data_26648 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; FVO Plasmodium falciparum AMA1 ; _BMRB_accession_number 26648 _BMRB_flat_file_name bmr26648.str _Entry_type original _Submission_date 2015-09-04 _Accession_date 2015-09-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krishnarjuna Bankala . . 2 Lim 'San Sui' . . 3 Devine Shane M. . 4 Debono Cael O. . 5 Lam Raymond . . 6 Chandrashekaran Indu R. . 7 Jaipuria Garima . . 8 Yagi Hiromasa . . 9 MacRaild Christopher A. . 10 Atreya Hanudatta S. . 11 Anders Robin F. . 12 Scanlon Martin J. . 13 Scammells Peter J. . 14 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "13C chemical shifts" 403 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-27 original BMRB . stop_ _Original_release_date 2015-09-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR characterization of apical membrane antigen 1 and small molecule interactions as a basis for designing new antimalarials ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26804042 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krishnarjuna Bankala . . 2 Lim 'San Sui' S. . 3 Devine Shane M. . 4 Debono Cael O. . 5 Lam Raymond . . 6 Chandrashekaran Indu R. . 7 Jaipuria Garima . . 8 Yagi Hiromasa . . 9 Atreya Hanudatta S. . 10 Scanlon Martin J. . 11 MacRaild Christopher A. . 12 Scammells Peter J. . 13 Norton Raymond S. . stop_ _Journal_abbreviation 'J. Mol. Recognit.' _Journal_name_full 'Journal of molecular recognition : JMR' _Journal_volume 29 _Journal_issue 6 _Journal_ISSN 1099-1352 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 281 _Page_last 291 _Year 2016 _Details . loop_ _Keyword 'FVO PfAMA1' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AMA1-RON2 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hydrophobic cleft' $FVO_PfAMA1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FVO_PfAMA1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FVO_PfAMA1 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 335 _Mol_residue_sequence ; NYMGNPWTEYMAKYDIEEVH GSGIRVDLGEDAEVAGTQYR LPSGKCPVFGKGIIIENSNT TFLKPVATGNQDLKDGGFAF PPTNPLISPMTLNGMRDFYK NNEYVKNLDELTLCSRHAGN MNPDNDKNSNYKYPAVYDYN DKKCHILYIAAFRNNGPRYC NKDQSKRNSMFCFKPAKDKL FENYTYLSKNVVDNWEEVCP RKNLENAKFGLWVDGNCEDI PHVNEFSANNDFLCNKLVFE LSASDQPKQYEQHLTDYEKI KEGFKNKNASMIKSAFLPTG AFKADRYKSHGKGYNWGNYN RETQKCEIFNVKPTCLINNS SYIATTALSHPIEVE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 104 ASN 2 105 TYR 3 106 MET 4 107 GLY 5 108 ASN 6 109 PRO 7 110 TRP 8 111 THR 9 112 GLU 10 113 TYR 11 114 MET 12 115 ALA 13 116 LYS 14 117 TYR 15 118 ASP 16 119 ILE 17 120 GLU 18 121 GLU 19 122 VAL 20 123 HIS 21 124 GLY 22 125 SER 23 126 GLY 24 127 ILE 25 128 ARG 26 129 VAL 27 130 ASP 28 131 LEU 29 132 GLY 30 133 GLU 31 134 ASP 32 135 ALA 33 136 GLU 34 137 VAL 35 138 ALA 36 139 GLY 37 140 THR 38 141 GLN 39 142 TYR 40 143 ARG 41 144 LEU 42 145 PRO 43 146 SER 44 147 GLY 45 148 LYS 46 149 CYS 47 150 PRO 48 151 VAL 49 152 PHE 50 153 GLY 51 154 LYS 52 155 GLY 53 156 ILE 54 157 ILE 55 158 ILE 56 159 GLU 57 160 ASN 58 161 SER 59 162 ASN 60 163 THR 61 164 THR 62 165 PHE 63 166 LEU 64 167 LYS 65 168 PRO 66 169 VAL 67 170 ALA 68 171 THR 69 172 GLY 70 173 ASN 71 174 GLN 72 175 ASP 73 176 LEU 74 177 LYS 75 178 ASP 76 179 GLY 77 180 GLY 78 181 PHE 79 182 ALA 80 183 PHE 81 184 PRO 82 185 PRO 83 186 THR 84 187 ASN 85 188 PRO 86 189 LEU 87 190 ILE 88 191 SER 89 192 PRO 90 193 MET 91 194 THR 92 195 LEU 93 196 ASN 94 197 GLY 95 198 MET 96 199 ARG 97 200 ASP 98 201 PHE 99 202 TYR 100 203 LYS 101 204 ASN 102 205 ASN 103 206 GLU 104 207 TYR 105 208 VAL 106 209 LYS 107 210 ASN 108 211 LEU 109 212 ASP 110 213 GLU 111 214 LEU 112 215 THR 113 216 LEU 114 217 CYS 115 218 SER 116 219 ARG 117 220 HIS 118 221 ALA 119 222 GLY 120 223 ASN 121 224 MET 122 225 ASN 123 226 PRO 124 227 ASP 125 228 ASN 126 229 ASP 127 230 LYS 128 231 ASN 129 232 SER 130 233 ASN 131 234 TYR 132 235 LYS 133 236 TYR 134 237 PRO 135 238 ALA 136 239 VAL 137 240 TYR 138 241 ASP 139 242 TYR 140 243 ASN 141 244 ASP 142 245 LYS 143 246 LYS 144 247 CYS 145 248 HIS 146 249 ILE 147 250 LEU 148 251 TYR 149 