 1 134 134 LYS C C 13 177.594 0.003 . 1 . . . . . 135 LYS C . 27403 1 399 . 1 1 134 134 LYS CA C 13 59.370 0.000 . 1 . . . . . 135 LYS CA . 27403 1 400 . 1 1 134 134 LYS CB C 13 31.543 0.022 . 1 . . . . . 135 LYS CB . 27403 1 401 . 1 1 135 135 GLN H H 1 7.797 0.004 . 1 . . . . . 136 GLN H . 27403 1 402 . 1 1 135 135 GLN C C 13 178.347 0.021 . 1 . . . . . 136 GLN C . 27403 1 403 . 1 1 135 135 GLN CA C 13 59.009 0.000 . 1 . . . . . 136 GLN CA . 27403 1 404 . 1 1 135 135 GLN CB C 13 26.704 0.051 . 1 . . . . . 136 GLN CB . 27403 1 405 . 1 1 135 135 GLN N N 15 117.792 0.037 . 1 . . . . . 136 GLN N . 27403 1 406 . 1 1 136 136 HIS H H 1 7.398 0.005 . 1 . . . . . 137 HIS H . 27403 1 407 . 1 1 136 136 HIS C C 13 178.989 0.000 . 1 . . . . . 137 HIS C . 27403 1 408 . 1 1 136 136 HIS CA C 13 60.409 0.064 . 1 . . . . . 137 HIS CA . 27403 1 409 . 1 1 136 136 HIS CB C 13 31.239 0.000 . 1 . . . . . 137 HIS CB . 27403 1 410 . 1 1 136 136 HIS N N 15 118.058 0.052 . 1 . . . . . 137 HIS N . 27403 1 411 . 1 1 137 137 ASN H H 1 7.704 0.011 . 1 . . . . . 138 ASN H . 27403 1 412 . 1 1 137 137 ASN C C 13 177.093 0.026 . 1 . . . . . 138 ASN C . 27403 1 413 . 1 1 137 137 ASN CA C 13 56.569 0.001 . 1 . . . . . 138 ASN CA . 27403 1 414 . 1 1 137 137 ASN CB C 13 38.313 0.134 . 1 . . . . . 138 ASN CB . 27403 1 415 . 1 1 137 137 ASN N N 15 117.371 0.100 . 1 . . . . . 138 ASN N . 27403 1 416 . 1 1 138 138 ASP H H 1 9.045 0.005 . 1 . . . . . 139 ASP H . 27403 1 417 . 1 1 138 138 ASP C C 13 180.263 0.007 . 1 . . . . . 139 ASP C . 27403 1 418 . 1 1 138 138 ASP CA C 13 57.213 0.028 . 1 . . . . . 139 ASP CA . 27403 1 419 . 1 1 138 138 ASP CB C 13 39.092 0.099 . 1 . . . . . 139 ASP CB . 27403 1 420 . 1 1 138 138 ASP N N 15 120.940 0.066 . 1 . . . . . 139 ASP N . 27403 1 421 . 1 1 139 139 GLU H H 1 8.630 0.005 . 1 . . . . . 140 GLU H . 27403 1 422 . 1 1 139 139 GLU C C 13 178.761 0.000 . 1 . . . . . 140 GLU C . 27403 1 423 . 1 1 139 139 GLU CA C 13 59.250 0.053 . 1 . . . . . 140 GLU CA . 27403 1 424 . 1 1 139 139 GLU CB C 13 29.184 0.095 . 1 . . . . . 140 GLU CB . 27403 1 425 . 1 1 139 139 GLU N N 15 120.627 0.063 . 1 . . . . . 140 GLU N . 27403 1 426 . 1 1 140 140 CYS H H 1 8.102 0.009 . 1 . . . . . 141 CYS H . 27403 1 427 . 1 1 140 140 CYS C C 13 176.351 0.024 . 1 . . . . . 141 CYS C . 27403 1 428 . 1 1 140 140 CYS CA C 13 65.079 0.070 . 1 . . . . . 141 CYS CA . 27403 1 429 . 1 1 140 140 CYS CB C 13 26.946 0.052 . 1 . . . . . 141 CYS CB . 27403 1 430 . 1 1 140 140 CYS N N 15 117.205 0.071 . 1 . . . . . 141 CYS N . 27403 1 431 . 1 1 141 141 LYS H H 1 8.305 0.004 . 1 . . . . . 142 LYS H . 27403 1 432 . 1 1 141 141 LYS C C 13 177.615 0.025 . 1 . . . . . 142 LYS C . 27403 1 433 . 1 1 141 141 LYS CA C 13 60.257 0.055 . 1 . . . . . 142 LYS CA . 27403 1 434 . 1 1 141 141 LYS CB C 13 31.441 0.079 . 1 . . . . . 142 LYS CB . 27403 1 435 . 1 1 141 141 LYS N N 15 120.480 0.075 . 1 . . . . . 142 LYS N . 27403 1 436 . 1 1 142 142 HIS H H 1 7.633 0.003 . 1 . . . . . 143 HIS H . 27403 1 437 . 1 1 142 142 HIS C C 13 177.411 0.000 . 1 . . . . . 143 HIS C . 27403 1 438 . 1 1 142 142 HIS CA C 13 58.522 0.073 . 1 . . . . . 143 HIS CA . 27403 1 439 . 1 1 142 142 HIS CB C 13 29.453 0.022 . 1 . . . . . 143 HIS CB . 27403 1 440 . 1 1 142 142 HIS N N 15 119.385 0.068 . 1 . . . . . 143 HIS N . 27403 1 441 . 1 1 143 143 LEU H H 1 7.937 0.005 . 1 . . . . . 144 LEU H . 27403 1 442 . 1 1 143 143 LEU C C 13 178.220 0.000 . 1 . . . . . 144 LEU C . 27403 1 443 . 1 1 143 143 LEU CA C 13 58.081 0.025 . 1 . . . . . 144 LEU CA . 27403 1 444 . 1 1 143 143 LEU CB C 13 41.071 0.000 . 1 . . . . . 144 LEU CB . 27403 1 445 . 1 1 143 143 LEU N N 15 118.479 0.058 . 1 . . . . . 144 LEU N . 27403 1 446 . 1 1 144 144 LEU H H 1 8.455 0.001 . 1 . . . . . 145 LEU H . 27403 1 447 . 1 1 144 144 LEU C C 13 179.602 0.000 . 1 . . . . . 145 LEU C . 27403 1 448 . 1 1 144 144 LEU CA C 13 58.011 0.022 . 1 . . . . . 145 LEU CA . 27403 1 449 . 1 1 144 144 LEU CB C 13 39.474 0.066 . 1 . . . . . 145 LEU CB . 27403 1 450 . 1 1 144 144 LEU N N 15 118.515 0.063 . 1 . . . . . 145 LEU N . 27403 1 451 . 1 1 145 145 SER H H 1 8.334 0.003 . 1 . . . . . 146 SER H . 27403 1 452 . 1 1 145 145 SER C C 13 178.499 0.000 . 1 . . . . . 146 SER C . 27403 1 453 . 1 1 145 145 SER CA C 13 61.307 0.049 . 1 . . . . . 146 SER CA . 27403 1 454 . 1 1 145 145 SER CB C 13 62.269 0.022 . 1 . . . . . 146 SER CB . 27403 1 455 . 1 1 145 145 SER N N 15 115.160 0.061 . 1 . . . . . 146 SER N . 27403 1 456 . 1 1 146 146 LEU H H 1 7.791 0.005 . 1 . . . . . 147 LEU H . 27403 1 457 . 1 1 146 146 LEU C C 13 178.086 0.000 . 1 . . . . . 147 LEU C . 27403 1 458 . 1 1 146 146 LEU CA C 13 57.065 0.077 . 1 . . . . . 147 LEU CA . 27403 1 459 . 1 1 146 146 LEU CB C 13 41.304 0.071 . 1 . . . . . 147 LEU CB . 27403 1 460 . 1 1 146 146 LEU N N 15 122.750 0.085 . 1 . . . . . 147 LEU N . 27403 1 461 . 1 1 147 147 MET H H 1 8.154 0.006 . 1 . . . . . 148 MET H . 27403 1 462 . 1 1 147 147 MET C C 13 173.976 0.009 . 1 . . . . . 148 MET C . 27403 1 463 . 1 1 147 147 MET CA C 13 57.416 0.046 . 1 . . . . . 148 MET CA . 27403 1 464 . 1 1 147 147 MET CB C 13 34.993 0.069 . 1 . . . . . 148 MET CB . 27403 1 465 . 1 1 147 147 MET N N 15 116.383 0.030 . 1 . . . . . 148 MET N . 27403 1 466 . 1 1 148 148 GLY H H 1 7.541 0.003 . 1 . . . . . 149 GLY H . 27403 1 467 . 1 1 148 148 GLY C C 13 173.979 0.003 . 1 . . . . . 149 GLY C . 27403 1 468 . 1 1 148 148 GLY CA C 13 45.365 0.073 . 1 . . . . . 149 GLY CA . 27403 1 469 . 1 1 148 148 GLY N N 15 106.173 0.065 . 1 . . . . . 149 GLY N . 27403 1 470 . 1 1 149 149 ILE H H 1 7.977 0.004 . 1 . . . . . 150 ILE H . 27403 1 471 . 1 1 149 149 ILE CA C 13 54.158 0.000 . 1 . . . . . 150 ILE CA . 27403 1 472 . 1 1 149 149 ILE CB C 13 37.399 0.000 . 1 . . . . . 150 ILE CB . 27403 1 473 . 1 1 149 149 ILE N N 15 122.170 0.058 . 1 . . . . . 150 ILE N . 27403 1 474 . 1 1 150 150 PRO C C 13 175.381 0.045 . 1 . . . . . 151 PRO C . 27403 1 475 . 1 1 150 150 PRO CA C 13 62.176 0.023 . 1 . . . . . 151 PRO CA . 27403 1 476 . 1 1 150 150 PRO CB C 13 31.494 0.043 . 1 . . . . . 151 PRO CB . 27403 1 477 . 1 1 151 151 TYR H H 1 7.336 0.004 . 1 . . . . . 152 TYR H . 27403 1 478 . 1 1 151 151 TYR C C 13 173.913 0.024 . 1 . . . . . 152 TYR C . 27403 1 479 . 1 1 151 151 TYR CA C 13 54.558 0.046 . 1 . . . . . 152 TYR CA . 27403 1 480 . 1 1 151 151 TYR CB C 13 41.625 0.093 . 1 . . . . . 152 TYR CB . 27403 1 481 . 1 1 151 151 TYR N N 15 112.835 0.039 . 1 . . . . . 152 TYR N . 27403 1 482 . 1 1 152 152 LEU H H 1 9.094 0.005 . 1 . . . . . 153 LEU H . 27403 1 483 . 1 1 152 152 LEU C C 13 175.192 0.010 . 1 . . . . . 153 LEU C . 27403 1 484 . 1 1 152 152 LEU CA C 13 52.461 0.016 . 1 . . . . . 153 LEU CA . 27403 1 485 . 1 1 152 152 LEU CB C 13 46.022 0.053 . 1 . . . . . 153 LEU CB . 27403 1 486 . 1 1 152 152 LEU N N 15 119.364 0.105 . 1 . . . . . 153 LEU N . 27403 1 487 . 1 1 153 153 ASP H H 1 8.741 0.004 . 1 . . . . . 154 ASP H . 27403 1 488 . 1 1 153 153 ASP C C 13 174.938 0.020 . 1 . . . . . 154 ASP C . 27403 1 489 . 1 1 153 153 ASP CA C 13 53.622 0.044 . 1 . . . . . 154 ASP CA . 27403 1 490 . 1 1 153 153 ASP CB C 13 41.074 0.051 . 1 . . . . . 154 ASP CB . 27403 1 491 . 1 1 153 153 ASP N N 15 122.996 0.043 . 1 . . . . . 154 ASP N . 27403 1 492 . 1 1 154 154 ALA H H 1 8.879 0.003 . 1 . . . . . 155 ALA H . 27403 1 493 . 1 1 154 154 ALA C C 13 175.697 0.000 . 1 . . . . . 155 ALA C . 27403 1 494 . 1 1 154 154 ALA CA C 13 49.554 0.000 . 1 . . . . . 155 ALA CA . 27403 1 495 . 1 1 154 154 ALA CB C 13 16.983 0.000 . 1 . . . . . 155 ALA CB . 27403 1 496 . 1 1 154 154 ALA N N 15 127.117 0.054 . 1 . . . . . 155 ALA N . 27403 1 497 . 1 1 155 155 PRO C C 13 178.238 0.000 . 1 . . . . . 156 PRO C . 27403 1 498 . 1 1 155 155 PRO CA C 13 63.305 0.000 . 1 . . . . . 156 PRO CA . 27403 1 499 . 1 1 155 155 PRO CB C 13 29.984 0.000 . 1 . . . . . 156 PRO CB . 27403 1 500 . 1 1 156 156 SER H H 1 6.391 0.002 . 1 . . . . . 157 SER H . 27403 1 501 . 1 1 156 156 SER C C 13 173.756 0.000 . 1 . . . . . 157 SER C . 27403 1 502 . 1 1 156 156 SER CA C 13 55.809 0.014 . 1 . . . . . 157 SER CA . 27403 1 503 . 1 1 156 156 SER CB C 13 61.603 0.116 . 1 . . . . . 157 SER CB . 27403 1 504 . 1 1 156 156 SER N N 15 113.519 0.043 . 1 . . . . . 157 SER N . 27403 1 505 . 1 1 157 157 GLU H H 1 8.607 0.003 . 1 . . . . . 158 GLU H . 27403 1 506 . 1 1 157 157 GLU C C 13 179.963 0.000 . 1 . . . . . 158 GLU C . 27403 1 507 . 1 1 157 157 GLU CA C 13 56.765 0.097 . 1 . . . . . 158 GLU CA . 27403 1 508 . 1 1 157 157 GLU CB C 13 28.146 0.055 . 1 . . . . . 158 GLU CB . 