data_34121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of lysostaphin ; _BMRB_accession_number 34121 _BMRB_flat_file_name bmr34121.str _Entry_type original _Submission_date 2017-04-07 _Accession_date 2017-04-07 _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 Tossavainen H. . . 2 Raulinaitis V. . . 3 Permi P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1384 "13C chemical shifts" 763 "15N chemical shifts" 245 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-09 update BMRB 'update entry citation' 2018-07-07 update BMRB 'update entry citation' 2018-05-10 original author 'original release' stop_ _Original_release_date 2017-04-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Functional Insights Into Lysostaphin-Substrate Interaction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30018958 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tossavainen Helena . . 2 Raulinaitis Vytas . . 3 Kauppinen Linda . . 4 Pentikainen Ulla . . 5 Maaheimo Hannu . . 6 Permi Perttu . . stop_ _Journal_abbreviation 'Front. Mol. Biosci.' _Journal_volume 5 _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 60 _Page_last 60 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Lysostaphin (E.C.3.4.24.75)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 26876.070 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 245 _Mol_residue_sequence ; GSHEHSAQWLNNYKKGYGYG PYPLGINGGMHYGVDFFMNI GTPVKAISSGKIVEAGWSNY GGGNQIGLIENDGVHRQWYM HLSKYNVKVGDYVKAGQIIG WSGSTGYSTAPHLHFQRMVN SFSNSTAQDPMPFLKSAGYG KAGGTVTPTPNTGWKTNKYG TLYKSESASFTPNTDIITRT TGPFRSMPQSGVLKAGQTIH YDEVMKQDGHVWVGYTGNSG QRIYLPVRTWNKSTNTLGVL WGTIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 249 GLY 2 250 SER 3 251 HIS 4 252 GLU 5 253 HIS 6 254 SER 7 255 ALA 8 256 GLN 9 257 TRP 10 258 LEU 11 259 ASN 12 260 ASN 13 261 TYR 14 262 LYS 15 263 LYS 16 264 GLY 17 265 TYR 18 266 GLY 19 267 TYR 20 268 GLY 21 269 PRO 22 270 TYR 23 271 PRO 24 272 LEU 25 273 GLY 26 274 ILE 27 275 ASN 28 276 GLY 29 277 GLY 30 278 MET 31 279 HIS 32 280 TYR 33 281 GLY 34 282 VAL 35 283 ASP 36 284 PHE 37 285 PHE 38 286 MET 39 287 ASN 40 288 ILE 41 289 GLY 42 290 THR 43 291 PRO 44 292 VAL 45 293 LYS 46 294 ALA 47 295 ILE 48 296 SER 49 297 SER 50 298 GLY 51 299 LYS 52 300 ILE 53 301 VAL 54 302 GLU 55 303 ALA 56 304 GLY 57 305 TRP 58 306 SER 59 307 ASN 60 308 TYR 61 309 GLY 62 310 GLY 63 311 GLY 64 312 ASN 65 313 GLN 66 314 ILE 67 315 GLY 68 316 LEU 69 317 ILE 70 318 GLU 71 319 ASN 72 320 ASP 73 321 GLY 74 322 VAL 75 323 HIS 76 324 ARG 77 325 GLN 78 326 TRP 79 327 TYR 80 328 MET 81 329 HIS 82 330 LEU 83 331 SER 84 332 LYS 85 333 TYR 86 334 ASN 87 335 VAL 88 336 LYS 89 337 VAL 90 338 GLY 91 339 ASP 92 340 TYR 93 341 VAL 94 342 LYS 95 343 ALA 96 344 GLY 97 345 GLN 98 346 ILE 99 347 ILE 100 348 GLY 101 349 TRP 102 350 SER 103 351 GLY 104 352 SER 105 353 THR 106 354 GLY 107 355 TYR 108 356 SER 109 357 THR 110 358 ALA 111 359 PRO 112 360 HIS 113 361 LEU 114 362 HIS 115 363 PHE 116 364 GLN 117 365 ARG 118 366 MET 119 367 VAL 120 368 ASN 121 369 SER 122 370 PHE 123 371 SER 124 372 ASN 125 373 SER 126 374 THR 127 375 ALA 128 376 GLN 129 377 ASP 130 378 PRO 131 379 MET 132 380 PRO 133 381 PHE 134 382 LEU 135 383 LYS 136 384 SER 137 385 ALA 138 386 GLY 139 387 TYR 140 388 GLY 141 389 LYS 142 390 ALA 143 391 GLY 144 392 GLY 145 393 THR 146 394 VAL 147 395 THR 148 396 PRO 149 397 THR 150 398 PRO 151 399 ASN 152 400 THR 153 401 GLY 154 402 TRP 155 403 LYS 156 404 THR 157 405 ASN 158 406 LYS 159 407 TYR 160 408 GLY 161 409 THR 162 410 LEU 163 411 TYR 164 412 LYS 165 413 