252 ILE 150 253 ALA 151 254 ALA 152 255 PHE 153 256 ARG 154 257 ASN 155 258 ASN 156 259 GLY 157 260 PRO 158 261 ARG 159 262 TYR 160 263 CYS 161 264 ASN 162 265 LYS 163 266 ASP 164 267 GLN 165 268 SER 166 269 LYS 167 270 ARG 168 271 ASN 169 272 SER 170 273 MET 171 274 PHE 172 275 CYS 173 276 PHE 174 277 LYS 175 278 PRO 176 279 ALA 177 280 LYS 178 281 ASP 179 282 LYS 180 283 LEU 181 284 PHE 182 285 GLU 183 286 ASN 184 287 TYR 185 288 THR 186 289 TYR 187 290 LEU 188 291 SER 189 292 LYS 190 293 ASN 191 294 VAL 192 295 VAL 193 296 ASP 194 297 ASN 195 298 TRP 196 299 GLU 197 300 GLU 198 301 VAL 199 302 CYS 200 303 PRO 201 304 ARG 202 305 LYS 203 306 ASN 204 307 LEU 205 308 GLU 206 309 ASN 207 310 ALA 208 311 LYS 209 312 PHE 210 313 GLY 211 314 LEU 212 315 TRP 213 316 VAL 214 317 ASP 215 318 GLY 216 319 ASN 217 320 CYS 218 321 GLU 219 322 ASP 220 323 ILE 221 324 PRO 222 325 HIS 223 326 VAL 224 327 ASN 225 328 GLU 226 329 PHE 227 330 SER 228 331 ALA 229 332 ASN 230 333 ASN 231 334 ASP 232 335 LEU 233 336 GLU 234 337 CYS 235 338 ASN 236 339 LYS 237 340 LEU 238 341 VAL 239 342 PHE 240 343 GLU 241 344 LEU 242 345 SER 243 346 ALA 244 347 SER 245 348 ASP 246 349 GLN 247 350 PRO 248 351 LYS 249 352 GLN 250 353 TYR 251 354 GLU 252 355 GLN 253 356 HIS 254 357 LEU 255 358 THR 256 359 ASP 257 360 TYR 258 361 GLU 259 362 LYS 260 363 ILE 261 364 LYS 262 365 GLU 263 366 GLY 264 367 PHE 265 368 LYS 266 369 ASN 267 370 LYS 268 371 ASN 269 372 ALA 270 373 SER 271 374 MET 272 375 ILE 273 376 LYS 274 377 SER 275 378 ALA 276 379 PHE 277 380 LEU 278 381 PRO 279 382 THR 280 383 GLY 281 384 ALA 282 385 PHE 283 386 LYS 284 387 ALA 285 388 ASP 286 389 ARG 287 390 TYR 288 391 LYS 289 392 SER 290 393 HIS 291 394 GLY 292 395 LYS 293 396 GLY 294 397 TYR 295 398 ASN 296 399 TRP 297 400 GLY 298 401 ASN 299 402 TYR 300 403 ASN 301 404 ARG 302 405 GLU 303 406 THR 304 407 GLN 305 408 LYS 306 409 CYS 307 410 GLU 308 411 ILE 309 412 PHE 310 413 ASN 311 414 VAL 312 415 LYS 313 416 PRO 314 417 THR 315 418 CYS 316 419 LEU 317 420 ILE 318 421 ASN 319 422 ASN 320 423 SER 321 424 SER 322 425 TYR 323 426 ILE 324 427 ALA 325 428 THR 326 429 THR 327 430 ALA 328 431 LEU 329 432 SER 330 433 HIS 331 434 PRO 332 435 ILE 333 436 GLU 334 437 VAL 335 438 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $FVO_PfAMA1 'malaria parasite P. falciparum' 5833 Eukaryota . Plasmodium falciparum FVO stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FVO_PfAMA1 'recombinant technology' . Escherichia coli . 'pPROEX HTb' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FVO_PfAMA1 250 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' D2O 10 % [U-2H] 'sodium azide' 0.01 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' arginine 50 mM 'natural abundance' 'glutamic acid' 50 mM 'natural abundance' 'protease inhibitor cocktail' 0.2 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FVO_PfAMA1 80 uM '[U-15N]-Lys; [U-80%] 2H' D2O 10 % '[U-100% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'glutamic acid' 50 mM 'natural abundance' arginine 50 mM 'natural abundance' 'protease inhibitor cocktail' 0.2 % 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 . mM pH 6.8 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CB' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Hydrophobic cleft' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 110 7 TRP H H 7.96 0 1 2 110 7 TRP CA C 57.51 0 1 3 110 7 TRP CB C 29.10 0 1 4 110 7 TRP N N 119.30 0 1 5 111 8 THR H H 7.02 0 1 6 111 8 THR CA C 67.16 0 1 7 111 8 THR CB C 68.71 0 1 8 111 8 THR N N 114.70 0 1 9 112 9 GLU H H 8.38 0 1 10 112 9 GLU CA C 59.35 0 1 11 112 9 GLU CB C 28.24 0 1 12 112 9 GLU N N 120.10 0 1 13 113 10 TYR H H 8.22 0 1 14 113 10 TYR CA C 60.73 0 1 15 113 10 TYR CB C 38.87 0 1 16 113 10 TYR N N 122.00 0 1 17 114 11 MET H H 8.19 0 1 18 114 11 MET CA C 53.22 0 1 19 114 11 MET CB C 28.30 0 1 20 114 11 MET N N 110.70 0 1 21 115 12 ALA H H 7.50 0 1 22 115 12 ALA CA C 55.90 0 1 23 115 12 ALA CB C 17.28 0 1 24 115 12 ALA N N 128.10 0 1 25 116 13 LYS H H 7.21 0 1 26 116 13 LYS CA C 56.73 0 1 27 116 13 