27403 1 509 . 1 1 157 157 GLU N N 15 124.059 0.043 . 1 . . . . . 158 GLU N . 27403 1 510 . 1 1 158 158 ALA H H 1 10.522 0.007 . 1 . . . . . 159 ALA H . 27403 1 511 . 1 1 158 158 ALA C C 13 181.022 0.000 . 1 . . . . . 159 ALA C . 27403 1 512 . 1 1 158 158 ALA CA C 13 55.855 0.000 . 1 . . . . . 159 ALA CA . 27403 1 513 . 1 1 158 158 ALA CB C 13 17.748 0.000 . 1 . . . . . 159 ALA CB . 27403 1 514 . 1 1 158 158 ALA N N 15 134.143 0.065 . 1 . . . . . 159 ALA N . 27403 1 515 . 1 1 160 160 ALA C C 13 180.163 0.036 . 1 . . . . . 161 ALA C . 27403 1 516 . 1 1 160 160 ALA CA C 13 54.523 0.035 . 1 . . . . . 161 ALA CA . 27403 1 517 . 1 1 160 160 ALA CB C 13 17.218 0.000 . 1 . . . . . 161 ALA CB . 27403 1 518 . 1 1 161 161 SER H H 1 7.007 0.006 . 1 . . . . . 162 SER H . 27403 1 519 . 1 1 161 161 SER C C 13 175.799 0.000 . 1 . . . . . 162 SER C . 27403 1 520 . 1 1 161 161 SER CA C 13 64.470 0.078 . 1 . . . . . 162 SER CA . 27403 1 521 . 1 1 161 161 SER CB C 13 63.347 0.014 . 1 . . . . . 162 SER CB . 27403 1 522 . 1 1 161 161 SER N N 15 115.744 0.096 . 1 . . . . . 162 SER N . 27403 1 523 . 1 1 162 162 CYS H H 1 8.756 0.005 . 1 . . . . . 163 CYS H . 27403 1 524 . 1 1 162 162 CYS C C 13 175.925 0.017 . 1 . . . . . 163 CYS C . 27403 1 525 . 1 1 162 162 CYS CA C 13 64.540 0.066 . 1 . . . . . 163 CYS CA . 27403 1 526 . 1 1 162 162 CYS CB C 13 25.653 0.087 . 1 . . . . . 163 CYS CB . 27403 1 527 . 1 1 162 162 CYS N N 15 120.924 0.039 . 1 . . . . . 163 CYS N . 27403 1 528 . 1 1 163 163 ALA H H 1 7.401 0.003 . 1 . . . . . 164 ALA H . 27403 1 529 . 1 1 163 163 ALA C C 13 178.649 0.024 . 1 . . . . . 164 ALA C . 27403 1 530 . 1 1 163 163 ALA CA C 13 54.855 0.021 . 1 . . . . . 164 ALA CA . 27403 1 531 . 1 1 163 163 ALA CB C 13 17.863 0.069 . 1 . . . . . 164 ALA CB . 27403 1 532 . 1 1 163 163 ALA N N 15 119.303 0.039 . 1 . . . . . 164 ALA N . 27403 1 533 . 1 1 164 164 ALA H H 1 7.705 0.005 . 1 . . . . . 165 ALA H . 27403 1 534 . 1 1 164 164 ALA C C 13 180.260 0.027 . 1 . . . . . 165 ALA C . 27403 1 535 . 1 1 164 164 ALA CA C 13 54.827 0.000 . 1 . . . . . 165 ALA CA . 27403 1 536 . 1 1 164 164 ALA CB C 13 16.502 0.186 . 1 . . . . . 165 ALA CB . 27403 1 537 . 1 1 164 164 ALA N N 15 120.250 0.074 . 1 . . . . . 165 ALA N . 27403 1 538 . 1 1 165 165 LEU H H 1 7.539 0.010 . 1 . . . . . 166 LEU H . 27403 1 539 . 1 1 165 165 LEU C C 13 178.325 0.000 . 1 . . . . . 166 LEU C . 27403 1 540 . 1 1 165 165 LEU CA C 13 57.898 0.077 . 1 . . . . . 166 LEU CA . 27403 1 541 . 1 1 165 165 LEU CB C 13 41.653 0.032 . 1 . . . . . 166 LEU CB . 27403 1 542 . 1 1 165 165 LEU N N 15 117.732 0.043 . 1 . . . . . 166 LEU N . 27403 1 543 . 1 1 166 166 VAL H H 1 7.338 0.006 . 1 . . . . . 167 VAL H . 27403 1 544 . 1 1 166 166 VAL C C 13 180.992 0.020 . 1 . . . . . 167 VAL C . 27403 1 545 . 1 1 166 166 VAL CA C 13 64.953 0.024 . 1 . . . . . 167 VAL CA . 27403 1 546 . 1 1 166 166 VAL CB C 13 30.746 0.065 . 1 . . . . . 167 VAL CB . 27403 1 547 . 1 1 166 166 VAL N N 15 121.767 0.056 . 1 . . . . . 167 VAL N . 27403 1 548 . 1 1 167 167 LYS H H 1 8.626 0.003 . 1 . . . . . 168 LYS H . 27403 1 549 . 1 1 167 167 LYS C C 13 178.653 0.041 . 1 . . . . . 168 LYS C . 27403 1 550 . 1 1 167 167 LYS CA C 13 59.419 0.074 . 1 . . . . . 168 LYS CA . 27403 1 551 . 1 1 167 167 LYS CB C 13 32.205 0.000 . 1 . . . . . 168 LYS CB . 27403 1 552 . 1 1 167 167 LYS N N 15 123.491 0.067 . 1 . . . . . 168 LYS N . 27403 1 553 . 1 1 168 168 ALA H H 1 7.413 0.004 . 1 . . . . . 169 ALA H . 27403 1 554 . 1 1 168 168 ALA C C 13 177.502 0.057 . 1 . . . . . 169 ALA C . 27403 1 555 . 1 1 168 168 ALA CA C 13 51.423 0.032 . 1 . . . . . 169 ALA CA . 27403 1 556 . 1 1 168 168 ALA CB C 13 19.310 0.066 . 1 . . . . . 169 ALA CB . 27403 1 557 . 1 1 168 168 ALA N N 15 116.564 0.078 . 1 . . . . . 169 ALA N . 27403 1 558 . 1 1 169 169 GLY H H 1 8.056 0.007 . 1 . . . . . 170 GLY H . 27403 1 559 . 1 1 169 169 GLY C C 13 175.130 0.030 . 1 . . . . . 170 GLY C . 27403 1 560 . 1 1 169 169 GLY CA C 13 45.476 0.080 . 1 . . . . . 170 GLY CA . 27403 1 561 . 1 1 169 169 GLY N N 15 107.611 0.115 . 1 . . . . . 170 GLY N . 27403 1 562 . 1 1 170 170 LYS H H 1 8.037 0.002 . 1 . . . . . 171 LYS H . 27403 1 563 . 1 1 170 170 LYS C C 13 176.573 0.000 . 1 . . . . . 171 LYS C . 27403 1 564 . 1 1 170 170 LYS CA C 13 55.474 0.015 . 1 . . . . . 171 LYS CA . 27403 1 565 . 1 1 170 170 LYS CB C 13 31.731 0.066 . 1 . . . . . 171 LYS CB . 27403 1 566 . 1 1 170 170 LYS N N 15 116.384 0.048 . 1 . . . . . 171 LYS N . 27403 1 567 . 1 1 171 171 VAL H H 1 6.940 0.004 . 1 . . . . . 172 VAL H . 27403 1 568 . 1 1 171 171 VAL C C 13 173.805 0.056 . 1 . . . . . 172 VAL C . 27403 1 569 . 1 1 171 171 VAL CA C 13 57.786 0.001 . 1 . . . . . 172 VAL CA . 27403 1 570 . 1 1 171 171 VAL CB C 13 33.340 0.113 . 1 . . . . . 172 VAL CB . 27403 1 571 . 1 1 171 171 VAL N N 15 104.546 0.047 . 1 . . . . . 172 VAL N . 27403 1 572 . 1 1 172 172 TYR H H 1 8.615 0.005 . 1 . . . . . 173 TYR H . 27403 1 573 . 1 1 172 172 TYR C C 13 173.534 0.000 . 1 . . . . . 173 TYR C . 27403 1 574 . 1 1 172 172 TYR CA C 13 58.720 0.003 . 1 . . . . . 173 TYR CA . 27403 1 575 . 1 1 172 172 TYR CB C 13 39.365 0.020 . 1 . . . . . 173 TYR CB . 27403 1 576 . 1 1 172 172 TYR N N 15 120.631 0.046 . 1 . . . . . 173 TYR N . 27403 1 577 . 1 1 173 173 ALA H H 1 6.742 0.003 . 1 . . . . . 174 ALA H . 27403 1 578 . 1 1 173 173 ALA C C 13 174.605 0.034 . 1 . . . . . 174 ALA C . 27403 1 579 . 1 1 173 173 ALA CA C 13 50.180 0.014 . 1 . . . . . 174 ALA CA . 27403 1 580 . 1 1 173 173 ALA CB C 13 24.038 0.012 . 1 . . . . . 174 ALA CB . 27403 1 581 . 1 1 173 173 ALA N N 15 110.296 0.035 . 1 . . . . . 174 ALA N . 27403 1 582 . 1 1 174 174 ALA H H 1 6.954 0.004 . 1 . . . . . 175 ALA H . 27403 1 583 . 1 1 174 174 ALA C C 13 175.341 0.023 . 1 . . . . . 175 ALA C . 27403 1 584 . 1 1 174 174 ALA CA C 13 49.209 0.025 . 1 . . . . . 175 ALA CA . 27403 1 585 . 1 1 174 174 ALA CB C 13 21.136 0.025 . 1 . . . . . 175 ALA CB . 27403 1 586 . 1 1 174 174 ALA N N 15 121.680 0.032 . 1 . . . . . 175 ALA N . 27403 1 587 . 1 1 175 175 ALA H H 1 8.988 0.003 . 1 . . . . . 176 ALA H . 27403 1 588 . 1 1 175 175 ALA C C 13 174.914 0.000 . 1 . . . . . 176 ALA C . 27403 1 589 . 1 1 175 175 ALA CA C 13 50.382 0.043 . 1 . . . . . 176 ALA CA . 27403 1 590 . 1 1 175 175 ALA CB C 13 20.699 0.000 . 1 . . . . . 176 ALA CB . 27403 1 591 . 1 1 175 175 ALA N N 15 126.369 0.088 . 1 . . . . . 176 ALA N . 27403 1 592 . 1 1 176 176 THR H H 1 7.551 0.004 . 1 . . . . . 177 THR H . 27403 1 593 . 1 1 176 176 THR CA C 13 58.812 0.000 . 1 . . . . . 177 THR CA . 27403 1 594 . 1 1 176 176 THR CB C 13 67.697 0.000 . 1 . . . . . 177 THR CB . 27403 1 595 . 1 1 176 176 THR N N 15 116.501 0.085 . 1 . . . . . 177 THR N . 27403 1 596 . 1 1 183 183 THR C C 13 175.997 0.000 . 1 . . . . . 184 THR C . 27403 1 597 . 1 1 184 184 PHE H H 1 7.759 0.003 . 1 . . . . . 185 PHE H . 27403 1 598 . 1 1 184 184 PHE C C 13 175.036 0.000 . 1 . . . . . 185 PHE C . 27403 1 599 . 1 1 184 184 PHE CA C 13 59.722 0.108 . 1 . . . . . 185 PHE CA . 27403 1 600 . 1 1 184 184 PHE CB C 13 39.762 0.062 . 1 . . . . . 185 PHE CB . 27403 1 601 . 1 1 184 184 PHE N N 15 114.895 0.062 . 1 . . . . . 185 PHE N . 27403 1 602 . 1 1 185 185 GLY H H 1 7.757 0.009 . 1 . . . . . 186 GLY H . 27403 1 603 . 1 1 185 185 GLY C C 13 174.841 0.010 . 1 . . . . . 186 GLY C . 27403 1 604 . 1 1 185 185 GLY CA C 13 44.874 0.075 . 1 . . . . . 186 GLY CA . 27403 1 605 . 1 1 185 185 GLY N N 15 106.596 0.099 . 1 . . . . . 186 GLY N . 27403 1 606 . 1 1 186 186 SER H H 1 8.260 0.003 . 1 . . . . . 187 SER H . 27403 1 607 . 1 1 186 186 SER C C 13 174.572 0.000 . 1 . . . . . 187 SER C . 27403 1 608 . 1 1 186 186 SER CA C 13 58.570 0.069 . 1 . . . . . 187 SER CA . 27403 1 609 . 1 1 186 186 SER CB C 13 64.089 0.073 . 1 . . . . . 187 SER CB . 27403 1 610 . 1 1 186 186 SER N N 15 116.163 0.048 . 1 . . . . . 187 SER N . 27403 1 611 . 1 1 187 187 ALA H H 1 7.737 0.006 . 1 . . . . . 188 ALA H . 27403 1 612 . 1 1 187 187 ALA C C 13 174.568 0.000 . 1 . . . . . 188 ALA C . 27403 1 613 . 1 1 187 187 ALA CA C 13 54.607 0.009 . 1 . . . . . 188 ALA CA . 27403 1 614 . 1 1 187 187 ALA CB C 13 18.770 0.021 . 1 . . . . . 188 ALA CB . 27403 1 615 . 1 1 187 187 ALA N N 15 127.807 0.087 . 1 . . . . . 188 ALA N . 27403 1 616 . 1 1 188 188 VAL H H 1 6.589 0.004 . 1 . . . . . 189 VAL H . 27403 1 617 . 1 1 188 188 VAL C C 13 175.255 0.024 . 1 . . . . . 189 VAL C . 27403 1 618 . 1 1 188 188 VAL CA C 13 60.063 0.006 . 1 . . . . . 189 VAL CA . 27403 1 619 . 1 1 188 188 VAL CB C 13 34.439 0.134 . 1 . . . . . 