SER 166 414 GLU 167 415 SER 168 416 ALA 169 417 SER 170 418 PHE 171 419 THR 172 420 PRO 173 421 ASN 174 422 THR 175 423 ASP 176 424 ILE 177 425 ILE 178 426 THR 179 427 ARG 180 428 THR 181 429 THR 182 430 GLY 183 431 PRO 184 432 PHE 185 433 ARG 186 434 SER 187 435 MET 188 436 PRO 189 437 GLN 190 438 SER 191 439 GLY 192 440 VAL 193 441 LEU 194 442 LYS 195 443 ALA 196 444 GLY 197 445 GLN 198 446 THR 199 447 ILE 200 448 HIS 201 449 TYR 202 450 ASP 203 451 GLU 204 452 VAL 205 453 MET 206 454 LYS 207 455 GLN 208 456 ASP 209 457 GLY 210 458 HIS 211 459 VAL 212 460 TRP 213 461 VAL 214 462 GLY 215 463 TYR 216 464 THR 217 465 GLY 218 466 ASN 219 467 SER 220 468 GLY 221 469 GLN 222 470 ARG 223 471 ILE 224 472 TYR 225 473 LEU 226 474 PRO 227 475 VAL 228 476 ARG 229 477 THR 230 478 TRP 231 479 ASN 232 480 LYS 233 481 SER 234 482 THR 235 483 ASN 236 484 THR 237 485 LEU 238 486 GLY 239 487 VAL 240 488 LEU 241 489 TRP 242 490 GLY 243 491 THR 244 492 ILE 245 493 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Staphylococcus simulans' 1286 Bacteria . Staphylococcus simulans lss 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.36 mM [U-13C; U-15N] lysostaphin, 20 mM Bis-Tris, 0.36 mM ZnCl2, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.36 mM '[U-13C; U-15N]' Bis-Tris 20 mM 'natural abundance' $entity_ZN 0.36 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.47 mM [U-13C; U-15N] lysostaphin, 20 mM Bis-Tris, 0.36 mM ZnCl2, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.47 mM '[U-13C; U-15N]' Bis-Tris 20 mM 'natural abundance' $entity_ZN 0.36 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 0 na indirect . . . 0.25144953 water H 1 protons ppm 4.67 internal direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '2D (HB)CB(CGCDCE)HE' '2D (HB)CB(CGCD)HD' '3D 1H-13C NOESY aliphatic' '3D HCCH-COSY' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 251 3 HIS HA H 4.695 0.020 1 2 251 3 HIS HB2 H 3.175 0.020 2 3 251 3 HIS HB3 H 3.041 0.020 2 4 251 3 HIS HD2 H 7.041 0.020 1 5 251 3 HIS CA C 57.630 0.400 1 6 251 3 HIS CB C 32.138 0.400 1 7 252 4 GLU H H 8.135 0.020 1 8 252 4 GLU HA H 4.151 0.020 1 9 252 4 GLU HB2 H 1.781 0.020 2 10 252 4 GLU HB3 H 1.781 0.020 2 11 252 4 GLU HG2 H 2.004 0.020 2 12 252 4 GLU HG3 H 2.004 0.020 2 13 252 4 GLU CA C 58.620 0.400 1 14 252 4 GLU CB C 32.003 0.400 1 15 252 4 GLU CG C 37.620 0.400 1 16 252 4 GLU N N 121.034 0.400 1 17 253 5 HIS H H 7.465 0.020 1 18 253 5 HIS HA H 5.678 0.020 1 19 253 5 HIS HB2 H 2.760 0.020 2 20 253 5 HIS HB3 H 2.693 0.020 2 21 253 5 HIS HD2 H 6.967 0.020 1 22 253 5 HIS HE1 H 7.894 0.020 1 23 253 5 HIS CA C 55.663 0.400 1 24 253 5 HIS CB C 35.949 0.400 1 25 253 5 HIS CD2 C 120.587 0.400 1 26 253 5 HIS CE1 C 140.841 0.400 1 27 253 5 HIS N N 115.796 0.400 1 28 254 6 SER H H 9.880 0.020 1 29 254 6 SER HA H 4.908 0.020 1 30 254 6 SER HB2 H 3.825 0.020 2 31 254 6 SER HB3 H 3.769 0.020 2 32 254 6 SER CA C 59.800 0.400 1 33 254 6 SER CB C 65.534 0.400 1 34 254 6 SER N N 115.292 0.400 1 35 255 7 ALA H H 8.885 0.020 1 36 255 7 ALA HA H 4.585 0.020 1 37 255 7 ALA HB H 1.098 0.020 1 38 255 7 ALA CA C 51.937 0.400 1 39 255 7 ALA CB C 23.212 0.400 1 40 255 7 ALA N N 127.839 0.400 1 41 256 8 GLN H H 8.417 0.020 1 42 256 8 GLN HA H 3.779 0.020 1 43 256 8 GLN HB2 H 2.120 0.020 2 44 256 8 GLN HB3 H 2.120 0.020 2 45 256 8 GLN HG2 H 2.564 0.020 2 46 256 8 GLN HG3 H 2.564 0.020 2 47 256 8 GLN HE21 H 7.494 0.020 2 48 256 8 GLN HE22 H 6.932 0.020 2 49 256 8 GLN CA C 60.981 0.400 1 50 256 8 GLN CB C 29.305 0.400 1 51 256 8 GLN CG C 35.742 0.400 1 52 256 