LYS CB C 31.00 0 1 28 116 13 LYS N N 114.10 0 1 29 117 14 TYR H H 7.25 0 1 30 117 14 TYR CA C 56.80 0 1 31 117 14 TYR CB C 37.73 0 1 32 117 14 TYR N N 111.00 0 1 33 118 15 ASP H H 7.83 0 1 34 118 15 ASP CA C 51.74 0 1 35 118 15 ASP CB C 37.99 0 1 36 118 15 ASP N N 123.00 0 1 37 119 16 ILE H H 7.74 0 1 38 119 16 ILE CA C 64.42 0 1 39 119 16 ILE CB C 37.97 0 1 40 119 16 ILE N N 126.20 0 1 41 120 17 GLU H H 10.01 0 1 42 120 17 GLU CA C 60.44 0 1 43 120 17 GLU CB C 29.74 0 1 44 120 17 GLU N N 122.60 0 1 45 121 18 GLU H H 7.04 0 1 46 121 18 GLU CA C 57.62 0 1 47 121 18 GLU CB C 29.95 0 1 48 121 18 GLU N N 116.90 0 1 49 122 19 VAL H H 8.60 0 1 50 122 19 VAL CA C 64.11 0 1 51 122 19 VAL CB C 31.35 0 1 52 122 19 VAL N N 114.60 0 1 53 123 20 HIS H H 7.95 0 1 54 123 20 HIS CA C 57.96 0 1 55 123 20 HIS CB C 34.19 0 1 56 123 20 HIS N N 118.30 0 1 57 124 21 GLY H H 7.92 0 1 58 124 21 GLY CA C 46.26 0 1 59 124 21 GLY N N 102.60 0 1 60 125 22 SER H H 6.56 0 1 61 125 22 SER CA C 53.97 0 1 62 125 22 SER CB C 64.74 0 1 63 125 22 SER N N 111.40 0 1 64 126 23 GLY H H 8.73 0 1 65 126 23 GLY CA C 44.61 0 1 66 126 23 GLY N N 105.90 0 1 67 127 24 ILE H H 8.09 0 1 68 127 24 ILE CA C 63.43 0 1 69 127 24 ILE CB C 38.44 0 1 70 127 24 ILE N N 118.30 0 1 71 128 25 ARG H H 6.91 0 1 72 128 25 ARG CA C 59.05 0 1 73 128 25 ARG CB C 28.25 0 1 74 128 25 ARG N N 121.30 0 1 75 129 26 VAL H H 6.02 0 1 76 129 26 VAL CA C 61.65 0 1 77 129 26 VAL CB C 32.93 0 1 78 129 26 VAL N N 112.60 0 1 79 130 27 ASP H H 8.94 0 1 80 130 27 ASP CA C 51.62 0 1 81 130 27 ASP CB C 41.21 0 1 82 130 27 ASP N N 130.20 0 1 83 133 30 GLU H H 8.19 0 1 84 133 30 GLU CA C 56.50 0 1 85 133 30 GLU CB C 29.46 0 1 86 133 30 GLU N N 121.20 0 1 87 134 31 ASP H H 8.29 0 1 88 134 31 ASP CA C 54.13 0 1 89 134 31 ASP CB C 40.66 0 1 90 134 31 ASP N N 121.30 0 1 91 135 32 ALA H H 7.99 0 1 92 135 32 ALA CA C 52.60 0 1 93 135 32 ALA CB C 18.65 0 1 94 135 32 ALA N N 124.40 0 1 95 136 33 GLU H H 8.21 0 1 96 136 33 GLU CA C 56.55 0 1 97 136 33 GLU CB C 29.37 0 1 98 136 33 GLU N N 119.80 0 1 99 137 34 VAL H H 7.86 0 1 100 137 34 VAL CA C 62.13 0 1 101 137 34 VAL CB C 31.73 0 1 102 137 34 VAL N N 120.50 0 1 103 138 35 ALA H H 8.18 0 1 104 138 35 ALA CA C 52.54 0 1 105 138 35 ALA N N 127.40 0 1 106 139 36 GLY H H 8.63 0 1 107 139 36 GLY CA C 45.21 0 1 108 139 36 GLY N N 105.40 0 1 109 140 37 THR H H 7.82 0 1 110 140 37 THR CA C 61.56 0 1 111 140 37 THR CB C 70.18 0 1 112 140 37 THR N N 119.30 0 1 113 141 38 GLN H H 8.12 0 1 114 141 38 GLN CA C 55.19 0 1 115 141 38 GLN CB C 28.94 0 1 116 141 38 GLN N N 124.60 0 1 117 142 39 TYR H H 8.86 0 1 118 142 39 TYR CA C 56.68 0 1 119 142 39 TYR CB C 41.18 0 1 120 142 39 TYR N N 122.70 0 1 121 148 45 LYS H H 8.07 0 1 122 148 45 LYS CA C 58.57 0 1 123 148 45 LYS CB C 31.75 0 1 124 148 45 LYS N N 124.20 0 1 125 149 46 CYS H H 9.79 0 1 126 149 46 CYS CA C 51.42 0 1 127 149 46 CYS CB C 39.86 0 1 128 149 46 CYS N N 116.80 0 1 129 152 49 PHE H H 8.03 0 1 130 152 49 PHE CA C 60.82 0 1 131 152 49 PHE CB C 37.77 0 1 132 152 49 PHE N N 128.20 0 1 133 153 50 GLY H H 9.24 0 1 134 153 50 GLY CA C 44.69 0 1 135 153 50 GLY N N 113.00 0 1 136 154 51 LYS H H 6.29 0 1 137 154 51 LYS CA C 54.71 0 1 138 154 51 LYS CB C 33.12 0 1 139 154 51 LYS N N 117.70 0 1 140 155 52 GLY H H 7.59 0 1 141 155 52 GLY CA C 43.09 0 1 142 155 52 GLY N N 110.30 0 1 143 156 53 ILE H H 3.42 0 1 144 156 53 ILE CA C 57.43 0 1 145 156 53 ILE N N 116.50 0 1 146 157 54 ILE H H 9.12 0 1 147 157 54 ILE CA C 60.58 0 1 148 157 54 ILE CB C 38.50 0 1 149 157 54 ILE N N 128.60 0 1 150 158 55 ILE H H 8.15 0 1 151 158 55 ILE CA C 60.62 0 1 152 158 55 ILE CB C 37.00 0 1 153 158 55 ILE N N 129.10 0 1 154 171 68 THR H H 7.47 0 1 155 171 68 THR CA C 59.49 0 1 156 171 68 THR CB C 71.99 0 1 157 171 68 THR N N 110.40 0 1 158 172 69 GLY H H 8.11 0 1 159 172 69 GLY CA C 46.26 0 1 160 172 69 GLY N N 109.00 0 1 161 174 71 GLN H H 7.63 0 1 162 174 71 GLN CA C 55.31 0 1 163 174 71 GLN CB C 30.23 0 1 164 174 71 GLN N N 120.80 0 1 165 175 72 ASP H H 8.63 0 1 166 175 72 ASP CA C 53.76 0 1 167 175 72 ASP CB C 42.16 0 1 168 175 