189 VAL CB . 27403 1 620 . 1 1 188 188 VAL N N 15 111.856 0.041 . 1 . . . . . 189 VAL N . 27403 1 621 . 1 1 189 189 LEU H H 1 8.440 0.005 . 1 . . . . . 190 LEU H . 27403 1 622 . 1 1 189 189 LEU C C 13 175.018 0.021 . 1 . . . . . 190 LEU C . 27403 1 623 . 1 1 189 189 LEU CA C 13 52.749 0.013 . 1 . . . . . 190 LEU CA . 27403 1 624 . 1 1 189 189 LEU CB C 13 46.015 0.046 . 1 . . . . . 190 LEU CB . 27403 1 625 . 1 1 189 189 LEU N N 15 131.627 0.050 . 1 . . . . . 190 LEU N . 27403 1 626 . 1 1 190 190 MET H H 1 9.339 0.004 . 1 . . . . . 191 MET H . 27403 1 627 . 1 1 190 190 MET C C 13 174.361 0.016 . 1 . . . . . 191 MET C . 27403 1 628 . 1 1 190 190 MET CA C 13 54.010 0.028 . 1 . . . . . 191 MET CA . 27403 1 629 . 1 1 190 190 MET CB C 13 36.247 0.123 . 1 . . . . . 191 MET CB . 27403 1 630 . 1 1 190 190 MET N N 15 125.227 0.063 . 1 . . . . . 191 MET N . 27403 1 631 . 1 1 191 191 ARG H H 1 9.385 0.005 . 1 . . . . . 192 ARG H . 27403 1 632 . 1 1 191 191 ARG C C 13 175.510 0.000 . 1 . . . . . 192 ARG C . 27403 1 633 . 1 1 191 191 ARG CA C 13 55.160 0.000 . 1 . . . . . 192 ARG CA . 27403 1 634 . 1 1 191 191 ARG CB C 13 31.592 0.000 . 1 . . . . . 192 ARG CB . 27403 1 635 . 1 1 191 191 ARG N N 15 123.980 0.068 . 1 . . . . . 192 ARG N . 27403 1 636 . 1 1 192 192 HIS H H 1 9.203 0.009 . 1 . . . . . 193 HIS H . 27403 1 637 . 1 1 192 192 HIS C C 13 177.507 0.000 . 1 . . . . . 193 HIS C . 27403 1 638 . 1 1 192 192 HIS CA C 13 55.956 0.000 . 1 . . . . . 193 HIS CA . 27403 1 639 . 1 1 192 192 HIS CB C 13 26.714 0.100 . 1 . . . . . 193 HIS CB . 27403 1 640 . 1 1 192 192 HIS N N 15 112.734 0.044 . 1 . . . . . 193 HIS N . 27403 1 641 . 1 1 193 193 LEU H H 1 9.107 0.009 . 1 . . . . . 194 LEU H . 27403 1 642 . 1 1 193 193 LEU CA C 13 57.024 0.000 . 1 . . . . . 194 LEU CA . 27403 1 643 . 1 1 193 193 LEU CB C 13 41.604 0.000 . 1 . . . . . 194 LEU CB . 27403 1 644 . 1 1 193 193 LEU N N 15 124.584 0.028 . 1 . . . . . 194 LEU N . 27403 1 645 . 1 1 194 194 THR C C 13 173.860 0.000 . 1 . . . . . 195 THR C . 27403 1 646 . 1 1 194 194 THR CA C 13 59.925 0.000 . 1 . . . . . 195 THR CA . 27403 1 647 . 1 1 194 194 THR CB C 13 67.665 0.000 . 1 . . . . . 195 THR CB . 27403 1 648 . 1 1 195 195 ALA H H 1 6.694 0.002 . 1 . . . . . 196 ALA H . 27403 1 649 . 1 1 195 195 ALA CA C 13 51.555 0.000 . 1 . . . . . 196 ALA CA . 27403 1 650 . 1 1 195 195 ALA CB C 13 18.873 0.000 . 1 . . . . . 196 ALA CB . 27403 1 651 . 1 1 195 195 ALA N N 15 124.415 0.056 . 1 . . . . . 196 ALA N . 27403 1 652 . 1 1 198 198 ALA C C 13 178.769 0.070 . 1 . . . . . 199 ALA C . 27403 1 653 . 1 1 198 198 ALA CA C 13 53.472 0.030 . 1 . . . . . 199 ALA CA . 27403 1 654 . 1 1 198 198 ALA CB C 13 17.700 0.000 . 1 . . . . . 199 ALA CB . 27403 1 655 . 1 1 199 199 LYS H H 1 7.274 0.004 . 1 . . . . . 200 LYS H . 27403 1 656 . 1 1 199 199 LYS C C 13 175.874 0.078 . 1 . . . . . 200 LYS C . 27403 1 657 . 1 1 199 199 LYS CA C 13 56.205 0.041 . 1 . . . . . 200 LYS CA . 27403 1 658 . 1 1 199 199 LYS CB C 13 31.449 0.048 . 1 . . . . . 200 LYS CB . 27403 1 659 . 1 1 199 199 LYS N N 15 115.120 0.113 . 1 . . . . . 200 LYS N . 27403 1 660 . 1 1 200 200 LYS H H 1 7.538 0.004 . 1 . . . . . 201 LYS H . 27403 1 661 . 1 1 200 200 LYS C C 13 175.870 0.008 . 1 . . . . . 201 LYS C . 27403 1 662 . 1 1 200 200 LYS CA C 13 56.231 0.016 . 1 . . . . . 201 LYS CA . 27403 1 663 . 1 1 200 200 LYS CB C 13 28.883 0.003 . 1 . . . . . 201 LYS CB . 27403 1 664 . 1 1 200 200 LYS N N 15 115.316 0.038 . 1 . . . . . 201 LYS N . 27403 1 665 . 1 1 201 201 LEU H H 1 8.440 0.002 . 1 . . . . . 202 LEU H . 27403 1 666 . 1 1 201 201 LEU CA C 13 52.027 0.000 . 1 . . . . . 202 LEU CA . 27403 1 667 . 1 1 201 201 LEU CB C 13 40.727 0.000 . 1 . . . . . 202 LEU CB . 27403 1 668 . 1 1 201 201 LEU N N 15 121.813 0.050 . 1 . . . . . 202 LEU N . 27403 1 669 . 1 1 202 202 PRO C C 13 175.416 0.008 . 1 . . . . . 203 PRO C . 27403 1 670 . 1 1 202 202 PRO CA C 13 62.001 0.002 . 1 . . . . . 203 PRO CA . 27403 1 671 . 1 1 202 202 PRO CB C 13 30.855 0.046 . 1 . . . . . 203 PRO CB . 27403 1 672 . 1 1 203 203 ILE H H 1 8.396 0.002 . 1 . . . . . 204 ILE H . 27403 1 673 . 1 1 203 203 ILE C C 13 175.988 0.026 . 1 . . . . . 204 ILE C . 27403 1 674 . 1 1 203 203 ILE CA C 13 59.434 0.032 . 1 . . . . . 204 ILE CA . 27403 1 675 . 1 1 203 203 ILE CB C 13 34.705 0.074 . 1 . . . . . 204 ILE CB . 27403 1 676 . 1 1 203 203 ILE N N 15 120.950 0.035 . 1 . . . . . 204 ILE N . 27403 1 677 . 1 1 204 204 GLN H H 1 7.787 0.004 . 1 . . . . . 205 GLN H . 27403 1 678 . 1 1 204 204 GLN C C 13 174.172 0.023 . 1 . . . . . 205 GLN C . 27403 1 679 . 1 1 204 204 GLN CA C 13 53.820 0.020 . 1 . . . . . 205 GLN CA . 27403 1 680 . 1 1 204 204 GLN CB C 13 31.526 0.068 . 1 . . . . . 205 GLN CB . 27403 1 681 . 1 1 204 204 GLN N N 15 126.116 0.080 . 1 . . . . . 205 GLN N . 27403 1 682 . 1 1 205 205 GLU H H 1 9.296 0.004 . 1 . . . . . 206 GLU H . 27403 1 683 . 1 1 205 205 GLU C C 13 174.848 0.010 . 1 . . . . . 206 GLU C . 27403 1 684 . 1 1 205 205 GLU CA C 13 53.746 0.018 . 1 . . . . . 206 GLU CA . 27403 1 685 . 1 1 205 205 GLU CB C 13 31.973 0.045 . 1 . . . . . 206 GLU CB . 27403 1 686 . 1 1 205 205 GLU N N 15 126.408 0.030 . 1 . . . . . 206 GLU N . 27403 1 687 . 1 1 206 206 PHE H H 1 9.375 0.003 . 1 . . . . . 207 PHE H . 27403 1 688 . 1 1 206 206 PHE C C 13 175.645 0.000 . 1 . . . . . 207 PHE C . 27403 1 689 . 1 1 206 206 PHE CA C 13 56.137 0.020 . 1 . . . . . 207 PHE CA . 27403 1 690 . 1 1 206 206 PHE CB C 13 42.051 0.035 . 1 . . . . . 207 PHE CB . 27403 1 691 . 1 1 206 206 PHE N N 15 122.123 0.044 . 1 . . . . . 207 PHE N . 27403 1 692 . 1 1 207 207 HIS H H 1 8.548 0.003 . 1 . . . . . 208 HIS H . 27403 1 693 . 1 1 207 207 HIS C C 13 176.045 0.017 . 1 . . . . . 208 HIS C . 27403 1 694 . 1 1 207 207 HIS CA C 13 54.818 0.010 . 1 . . . . . 208 HIS CA . 27403 1 695 . 1 1 207 207 HIS CB C 13 31.636 0.044 . 1 . . . . . 208 HIS CB . 27403 1 696 . 1 1 207 207 HIS N N 15 121.630 0.055 . 1 . . . . . 208 HIS N . 27403 1 697 . 1 1 208 208 LEU H H 1 8.055 0.003 . 1 . . . . . 209 LEU H . 27403 1 698 . 1 1 208 208 LEU C C 13 177.872 0.000 . 1 . . . . . 209 LEU C . 27403 1 699 . 1 1 208 208 LEU CA C 13 57.899 0.025 . 1 . . . . . 209 LEU CA . 27403 1 700 . 1 1 208 208 LEU CB C 13 41.927 0.072 . 1 . . . . . 209 LEU CB . 27403 1 701 . 1 1 208 208 LEU N N 15 128.347 0.047 . 1 . . . . . 209 LEU N . 27403 1 702 . 1 1 209 209 SER H H 1 9.526 0.006 . 1 . . . . . 210 SER H . 27403 1 703 . 1 1 209 209 SER C C 13 177.277 0.000 . 1 . . . . . 210 SER C . 27403 1 704 . 1 1 209 209 SER CA C 13 61.142 0.089 . 1 . . . . . 210 SER CA . 27403 1 705 . 1 1 209 209 SER N N 15 112.687 0.044 . 1 . . . . . 210 SER N . 27403 1 706 . 1 1 210 210 ARG H H 1 6.797 0.005 . 1 . . . . . 211 ARG H . 27403 1 707 . 1 1 210 210 ARG C C 13 177.798 0.016 . 1 . . . . . 211 ARG C . 27403 1 708 . 1 1 210 210 ARG CA C 13 56.641 0.139 . 1 . . . . . 211 ARG CA . 27403 1 709 . 1 1 210 210 ARG CB C 13 28.602 0.047 . 1 . . . . . 211 ARG CB . 27403 1 710 . 1 1 210 210 ARG N N 15 120.474 0.067 . 1 . . . . . 211 ARG N . 27403 1 711 . 1 1 211 211 ILE H H 1 7.486 0.004 . 1 . . . . . 212 ILE H . 27403 1 712 . 1 1 211 211 ILE C C 13 176.997 0.006 . 1 . . . . . 212 ILE C . 27403 1 713 . 1 1 211 211 ILE CA C 13 65.943 0.128 . 1 . . . . . 212 ILE CA . 27403 1 714 . 1 1 211 211 ILE CB C 13 36.980 0.010 . 1 . . . . . 212 ILE CB . 27403 1 715 . 1 1 211 211 ILE N N 15 121.202 0.042 . 1 . . . . . 212 ILE N . 27403 1 716 . 1 1 212 212 LEU H H 1 7.878 0.005 . 1 . . . . . 213 LEU H . 27403 1 717 . 1 1 212 212 LEU C C 13 179.926 0.019 . 1 . . . . . 213 LEU C . 27403 1 718 . 1 1 212 212 LEU CA C 13 58.020 0.027 . 1 . . . . . 213 LEU CA . 27403 1 719 . 1 1 212 212 LEU CB C 13 37.975 0.021 . 1 . . . . . 213 LEU CB . 27403 1 720 . 1 1 212 212 LEU N N 15 116.030 0.068 . 1 . . . . . 213 LEU N . 27403 1 721 . 1 1 213 213 GLN H H 1 7.766 0.002 . 1 . . . . . 214 GLN H . 27403 1 722 . 1 1 213 213 GLN C C 13 179.427 0.000 . 1 . . . . . 214 GLN C . 27403 1 723 . 1 1 213 213 GLN CA C 13 58.442 0.031 . 1 . . . . . 214 GLN CA . 27403 1 724 . 1 1 213 213 GLN CB C 13 28.103 0.054 . 1 . . . . . 214 GLN CB . 27403 1 725 . 1 1 213 213 GLN N N 15 117.230 0.041 . 1 . . . . . 214 GLN N . 27403 1 726 . 1 1 214 214 GLU H H 1 8.251 0.002 . 1 . . . . . 215 GLU H . 27403 1 727 . 1 1 214 214 GLU C C 13 179.071 0.000 . 1 . . . . . 215 GLU C . 27403 1 728 . 1 1 214 214 GLU CA C 13 58.845 0.041 . 1 . . . . . 215 GLU CA . 27403 1 729 . 1 1 214 214 GLU CB C 13 28.767 0.100 . 1 . . . . . 215 GLU CB . 27403 1 730 . 1 1 214 214 GLU N N 15 118.648 0.033 . 