8 GLN N N 119.702 0.400 1 53 256 8 GLN NE2 N 110.924 0.400 1 54 257 9 TRP H H 8.436 0.020 1 55 257 9 TRP HA H 4.357 0.020 1 56 257 9 TRP HB2 H 3.716 0.020 2 57 257 9 TRP HB3 H 3.109 0.020 2 58 257 9 TRP HD1 H 7.467 0.020 1 59 257 9 TRP HE1 H 8.491 0.020 1 60 257 9 TRP HE3 H 7.779 0.020 1 61 257 9 TRP HZ2 H 7.502 0.020 1 62 257 9 TRP HZ3 H 7.195 0.020 1 63 257 9 TRP HH2 H 6.915 0.020 1 64 257 9 TRP CA C 59.960 0.400 1 65 257 9 TRP CB C 28.086 0.400 1 66 257 9 TRP CD1 C 129.316 0.400 1 67 257 9 TRP CE3 C 123.436 0.400 1 68 257 9 TRP CZ2 C 115.912 0.400 1 69 257 9 TRP CZ3 C 119.882 0.400 1 70 257 9 TRP CH2 C 125.083 0.400 1 71 257 9 TRP N N 117.798 0.400 1 72 257 9 TRP NE1 N 126.972 0.400 1 73 258 10 LEU H H 6.613 0.020 1 74 258 10 LEU HA H 3.503 0.020 1 75 258 10 LEU HB2 H 1.244 0.020 2 76 258 10 LEU HB3 H 0.391 0.020 2 77 258 10 LEU HG H -0.706 0.020 1 78 258 10 LEU HD1 H -0.234 0.020 2 79 258 10 LEU HD2 H -0.963 0.020 2 80 258 10 LEU CA C 57.567 0.400 1 81 258 10 LEU CB C 42.637 0.400 1 82 258 10 LEU CG C 27.297 0.400 1 83 258 10 LEU CD1 C 26.634 0.400 1 84 258 10 LEU CD2 C 22.250 0.400 1 85 258 10 LEU N N 119.643 0.400 1 86 259 11 ASN H H 7.918 0.020 1 87 259 11 ASN HA H 4.461 0.020 1 88 259 11 ASN HB2 H 2.834 0.020 2 89 259 11 ASN HB3 H 2.718 0.020 2 90 259 11 ASN HD21 H 7.522 0.020 2 91 259 11 ASN HD22 H 6.660 0.020 2 92 259 11 ASN CA C 57.174 0.400 1 93 259 11 ASN CB C 39.684 0.400 1 94 259 11 ASN N N 115.873 0.400 1 95 259 11 ASN ND2 N 109.700 0.400 1 96 260 12 ASN H H 7.101 0.020 1 97 260 12 ASN HA H 4.524 0.020 1 98 260 12 ASN HB2 H 2.484 0.020 2 99 260 12 ASN HB3 H 2.186 0.020 2 100 260 12 ASN HD21 H 7.460 0.020 2 101 260 12 ASN HD22 H 6.979 0.020 2 102 260 12 ASN CA C 55.237 0.400 1 103 260 12 ASN CB C 40.434 0.400 1 104 260 12 ASN N N 113.539 0.400 1 105 260 12 ASN ND2 N 112.867 0.400 1 106 261 13 TYR H H 7.517 0.020 1 107 261 13 TYR HA H 4.898 0.020 1 108 261 13 TYR HB2 H 3.784 0.020 2 109 261 13 TYR HB3 H 2.551 0.020 2 110 261 13 TYR HD1 H 7.277 0.020 1 111 261 13 TYR HD2 H 7.277 0.020 1 112 261 13 TYR HE1 H 7.197 0.020 1 113 261 13 TYR HE2 H 7.197 0.020 1 114 261 13 TYR CA C 59.293 0.400 1 115 261 13 TYR CB C 41.889 0.400 1 116 261 13 TYR CD1 C 135.342 0.400 1 117 261 13 TYR CE1 C 119.910 0.400 1 118 261 13 TYR N N 118.558 0.400 1 119 262 14 LYS H H 9.047 0.020 1 120 262 14 LYS HA H 4.386 0.020 1 121 262 14 LYS HB2 H 2.034 0.020 2 122 262 14 LYS HB3 H 2.034 0.020 2 123 262 14 LYS HG2 H 1.669 0.020 2 124 262 14 LYS HG3 H 1.554 0.020 2 125 262 14 LYS CA C 58.106 0.400 1 126 262 14 LYS CB C 35.168 0.400 1 127 262 14 LYS CG C 26.656 0.400 1 128 262 14 LYS N N 123.608 0.400 1 129 263 15 LYS H H 8.615 0.020 1 130 263 15 LYS HA H 4.215 0.020 1 131 263 15 LYS HB2 H 1.745 0.020 2 132 263 15 LYS HB3 H 1.745 0.020 2 133 263 15 LYS HG2 H 1.451 0.020 2 134 263 15 LYS HG3 H 0.891 0.020 2 135 263 15 LYS HD2 H 1.623 0.020 2 136 263 15 LYS HD3 H 1.623 0.020 2 137 263 15 LYS CA C 57.970 0.400 1 138 263 15 LYS CB C 34.699 0.400 1 139 263 15 LYS CG C 24.273 0.400 1 140 263 15 LYS CD C 30.308 0.400 1 141 263 15 LYS N N 126.985 0.400 1 142 264 16 GLY H H 8.234 0.020 1 143 264 16 GLY HA2 H 4.322 0.020 2 144 264 16 GLY HA3 H 3.134 0.020 2 145 264 16 GLY CA C 45.624 0.400 1 146 264 16 GLY N N 115.637 0.400 1 147 265 17 TYR H H 8.548 0.020 1 148 265 17 TYR HA H 4.287 0.020 1 149 265 17 TYR HB2 H 2.833 0.020 2 150 265 17 TYR HB3 H 2.197 0.020 2 151 265 17 TYR HD1 H 7.229 0.020 1 152 265 17 TYR HD2 H 7.229 0.020 1 153 265 17 TYR HE1 H 6.822 0.020 1 154 265 17 TYR HE2 H 6.822 0.020 1 155 265 17 TYR CA C 