72 ASP N N 124.50 0 1 169 176 73 LEU H H 7.75 0 1 170 176 73 LEU CA C 58.17 0 1 171 176 73 LEU N N 126.40 0 1 172 177 74 LYS H H 7.98 0 1 173 177 74 LYS CA C 57.46 0 1 174 177 74 LYS CB C 30.57 0 1 175 177 74 LYS N N 112.70 0 1 176 178 75 ASP H H 7.94 0 1 177 178 75 ASP CA C 54.53 0 1 178 178 75 ASP CB C 41.07 0 1 179 178 75 ASP N N 119.90 0 1 180 179 76 GLY H H 7.55 0 1 181 179 76 GLY CA C 43.69 0 1 182 179 76 GLY N N 109.20 0 1 183 180 77 GLY H H 6.80 0 1 184 180 77 GLY CA C 44.62 0 1 185 180 77 GLY N N 106.70 0 1 186 181 78 PHE H H 8.08 0 1 187 181 78 PHE N N 124.90 0 1 188 182 79 ALA H H 8.18 0 1 189 182 79 ALA CA C 52.73 0 1 190 182 79 ALA CB C 20.60 0 1 191 182 79 ALA N N 124.10 0 1 192 183 80 PHE H H 8.54 0 1 193 183 80 PHE CA C 56.94 0 1 194 183 80 PHE CB C 38.63 0 1 195 183 80 PHE N N 122.50 0 1 196 186 83 THR H H 6.99 0 1 197 186 83 THR CA C 59.18 0 1 198 186 83 THR CB C 72.70 0 1 199 186 83 THR N N 114.90 0 1 200 187 84 ASN H H 8.31 0 1 201 187 84 ASN CA C 50.15 0 1 202 187 84 ASN N N 118.00 0 1 203 189 86 LEU H H 8.34 0 1 204 189 86 LEU CA C 55.75 0 1 205 189 86 LEU CB C 41.09 0 1 206 189 86 LEU N N 124.20 0 1 207 190 87 ILE H H 8.20 0 1 208 190 87 ILE CA C 59.28 0 1 209 190 87 ILE N N 121.20 0 1 210 191 88 SER H H 6.68 0 1 211 191 88 SER CA C 55.69 0 1 212 191 88 SER CB C 63.03 0 1 213 191 88 SER N N 112.30 0 1 214 193 90 MET H H 8.37 0 1 215 193 90 MET CA C 54.89 0 1 216 193 90 MET CB C 36.47 0 1 217 193 90 MET N N 120.00 0 1 218 194 91 THR H H 8.57 0 1 219 194 91 THR CA C 60.61 0 1 220 194 91 THR CB C 70.92 0 1 221 194 91 THR N N 116.50 0 1 222 195 92 LEU H H 8.41 0 1 223 195 92 LEU CA C 58.54 0 1 224 195 92 LEU CB C 40.50 0 1 225 195 92 LEU N N 123.30 0 1 226 196 93 ASN H H 8.70 0 1 227 196 93 ASN CA C 55.86 0 1 228 196 93 ASN CB C 36.95 0 1 229 196 93 ASN N N 116.00 0 1 230 197 94 GLY H H 8.25 0 1 231 197 94 GLY CA C 46.54 0 1 232 197 94 GLY N N 111.00 0 1 233 198 95 MET H H 8.83 0 1 234 198 95 MET CA C 59.84 0 1 235 198 95 MET CB C 33.97 0 1 236 198 95 MET N N 124.10 0 1 237 199 96 ARG H H 8.21 0 1 238 199 96 ARG CA C 60.70 0 1 239 199 96 ARG CB C 28.23 0 1 240 199 96 ARG N N 118.10 0 1 241 200 97 ASP H H 7.69 0 1 242 200 97 ASP CA C 56.78 0 1 243 200 97 ASP CB C 41.84 0 1 244 200 97 ASP N N 118.10 0 1 245 201 98 PHE H H 8.37 0 1 246 201 98 PHE CA C 60.72 0 1 247 201 98 PHE CB C 39.11 0 1 248 201 98 PHE N N 123.80 0 1 249 202 99 TYR H H 7.63 0 1 250 202 99 TYR CA C 58.10 0 1 251 202 99 TYR CB C 37.04 0 1 252 202 99 TYR N N 115.00 0 1 253 203 100 LYS H H 7.03 0 1 254 203 100 LYS CA C 58.95 0 1 255 203 100 LYS CB C 31.03 0 1 256 203 100 LYS N N 118.70 0 1 257 204 101 ASN H H 8.33 0 1 258 204 101 ASN CA C 52.75 0 1 259 204 101 ASN N N 116.20 0 1 260 205 102 ASN H H 8.10 0 1 261 205 102 ASN CA C 51.95 0 1 262 205 102 ASN CB C 38.51 0 1 263 205 102 ASN N N 121.20 0 1 264 206 103 GLU H H 8.75 0 1 265 206 103 GLU CA C 58.97 0 1 266 206 103 GLU CB C 28.83 0 1 267 206 103 GLU N N 124.30 0 1 268 207 104 TYR H H 7.89 0 1 269 207 104 TYR CA C 59.29 0 1 270 207 104 TYR CB C 37.64 0 1 271 207 104 TYR N N 117.50 0 1 272 208 105 VAL H H 7.26 0 1 273 208 105 VAL CA C 63.47 0 1 274 208 105 VAL CB C 31.89 0 1 275 208 105 VAL N N 116.50 0 1 276 209 106 LYS H H 7.84 0 1 277 209 106 LYS CA C 58.85 0 1 278 209 106 LYS CB C 30.49 0 1 279 209 106 LYS N N 116.50 0 1 280 210 107 ASN H H 7.31 0 1 281 210 107 ASN CA C 52.67 0 1 282 210 107 ASN CB C 39.38 0 1 283 210 107 ASN N N 115.70 0 1 284 211 108 LEU H H 7.20 0 1 285 211 108 LEU CA C 54.81 0 1 286 211 108 LEU CB C 42.98 0 1 287 211 108 LEU N N 121.30 0 1 288 212 109 ASP H H 7.69 0 1 289 212 109 ASP CA C 53.55 0 1 290 212 109 ASP CB C 41.84 0 1 291 212 109 ASP N N 118.10 0 1 292 213 110 GLU H H 9.03 0 1 293 213 110 GLU CA C 59.08 0 1 294 213 110 GLU CB C 28.22 0 1 295 213 110 GLU N N 117.50 0 1 296 214 111 LEU H H 7.78 0 1 297 214 111 LEU CA C 56.81 0 1 298 214 111 LEU CB C 38.74 0 1 299 214 111 LEU N N 117.50 0 1 300 215 112 THR H H 8.60 0 1 301 215 112 THR CA C 66.66 0 1 302 215 112 THR CB C 66.25 0 1 303 215 112 THR N N 120.10 0 1 304 216 113 LEU H H 8.64 0 1 