1 . . . . . 215 GLU N . 27403 1 731 . 1 1 215 215 LEU H H 1 7.790 0.003 . 1 . . . . . 216 LEU H . 27403 1 732 . 1 1 215 215 LEU C C 13 176.722 0.000 . 1 . . . . . 216 LEU C . 27403 1 733 . 1 1 215 215 LEU CA C 13 54.674 0.162 . 1 . . . . . 216 LEU CA . 27403 1 734 . 1 1 215 215 LEU CB C 13 41.727 0.039 . 1 . . . . . 216 LEU CB . 27403 1 735 . 1 1 215 215 LEU N N 15 114.505 0.044 . 1 . . . . . 216 LEU N . 27403 1 736 . 1 1 216 216 GLY H H 1 7.649 0.005 . 1 . . . . . 217 GLY H . 27403 1 737 . 1 1 216 216 GLY C C 13 174.710 0.020 . 1 . . . . . 217 GLY C . 27403 1 738 . 1 1 216 216 GLY CA C 13 46.468 0.147 . 1 . . . . . 217 GLY CA . 27403 1 739 . 1 1 216 216 GLY N N 15 110.752 0.035 . 1 . . . . . 217 GLY N . 27403 1 740 . 1 1 217 217 LEU H H 1 7.846 0.003 . 1 . . . . . 218 LEU H . 27403 1 741 . 1 1 217 217 LEU C C 13 176.150 0.046 . 1 . . . . . 218 LEU C . 27403 1 742 . 1 1 217 217 LEU CA C 13 52.520 0.019 . 1 . . . . . 218 LEU CA . 27403 1 743 . 1 1 217 217 LEU CB C 13 44.878 0.015 . 1 . . . . . 218 LEU CB . 27403 1 744 . 1 1 217 217 LEU N N 15 117.531 0.036 . 1 . . . . . 218 LEU N . 27403 1 745 . 1 1 218 218 ASN H H 1 7.491 0.002 . 1 . . . . . 219 ASN H . 27403 1 746 . 1 1 218 218 ASN C C 13 176.238 0.041 . 1 . . . . . 219 ASN C . 27403 1 747 . 1 1 218 218 ASN CA C 13 50.126 0.030 . 1 . . . . . 219 ASN CA . 27403 1 748 . 1 1 218 218 ASN CB C 13 38.591 0.043 . 1 . . . . . 219 ASN CB . 27403 1 749 . 1 1 218 218 ASN N N 15 116.104 0.030 . 1 . . . . . 219 ASN N . 27403 1 750 . 1 1 219 219 GLN H H 1 8.536 0.004 . 1 . . . . . 220 GLN H . 27403 1 751 . 1 1 219 219 GLN C C 13 177.941 0.000 . 1 . . . . . 220 GLN C . 27403 1 752 . 1 1 219 219 GLN CA C 13 59.030 0.050 . 1 . . . . . 220 GLN CA . 27403 1 753 . 1 1 219 219 GLN CB C 13 26.710 0.052 . 1 . . . . . 220 GLN CB . 27403 1 754 . 1 1 219 219 GLN N N 15 119.097 0.078 . 1 . . . . . 220 GLN N . 27403 1 755 . 1 1 220 220 GLU H H 1 8.517 0.003 . 1 . . . . . 221 GLU H . 27403 1 756 . 1 1 220 220 GLU C C 13 178.530 0.037 . 1 . . . . . 221 GLU C . 27403 1 757 . 1 1 220 220 GLU CA C 13 60.968 0.030 . 1 . . . . . 221 GLU CA . 27403 1 758 . 1 1 220 220 GLU CB C 13 28.252 0.029 . 1 . . . . . 221 GLU CB . 27403 1 759 . 1 1 220 220 GLU N N 15 118.592 0.045 . 1 . . . . . 221 GLU N . 27403 1 760 . 1 1 221 221 GLN H H 1 8.203 0.005 . 1 . . . . . 222 GLN H . 27403 1 761 . 1 1 221 221 GLN C C 13 178.405 0.000 . 1 . . . . . 222 GLN C . 27403 1 762 . 1 1 221 221 GLN CA C 13 57.771 0.039 . 1 . . . . . 222 GLN CA . 27403 1 763 . 1 1 221 221 GLN CB C 13 28.536 0.011 . 1 . . . . . 222 GLN CB . 27403 1 764 . 1 1 221 221 GLN N N 15 118.681 0.079 . 1 . . . . . 222 GLN N . 27403 1 765 . 1 1 222 222 PHE H H 1 8.450 0.002 . 1 . . . . . 223 PHE H . 27403 1 766 . 1 1 222 222 PHE C C 13 177.471 0.000 . 1 . . . . . 223 PHE C . 27403 1 767 . 1 1 222 222 PHE CA C 13 60.379 0.041 . 1 . . . . . 223 PHE CA . 27403 1 768 . 1 1 222 222 PHE CB C 13 38.673 0.113 . 1 . . . . . 223 PHE CB . 27403 1 769 . 1 1 222 222 PHE N N 15 120.913 0.048 . 1 . . . . . 223 PHE N . 27403 1 770 . 1 1 223 223 VAL H H 1 8.623 0.007 . 1 . . . . . 224 VAL H . 27403 1 771 . 1 1 223 223 VAL C C 13 177.216 0.013 . 1 . . . . . 224 VAL C . 27403 1 772 . 1 1 223 223 VAL CA C 13 67.062 0.019 . 1 . . . . . 224 VAL CA . 27403 1 773 . 1 1 223 223 VAL CB C 13 29.853 0.078 . 1 . . . . . 224 VAL CB . 27403 1 774 . 1 1 223 223 VAL N N 15 122.923 0.106 . 1 . . . . . 224 VAL N . 27403 1 775 . 1 1 224 224 ASP H H 1 7.330 0.001 . 1 . . . . . 225 ASP H . 27403 1 776 . 1 1 224 224 ASP C C 13 178.751 0.000 . 1 . . . . . 225 ASP C . 27403 1 777 . 1 1 224 224 ASP CA C 13 57.145 0.055 . 1 . . . . . 225 ASP CA . 27403 1 778 . 1 1 224 224 ASP CB C 13 40.300 0.068 . 1 . . . . . 225 ASP CB . 27403 1 779 . 1 1 224 224 ASP N N 15 120.152 0.055 . 1 . . . . . 225 ASP N . 27403 1 780 . 1 1 225 225 LEU H H 1 8.411 0.004 . 1 . . . . . 226 LEU H . 27403 1 781 . 1 1 225 225 LEU C C 13 177.576 0.011 . 1 . . . . . 226 LEU C . 27403 1 782 . 1 1 225 225 LEU CA C 13 57.778 0.000 . 1 . . . . . 226 LEU CA . 27403 1 783 . 1 1 225 225 LEU CB C 13 39.705 0.008 . 1 . . . . . 226 LEU CB . 27403 1 784 . 1 1 225 225 LEU N N 15 120.930 0.025 . 1 . . . . . 226 LEU N . 27403 1 785 . 1 1 226 226 CYS H H 1 7.615 0.004 . 1 . . . . . 227 CYS H . 27403 1 786 . 1 1 226 226 CYS C C 13 176.263 0.045 . 1 . . . . . 227 CYS C . 27403 1 787 . 1 1 226 226 CYS CA C 13 63.679 0.043 . 1 . . . . . 227 CYS CA . 27403 1 788 . 1 1 226 226 CYS CB C 13 25.633 0.000 . 1 . . . . . 227 CYS CB . 27403 1 789 . 1 1 226 226 CYS N N 15 116.147 0.127 . 1 . . . . . 227 CYS N . 27403 1 790 . 1 1 227 227 ILE H H 1 7.837 0.006 . 1 . . . . . 228 ILE H . 27403 1 791 . 1 1 227 227 ILE C C 13 178.732 0.000 . 1 . . . . . 228 ILE C . 27403 1 792 . 1 1 227 227 ILE CA C 13 64.608 0.030 . 1 . . . . . 228 ILE CA . 27403 1 793 . 1 1 227 227 ILE CB C 13 36.647 0.091 . 1 . . . . . 228 ILE CB . 27403 1 794 . 1 1 227 227 ILE N N 15 120.741 0.040 . 1 . . . . . 228 ILE N . 27403 1 795 . 1 1 228 228 LEU H H 1 7.846 0.003 . 1 . . . . . 229 LEU H . 27403 1 796 . 1 1 228 228 LEU C C 13 179.749 0.000 . 1 . . . . . 229 LEU C . 27403 1 797 . 1 1 228 228 LEU CA C 13 56.228 0.023 . 1 . . . . . 229 LEU CA . 27403 1 798 . 1 1 228 228 LEU CB C 13 40.901 0.045 . 1 . . . . . 229 LEU CB . 27403 1 799 . 1 1 228 228 LEU N N 15 118.989 0.033 . 1 . . . . . 229 LEU N . 27403 1 800 . 1 1 229 229 LEU H H 1 8.121 0.004 . 1 . . . . . 230 LEU H . 27403 1 801 . 1 1 229 229 LEU C C 13 177.489 0.035 . 1 . . . . . 230 LEU C . 27403 1 802 . 1 1 229 229 LEU CA C 13 56.996 0.014 . 1 . . . . . 230 LEU CA . 27403 1 803 . 1 1 229 229 LEU CB C 13 39.191 0.107 . 1 . . . . . 230 LEU CB . 27403 1 804 . 1 1 229 229 LEU N N 15 121.552 0.089 . 1 . . . . . 230 LEU N . 27403 1 805 . 1 1 230 230 GLY H H 1 7.237 0.004 . 1 . . . . . 231 GLY H . 27403 1 806 . 1 1 230 230 GLY C C 13 171.495 0.002 . 1 . . . . . 231 GLY C . 27403 1 807 . 1 1 230 230 GLY CA C 13 46.051 0.079 . 1 . . . . . 231 GLY CA . 27403 1 808 . 1 1 230 230 GLY N N 15 106.331 0.050 . 1 . . . . . 231 GLY N . 27403 1 809 . 1 1 231 231 SER H H 1 9.928 0.005 . 1 . . . . . 232 SER H . 27403 1 810 . 1 1 231 231 SER C C 13 173.897 0.032 . 1 . . . . . 232 SER C . 27403 1 811 . 1 1 231 231 SER CA C 13 57.255 0.016 . 1 . . . . . 232 SER CA . 27403 1 812 . 1 1 231 231 SER CB C 13 67.787 0.149 . 1 . . . . . 232 SER CB . 27403 1 813 . 1 1 231 231 SER N N 15 128.824 0.066 . 1 . . . . . 232 SER N . 27403 1 814 . 1 1 232 232 ASP H H 1 9.158 0.002 . 1 . . . . . 233 ASP H . 27403 1 815 . 1 1 232 232 ASP C C 13 177.976 0.000 . 1 . . . . . 233 ASP C . 27403 1 816 . 1 1 232 232 ASP CA C 13 54.797 0.000 . 1 . . . . . 233 ASP CA . 27403 1 817 . 1 1 232 232 ASP CB C 13 40.161 0.000 . 1 . . . . . 233 ASP CB . 27403 1 818 . 1 1 232 232 ASP N N 15 117.057 0.078 . 1 . . . . . 233 ASP N . 27403 1 819 . 1 1 233 233 TYR H H 1 7.309 0.003 . 1 . . . . . 234 TYR H . 27403 1 820 . 1 1 233 233 TYR C C 13 174.767 0.000 . 1 . . . . . 234 TYR C . 27403 1 821 . 1 1 233 233 TYR CA C 13 60.278 0.000 . 1 . . . . . 234 TYR CA . 27403 1 822 . 1 1 233 233 TYR CB C 13 39.667 0.037 . 1 . . . . . 234 TYR CB . 27403 1 823 . 1 1 233 233 TYR N N 15 113.103 0.057 . 1 . . . . . 234 TYR N . 27403 1 824 . 1 1 234 234 CYS H H 1 7.174 0.008 . 1 . . . . . 235 CYS H . 27403 1 825 . 1 1 234 234 CYS CA C 13 55.735 0.000 . 1 . . . . . 235 CYS CA . 27403 1 826 . 1 1 234 234 CYS CB C 13 28.997 0.000 . 1 . . . . . 235 CYS CB . 27403 1 827 . 1 1 234 234 CYS N N 15 108.574 0.050 . 1 . . . . . 235 CYS N . 27403 1 828 . 1 1 235 235 GLU C C 13 175.360 0.000 . 1 . . . . . 236 GLU C . 27403 1 829 . 1 1 235 235 GLU CA C 13 57.164 0.000 . 1 . . . . . 236 GLU CA . 27403 1 830 . 1 1 235 235 GLU CB C 13 30.063 0.000 . 1 . . . . . 236 GLU CB . 27403 1 831 . 1 1 236 236 SER H H 1 8.034 0.003 . 1 . . . . . 237 SER H . 27403 1 832 . 1 1 236 236 SER C C 13 172.908 0.011 . 1 . . . . . 237 SER C . 27403 1 833 . 1 1 236 236 SER CA C 13 56.208 0.028 . 1 . . . . . 237 SER CA . 27403 1 834 . 1 1 236 236 SER CB C 13 63.680 0.014 . 1 . . . . . 237 SER CB . 27403 1 835 . 1 1 236 236 SER N N 15 115.226 0.027 . 1 . . . . . 237 SER N . 27403 1 836 . 1 1 237 237 ILE H H 1 8.295 0.002 . 1 . . . . . 238 ILE H . 27403 1 837 . 1 1 237 237 ILE C C 13 176.830 0.013 . 1 . . . . . 238 ILE C . 27403 1 838 . 1 1 237 237 ILE CA C 13 60.710 0.020 . 1 . . . . . 238 ILE CA . 27403 1 839 . 1 1 237 237 ILE CB C 13 37.143 0.029 . 1 . . . . . 238 ILE CB . 27403 1 840 . 1 1 237 237 ILE N N 15 119.054 0.049 . 1 . . . . . 238 ILE N . 27403 1 841 . 1 1 238 238 ARG H H 1 8.609 0.004 . 