61.051 0.400 1 156 265 17 TYR CB C 39.779 0.400 1 157 265 17 TYR CD1 C 134.662 0.400 1 158 265 17 TYR CE1 C 119.517 0.400 1 159 265 17 TYR N N 124.189 0.400 1 160 266 18 GLY H H 8.445 0.020 1 161 266 18 GLY HA2 H 4.791 0.020 2 162 266 18 GLY HA3 H 3.756 0.020 2 163 266 18 GLY CA C 44.830 0.400 1 164 266 18 GLY N N 107.935 0.400 1 165 267 19 TYR H H 9.194 0.020 1 166 267 19 TYR HA H 4.313 0.020 1 167 267 19 TYR HB2 H 2.944 0.020 2 168 267 19 TYR HB3 H 2.444 0.020 2 169 267 19 TYR HD1 H 6.749 0.020 1 170 267 19 TYR HD2 H 6.749 0.020 1 171 267 19 TYR HE1 H 6.644 0.020 1 172 267 19 TYR HE2 H 6.644 0.020 1 173 267 19 TYR CA C 60.334 0.400 1 174 267 19 TYR CB C 41.750 0.400 1 175 267 19 TYR CD1 C 134.271 0.400 1 176 267 19 TYR CE1 C 119.962 0.400 1 177 267 19 TYR N N 126.420 0.400 1 178 268 20 GLY H H 8.585 0.020 1 179 268 20 GLY HA2 H 3.291 0.020 2 180 268 20 GLY HA3 H 3.291 0.020 2 181 268 20 GLY CA C 45.527 0.400 1 182 268 20 GLY N N 117.488 0.400 1 183 269 21 PRO HA H 4.681 0.020 1 184 269 21 PRO HB2 H 1.788 0.020 2 185 269 21 PRO HB3 H 1.788 0.020 2 186 269 21 PRO HG2 H 2.067 0.020 2 187 269 21 PRO HG3 H 1.910 0.020 2 188 269 21 PRO HD2 H 3.561 0.020 2 189 269 21 PRO HD3 H 3.478 0.020 2 190 269 21 PRO CB C 33.555 0.400 1 191 269 21 PRO CG C 29.129 0.400 1 192 269 21 PRO CD C 51.024 0.400 1 193 270 22 TYR HA H 4.625 0.020 1 194 270 22 TYR HB2 H 2.819 0.020 2 195 270 22 TYR HB3 H 2.347 0.020 2 196 270 22 TYR HD1 H 6.289 0.020 1 197 270 22 TYR HD2 H 6.289 0.020 1 198 270 22 TYR HE1 H 6.473 0.020 1 199 270 22 TYR HE2 H 6.473 0.020 1 200 270 22 TYR CA C 57.122 0.400 1 201 270 22 TYR CB C 39.213 0.400 1 202 270 22 TYR CD1 C 133.075 0.400 1 203 270 22 TYR CE1 C 119.755 0.400 1 204 271 23 PRO HA H 4.439 0.020 1 205 271 23 PRO HB2 H 2.142 0.020 2 206 271 23 PRO HB3 H 1.913 0.020 2 207 271 23 PRO HG2 H 2.009 0.020 2 208 271 23 PRO HG3 H 1.862 0.020 2 209 271 23 PRO HD2 H 3.553 0.020 2 210 271 23 PRO HD3 H 3.020 0.020 2 211 271 23 PRO CA C 65.316 0.400 1 212 271 23 PRO CB C 32.863 0.400 1 213 271 23 PRO CG C 29.072 0.400 1 214 271 23 PRO CD C 52.210 0.400 1 215 272 24 LEU HA H 4.104 0.020 1 216 272 24 LEU HB2 H 1.312 0.020 2 217 272 24 LEU HB3 H 0.935 0.020 2 218 272 24 LEU HG H 1.176 0.020 1 219 272 24 LEU HD1 H 0.749 0.020 2 220 272 24 LEU HD2 H 0.749 0.020 2 221 272 24 LEU CA C 56.668 0.400 1 222 272 24 LEU CB C 43.469 0.400 1 223 272 24 LEU CD1 C 26.172 0.400 1 224 272 24 LEU CD2 C 24.863 0.400 1 225 274 26 ILE HA H 4.105 0.020 1 226 274 26 ILE HB H 1.728 0.020 1 227 274 26 ILE HG12 H 1.298 0.020 2 228 274 26 ILE HG13 H 1.014 0.020 2 229 274 26 ILE HG2 H 0.755 0.020 1 230 274 26 ILE HD1 H 0.711 0.020 1 231 274 26 ILE CA C 62.057 0.400 1 232 274 26 ILE CB C 40.303 0.400 1 233 274 26 ILE CG1 C 28.687 0.400 1 234 274 26 ILE CG2 C 18.820 0.400 1 235 274 26 ILE CD1 C 14.274 0.400 1 236 275 27 ASN HA H 4.524 0.020 1 237 275 27 ASN HB2 H 3.011 0.020 2 238 275 27 ASN HB3 H 3.011 0.020 2 239 275 27 ASN CA C 55.773 0.400 1 240 275 27 ASN CB C 39.593 0.400 1 241 276 28 GLY H H 8.409 0.020 1 242 276 28 GLY HA2 H 3.965 0.020 2 243 276 28 GLY HA3 H 3.829 0.020 2 244 276 28 GLY CA C 47.468 0.400 1 245 276 28 GLY N N 106.083 0.400 1 246 277 29 GLY H H 8.130 0.020 1 247 277 29 GLY HA2 H 4.165 0.020 2 248 277 29 GLY HA3 H 4.081 0.020 2 249 277 29 GLY CA C 47.292 0.400 1 250 277 29 GLY N N 107.241 0.400 1 251 278 30 MET H H 7.557 0.020 1 252 278 30 MET HA H 4.263 0.020 1 253 278 30 MET HB2 H 1.573 0.020 2 254 278 30 MET HB3 H 1.573 0.020 2 255 278 30 MET HG2 H 2.092 0.020 2 256 278 30 MET HG3 H 1.156 0.020 2 257 278 30 