305 216 113 LEU CA C 58.19 0 1 306 216 113 LEU CB C 40.58 0 1 307 216 113 LEU N N 121.30 0 1 308 217 114 CYS H H 7.31 0 1 309 217 114 CYS CA C 56.35 0 1 310 217 114 CYS CB C 33.77 0 1 311 217 114 CYS N N 115.50 0 1 312 218 115 SER H H 7.78 0 1 313 218 115 SER CA C 60.62 0 1 314 218 115 SER CB C 63.13 0 1 315 218 115 SER N N 111.80 0 1 316 219 116 ARG H H 8.92 0 1 317 219 116 ARG CA C 56.59 0 1 318 219 116 ARG CB C 27.43 0 1 319 219 116 ARG N N 119.60 0 1 320 220 117 HIS H H 9.02 0 1 321 220 117 HIS CA C 59.19 0 1 322 220 117 HIS CB C 30.61 0 1 323 220 117 HIS N N 123.10 0 1 324 221 118 ALA H H 8.01 0 1 325 221 118 ALA CA C 54.21 0 1 326 221 118 ALA CB C 19.37 0 1 327 221 118 ALA N N 120.60 0 1 328 222 119 GLY H H 7.64 0 1 329 222 119 GLY CA C 45.75 0 1 330 222 119 GLY N N 103.70 0 1 331 223 120 ASN H H 7.73 0 1 332 223 120 ASN CA C 52.75 0 1 333 223 120 ASN CB C 39.98 0 1 334 223 120 ASN N N 118.80 0 1 335 224 121 MET H H 7.40 0 1 336 224 121 MET CA C 53.93 0 1 337 224 121 MET CB C 34.08 0 1 338 224 121 MET N N 118.60 0 1 339 225 122 ASN H H 7.94 0 1 340 225 122 ASN CA C 53.49 0 1 341 225 122 ASN N N 120.80 0 1 342 238 135 ALA H H 8.47 0 1 343 238 135 ALA CA C 50.50 0 1 344 238 135 ALA CB C 24.57 0 1 345 238 135 ALA N N 118.10 0 1 346 239 136 VAL H H 8.96 0 1 347 239 136 VAL CA C 59.37 0 1 348 239 136 VAL N N 118.10 0 1 349 240 137 TYR H H 8.24 0 1 350 240 137 TYR CA C 56.36 0 1 351 240 137 TYR CB C 40.72 0 1 352 240 137 TYR N N 126.90 0 1 353 241 138 ASP H H 8.17 0 1 354 241 138 ASP CA C 51.21 0 1 355 241 138 ASP CB C 41.61 0 1 356 241 138 ASP N N 127.40 0 1 357 242 139 TYR H H 9.22 0 1 358 242 139 TYR CA C 61.79 0 1 359 242 139 TYR CB C 38.88 0 1 360 242 139 TYR N N 123.20 0 1 361 243 140 ASN H H 8.88 0 1 362 243 140 ASN CA C 56.47 0 1 363 243 140 ASN CB C 38.73 0 1 364 243 140 ASN N N 118.80 0 1 365 244 141 ASP H H 6.94 0 1 366 244 141 ASP CA C 52.82 0 1 367 244 141 ASP CB C 40.56 0 1 368 244 141 ASP N N 115.90 0 1 369 245 142 LYS H H 7.64 0 1 370 245 142 LYS CA C 56.80 0 1 371 245 142 LYS CB C 28.19 0 1 372 245 142 LYS N N 117.70 0 1 373 246 143 LYS H H 6.72 0 1 374 246 143 LYS CA C 54.72 0 1 375 246 143 LYS CB C 36.95 0 1 376 246 143 LYS N N 114.30 0 1 377 247 144 CYS H H 8.77 0 1 378 247 144 CYS CA C 53.73 0 1 379 247 144 CYS CB C 40.22 0 1 380 247 144 CYS N N 122.50 0 1 381 248 145 HIS H H 9.43 0 1 382 248 145 HIS CA C 54.37 0 1 383 248 145 HIS CB C 32.35 0 1 384 248 145 HIS N N 130.20 0 1 385 249 146 ILE H H 8.58 0 1 386 249 146 ILE CA C 61.80 0 1 387 249 146 ILE CB C 36.46 0 1 388 249 146 ILE N N 124.80 0 1 389 250 147 LEU H H 8.62 0 1 390 250 147 LEU CA C 53.93 0 1 391 250 147 LEU CB C 40.52 0 1 392 250 147 LEU N N 127.90 0 1 393 251 148 TYR H H 7.86 0 1 394 251 148 TYR CA C 61.12 0 1 395 251 148 TYR N N 120.70 0 1 396 252 149 ILE H H 7.85 0 1 397 252 149 ILE CA C 59.92 0 1 398 252 149 ILE N N 116.50 0 1 399 255 152 PHE H H 8.59 0 1 400 255 152 PHE CA C 55.15 0 1 401 255 152 PHE CB C 30.65 0 1 402 255 152 PHE N N 122.90 0 1 403 256 153 ARG H H 8.77 0 1 404 256 153 ARG CA C 61.53 0 1 405 256 153 ARG CB C 33.50 0 1 406 256 153 ARG N N 125.30 0 1 407 276 173 PHE H H 8.28 0 1 408 276 173 PHE CA C 55.11 0 1 409 276 173 PHE CB C 39.83 0 1 410 276 173 PHE N N 118.80 0 1 411 277 174 LYS H H 8.95 0 1 412 277 174 LYS CA C 52.67 0 1 413 277 174 LYS CB C 29.42 0 1 414 277 174 LYS N N 117.60 0 1 415 279 176 ALA H H 8.62 0 1 416 279 176 ALA CA C 52.22 0 1 417 279 176 ALA CB C 22.98 0 1 418 279 176 ALA N N 121.80 0 1 419 280 177 LYS H H 7.95 0 1 420 280 177 LYS CA C 55.70 0 1 421 280 177 LYS CB C 31.82 0 1 422 280 177 LYS N N 116.60 0 1 423 281 178 ASP H H 7.21 0 1 424 281 178 ASP CA C 53.20 0 1 425 281 178 ASP CB C 46.41 0 1 426 281 178 ASP N N 118.80 0 1 427 283 180 LEU H H 8.93 0 1 428 283 180 LEU CA C 56.49 0 1 429 283 180 LEU CB C 40.59 0 1 430 283 180 LEU N N 118.80 0 1 431 284 181 PHE H H 7.38 0 1 432 284 181 PHE CA C 51.96 0 1 433 284 181 PHE CB C 39.33 0 1 434 284 181 PHE N N 115.90 0 1 435 285 182 GLU H H 7.09 0 1 436 285 182 GLU CA C 59.99 0 1 437 285 182 GLU CB C 29.27 0 1 438 285 182 GLU N N 120.40 