1 . . . . . 239 ARG H . 27403 1 842 . 1 1 238 238 ARG C C 13 177.096 0.001 . 1 . . . . . 239 ARG C . 27403 1 843 . 1 1 238 238 ARG CA C 13 57.477 0.025 . 1 . . . . . 239 ARG CA . 27403 1 844 . 1 1 238 238 ARG CB C 13 28.818 0.000 . 1 . . . . . 239 ARG CB . 27403 1 845 . 1 1 238 238 ARG N N 15 131.020 0.015 . 1 . . . . . 239 ARG N . 27403 1 846 . 1 1 239 239 GLY H H 1 8.590 0.006 . 1 . . . . . 240 GLY H . 27403 1 847 . 1 1 239 239 GLY C C 13 174.177 0.017 . 1 . . . . . 240 GLY C . 27403 1 848 . 1 1 239 239 GLY CA C 13 44.874 0.096 . 1 . . . . . 240 GLY CA . 27403 1 849 . 1 1 239 239 GLY N N 15 110.328 0.103 . 1 . . . . . 240 GLY N . 27403 1 850 . 1 1 240 240 ILE H H 1 7.241 0.002 . 1 . . . . . 241 ILE H . 27403 1 851 . 1 1 240 240 ILE C C 13 175.299 0.017 . 1 . . . . . 241 ILE C . 27403 1 852 . 1 1 240 240 ILE CA C 13 59.473 0.019 . 1 . . . . . 241 ILE CA . 27403 1 853 . 1 1 240 240 ILE CB C 13 35.634 0.052 . 1 . . . . . 241 ILE CB . 27403 1 854 . 1 1 240 240 ILE N N 15 120.868 0.025 . 1 . . . . . 241 ILE N . 27403 1 855 . 1 1 241 241 GLY H H 1 8.295 0.003 . 1 . . . . . 242 GLY H . 27403 1 856 . 1 1 241 241 GLY C C 13 171.662 0.000 . 1 . . . . . 242 GLY C . 27403 1 857 . 1 1 241 241 GLY CA C 13 44.266 0.000 . 1 . . . . . 242 GLY CA . 27403 1 858 . 1 1 241 241 GLY N N 15 116.100 0.033 . 1 . . . . . 242 GLY N . 27403 1 859 . 1 1 242 242 PRO C C 13 177.836 0.009 . 1 . . . . . 243 PRO C . 27403 1 860 . 1 1 242 242 PRO CA C 13 65.750 0.045 . 1 . . . . . 243 PRO CA . 27403 1 861 . 1 1 242 242 PRO CB C 13 32.001 0.035 . 1 . . . . . 243 PRO CB . 27403 1 862 . 1 1 243 243 LYS H H 1 7.948 0.003 . 1 . . . . . 244 LYS H . 27403 1 863 . 1 1 243 243 LYS C C 13 179.563 0.018 . 1 . . . . . 244 LYS C . 27403 1 864 . 1 1 243 243 LYS CA C 13 59.105 0.033 . 1 . . . . . 244 LYS CA . 27403 1 865 . 1 1 243 243 LYS CB C 13 30.426 0.081 . 1 . . . . . 244 LYS CB . 27403 1 866 . 1 1 243 243 LYS N N 15 114.531 0.111 . 1 . . . . . 244 LYS N . 27403 1 867 . 1 1 244 244 ARG H H 1 7.591 0.005 . 1 . . . . . 245 ARG H . 27403 1 868 . 1 1 244 244 ARG C C 13 177.563 0.013 . 1 . . . . . 245 ARG C . 27403 1 869 . 1 1 244 244 ARG CA C 13 57.221 0.025 . 1 . . . . . 245 ARG CA . 27403 1 870 . 1 1 244 244 ARG CB C 13 28.122 0.048 . 1 . . . . . 245 ARG CB . 27403 1 871 . 1 1 244 244 ARG N N 15 121.824 0.074 . 1 . . . . . 245 ARG N . 27403 1 872 . 1 1 245 245 ALA H H 1 8.512 0.007 . 1 . . . . . 246 ALA H . 27403 1 873 . 1 1 245 245 ALA C C 13 178.663 0.054 . 1 . . . . . 246 ALA C . 27403 1 874 . 1 1 245 245 ALA CA C 13 55.380 0.037 . 1 . . . . . 246 ALA CA . 27403 1 875 . 1 1 245 245 ALA CB C 13 16.991 0.000 . 1 . . . . . 246 ALA CB . 27403 1 876 . 1 1 245 245 ALA N N 15 121.919 0.071 . 1 . . . . . 246 ALA N . 27403 1 877 . 1 1 246 246 VAL H H 1 7.395 0.005 . 1 . . . . . 247 VAL H . 27403 1 878 . 1 1 246 246 VAL C C 13 176.750 0.021 . 1 . . . . . 247 VAL C . 27403 1 879 . 1 1 246 246 VAL CA C 13 66.452 0.026 . 1 . . . . . 247 VAL CA . 27403 1 880 . 1 1 246 246 VAL CB C 13 30.557 0.012 . 1 . . . . . 247 VAL CB . 27403 1 881 . 1 1 246 246 VAL N N 15 115.695 0.091 . 1 . . . . . 247 VAL N . 27403 1 882 . 1 1 247 247 ASP H H 1 7.272 0.003 . 1 . . . . . 248 ASP H . 27403 1 883 . 1 1 247 247 ASP C C 13 178.637 0.000 . 1 . . . . . 248 ASP C . 27403 1 884 . 1 1 247 247 ASP CA C 13 57.290 0.044 . 1 . . . . . 248 ASP CA . 27403 1 885 . 1 1 247 247 ASP CB C 13 41.140 0.104 . 1 . . . . . 248 ASP CB . 27403 1 886 . 1 1 247 247 ASP N N 15 119.307 0.066 . 1 . . . . . 248 ASP N . 27403 1 887 . 1 1 248 248 LEU H H 1 8.496 0.002 . 1 . . . . . 249 LEU H . 27403 1 888 . 1 1 248 248 LEU C C 13 179.401 0.024 . 1 . . . . . 249 LEU C . 27403 1 889 . 1 1 248 248 LEU CA C 13 57.278 0.053 . 1 . . . . . 249 LEU CA . 27403 1 890 . 1 1 248 248 LEU N N 15 117.102 0.055 . 1 . . . . . 249 LEU N . 27403 1 891 . 1 1 249 249 ILE H H 1 8.192 0.004 . 1 . . . . . 250 ILE H . 27403 1 892 . 1 1 249 249 ILE C C 13 178.824 0.000 . 1 . . . . . 250 ILE C . 27403 1 893 . 1 1 249 249 ILE CA C 13 60.696 0.000 . 1 . . . . . 250 ILE CA . 27403 1 894 . 1 1 249 249 ILE CB C 13 34.740 0.063 . 1 . . . . . 250 ILE CB . 27403 1 895 . 1 1 249 249 ILE N N 15 121.115 0.039 . 1 . . . . . 250 ILE N . 27403 1 896 . 1 1 250 250 GLN H H 1 8.522 0.003 . 1 . . . . . 251 GLN H . 27403 1 897 . 1 1 250 250 GLN C C 13 178.673 0.000 . 1 . . . . . 251 GLN C . 27403 1 898 . 1 1 250 250 GLN CA C 13 58.970 0.009 . 1 . . . . . 251 GLN CA . 27403 1 899 . 1 1 250 250 GLN CB C 13 27.444 0.000 . 1 . . . . . 251 GLN CB . 27403 1 900 . 1 1 250 250 GLN N N 15 120.890 0.038 . 1 . . . . . 251 GLN N . 27403 1 901 . 1 1 251 251 LYS H H 1 7.689 0.002 . 1 . . . . . 252 LYS H . 27403 1 902 . 1 1 251 251 LYS C C 13 178.390 0.016 . 1 . . . . . 252 LYS C . 27403 1 903 . 1 1 251 251 LYS CA C 13 58.443 0.055 . 1 . . . . . 252 LYS CA . 27403 1 904 . 1 1 251 251 LYS CB C 13 32.229 0.000 . 1 . . . . . 252 LYS CB . 27403 1 905 . 1 1 251 251 LYS N N 15 116.229 0.048 . 1 . . . . . 252 LYS N . 27403 1 906 . 1 1 252 252 HIS H H 1 8.224 0.003 . 1 . . . . . 253 HIS H . 27403 1 907 . 1 1 252 252 HIS C C 13 177.642 0.008 . 1 . . . . . 253 HIS C . 27403 1 908 . 1 1 252 252 HIS CA C 13 56.049 0.071 . 1 . . . . . 253 HIS CA . 27403 1 909 . 1 1 252 252 HIS CB C 13 31.063 0.000 . 1 . . . . . 253 HIS CB . 27403 1 910 . 1 1 252 252 HIS N N 15 114.837 0.067 . 1 . . . . . 253 HIS N . 27403 1 911 . 1 1 253 253 LYS H H 1 8.052 0.010 . 1 . . . . . 254 LYS H . 27403 1 912 . 1 1 253 253 LYS C C 13 175.691 0.025 . 1 . . . . . 254 LYS C . 27403 1 913 . 1 1 253 253 LYS CA C 13 59.792 0.024 . 1 . . . . . 254 LYS CA . 27403 1 914 . 1 1 253 253 LYS CB C 13 29.305 0.089 . 1 . . . . . 254 LYS CB . 27403 1 915 . 1 1 253 253 LYS N N 15 113.908 0.076 . 1 . . . . . 254 LYS N . 27403 1 916 . 1 1 254 254 SER H H 1 8.011 0.003 . 1 . . . . . 255 SER H . 27403 1 917 . 1 1 254 254 SER C C 13 174.587 0.024 . 1 . . . . . 255 SER C . 27403 1 918 . 1 1 254 254 SER CA C 13 55.558 0.022 . 1 . . . . . 255 SER CA . 27403 1 919 . 1 1 254 254 SER CB C 13 66.116 0.077 . 1 . . . . . 255 SER CB . 27403 1 920 . 1 1 254 254 SER N N 15 112.822 0.033 . 1 . . . . . 255 SER N . 27403 1 921 . 1 1 255 255 ILE H H 1 8.366 0.004 . 1 . . . . . 256 ILE H . 27403 1 922 . 1 1 255 255 ILE C C 13 176.824 0.037 . 1 . . . . . 256 ILE C . 27403 1 923 . 1 1 255 255 ILE CA C 13 66.038 0.039 . 1 . . . . . 256 ILE CA . 27403 1 924 . 1 1 255 255 ILE CB C 13 36.449 0.140 . 1 . . . . . 256 ILE CB . 27403 1 925 . 1 1 255 255 ILE N N 15 122.259 0.051 . 1 . . . . . 256 ILE N . 27403 1 926 . 1 1 256 256 GLU H H 1 8.925 0.003 . 1 . . . . . 257 GLU H . 27403 1 927 . 1 1 256 256 GLU C C 13 178.459 0.000 . 1 . . . . . 257 GLU C . 27403 1 928 . 1 1 256 256 GLU CA C 13 59.689 0.009 . 1 . . . . . 257 GLU CA . 27403 1 929 . 1 1 256 256 GLU CB C 13 28.912 0.026 . 1 . . . . . 257 GLU CB . 27403 1 930 . 1 1 256 256 GLU N N 15 119.573 0.049 . 1 . . . . . 257 GLU N . 27403 1 931 . 1 1 257 257 GLU H H 1 7.328 0.004 . 1 . . . . . 258 GLU H . 27403 1 932 . 1 1 257 257 GLU C C 13 178.481 0.046 . 1 . . . . . 258 GLU C . 27403 1 933 . 1 1 257 257 GLU CA C 13 57.679 0.006 . 1 . . . . . 258 GLU CA . 27403 1 934 . 1 1 257 257 GLU CB C 13 28.462 0.021 . 1 . . . . . 258 GLU CB . 27403 1 935 . 1 1 257 257 GLU N N 15 117.862 0.039 . 1 . . . . . 258 GLU N . 27403 1 936 . 1 1 258 258 ILE H H 1 7.789 0.006 . 1 . . . . . 259 ILE H . 27403 1 937 . 1 1 258 258 ILE C C 13 178.378 0.000 . 1 . . . . . 259 ILE C . 27403 1 938 . 1 1 258 258 ILE CA C 13 65.803 0.000 . 1 . . . . . 259 ILE CA . 27403 1 939 . 1 1 258 258 ILE CB C 13 37.065 0.000 . 1 . . . . . 259 ILE CB . 27403 1 940 . 1 1 258 258 ILE N N 15 120.961 0.057 . 1 . . . . . 259 ILE N . 27403 1 941 . 1 1 259 259 VAL H H 1 8.506 0.001 . 1 . . . . . 260 VAL H . 27403 1 942 . 1 1 259 259 VAL C C 13 178.055 0.000 . 1 . . . . . 260 VAL C . 27403 1 943 . 1 1 259 259 VAL CA C 13 66.190 0.075 . 1 . . . . . 260 VAL CA . 27403 1 944 . 1 1 259 259 VAL CB C 13 30.588 0.021 . 1 . . . . . 260 VAL CB . 27403 1 945 . 1 1 259 259 VAL N N 15 116.621 0.054 . 1 . . . . . 260 VAL N . 27403 1 946 . 1 1 260 260 ARG H H 1 7.055 0.007 . 1 . . . . . 261 ARG H . 27403 1 947 . 1 1 260 260 ARG C C 13 177.633 0.009 . 1 . . . . . 261 ARG C . 27403 1 948 . 1 1 260 260 ARG CA C 13 58.271 0.112 . 1 . . . . . 261 ARG CA . 27403 1 949 . 1 1 260 260 ARG CB C 13 29.774 0.049 . 1 . . . . . 261 ARG CB . 27403 1 950 . 1 1 260 260 ARG N N 15 117.179 0.060 . 1 . . . . . 261 ARG N . 27403 1 951 . 1 1 261 261 ARG H H 1 7.327 0.005 . 1 . . . . . 262 ARG H . 27403 1 952 . 1 1 261 261 ARG C C 13 176.290 0.000 . 