MET HE H 1.325 0.020 1 258 278 30 MET CA C 54.885 0.400 1 259 278 30 MET CB C 35.138 0.400 1 260 278 30 MET CG C 34.166 0.400 1 261 278 30 MET CE C 18.502 0.400 1 262 278 30 MET N N 120.762 0.400 1 263 279 31 HIS H H 7.912 0.020 1 264 279 31 HIS HA H 4.332 0.020 1 265 279 31 HIS HB2 H 3.217 0.020 2 266 279 31 HIS HB3 H 3.217 0.020 2 267 279 31 HIS HD1 H 11.611 0.020 1 268 279 31 HIS HD2 H 7.239 0.020 1 269 279 31 HIS HE1 H 7.254 0.020 1 270 279 31 HIS CA C 56.209 0.400 1 271 279 31 HIS CB C 30.337 0.400 1 272 279 31 HIS CD2 C 127.938 0.400 1 273 279 31 HIS CE1 C 140.829 0.400 1 274 279 31 HIS N N 124.723 0.400 1 275 279 31 HIS ND1 N 168.374 0.400 1 276 280 32 TYR HA H 4.169 0.020 1 277 280 32 TYR HB2 H 3.346 0.020 2 278 280 32 TYR HB3 H 2.467 0.020 2 279 280 32 TYR HD1 H 7.025 0.020 1 280 280 32 TYR HD2 H 7.025 0.020 1 281 280 32 TYR HE1 H 6.654 0.020 1 282 280 32 TYR HE2 H 6.654 0.020 1 283 280 32 TYR CA C 61.838 0.400 1 284 280 32 TYR CB C 39.170 0.400 1 285 280 32 TYR CD1 C 135.095 0.400 1 286 280 32 TYR CE1 C 119.355 0.400 1 287 281 33 GLY H H 5.727 0.020 1 288 281 33 GLY HA2 H 4.195 0.020 2 289 281 33 GLY HA3 H 3.263 0.020 2 290 281 33 GLY CA C 46.508 0.400 1 291 281 33 GLY N N 104.309 0.400 1 292 282 34 VAL H H 8.559 0.020 1 293 282 34 VAL HA H 5.095 0.020 1 294 282 34 VAL HB H 1.745 0.020 1 295 282 34 VAL HG1 H 0.770 0.020 2 296 282 34 VAL HG2 H 0.840 0.020 2 297 282 34 VAL CA C 60.229 0.400 1 298 282 34 VAL CB C 36.628 0.400 1 299 282 34 VAL CG1 C 23.628 0.400 1 300 282 34 VAL CG2 C 22.980 0.400 1 301 282 34 VAL N N 115.837 0.400 1 302 283 35 ASP H H 7.642 0.020 1 303 283 35 ASP HA H 6.106 0.020 1 304 283 35 ASP HB2 H 2.487 0.020 2 305 283 35 ASP HB3 H 2.091 0.020 2 306 283 35 ASP CA C 53.256 0.400 1 307 283 35 ASP CB C 44.360 0.400 1 308 283 35 ASP N N 125.196 0.400 1 309 284 36 PHE HA H 4.943 0.020 1 310 284 36 PHE HB2 H 2.679 0.020 2 311 284 36 PHE HB3 H 2.488 0.020 2 312 284 36 PHE HD1 H 6.934 0.020 1 313 284 36 PHE HD2 H 6.934 0.020 1 314 284 36 PHE HE1 H 6.888 0.020 1 315 284 36 PHE HE2 H 6.888 0.020 1 316 284 36 PHE HZ H 6.135 0.020 1 317 284 36 PHE CA C 58.114 0.400 1 318 284 36 PHE CB C 44.095 0.400 1 319 284 36 PHE CD1 C 132.894 0.400 1 320 284 36 PHE CE1 C 132.790 0.400 1 321 284 36 PHE CZ C 129.894 0.400 1 322 285 37 PHE H H 9.305 0.020 1 323 285 37 PHE HA H 4.592 0.020 1 324 285 37 PHE HB2 H 3.333 0.020 2 325 285 37 PHE HB3 H 2.989 0.020 2 326 285 37 PHE HD1 H 7.167 0.020 1 327 285 37 PHE HD2 H 7.167 0.020 1 328 285 37 PHE HE1 H 7.091 0.020 1 329 285 37 PHE HE2 H 7.091 0.020 1 330 285 37 PHE CA C 61.629 0.400 1 331 285 37 PHE CB C 40.600 0.400 1 332 285 37 PHE CD1 C 132.667 0.400 1 333 285 37 PHE CE1 C 132.678 0.400 1 334 285 37 PHE N N 124.609 0.400 1 335 286 38 MET H H 7.589 0.020 1 336 286 38 MET HA H 4.854 0.020 1 337 286 38 MET HB2 H 2.367 0.020 2 338 286 38 MET HB3 H 1.816 0.020 2 339 286 38 MET HG2 H 2.368 0.020 2 340 286 38 MET HG3 H 2.285 0.020 2 341 286 38 MET HE H 1.306 0.020 1 342 286 38 MET CA C 56.797 0.400 1 343 286 38 MET CB C 35.395 0.400 1 344 286 38 MET CG C 30.992 0.400 1 345 286 38 MET CE C 17.934 0.400 1 346 286 38 MET N N 117.689 0.400 1 347 287 39 ASN H H 8.874 0.020 1 348 287 39 ASN HA H 4.535 0.020 1 349 287 39 ASN HB2 H 2.869 0.020 2 350 287 39 ASN HB3 H 2.636 0.020 2 351 287 39 ASN HD21 H 7.719 0.020 2 352 287 39 ASN HD22 H 7.048 0.020 2 353 287 39 ASN CA C 54.253 0.400 1 354 287 39 ASN CB C 39.758 0.400 1 355 287 39 ASN N N 120.031 0.400 1 356 287 39 ASN ND2 N 112.228 0.400 1 357 288 40 ILE H H 8.704 0.020 1 358 288 40 ILE HA H 3.753 0.020 1 