0 1 439 286 183 ASN H H 8.37 0 1 440 286 183 ASN CA C 52.84 0 1 441 286 183 ASN CB C 39.15 0 1 442 286 183 ASN N N 113.20 0 1 443 287 184 TYR H H 8.17 0 1 444 287 184 TYR CA C 53.61 0 1 445 287 184 TYR CB C 37.70 0 1 446 287 184 TYR N N 120.20 0 1 447 288 185 THR H H 8.53 0 1 448 288 185 THR CA C 60.90 0 1 449 288 185 THR N N 116.50 0 1 450 289 186 TYR H H 8.55 0 1 451 289 186 TYR CA C 58.92 0 1 452 289 186 TYR CB C 40.37 0 1 453 289 186 TYR N N 128.90 0 1 454 290 187 LEU H H 9.03 0 1 455 290 187 LEU CA C 53.02 0 1 456 290 187 LEU CB C 42.85 0 1 457 290 187 LEU N N 130.90 0 1 458 293 190 ASN H H 8.37 0 1 459 293 190 ASN CA C 50.89 0 1 460 293 190 ASN CB C 38.92 0 1 461 293 190 ASN N N 119.60 0 1 462 294 191 VAL H H 6.50 0 1 463 294 191 VAL CA C 64.06 0 1 464 294 191 VAL CB C 30.69 0 1 465 294 191 VAL N N 121.40 0 1 466 295 192 VAL H H 8.23 0 1 467 295 192 VAL CA C 61.03 0 1 468 295 192 VAL CB C 32.96 0 1 469 295 192 VAL N N 123.60 0 1 470 296 193 ASP H H 8.38 0 1 471 296 193 ASP CA C 55.13 0 1 472 296 193 ASP CB C 39.85 0 1 473 296 193 ASP N N 118.20 0 1 474 297 194 ASN H H 8.12 0 1 475 297 194 ASN CA C 51.09 0 1 476 297 194 ASN CB C 35.83 0 1 477 297 194 ASN N N 115.80 0 1 478 298 195 TRP H H 7.58 0 1 479 298 195 TRP CA C 59.92 0 1 480 298 195 TRP CB C 27.16 0 1 481 298 195 TRP N N 121.50 0 1 482 299 196 GLU H H 7.17 0 1 483 299 196 GLU CA C 59.25 0 1 484 299 196 GLU CB C 27.82 0 1 485 299 196 GLU N N 123.00 0 1 486 300 197 GLU H H 7.47 0 1 487 300 197 GLU CA C 57.09 0 1 488 300 197 GLU CB C 30.56 0 1 489 300 197 GLU N N 116.50 0 1 490 301 198 VAL H H 7.05 0 1 491 301 198 VAL CA C 61.65 0 1 492 301 198 VAL CB C 32.74 0 1 493 301 198 VAL N N 109.60 0 1 494 302 199 CYS H H 8.21 0 1 495 302 199 CYS CA C 54.12 0 1 496 302 199 CYS CB C 42.81 0 1 497 302 199 CYS N N 117.00 0 1 498 304 201 ARG H H 8.07 0 1 499 304 201 ARG CA C 58.42 0 1 500 304 201 ARG CB C 31.57 0 1 501 304 201 ARG N N 120.70 0 1 502 305 202 LYS H H 8.19 0 1 503 305 202 LYS CA C 55.66 0 1 504 305 202 LYS CB C 33.00 0 1 505 305 202 LYS N N 116.10 0 1 506 306 203 ASN H H 8.61 0 1 507 306 203 ASN CA C 53.97 0 1 508 306 203 ASN CB C 39.91 0 1 509 306 203 ASN N N 121.60 0 1 510 307 204 LEU H H 8.17 0 1 511 307 204 LEU CA C 53.00 0 1 512 307 204 LEU CB C 42.05 0 1 513 307 204 LEU N N 120.90 0 1 514 308 205 GLU H H 8.84 0 1 515 308 205 GLU CA C 56.73 0 1 516 308 205 GLU CB C 29.88 0 1 517 308 205 GLU N N 125.10 0 1 518 309 206 ASN H H 8.19 0 1 519 309 206 ASN CA C 54.67 0 1 520 309 206 ASN CB C 36.18 0 1 521 309 206 ASN N N 119.10 0 1 522 310 207 ALA H H 7.57 0 1 523 310 207 ALA CA C 50.52 0 1 524 310 207 ALA CB C 22.11 0 1 525 310 207 ALA N N 122.30 0 1 526 311 208 LYS H H 8.14 0 1 527 311 208 LYS CA C 52.20 0 1 528 311 208 LYS CB C 35.73 0 1 529 311 208 LYS N N 114.70 0 1 530 312 209 PHE H H 9.72 0 1 531 312 209 PHE CA C 57.92 0 1 532 312 209 PHE CB C 40.26 0 1 533 312 209 PHE N N 124.30 0 1 534 313 210 GLY H H 8.00 0 1 535 313 210 GLY CA C 43.90 0 1 536 313 210 GLY N N 108.60 0 1 537 314 211 LEU H H 8.78 0 1 538 314 211 LEU CA C 52.38 0 1 539 314 211 LEU CB C 44.67 0 1 540 314 211 LEU N N 119.30 0 1 541 315 212 TRP H H 8.08 0 1 542 315 212 TRP CA C 56.94 0 1 543 315 212 TRP CB C 29.59 0 1 544 315 212 TRP N N 127.70 0 1 545 316 213 VAL H H 8.61 0 1 546 316 213 VAL CA C 61.21 0 1 547 316 213 VAL CB C 34.01 0 1 548 316 213 VAL N N 131.50 0 1 549 317 214 ASP H H 8.78 0 1 550 317 214 ASP CA C 54.86 0 1 551 317 214 ASP CB C 39.27 0 1 552 317 214 ASP N N 127.40 0 1 553 318 215 GLY H H 6.70 0 1 554 318 215 GLY CA C 45.79 0 1 555 318 215 GLY N N 133.10 0 1 556 319 216 ASN H H 6.64 0 1 557 319 216 ASN CA C 51.07 0 1 558 319 216 ASN CB C 41.96 0 1 559 319 216 ASN N N 116.90 0 1 560 320 217 CYS H H 8.32 0 1 561 320 217 CYS CA C 54.20 0 1 562 320 217 CYS CB C 39.33 0 1 563 320 217 CYS N N 122.00 0 1 564 321 218 GLU H H 8.83 0 1 565 321 218 GLU CA C 54.14 0 1 566 321 218 GLU CB C 31.20 0 1 567 321 218 GLU N N 129.50 0 1 568 322 219 ASP H H 8.07 0 1 569 322 219 ASP CB C 40.59 0 1 570 322 219 ASP N N 118.00 0 1 571 323 220 ILE H H 8.28 0 1 572 323 220 ILE CA C 