1 . . . . . 262 ARG C . 27403 1 953 . 1 1 261 261 ARG CA C 13 54.817 0.000 . 1 . . . . . 262 ARG CA . 27403 1 954 . 1 1 261 261 ARG CB C 13 29.908 0.027 . 1 . . . . . 262 ARG CB . 27403 1 955 . 1 1 261 261 ARG N N 15 116.388 0.119 . 1 . . . . . 262 ARG N . 27403 1 956 . 1 1 262 262 LEU H H 1 7.306 0.005 . 1 . . . . . 263 LEU H . 27403 1 957 . 1 1 262 262 LEU C C 13 176.988 0.032 . 1 . . . . . 263 LEU C . 27403 1 958 . 1 1 262 262 LEU CA C 13 53.994 0.016 . 1 . . . . . 263 LEU CA . 27403 1 959 . 1 1 262 262 LEU CB C 13 42.122 0.014 . 1 . . . . . 263 LEU CB . 27403 1 960 . 1 1 262 262 LEU N N 15 121.437 0.068 . 1 . . . . . 263 LEU N . 27403 1 961 . 1 1 263 263 ASP H H 1 8.414 0.003 . 1 . . . . . 264 ASP H . 27403 1 962 . 1 1 263 263 ASP C C 13 175.691 0.000 . 1 . . . . . 264 ASP C . 27403 1 963 . 1 1 263 263 ASP CA C 13 51.366 0.000 . 1 . . . . . 264 ASP CA . 27403 1 964 . 1 1 263 263 ASP CB C 13 40.974 0.000 . 1 . . . . . 264 ASP CB . 27403 1 965 . 1 1 263 263 ASP N N 15 124.844 0.030 . 1 . . . . . 264 ASP N . 27403 1 966 . 1 1 264 264 PRO C C 13 177.515 0.000 . 1 . . . . . 265 PRO C . 27403 1 967 . 1 1 264 264 PRO CA C 13 63.757 0.000 . 1 . . . . . 265 PRO CA . 27403 1 968 . 1 1 264 264 PRO CB C 13 31.072 0.000 . 1 . . . . . 265 PRO CB . 27403 1 969 . 1 1 265 265 ASN H H 1 8.256 0.003 . 1 . . . . . 266 ASN H . 27403 1 970 . 1 1 265 265 ASN C C 13 175.861 0.012 . 1 . . . . . 266 ASN C . 27403 1 971 . 1 1 265 265 ASN CA C 13 54.305 0.037 . 1 . . . . . 266 ASN CA . 27403 1 972 . 1 1 265 265 ASN CB C 13 38.205 0.126 . 1 . . . . . 266 ASN CB . 27403 1 973 . 1 1 265 265 ASN N N 15 115.750 0.040 . 1 . . . . . 266 ASN N . 27403 1 974 . 1 1 266 266 LYS H H 1 7.339 0.003 . 1 . . . . . 267 LYS H . 27403 1 975 . 1 1 266 266 LYS C C 13 175.540 0.021 . 1 . . . . . 267 LYS C . 27403 1 976 . 1 1 266 266 LYS CA C 13 56.469 0.024 . 1 . . . . . 267 LYS CA . 27403 1 977 . 1 1 266 266 LYS CB C 13 33.914 0.016 . 1 . . . . . 267 LYS CB . 27403 1 978 . 1 1 266 266 LYS N N 15 118.861 0.107 . 1 . . . . . 267 LYS N . 27403 1 979 . 1 1 267 267 TYR H H 1 7.753 0.003 . 1 . . . . . 268 TYR H . 27403 1 980 . 1 1 267 267 TYR CA C 13 54.110 0.000 . 1 . . . . . 268 TYR CA . 27403 1 981 . 1 1 267 267 TYR CB C 13 38.527 0.000 . 1 . . . . . 268 TYR CB . 27403 1 982 . 1 1 267 267 TYR N N 15 116.942 0.046 . 1 . . . . . 268 TYR N . 27403 1 983 . 1 1 270 270 PRO C C 13 175.914 0.035 . 1 . . . . . 271 PRO C . 27403 1 984 . 1 1 270 270 PRO CA C 13 62.576 0.028 . 1 . . . . . 271 PRO CA . 27403 1 985 . 1 1 270 270 PRO CB C 13 30.820 0.016 . 1 . . . . . 271 PRO CB . 27403 1 986 . 1 1 271 271 GLU H H 1 8.376 0.004 . 1 . . . . . 272 GLU H . 27403 1 987 . 1 1 271 271 GLU C C 13 177.140 0.004 . 1 . . . . . 272 GLU C . 27403 1 988 . 1 1 271 271 GLU CA C 13 56.634 0.071 . 1 . . . . . 272 GLU CA . 27403 1 989 . 1 1 271 271 GLU CB C 13 29.119 0.000 . 1 . . . . . 272 GLU CB . 27403 1 990 . 1 1 271 271 GLU N N 15 122.666 0.053 . 1 . . . . . 272 GLU N . 27403 1 991 . 1 1 272 272 ASN H H 1 8.945 0.006 . 1 . . . . . 273 ASN H . 27403 1 992 . 1 1 272 272 ASN CA C 13 53.245 0.050 . 1 . . . . . 273 ASN CA . 27403 1 993 . 1 1 272 272 ASN N N 15 121.093 0.096 . 1 . . . . . 273 ASN N . 27403 1 994 . 1 1 273 273 TRP H H 1 7.814 0.013 . 1 . . . . . 274 TRP H . 27403 1 995 . 1 1 273 273 TRP CB C 13 28.990 0.000 . 1 . . . . . 274 TRP CB . 27403 1 996 . 1 1 273 273 TRP N N 15 118.549 0.107 . 1 . . . . . 274 TRP N . 27403 1 997 . 1 1 276 276 LYS C C 13 179.429 0.000 . 1 . . . . . 277 LYS C . 27403 1 998 . 1 1 276 276 LYS CA C 13 58.319 0.000 . 1 . . . . . 277 LYS CA . 27403 1 999 . 1 1 277 277 GLU H H 1 8.806 0.006 . 1 . . . . . 278 GLU H . 27403 1 1000 . 1 1 277 277 GLU C C 13 179.476 0.006 . 1 . . . . . 278 GLU C . 27403 1 1001 . 1 1 277 277 GLU CA C 13 59.819 0.054 . 1 . . . . . 278 GLU CA . 27403 1 1002 . 1 1 277 277 GLU CB C 13 26.910 0.000 . 1 . . . . . 278 GLU CB . 27403 1 1003 . 1 1 277 277 GLU N N 15 123.028 0.050 . 1 . . . . . 278 GLU N . 27403 1 1004 . 1 1 278 278 ALA H H 1 7.808 0.010 . 1 . . . . . 279 ALA H . 27403 1 1005 . 1 1 278 278 ALA C C 13 177.150 0.000 . 1 . . . . . 279 ALA C . 27403 1 1006 . 1 1 278 278 ALA CA C 13 54.427 0.019 . 1 . . . . . 279 ALA CA . 27403 1 1007 . 1 1 278 278 ALA CB C 13 18.393 0.025 . 1 . . . . . 279 ALA CB . 27403 1 1008 . 1 1 278 278 ALA N N 15 123.189 0.148 . 1 . . . . . 279 ALA N . 27403 1 1009 . 1 1 279 279 HIS H H 1 8.309 0.007 . 1 . . . . . 280 HIS H . 27403 1 1010 . 1 1 279 279 HIS C C 13 176.469 0.007 . 1 . . . . . 280 HIS C . 27403 1 1011 . 1 1 279 279 HIS CA C 13 59.040 0.020 . 1 . . . . . 280 HIS CA . 27403 1 1012 . 1 1 279 279 HIS CB C 13 28.147 0.084 . 1 . . . . . 280 HIS CB . 27403 1 1013 . 1 1 279 279 HIS N N 15 117.954 0.088 . 1 . . . . . 280 HIS N . 27403 1 1014 . 1 1 280 280 GLN H H 1 7.600 0.004 . 1 . . . . . 281 GLN H . 27403 1 1015 . 1 1 280 280 GLN C C 13 177.529 0.000 . 1 . . . . . 281 GLN C . 27403 1 1016 . 1 1 280 280 GLN CA C 13 58.252 0.027 . 1 . . . . . 281 GLN CA . 27403 1 1017 . 1 1 280 280 GLN CB C 13 27.640 0.050 . 1 . . . . . 281 GLN CB . 27403 1 1018 . 1 1 280 280 GLN N N 15 116.570 0.079 . 1 . . . . . 281 GLN N . 27403 1 1019 . 1 1 281 281 LEU H H 1 7.476 0.006 . 1 . . . . . 282 LEU H . 27403 1 1020 . 1 1 281 281 LEU CA C 13 57.755 0.000 . 1 . . . . . 282 LEU CA . 27403 1 1021 . 1 1 281 281 LEU N N 15 121.513 0.094 . 1 . . . . . 282 LEU N . 27403 1 1022 . 1 1 285 285 PRO C C 13 176.659 0.000 . 1 . . . . . 286 PRO C . 27403 1 1023 . 1 1 285 285 PRO CA C 13 62.440 0.033 . 1 . . . . . 286 PRO CA . 27403 1 1024 . 1 1 285 285 PRO CB C 13 31.046 0.024 . 1 . . . . . 286 PRO CB . 27403 1 1025 . 1 1 286 286 GLU H H 1 8.515 0.003 . 1 . . . . . 287 GLU H . 27403 1 1026 . 1 1 286 286 GLU C C 13 176.937 0.023 . 1 . . . . . 287 GLU C . 27403 1 1027 . 1 1 286 286 GLU CA C 13 56.238 0.001 . 1 . . . . . 287 GLU CA . 27403 1 1028 . 1 1 286 286 GLU CB C 13 28.598 0.078 . 1 . . . . . 287 GLU CB . 27403 1 1029 . 1 1 286 286 GLU N N 15 120.645 0.037 . 1 . . . . . 287 GLU N . 27403 1 1030 . 1 1 287 287 VAL H H 1 8.593 0.003 . 1 . . . . . 288 VAL H . 27403 1 1031 . 1 1 287 287 VAL C C 13 175.020 0.019 . 1 . . . . . 288 VAL C . 27403 1 1032 . 1 1 287 287 VAL CA C 13 58.953 0.006 . 1 . . . . . 288 VAL CA . 27403 1 1033 . 1 1 287 287 VAL CB C 13 36.886 0.016 . 1 . . . . . 288 VAL CB . 27403 1 1034 . 1 1 287 287 VAL N N 15 120.976 0.046 . 1 . . . . . 288 VAL N . 27403 1 1035 . 1 1 288 288 LEU H H 1 6.937 0.003 . 1 . . . . . 289 LEU H . 27403 1 1036 . 1 1 288 288 LEU C C 13 174.315 0.016 . 1 . . . . . 289 LEU C . 27403 1 1037 . 1 1 288 288 LEU CA C 13 53.601 0.017 . 1 . . . . . 289 LEU CA . 27403 1 1038 . 1 1 288 288 LEU CB C 13 40.795 0.029 . 1 . . . . . 289 LEU CB . 27403 1 1039 . 1 1 288 288 LEU N N 15 118.990 0.068 . 1 . . . . . 289 LEU N . 27403 1 1040 . 1 1 289 289 ASP H H 1 8.276 0.002 . 1 . . . . . 290 ASP H . 27403 1 1041 . 1 1 289 289 ASP C C 13 176.748 0.000 . 1 . . . . . 290 ASP C . 27403 1 1042 . 1 1 289 289 ASP CA C 13 50.352 0.000 . 1 . . . . . 290 ASP CA . 27403 1 1043 . 1 1 289 289 ASP CB C 13 40.127 0.000 . 1 . . . . . 290 ASP CB . 27403 1 1044 . 1 1 289 289 ASP N N 15 119.847 0.042 . 1 . . . . . 290 ASP N . 27403 1 1045 . 1 1 290 290 PRO C C 13 176.955 0.021 . 1 . . . . . 291 PRO C . 27403 1 1046 . 1 1 290 290 PRO CA C 13 63.890 0.024 . 1 . . . . . 291 PRO CA . 27403 1 1047 . 1 1 290 290 PRO CB C 13 32.309 0.002 . 1 . . . . . 291 PRO CB . 27403 1 1048 . 1 1 291 291 GLU H H 1 7.944 0.003 . 1 . . . . . 292 GLU H . 27403 1 1049 . 1 1 291 291 GLU C C 13 177.732 0.010 . 1 . . . . . 292 GLU C . 27403 1 1050 . 1 1 291 291 GLU CA C 13 56.454 0.008 . 1 . . . . . 292 GLU CA . 27403 1 1051 . 1 1 291 291 GLU CB C 13 27.961 0.030 . 1 . . . . . 292 GLU CB . 27403 1 1052 . 1 1 291 291 GLU N N 15 113.928 0.043 . 1 . . . . . 292 GLU N . 27403 1 1053 . 1 1 292 292 SER H H 1 7.546 0.003 . 1 . . . . . 293 SER H . 27403 1 1054 . 1 1 292 292 SER C C 13 174.079 0.059 . 1 . . . . . 293 SER C . 27403 1 1055 . 1 1 292 292 SER CA C 13 58.253 0.010 . 1 . . . . . 293 SER CA . 27403 1 1056 . 1 1 292 292 SER CB C 13 63.908 0.017 . 1 . . . . . 293 SER CB . 27403 1 1057 . 1 1 292 292 SER N N 15 112.813 0.085 . 1 . . . . . 293 SER N . 27403 1 1058 . 1 1 293 293 VAL H H 1 6.775 0.002 . 1 . . . . . 294 VAL H . 27403 1 1059 . 1 1 293 293 VAL C C 13 174.471 0.016 . 1 . . . . . 294 VAL C . 27403 1 1060 . 1 1 293 293 VAL CA C 13 60.793 0.023 . 1 . . . . . 294 VAL CA . 27403 1 1061 . 1 1 293 293 VAL CB C 13 32.170 0.047 . 1 . . . . . 294 VAL CB . 27403 1 1062 . 