359 288 40 ILE HB H 1.752 0.020 1 360 288 40 ILE HG12 H 1.795 0.020 2 361 288 40 ILE HG13 H 1.010 0.020 2 362 288 40 ILE HG2 H 1.018 0.020 1 363 288 40 ILE HD1 H 0.995 0.020 1 364 288 40 ILE CA C 65.279 0.400 1 365 288 40 ILE CB C 39.113 0.400 1 366 288 40 ILE CG1 C 30.462 0.400 1 367 288 40 ILE CG2 C 18.504 0.400 1 368 288 40 ILE CD1 C 14.742 0.400 1 369 288 40 ILE N N 121.378 0.400 1 370 289 41 GLY H H 8.685 0.020 1 371 289 41 GLY HA2 H 4.439 0.020 2 372 289 41 GLY HA3 H 3.583 0.020 2 373 289 41 GLY CA C 46.670 0.400 1 374 289 41 GLY N N 113.641 0.400 1 375 290 42 THR H H 8.483 0.020 1 376 290 42 THR HA H 4.531 0.020 1 377 290 42 THR HB H 4.570 0.020 1 378 290 42 THR HG2 H 1.394 0.020 1 379 290 42 THR CA C 64.453 0.400 1 380 290 42 THR CB C 71.031 0.400 1 381 290 42 THR CG2 C 22.737 0.400 1 382 290 42 THR N N 123.182 0.400 1 383 291 43 PRO HA H 3.939 0.020 1 384 291 43 PRO HB2 H 1.914 0.020 2 385 291 43 PRO HB3 H 1.564 0.020 2 386 291 43 PRO HG2 H 2.289 0.020 2 387 291 43 PRO HG3 H 2.174 0.020 2 388 291 43 PRO HD2 H 4.396 0.020 2 389 291 43 PRO HD3 H 3.893 0.020 2 390 291 43 PRO CA C 65.191 0.400 1 391 291 43 PRO CB C 33.225 0.400 1 392 291 43 PRO CG C 29.571 0.400 1 393 291 43 PRO CD C 53.048 0.400 1 394 292 44 VAL H H 8.345 0.020 1 395 292 44 VAL HA H 3.656 0.020 1 396 292 44 VAL HB H 1.286 0.020 1 397 292 44 VAL HG1 H 0.842 0.020 2 398 292 44 VAL HG2 H 0.934 0.020 2 399 292 44 VAL CA C 62.796 0.400 1 400 292 44 VAL CB C 34.667 0.400 1 401 292 44 VAL CG1 C 23.717 0.400 1 402 292 44 VAL CG2 C 23.109 0.400 1 403 292 44 VAL N N 123.791 0.400 1 404 293 45 LYS H H 4.942 0.020 1 405 293 45 LYS HA H 4.230 0.020 1 406 293 45 LYS HB2 H 0.667 0.020 2 407 293 45 LYS HB3 H -0.638 0.020 2 408 293 45 LYS HG2 H 0.518 0.020 2 409 293 45 LYS HG3 H 0.130 0.020 2 410 293 45 LYS HD2 H 0.908 0.020 2 411 293 45 LYS HD3 H 0.793 0.020 2 412 293 45 LYS HE2 H 2.509 0.020 2 413 293 45 LYS HE3 H 2.413 0.020 2 414 293 45 LYS CA C 55.062 0.400 1 415 293 45 LYS CB C 34.337 0.400 1 416 293 45 LYS CG C 26.681 0.400 1 417 293 45 LYS CD C 30.370 0.400 1 418 293 45 LYS CE C 42.903 0.400 1 419 293 45 LYS N N 126.725 0.400 1 420 294 46 ALA H H 8.406 0.020 1 421 294 46 ALA HA H 3.942 0.020 1 422 294 46 ALA HB H 1.285 0.020 1 423 294 46 ALA CA C 54.005 0.400 1 424 294 46 ALA CB C 18.657 0.400 1 425 294 46 ALA N N 120.982 0.400 1 426 295 47 ILE H H 8.999 0.020 1 427 295 47 ILE HA H 4.242 0.020 1 428 295 47 ILE HB H 1.943 0.020 1 429 295 47 ILE HG12 H 2.031 0.020 2 430 295 47 ILE HG13 H 1.268 0.020 2 431 295 47 ILE HG2 H 0.903 0.020 1 432 295 47 ILE HD1 H 0.340 0.020 1 433 295 47 ILE CA C 64.124 0.400 1 434 295 47 ILE CB C 39.891 0.400 1 435 295 47 ILE CG1 C 32.267 0.400 1 436 295 47 ILE CG2 C 19.293 0.400 1 437 295 47 ILE CD1 C 14.175 0.400 1 438 295 47 ILE N N 127.671 0.400 1 439 296 48 SER H H 7.075 0.020 1 440 296 48 SER HA H 5.568 0.020 1 441 296 48 SER HB2 H 4.325 0.020 2 442 296 48 SER HB3 H 3.140 0.020 2 443 296 48 SER CA C 58.368 0.400 1 444 296 48 SER CB C 67.400 0.400 1 445 296 48 SER N N 109.639 0.400 1 446 297 49 SER H H 7.958 0.020 1 447 297 49 SER HA H 4.689 0.020 1 448 297 49 SER HB2 H 4.178 0.020 2 449 297 49 SER HB3 H 3.833 0.020 2 450 297 49 SER CA C 58.599 0.400 1 451 297 49 SER CB C 65.380 0.400 1 452 297 49 SER N N 114.822 0.400 1 453 298 50 GLY H H 8.287 0.020 1 454 298 50 GLY HA2 H 4.448 0.020 2 455 298 50 GLY HA3 H 3.971 0.020 2 456 298 50 GLY CA C 47.491 0.400 1 457 298 50 GLY N N 108.617 0.400 1 458 299 51 LYS H H 8.274 0.020 1 459 299 51 LYS HA H 4.831 0.020 1 460 299 51 LYS HB2 H 1.649 0.020 2 461 299 