57.21 0 1 573 323 220 ILE CB C 35.37 0 1 574 323 220 ILE N N 122.20 0 1 575 325 222 HIS H H 7.35 0 1 576 325 222 HIS CA C 54.88 0 1 577 325 222 HIS CB C 29.45 0 1 578 325 222 HIS N N 115.70 0 1 579 326 223 VAL H H 8.04 0 1 580 326 223 VAL CA C 59.28 0 1 581 326 223 VAL CB C 34.04 0 1 582 326 223 VAL N N 117.30 0 1 583 327 224 ASN H H 9.29 0 1 584 327 224 ASN CA C 51.91 0 1 585 327 224 ASN CB C 39.61 0 1 586 327 224 ASN N N 122.00 0 1 587 328 225 GLU H H 8.48 0 1 588 328 225 GLU CA C 55.62 0 1 589 328 225 GLU CB C 31.80 0 1 590 328 225 GLU N N 124.30 0 1 591 329 226 PHE H H 8.70 0 1 592 329 226 PHE CA C 55.86 0 1 593 329 226 PHE CB C 43.49 0 1 594 329 226 PHE N N 123.40 0 1 595 330 227 SER H H 9.03 0 1 596 330 227 SER CA C 59.52 0 1 597 330 227 SER CB C 63.27 0 1 598 330 227 SER N N 119.90 0 1 599 331 228 ALA H H 8.08 0 1 600 331 228 ALA CA C 51.46 0 1 601 331 228 ALA CB C 20.85 0 1 602 331 228 ALA N N 124.90 0 1 603 333 230 ASN H H 7.26 0 1 604 333 230 ASN CA C 51.85 0 1 605 333 230 ASN CB C 41.56 0 1 606 333 230 ASN N N 114.10 0 1 607 334 231 ASP H H 8.24 0 1 608 334 231 ASP CA C 57.27 0 1 609 334 231 ASP CB C 40.68 0 1 610 334 231 ASP N N 120.20 0 1 611 335 232 LEU H H 7.57 0 1 612 335 232 LEU CA C 59.92 0 1 613 335 232 LEU CB C 37.85 0 1 614 335 232 LEU N N 121.50 0 1 615 336 233 GLU H H 8.46 0 1 616 336 233 GLU CA C 58.84 0 1 617 336 233 GLU CB C 28.58 0 1 618 336 233 GLU N N 118.20 0 1 619 338 235 ASN H H 8.96 0 1 620 338 235 ASN CA C 59.15 0 1 621 338 235 ASN CB C 39.54 0 1 622 338 235 ASN N N 120.20 0 1 623 339 236 LYS H H 8.59 0 1 624 339 236 LYS CA C 60.04 0 1 625 339 236 LYS CB C 31.69 0 1 626 339 236 LYS N N 118.00 0 1 627 340 237 LEU H H 7.68 0 1 628 340 237 LEU CA C 57.64 0 1 629 340 237 LEU CB C 41.66 0 1 630 340 237 LEU N N 121.90 0 1 631 341 238 VAL H H 8.26 0 1 632 341 238 VAL CA C 65.90 0 1 633 341 238 VAL CB C 30.51 0 1 634 341 238 VAL N N 119.50 0 1 635 342 239 PHE H H 8.44 0 1 636 342 239 PHE CA C 62.19 0 1 637 342 239 PHE CB C 38.56 0 1 638 342 239 PHE N N 116.70 0 1 639 343 240 GLU H H 8.32 0 1 640 343 240 GLU CA C 58.61 0 1 641 343 240 GLU CB C 28.23 0 1 642 343 240 GLU N N 120.10 0 1 643 344 241 LEU H H 7.44 0 1 644 344 241 LEU CA C 54.47 0 1 645 344 241 LEU CB C 41.15 0 1 646 344 241 LEU N N 120.00 0 1 647 345 242 SER H H 7.23 0 1 648 345 242 SER CA C 59.18 0 1 649 345 242 SER CB C 65.05 0 1 650 345 242 SER N N 118.40 0 1 651 346 243 ALA H H 7.70 0 1 652 346 243 ALA CA C 52.88 0 1 653 346 243 ALA CB C 17.84 0 1 654 346 243 ALA N N 118.30 0 1 655 347 244 SER H H 8.53 0 1 656 347 244 SER CA C 55.69 0 1 657 347 244 SER CB C 64.30 0 1 658 347 244 SER N N 117.40 0 1 659 348 245 ASP H H 8.40 0 1 660 348 245 ASP CA C 55.61 0 1 661 348 245 ASP N N 128.80 0 1 662 361 258 GLU H H 8.06 0 1 663 361 258 GLU CA C 57.52 0 1 664 361 258 GLU CB C 29.22 0 1 665 361 258 GLU N N 120.20 0 1 666 362 259 LYS H H 7.79 0 1 667 362 259 LYS CA C 57.25 0 1 668 362 259 LYS CB C 31.72 0 1 669 362 259 LYS N N 120.10 0 1 670 363 260 ILE H H 7.67 0 1 671 363 260 ILE CA C 61.98 0 1 672 363 260 ILE CB C 37.48 0 1 673 363 260 ILE N N 120.50 0 1 674 394 291 GLY H H 7.92 0 1 675 394 291 GLY CA C 44.98 0 1 676 394 291 GLY N N 103.90 0 1 677 395 292 LYS H H 7.44 0 1 678 395 292 LYS CA C 56.52 0 1 679 395 292 LYS CB C 31.91 0 1 680 395 292 LYS N N 121.70 0 1 681 396 293 GLY H H 8.21 0 1 682 396 293 GLY CA C 44.90 0 1 683 396 293 GLY N N 111.40 0 1 684 397 294 TYR H H 7.14 0 1 685 397 294 TYR CA C 56.96 0 1 686 397 294 TYR CB C 34.74 0 1 687 397 294 TYR N N 119.20 0 1 688 398 295 ASN H H 6.31 0 1 689 398 295 ASN CA C 52.64 0 1 690 398 295 ASN CB C 39.44 0 1 691 398 295 ASN N N 113.90 0 1 692 399 296 TRP H H 7.51 0 1 693 399 296 TRP CA C 57.68 0 1 694 399 296 TRP CB C 34.06 0 1 695 399 296 TRP N N 119.20 0 1 696 400 297 GLY H H 8.56 0 1 697 400 297 GLY CA C 44.82 0 1 698 400 297 GLY N N 104.70 0 1 699 401 298 ASN H H 9.72 0 1 700 401 298 ASN CA C 51.26 0 1 701 401 298 ASN CB C 41.26 0 1 702 401 298 ASN N N 121.70 0 1 703 402 299 TYR H H 10.04 0 1 704 402 299 TYR CA C 55.71 0 1 705 402 299 TYR CB C 38.76 0 1 706 402 299 TYR