1 1 293 293 VAL N N 15 118.357 0.040 . 1 . . . . . 294 VAL N . 27403 1 1063 . 1 1 294 294 GLU H H 1 8.424 0.002 . 1 . . . . . 295 GLU H . 27403 1 1064 . 1 1 294 294 GLU C C 13 175.124 0.006 . 1 . . . . . 295 GLU C . 27403 1 1065 . 1 1 294 294 GLU CA C 13 54.533 0.043 . 1 . . . . . 295 GLU CA . 27403 1 1066 . 1 1 294 294 GLU CB C 13 29.679 0.008 . 1 . . . . . 295 GLU CB . 27403 1 1067 . 1 1 294 294 GLU N N 15 127.394 0.032 . 1 . . . . . 295 GLU N . 27403 1 1068 . 1 1 295 295 LEU H H 1 8.465 0.004 . 1 . . . . . 296 LEU H . 27403 1 1069 . 1 1 295 295 LEU C C 13 174.967 0.016 . 1 . . . . . 296 LEU C . 27403 1 1070 . 1 1 295 295 LEU CA C 13 53.762 0.032 . 1 . . . . . 296 LEU CA . 27403 1 1071 . 1 1 295 295 LEU CB C 13 41.219 0.048 . 1 . . . . . 296 LEU CB . 27403 1 1072 . 1 1 295 295 LEU N N 15 126.216 0.028 . 1 . . . . . 296 LEU N . 27403 1 1073 . 1 1 296 296 LYS H H 1 7.169 0.002 . 1 . . . . . 297 LYS H . 27403 1 1074 . 1 1 296 296 LYS C C 13 173.356 0.010 . 1 . . . . . 297 LYS C . 27403 1 1075 . 1 1 296 296 LYS CA C 13 54.840 0.005 . 1 . . . . . 297 LYS CA . 27403 1 1076 . 1 1 296 296 LYS CB C 13 34.460 0.024 . 1 . . . . . 297 LYS CB . 27403 1 1077 . 1 1 296 296 LYS N N 15 122.732 0.046 . 1 . . . . . 297 LYS N . 27403 1 1078 . 1 1 297 297 TRP H H 1 8.731 0.002 . 1 . . . . . 298 TRP H . 27403 1 1079 . 1 1 297 297 TRP C C 13 176.250 0.021 . 1 . . . . . 298 TRP C . 27403 1 1080 . 1 1 297 297 TRP CA C 13 58.893 0.012 . 1 . . . . . 298 TRP CA . 27403 1 1081 . 1 1 297 297 TRP CB C 13 30.042 0.016 . 1 . . . . . 298 TRP CB . 27403 1 1082 . 1 1 297 297 TRP N N 15 126.635 0.041 . 1 . . . . . 298 TRP N . 27403 1 1083 . 1 1 298 298 SER H H 1 9.199 0.003 . 1 . . . . . 299 SER H . 27403 1 1084 . 1 1 298 298 SER C C 13 172.813 0.016 . 1 . . . . . 299 SER C . 27403 1 1085 . 1 1 298 298 SER CA C 13 56.616 0.008 . 1 . . . . . 299 SER CA . 27403 1 1086 . 1 1 298 298 SER CB C 13 64.573 0.010 . 1 . . . . . 299 SER CB . 27403 1 1087 . 1 1 298 298 SER N N 15 120.579 0.037 . 1 . . . . . 299 SER N . 27403 1 1088 . 1 1 299 299 GLU H H 1 8.412 0.002 . 1 . . . . . 300 GLU H . 27403 1 1089 . 1 1 299 299 GLU C C 13 174.761 0.000 . 1 . . . . . 300 GLU C . 27403 1 1090 . 1 1 299 299 GLU CA C 13 54.484 0.000 . 1 . . . . . 300 GLU CA . 27403 1 1091 . 1 1 299 299 GLU CB C 13 28.443 0.000 . 1 . . . . . 300 GLU CB . 27403 1 1092 . 1 1 299 299 GLU N N 15 121.255 0.041 . 1 . . . . . 300 GLU N . 27403 1 1093 . 1 1 300 300 PRO C C 13 175.645 0.015 . 1 . . . . . 301 PRO C . 27403 1 1094 . 1 1 300 300 PRO CA C 13 62.078 0.027 . 1 . . . . . 301 PRO CA . 27403 1 1095 . 1 1 300 300 PRO CB C 13 31.560 0.000 . 1 . . . . . 301 PRO CB . 27403 1 1096 . 1 1 301 301 ASN H H 1 8.519 0.002 . 1 . . . . . 302 ASN H . 27403 1 1097 . 1 1 301 301 ASN C C 13 174.744 0.000 . 1 . . . . . 302 ASN C . 27403 1 1098 . 1 1 301 301 ASN CA C 13 50.823 0.037 . 1 . . . . . 302 ASN CA . 27403 1 1099 . 1 1 301 301 ASN CB C 13 36.559 0.015 . 1 . . . . . 302 ASN CB . 27403 1 1100 . 1 1 301 301 ASN N N 15 121.226 0.042 . 1 . . . . . 302 ASN N . 27403 1 1101 . 1 1 302 302 GLU H H 1 8.304 0.003 . 1 . . . . . 303 GLU H . 27403 1 1102 . 1 1 302 302 GLU C C 13 177.382 0.016 . 1 . . . . . 303 GLU C . 27403 1 1103 . 1 1 302 302 GLU CA C 13 61.005 0.015 . 1 . . . . . 303 GLU CA . 27403 1 1104 . 1 1 302 302 GLU CB C 13 29.204 0.036 . 1 . . . . . 303 GLU CB . 27403 1 1105 . 1 1 302 302 GLU N N 15 124.103 0.054 . 1 . . . . . 303 GLU N . 27403 1 1106 . 1 1 303 303 GLU H H 1 8.736 0.004 . 1 . . . . . 304 GLU H . 27403 1 1107 . 1 1 303 303 GLU C C 13 180.424 0.014 . 1 . . . . . 304 GLU C . 27403 1 1108 . 1 1 303 303 GLU CA C 13 59.281 0.032 . 1 . . . . . 304 GLU CA . 27403 1 1109 . 1 1 303 303 GLU CB C 13 27.996 0.012 . 1 . . . . . 304 GLU CB . 27403 1 1110 . 1 1 303 303 GLU N N 15 116.273 0.045 . 1 . . . . . 304 GLU N . 27403 1 1111 . 1 1 304 304 GLU H H 1 7.520 0.004 . 1 . . . . . 305 GLU H . 27403 1 1112 . 1 1 304 304 GLU C C 13 179.115 0.000 . 1 . . . . . 305 GLU C . 27403 1 1113 . 1 1 304 304 GLU CA C 13 57.791 0.016 . 1 . . . . . 305 GLU CA . 27403 1 1114 . 1 1 304 304 GLU CB C 13 28.660 0.028 . 1 . . . . . 305 GLU CB . 27403 1 1115 . 1 1 304 304 GLU N N 15 117.917 0.067 . 1 . . . . . 305 GLU N . 27403 1 1116 . 1 1 305 305 LEU H H 1 8.496 0.002 . 1 . . . . . 306 LEU H . 27403 1 1117 . 1 1 305 305 LEU C C 13 178.785 0.000 . 1 . . . . . 306 LEU C . 27403 1 1118 . 1 1 305 305 LEU CA C 13 58.725 0.029 . 1 . . . . . 306 LEU CA . 27403 1 1119 . 1 1 305 305 LEU CB C 13 40.951 0.000 . 1 . . . . . 306 LEU CB . 27403 1 1120 . 1 1 305 305 LEU N N 15 122.894 0.071 . 1 . . . . . 306 LEU N . 27403 1 1121 . 1 1 306 306 ILE H H 1 8.055 0.002 . 1 . . . . . 307 ILE H . 27403 1 1122 . 1 1 306 306 ILE C C 13 178.638 0.062 . 1 . . . . . 307 ILE C . 27403 1 1123 . 1 1 306 306 ILE CA C 13 63.622 0.029 . 1 . . . . . 307 ILE CA . 27403 1 1124 . 1 1 306 306 ILE CB C 13 35.775 0.020 . 1 . . . . . 307 ILE CB . 27403 1 1125 . 1 1 306 306 ILE N N 15 120.360 0.065 . 1 . . . . . 307 ILE N . 27403 1 1126 . 1 1 307 307 LYS H H 1 7.755 0.006 . 1 . . . . . 308 LYS H . 27403 1 1127 . 1 1 307 307 LYS C C 13 178.529 0.000 . 1 . . . . . 308 LYS C . 27403 1 1128 . 1 1 307 307 LYS CA C 13 60.037 0.048 . 1 . . . . . 308 LYS CA . 27403 1 1129 . 1 1 307 307 LYS CB C 13 31.351 0.077 . 1 . . . . . 308 LYS CB . 27403 1 1130 . 1 1 307 307 LYS N N 15 121.802 0.083 . 1 . . . . . 308 LYS N . 27403 1 1131 . 1 1 308 308 PHE H H 1 8.042 0.005 . 1 . . . . . 309 PHE H . 27403 1 1132 . 1 1 308 308 PHE C C 13 176.360 0.008 . 1 . . . . . 309 PHE C . 27403 1 1133 . 1 1 308 308 PHE CA C 13 59.124 0.076 . 1 . . . . . 309 PHE CA . 27403 1 1134 . 1 1 308 308 PHE CB C 13 39.592 0.045 . 1 . . . . . 309 PHE CB . 27403 1 1135 . 1 1 308 308 PHE N N 15 117.073 0.128 . 1 . . . . . 309 PHE N . 27403 1 1136 . 1 1 309 309 MET H H 1 8.730 0.003 . 1 . . . . . 310 MET H . 27403 1 1137 . 1 1 309 309 MET C C 13 176.336 0.000 . 1 . . . . . 310 MET C . 27403 1 1138 . 1 1 309 309 MET CA C 13 56.593 0.012 . 1 . . . . . 310 MET CA . 27403 1 1139 . 1 1 309 309 MET CB C 13 32.068 0.002 . 1 . . . . . 310 MET CB . 27403 1 1140 . 1 1 309 309 MET N N 15 114.474 0.032 . 1 . . . . . 310 MET N . 27403 1 1141 . 1 1 310 310 CYS H H 1 8.361 0.005 . 1 . . . . . 311 CYS H . 27403 1 1142 . 1 1 310 310 CYS C C 13 177.130 0.024 . 1 . . . . . 311 CYS C . 27403 1 1143 . 1 1 310 310 CYS CA C 13 58.812 0.031 . 1 . . . . . 311 CYS CA . 27403 1 1144 . 1 1 310 310 CYS CB C 13 27.503 0.111 . 1 . . . . . 311 CYS CB . 27403 1 1145 . 1 1 310 310 CYS N N 15 116.419 0.057 . 1 . . . . . 311 CYS N . 27403 1 1146 . 1 1 311 311 GLY H H 1 7.631 0.003 . 1 . . . . . 312 GLY H . 27403 1 1147 . 1 1 311 311 GLY C C 13 175.159 0.030 . 1 . . . . . 312 GLY C . 27403 1 1148 . 1 1 311 311 GLY CA C 13 47.353 0.047 . 1 . . . . . 312 GLY CA . 27403 1 1149 . 1 1 311 311 GLY N N 15 109.499 0.079 . 1 . . . . . 312 GLY N . 27403 1 1150 . 1 1 312 312 GLU H H 1 7.561 0.005 . 1 . . . . . 313 GLU H . 27403 1 1151 . 1 1 312 312 GLU C C 13 173.764 0.000 . 1 . . . . . 313 GLU C . 27403 1 1152 . 1 1 312 312 GLU CA C 13 57.967 0.020 . 1 . . . . . 313 GLU CA . 27403 1 1153 . 1 1 312 312 GLU CB C 13 28.692 0.057 . 1 . . . . . 313 GLU CB . 27403 1 1154 . 1 1 312 312 GLU N N 15 118.886 0.061 . 1 . . . . . 313 GLU N . 27403 1 1155 . 1 1 313 313 LYS H H 1 7.203 0.004 . 1 . . . . . 314 LYS H . 27403 1 1156 . 1 1 313 313 LYS C C 13 175.619 0.000 . 1 . . . . . 314 LYS C . 27403 1 1157 . 1 1 313 313 LYS CA C 13 53.658 0.073 . 1 . . . . . 314 LYS CA . 27403 1 1158 . 1 1 313 313 LYS CB C 13 29.897 0.000 . 1 . . . . . 314 LYS CB . 27403 1 1159 . 1 1 313 313 LYS N N 15 113.814 0.022 . 1 . . . . . 314 LYS N . 27403 1 1160 . 1 1 314 314 GLN H H 1 6.769 0.002 . 1 . . . . . 315 GLN H . 27403 1 1161 . 1 1 314 314 GLN C C 13 175.872 0.000 . 1 . . . . . 315 GLN C . 27403 1 1162 . 1 1 314 314 GLN CA C 13 57.209 0.000 . 1 . . . . . 315 GLN CA . 27403 1 1163 . 1 1 314 314 GLN CB C 13 24.728 0.037 . 1 . . . . . 315 GLN CB . 27403 1 1164 . 1 1 314 314 GLN N N 15 109.619 0.031 . 1 . . . . . 315 GLN N . 27403 1 1165 . 1 1 315 315 PHE H H 1 8.578 0.002 . 1 . . . . . 316 PHE H . 27403 1 1166 . 1 1 315 315 PHE C C 13 176.798 0.000 . 1 . . . . . 316 PHE C . 27403 1 1167 . 1 1 315 315 PHE CA C 13 58.471 0.051 . 1 . . . . . 316 PHE CA . 27403 1 1168 . 1 1 315 315 PHE CB C 13 38.505 0.063 . 1 . . . . . 316 PHE CB . 27403 1 1169 . 1 1 315 315 PHE N N 15 118.919 0.035 . 1 . . . . . 316 PHE N . 27403 1 1170 . 1 1 316 316 SER H H 1 8.724 0.004 . 1 . . . . . 317 SER H . 27403 1 1171 . 1 1 316 316 SER C C 13 176.094 0.144 . 1 . . . . . 