51 LYS HB3 H 1.616 0.020 2 462 299 51 LYS HG2 H 1.078 0.020 2 463 299 51 LYS HG3 H 0.912 0.020 2 464 299 51 LYS HE2 H 2.841 0.020 2 465 299 51 LYS HE3 H 2.841 0.020 2 466 299 51 LYS CA C 55.971 0.400 1 467 299 51 LYS CB C 37.544 0.400 1 468 299 51 LYS CG C 26.286 0.400 1 469 299 51 LYS CD C 30.900 0.400 1 470 299 51 LYS CE C 43.552 0.400 1 471 299 51 LYS N N 119.014 0.400 1 472 300 52 ILE H H 9.268 0.020 1 473 300 52 ILE HA H 4.539 0.020 1 474 300 52 ILE HB H 2.514 0.020 1 475 300 52 ILE HG12 H 1.102 0.020 2 476 300 52 ILE HG13 H 0.895 0.020 2 477 300 52 ILE HG2 H 0.751 0.020 1 478 300 52 ILE HD1 H 0.659 0.020 1 479 300 52 ILE CA C 59.842 0.400 1 480 300 52 ILE CB C 36.011 0.400 1 481 300 52 ILE CG1 C 26.673 0.400 1 482 300 52 ILE CG2 C 19.251 0.400 1 483 300 52 ILE CD1 C 10.659 0.400 1 484 300 52 ILE N N 124.254 0.400 1 485 301 53 VAL H H 8.493 0.020 1 486 301 53 VAL HA H 4.682 0.020 1 487 301 53 VAL HB H 2.373 0.020 1 488 301 53 VAL HG1 H 0.931 0.020 2 489 301 53 VAL HG2 H 0.797 0.020 2 490 301 53 VAL CA C 62.111 0.400 1 491 301 53 VAL CB C 34.322 0.400 1 492 301 53 VAL CG1 C 22.935 0.400 1 493 301 53 VAL CG2 C 20.898 0.400 1 494 301 53 VAL N N 120.406 0.400 1 495 302 54 GLU H H 7.746 0.020 1 496 302 54 GLU HA H 4.291 0.020 1 497 302 54 GLU HB2 H 1.837 0.020 2 498 302 54 GLU HB3 H 1.500 0.020 2 499 302 54 GLU HG2 H 2.165 0.020 2 500 302 54 GLU HG3 H 1.948 0.020 2 501 302 54 GLU CA C 57.035 0.400 1 502 302 54 GLU CB C 34.671 0.400 1 503 302 54 GLU CG C 36.155 0.400 1 504 302 54 GLU N N 124.253 0.400 1 505 303 55 ALA H H 8.891 0.020 1 506 303 55 ALA HA H 4.933 0.020 1 507 303 55 ALA HB H 0.795 0.020 1 508 303 55 ALA CA C 53.373 0.400 1 509 303 55 ALA CB C 18.634 0.400 1 510 303 55 ALA N N 131.023 0.400 1 511 304 56 GLY H H 8.515 0.020 1 512 304 56 GLY HA2 H 4.238 0.020 2 513 304 56 GLY HA3 H 4.000 0.020 2 514 304 56 GLY CA C 47.985 0.400 1 515 304 56 GLY N N 111.533 0.400 1 516 305 57 TRP H H 8.543 0.020 1 517 305 57 TRP HA H 4.369 0.020 1 518 305 57 TRP HB2 H 3.245 0.020 2 519 305 57 TRP HB3 H 2.997 0.020 2 520 305 57 TRP HD1 H 6.839 0.020 1 521 305 57 TRP HE1 H 9.810 0.020 1 522 305 57 TRP HE3 H 7.538 0.020 1 523 305 57 TRP HZ2 H 7.485 0.020 1 524 305 57 TRP HZ3 H 6.993 0.020 1 525 305 57 TRP HH2 H 7.302 0.020 1 526 305 57 TRP CA C 59.365 0.400 1 527 305 57 TRP CB C 31.111 0.400 1 528 305 57 TRP CD1 C 128.955 0.400 1 529 305 57 TRP CE3 C 122.805 0.400 1 530 305 57 TRP CZ2 C 115.599 0.400 1 531 305 57 TRP CZ3 C 122.819 0.400 1 532 305 57 TRP CH2 C 125.322 0.400 1 533 305 57 TRP N N 120.870 0.400 1 534 305 57 TRP NE1 N 129.365 0.400 1 535 306 58 SER H H 7.980 0.020 1 536 306 58 SER HA H 4.474 0.020 1 537 306 58 SER HB2 H 3.437 0.020 2 538 306 58 SER HB3 H 3.092 0.020 2 539 306 58 SER CA C 56.578 0.400 1 540 306 58 SER CB C 65.086 0.400 1 541 306 58 SER N N 122.035 0.400 1 542 307 59 ASN H H 8.718 0.020 1 543 307 59 ASN HA H 4.694 0.020 1 544 307 59 ASN HB2 H 2.675 0.020 2 545 307 59 ASN HB3 H 2.220 0.020 2 546 307 59 ASN HD21 H 7.415 0.020 2 547 307 59 ASN HD22 H 7.001 0.020 2 548 307 59 ASN CA C 55.275 0.400 1 549 307 59 ASN CB C 40.089 0.400 1 550 307 59 ASN N N 123.219 0.400 1 551 307 59 ASN ND2 N 112.637 0.400 1 552 308 60 TYR H H 7.715 0.020 1 553 308 60 TYR HA H 4.588 0.020 1 554 308 60 TYR HB2 H 3.386 0.020 2 555 308 60 TYR HB3 H 2.344 0.020 2 556 308 60 TYR HD1 H 7.063 0.020 1 557 308 60 TYR HD2 H 7.063 0.020 1 558 308 60 TYR HE1 H 6.880 0.020 1 559 308 60 TYR HE2 H 6.880 0.020 1 560 308 60 TYR CA C 59.393 0.400 1 561 308 60 TYR CB C 39.440 0.400 1 562 308 60 TYR CD1 C 134.268 0.400 