N N 125.80 0 1 707 403 300 ASN H H 8.81 0 1 708 403 300 ASN CA C 50.91 0 1 709 403 300 ASN CB C 37.63 0 1 710 403 300 ASN N N 127.50 0 1 711 404 301 ARG H H 8.05 0 1 712 404 301 ARG CA C 56.20 0 1 713 404 301 ARG CB C 29.70 0 1 714 404 301 ARG N N 122.50 0 1 715 405 302 GLU H H 8.29 0 1 716 405 302 GLU CA C 57.90 0 1 717 405 302 GLU CB C 29.33 0 1 718 405 302 GLU N N 121.50 0 1 719 406 303 THR H H 7.58 0 1 720 406 303 THR CA C 60.80 0 1 721 406 303 THR CB C 68.60 0 1 722 406 303 THR N N 109.30 0 1 723 407 304 GLN H H 7.66 0 1 724 407 304 GLN CB C 40.66 0 1 725 407 304 GLN N N 117.70 0 1 726 408 305 LYS H H 7.30 0 1 727 408 305 LYS CA C 53.26 0 1 728 408 305 LYS CB C 34.98 0 1 729 408 305 LYS N N 118.00 0 1 730 409 306 CYS H H 9.76 0 1 731 409 306 CYS CA C 53.42 0 1 732 409 306 CYS CB C 37.72 0 1 733 409 306 CYS N N 124.70 0 1 734 410 307 GLU H H 9.43 0 1 735 410 307 GLU CA C 55.24 0 1 736 410 307 GLU CB C 28.81 0 1 737 410 307 GLU N N 130.80 0 1 738 411 308 ILE H H 9.07 0 1 739 411 308 ILE CA C 62.66 0 1 740 411 308 ILE CB C 39.40 0 1 741 411 308 ILE N N 125.50 0 1 742 412 309 PHE H H 8.36 0 1 743 412 309 PHE CA C 56.41 0 1 744 412 309 PHE CB C 41.54 0 1 745 412 309 PHE N N 122.90 0 1 746 413 310 ASN H H 8.13 0 1 747 413 310 ASN CA C 52.16 0 1 748 413 310 ASN CB C 37.04 0 1 749 413 310 ASN N N 115.00 0 1 750 414 311 VAL H H 7.00 0 1 751 414 311 VAL CA C 58.73 0 1 752 414 311 VAL CB C 33.26 0 1 753 414 311 VAL N N 118.80 0 1 754 415 312 LYS H H 7.48 0 1 755 415 312 LYS CA C 52.48 0 1 756 415 312 LYS CB C 30.50 0 1 757 415 312 LYS N N 122.20 0 1 758 417 314 THR H H 8.19 0 1 759 417 314 THR CA C 59.66 0 1 760 417 314 THR CB C 69.80 0 1 761 417 314 THR N N 106.10 0 1 762 418 315 CYS H H 7.96 0 1 763 418 315 CYS CA C 55.96 0 1 764 418 315 CYS CB C 44.50 0 1 765 418 315 CYS N N 116.50 0 1 766 419 316 LEU H H 7.89 0 1 767 419 316 LEU CA C 52.47 0 1 768 419 316 LEU N N 114.30 0 1 769 420 317 ILE H H 8.86 0 1 770 420 317 ILE CA C 59.86 0 1 771 420 317 ILE CB C 40.28 0 1 772 420 317 ILE N N 123.30 0 1 773 421 318 ASN H H 8.55 0 1 774 421 318 ASN CA C 53.44 0 1 775 421 318 ASN CB C 38.11 0 1 776 421 318 ASN N N 126.00 0 1 777 422 319 ASN H H 7.59 0 1 778 422 319 ASN CA C 53.89 0 1 779 422 319 ASN CB C 39.87 0 1 780 422 319 ASN N N 124.80 0 1 781 423 320 SER H H 8.76 0 1 782 423 320 SER CA C 60.35 0 1 783 423 320 SER N N 122.20 0 1 784 424 321 SER H H 8.89 0 1 785 424 321 SER CA C 59.66 0 1 786 424 321 SER CB C 62.91 0 1 787 424 321 SER N N 117.70 0 1 788 425 322 TYR H H 7.52 0 1 789 425 322 TYR CA C 57.66 0 1 790 425 322 TYR CB C 44.14 0 1 791 425 322 TYR N N 118.40 0 1 792 426 323 ILE H H 9.01 0 1 793 426 323 ILE CA C 60.38 0 1 794 426 323 ILE CB C 42.12 0 1 795 426 323 ILE N N 119.60 0 1 796 427 324 ALA H H 8.35 0 1 797 427 324 ALA CA C 51.47 0 1 798 427 324 ALA CB C 17.11 0 1 799 427 324 ALA N N 132.40 0 1 800 428 325 THR H H 9.43 0 1 801 428 325 THR CA C 59.96 0 1 802 428 325 THR CB C 72.26 0 1 803 428 325 THR N N 120.30 0 1 804 429 326 THR H H 7.42 0 1 805 429 326 THR CA C 59.46 0 1 806 429 326 THR CB C 73.34 0 1 807 429 326 THR N N 112.30 0 1 808 430 327 ALA H H 8.60 0 1 809 430 327 ALA CA C 54.63 0 1 810 430 327 ALA CB C 20.18 0 1 811 430 327 ALA N N 120.80 0 1 812 431 328 LEU H H 7.07 0 1 813 431 328 LEU CA C 56.54 0 1 814 431 328 LEU CB C 43.44 0 1 815 431 328 LEU N N 114.60 0 1 816 432 329 SER H H 6.94 0 1 817 432 329 SER CA C 58.84 0 1 818 432 329 SER CB C 63.37 0 1 819 432 329 SER N N 111.30 0 1 820 433 330 HIS H H 8.85 0 1 821 433 330 HIS CA C 56.61 0 1 822 433 330 HIS CB C 31.60 0 1 823 433 330 HIS N N 123.90 0 1 824 435 332 ILE H H 8.81 0 1 825 435 332 ILE CA C 60.54 0 1 826 435 332 ILE CB C 41.55 0 1 827 435 332 ILE N N 112.10 0 1 828 436 333 GLU H H 8.23 0 1 829 436 333 GLU CA C 57.99 0 1 830 436 333 GLU CB C 30.69 0 1 831 436 333 GLU N N 121.80 0 1 832 437 334 VAL H H 8.23 0 1 833 437 334 VAL CA C 59.12 0 1 834 437 334 VAL CB C 35.43 0 1 835 437 334 VAL N N 118.30 0 1 836 438 335 GLU H H 8.66 0 1 837 438 335 GLU CA C 57.23 0 1 838 438 335 GLU CB C 31.25 0 1 839 438 335 GLU N N 128.50 0 1 stop_ save_