317 SER C . 27403 1 1172 . 1 1 316 316 SER CA C 13 57.473 0.021 . 1 . . . . . 317 SER CA . 27403 1 1173 . 1 1 316 316 SER CB C 13 62.942 0.080 . 1 . . . . . 317 SER CB . 27403 1 1174 . 1 1 316 316 SER N N 15 116.680 0.040 . 1 . . . . . 317 SER N . 27403 1 1175 . 1 1 317 317 GLU H H 1 8.976 0.005 . 1 . . . . . 318 GLU H . 27403 1 1176 . 1 1 317 317 GLU C C 13 178.375 0.027 . 1 . . . . . 318 GLU C . 27403 1 1177 . 1 1 317 317 GLU CA C 13 59.956 0.031 . 1 . . . . . 318 GLU CA . 27403 1 1178 . 1 1 317 317 GLU CB C 13 28.513 0.026 . 1 . . . . . 318 GLU CB . 27403 1 1179 . 1 1 317 317 GLU N N 15 130.679 0.048 . 1 . . . . . 318 GLU N . 27403 1 1180 . 1 1 318 318 GLU H H 1 8.514 0.002 . 1 . . . . . 319 GLU H . 27403 1 1181 . 1 1 318 318 GLU C C 13 179.806 0.049 . 1 . . . . . 319 GLU C . 27403 1 1182 . 1 1 318 318 GLU CA C 13 59.307 0.033 . 1 . . . . . 319 GLU CA . 27403 1 1183 . 1 1 318 318 GLU CB C 13 28.253 0.013 . 1 . . . . . 319 GLU CB . 27403 1 1184 . 1 1 318 318 GLU N N 15 118.916 0.065 . 1 . . . . . 319 GLU N . 27403 1 1185 . 1 1 319 319 ARG H H 1 7.288 0.002 . 1 . . . . . 320 ARG H . 27403 1 1186 . 1 1 319 319 ARG C C 13 179.871 0.000 . 1 . . . . . 320 ARG C . 27403 1 1187 . 1 1 319 319 ARG CA C 13 58.204 0.005 . 1 . . . . . 320 ARG CA . 27403 1 1188 . 1 1 319 319 ARG CB C 13 29.373 0.043 . 1 . . . . . 320 ARG CB . 27403 1 1189 . 1 1 319 319 ARG N N 15 118.140 0.051 . 1 . . . . . 320 ARG N . 27403 1 1190 . 1 1 320 320 ILE H H 1 7.932 0.006 . 1 . . . . . 321 ILE H . 27403 1 1191 . 1 1 320 320 ILE C C 13 178.732 0.033 . 1 . . . . . 321 ILE C . 27403 1 1192 . 1 1 320 320 ILE CA C 13 61.077 0.025 . 1 . . . . . 321 ILE CA . 27403 1 1193 . 1 1 320 320 ILE CB C 13 33.877 0.028 . 1 . . . . . 321 ILE CB . 27403 1 1194 . 1 1 320 320 ILE N N 15 120.421 0.079 . 1 . . . . . 321 ILE N . 27403 1 1195 . 1 1 321 321 ARG H H 1 9.073 0.004 . 1 . . . . . 322 ARG H . 27403 1 1196 . 1 1 321 321 ARG C C 13 179.539 0.011 . 1 . . . . . 322 ARG C . 27403 1 1197 . 1 1 321 321 ARG CA C 13 60.676 0.009 . 1 . . . . . 322 ARG CA . 27403 1 1198 . 1 1 321 321 ARG CB C 13 28.506 0.000 . 1 . . . . . 322 ARG CB . 27403 1 1199 . 1 1 321 321 ARG N N 15 120.176 0.066 . 1 . . . . . 322 ARG N . 27403 1 1200 . 1 1 322 322 SER H H 1 7.856 0.007 . 1 . . . . . 323 SER H . 27403 1 1201 . 1 1 322 322 SER C C 13 177.522 0.000 . 1 . . . . . 323 SER C . 27403 1 1202 . 1 1 322 322 SER CA C 13 61.432 0.126 . 1 . . . . . 323 SER CA . 27403 1 1203 . 1 1 322 322 SER N N 15 113.931 0.085 . 1 . . . . . 323 SER N . 27403 1 1204 . 1 1 323 323 GLY H H 1 7.913 0.002 . 1 . . . . . 324 GLY H . 27403 1 1205 . 1 1 323 323 GLY C C 13 174.655 0.021 . 1 . . . . . 324 GLY C . 27403 1 1206 . 1 1 323 323 GLY CA C 13 47.362 0.077 . 1 . . . . . 324 GLY CA . 27403 1 1207 . 1 1 323 323 GLY N N 15 109.878 0.059 . 1 . . . . . 324 GLY N . 27403 1 1208 . 1 1 324 324 VAL H H 1 8.586 0.002 . 1 . . . . . 325 VAL H . 27403 1 1209 . 1 1 324 324 VAL C C 13 178.190 0.033 . 1 . . . . . 325 VAL C . 27403 1 1210 . 1 1 324 324 VAL CA C 13 66.444 0.029 . 1 . . . . . 325 VAL CA . 27403 1 1211 . 1 1 324 324 VAL CB C 13 30.254 0.000 . 1 . . . . . 325 VAL CB . 27403 1 1212 . 1 1 324 324 VAL N N 15 121.414 0.024 . 1 . . . . . 325 VAL N . 27403 1 1213 . 1 1 325 325 LYS H H 1 7.979 0.002 . 1 . . . . . 326 LYS H . 27403 1 1214 . 1 1 325 325 LYS C C 13 179.505 0.034 . 1 . . . . . 326 LYS C . 27403 1 1215 . 1 1 325 325 LYS CA C 13 58.813 0.016 . 1 . . . . . 326 LYS CA . 27403 1 1216 . 1 1 325 325 LYS CB C 13 30.782 0.000 . 1 . . . . . 326 LYS CB . 27403 1 1217 . 1 1 325 325 LYS N N 15 120.863 0.010 . 1 . . . . . 326 LYS N . 27403 1 1218 . 1 1 326 326 ARG H H 1 7.413 0.004 . 1 . . . . . 327 ARG H . 27403 1 1219 . 1 1 326 326 ARG C C 13 178.994 0.000 . 1 . . . . . 327 ARG C . 27403 1 1220 . 1 1 326 326 ARG CA C 13 58.813 0.038 . 1 . . . . . 327 ARG CA . 27403 1 1221 . 1 1 326 326 ARG CB C 13 29.976 0.054 . 1 . . . . . 327 ARG CB . 27403 1 1222 . 1 1 326 326 ARG N N 15 118.718 0.048 . 1 . . . . . 327 ARG N . 27403 1 1223 . 1 1 327 327 LEU H H 1 7.822 0.006 . 1 . . . . . 328 LEU H . 27403 1 1224 . 1 1 327 327 LEU C C 13 178.805 0.000 . 1 . . . . . 328 LEU C . 27403 1 1225 . 1 1 327 327 LEU CA C 13 56.506 0.023 . 1 . . . . . 328 LEU CA . 27403 1 1226 . 1 1 327 327 LEU CB C 13 40.849 0.088 . 1 . . . . . 328 LEU CB . 27403 1 1227 . 1 1 327 327 LEU N N 15 119.285 0.032 . 1 . . . . . 328 LEU N . 27403 1 1228 . 1 1 328 328 SER H H 1 8.313 0.005 . 1 . . . . . 329 SER H . 27403 1 1229 . 1 1 328 328 SER C C 13 176.504 0.025 . 1 . . . . . 329 SER C . 27403 1 1230 . 1 1 328 328 SER CA C 13 60.318 0.052 . 1 . . . . . 329 SER CA . 27403 1 1231 . 1 1 328 328 SER CB C 13 62.527 0.104 . 1 . . . . . 329 SER CB . 27403 1 1232 . 1 1 328 328 SER N N 15 115.431 0.057 . 1 . . . . . 329 SER N . 27403 1 1233 . 1 1 329 329 LYS H H 1 8.049 0.005 . 1 . . . . . 330 LYS H . 27403 1 1234 . 1 1 329 329 LYS C C 13 178.101 0.044 . 1 . . . . . 330 LYS C . 27403 1 1235 . 1 1 329 329 LYS CA C 13 57.604 0.030 . 1 . . . . . 330 LYS CA . 27403 1 1236 . 1 1 329 329 LYS CB C 13 31.300 0.016 . 1 . . . . . 330 LYS CB . 27403 1 1237 . 1 1 329 329 LYS N N 15 122.049 0.031 . 1 . . . . . 330 LYS N . 27403 1 1238 . 1 1 330 330 SER H H 1 7.851 0.002 . 1 . . . . . 331 SER H . 27403 1 1239 . 1 1 330 330 SER C C 13 174.974 0.000 . 1 . . . . . 331 SER C . 27403 1 1240 . 1 1 330 330 SER CA C 13 59.664 0.051 . 1 . . . . . 331 SER CA . 27403 1 1241 . 1 1 330 330 SER CB C 13 62.771 0.034 . 1 . . . . . 331 SER CB . 27403 1 1242 . 1 1 330 330 SER N N 15 115.039 0.059 . 1 . . . . . 331 SER N . 27403 1 1243 . 1 1 331 331 ARG H H 1 7.665 0.007 . 1 . . . . . 332 ARG H . 27403 1 1244 . 1 1 331 331 ARG C C 13 176.788 0.000 . 1 . . . . . 332 ARG C . 27403 1 1245 . 1 1 331 331 ARG CA C 13 56.261 0.000 . 1 . . . . . 332 ARG CA . 27403 1 1246 . 1 1 331 331 ARG CB C 13 29.391 0.000 . 1 . . . . . 332 ARG CB . 27403 1 1247 . 1 1 331 331 ARG N N 15 121.942 0.081 . 1 . . . . . 332 ARG N . 27403 1 1248 . 1 1 335 335 THR C C 13 174.448 0.000 . 1 . . . . . 336 THR C . 27403 1 1249 . 1 1 335 335 THR CA C 13 61.663 0.018 . 1 . . . . . 336 THR CA . 27403 1 1250 . 1 1 335 335 THR CB C 13 69.200 0.000 . 1 . . . . . 336 THR CB . 27403 1 1251 . 1 1 336 336 LEU H H 1 8.051 0.003 . 1 . . . . . 337 LEU H . 27403 1 1252 . 1 1 336 336 LEU C C 13 177.201 0.012 . 1 . . . . . 337 LEU C . 27403 1 1253 . 1 1 336 336 LEU CA C 13 54.964 0.013 . 1 . . . . . 337 LEU CA . 27403 1 1254 . 1 1 336 336 LEU CB C 13 41.210 0.003 . 1 . . . . . 337 LEU CB . 27403 1 1255 . 1 1 336 336 LEU N N 15 124.213 0.034 . 1 . . . . . 337 LEU N . 27403 1 1256 . 1 1 337 337 GLU H H 1 8.168 0.003 . 1 . . . . . 338 GLU H . 27403 1 1257 . 1 1 337 337 GLU C C 13 176.269 0.017 . 1 . . . . . 338 GLU C . 27403 1 1258 . 1 1 337 337 GLU CA C 13 56.224 0.007 . 1 . . . . . 338 GLU CA . 27403 1 1259 . 1 1 337 337 GLU CB C 13 29.335 0.005 . 1 . . . . . 338 GLU CB . 27403 1 1260 . 1 1 337 337 GLU N N 15 122.046 0.026 . 1 . . . . . 338 GLU N . 27403 1 1261 . 1 1 338 338 VAL H H 1 7.919 0.003 . 1 . . . . . 339 VAL H . 27403 1 1262 . 1 1 338 338 VAL C C 13 175.753 0.014 . 1 . . . . . 339 VAL C . 27403 1 1263 . 1 1 338 338 VAL CA C 13 61.868 0.038 . 1 . . . . . 339 VAL CA . 27403 1 1264 . 1 1 338 338 VAL CB C 13 31.628 0.003 . 1 . . . . . 339 VAL CB . 27403 1 1265 . 1 1 338 338 VAL N N 15 121.539 0.028 . 1 . . . . . 339 VAL N . 27403 1 1266 . 1 1 339 339 LEU H H 1 8.041 0.003 . 1 . . . . . 340 LEU H . 27403 1 1267 . 1 1 339 339 LEU C C 13 176.798 0.017 . 1 . . . . . 340 LEU C . 27403 1 1268 . 1 1 339 339 LEU CA C 13 54.551 0.007 . 1 . . . . . 340 LEU CA . 27403 1 1269 . 1 1 339 339 LEU CB C 13 41.442 0.007 . 1 . . . . . 340 LEU CB . 27403 1 1270 . 1 1 339 339 LEU N N 15 125.558 0.021 . 1 . . . . . 340 LEU N . 27403 1 1271 . 1 1 340 340 PHE H H 1 8.024 0.003 . 1 . . . . . 341 PHE H . 27403 1 1272 . 1 1 340 340 PHE C C 13 174.687 0.016 . 1 . . . . . 341 PHE C . 27403 1 1273 . 1 1 340 340 PHE CA C 13 57.135 0.014 . 1 . . . . . 341 PHE CA . 27403 1 1274 . 1 1 340 340 PHE CB C 13 38.586 0.005 . 1 . . . . . 341 PHE CB . 27403 1 1275 . 1 1 340 340 PHE N N 15 121.013 0.032 . 1 . . . . . 341 PHE N . 27403 1 1276 . 1 1 341 341 GLN H H 1 7.677 0.003 . 1 . . . . . 342 GLN H . 27403 1 1277 . 1 1 341 341 GLN C C 13 180.283 0.000 . 1 . . . . . 342 GLN C . 27403 1 1278 . 1 1 341 341 GLN CA C 13 56.884 0.000 . 1 . . . . . 342 GLN CA . 27403 1 1279 . 1 1 341 341 GLN CB C 13 29.663 0.000 . 1 . . . . . 342 GLN CB . 27403 1 1280 . 1 1 341 341 GLN N N 15 126.401 0.032 . 1 . . . . . 342 GLN N . 27403 1 stop_ save_