1 563 308 60 TYR CE1 C 119.748 0.400 1 564 308 60 TYR N N 116.771 0.400 1 565 309 61 GLY H H 7.592 0.020 1 566 309 61 GLY HA2 H 4.318 0.020 2 567 309 61 GLY HA3 H 3.152 0.020 2 568 309 61 GLY CA C 47.185 0.400 1 569 309 61 GLY N N 108.245 0.400 1 570 310 62 GLY H H 7.670 0.020 1 571 310 62 GLY HA2 H 3.411 0.020 2 572 310 62 GLY HA3 H 3.411 0.020 2 573 310 62 GLY CA C 47.186 0.400 1 574 310 62 GLY N N 106.158 0.400 1 575 311 63 GLY H H 7.446 0.020 1 576 311 63 GLY HA2 H 3.817 0.020 2 577 311 63 GLY HA3 H 3.537 0.020 2 578 311 63 GLY CA C 46.248 0.400 1 579 311 63 GLY N N 106.934 0.400 1 580 312 64 ASN HA H 4.507 0.020 1 581 312 64 ASN HB2 H 2.897 0.020 2 582 312 64 ASN HB3 H 1.942 0.020 2 583 312 64 ASN HD21 H 7.590 0.020 2 584 312 64 ASN CA C 56.072 0.400 1 585 312 64 ASN CB C 39.313 0.400 1 586 313 65 GLN H H 8.102 0.020 1 587 313 65 GLN HA H 5.636 0.020 1 588 313 65 GLN HB2 H 1.720 0.020 2 589 313 65 GLN HB3 H 1.313 0.020 2 590 313 65 GLN HG2 H 1.942 0.020 2 591 313 65 GLN HG3 H 1.633 0.020 2 592 313 65 GLN CA C 54.768 0.400 1 593 313 65 GLN CB C 35.120 0.400 1 594 313 65 GLN CG C 33.427 0.400 1 595 313 65 GLN N N 120.887 0.400 1 596 314 66 ILE H H 8.444 0.020 1 597 314 66 ILE HA H 4.997 0.020 1 598 314 66 ILE HB H 1.494 0.020 1 599 314 66 ILE HG12 H 1.702 0.020 2 600 314 66 ILE HG13 H 1.006 0.020 2 601 314 66 ILE HG2 H 1.040 0.020 1 602 314 66 ILE HD1 H 0.775 0.020 1 603 314 66 ILE CA C 60.380 0.400 1 604 314 66 ILE CB C 44.647 0.400 1 605 314 66 ILE CG1 C 29.904 0.400 1 606 314 66 ILE CG2 C 19.634 0.400 1 607 314 66 ILE CD1 C 17.952 0.400 1 608 314 66 ILE N N 119.731 0.400 1 609 315 67 GLY H H 9.223 0.020 1 610 315 67 GLY HA2 H 6.126 0.020 2 611 315 67 GLY HA3 H 3.247 0.020 2 612 315 67 GLY CA C 46.628 0.400 1 613 315 67 GLY N N 114.204 0.400 1 614 316 68 LEU H H 9.638 0.020 1 615 316 68 LEU HA H 5.607 0.020 1 616 316 68 LEU HB2 H 1.773 0.020 2 617 316 68 LEU HB3 H 1.544 0.020 2 618 316 68 LEU HG H 1.443 0.020 1 619 316 68 LEU HD1 H 0.735 0.020 2 620 316 68 LEU HD2 H 0.643 0.020 2 621 316 68 LEU CA C 55.279 0.400 1 622 316 68 LEU CB C 49.871 0.400 1 623 316 68 LEU CD1 C 27.879 0.400 1 624 316 68 LEU CD2 C 26.317 0.400 1 625 316 68 LEU N N 129.783 0.400 1 626 317 69 ILE H H 9.338 0.020 1 627 317 69 ILE HA H 4.549 0.020 1 628 317 69 ILE HB H 1.713 0.020 1 629 317 69 ILE HG12 H 1.841 0.020 2 630 317 69 ILE HG13 H 0.928 0.020 2 631 317 69 ILE HG2 H 1.060 0.020 1 632 317 69 ILE HD1 H 0.938 0.020 1 633 317 69 ILE CA C 62.834 0.400 1 634 317 69 ILE CB C 41.045 0.400 1 635 317 69 ILE CG1 C 29.925 0.400 1 636 317 69 ILE CG2 C 17.965 0.400 1 637 317 69 ILE CD1 C 15.992 0.400 1 638 317 69 ILE N N 125.713 0.400 1 639 318 70 GLU H H 8.549 0.020 1 640 318 70 GLU HA H 4.346 0.020 1 641 318 70 GLU HB2 H 2.563 0.020 2 642 318 70 GLU HB3 H 2.040 0.020 2 643 318 70 GLU HG2 H 2.107 0.020 2 644 318 70 GLU HG3 H 2.107 0.020 2 645 318 70 GLU CA C 58.749 0.400 1 646 318 70 GLU CB C 32.221 0.400 1 647 318 70 GLU CG C 39.098 0.400 1 648 318 70 GLU N N 127.078 0.400 1 649 319 71 ASN H H 8.722 0.020 1 650 319 71 ASN HA H 4.602 0.020 1 651 319 71 ASN HB2 H 2.884 0.020 2 652 319 71 ASN HB3 H 2.884 0.020 2 653 319 71 ASN HD21 H 7.906 0.020 2 654 319 71 ASN HD22 H 6.822 0.020 2 655 319 71 ASN CA C 56.806 0.400 1 656 319 71 ASN CB C 39.298 0.400 1 657 319 71 ASN N N 117.593 0.400 1 658 319 71 ASN ND2 N 110.778 0.400 1 659 320 72 ASP H H 7.628 0.020 1 660 320 72 ASP HA H 4.478 0.020 1 661 320 72 ASP HB2 H 3.163 0.020 2 662 320 72 ASP HB3 H 2.814 0.020 2 663 320 72 ASP CA C 55.804 0.400 1 664 320 72 ASP CB C 41.062 0.400 1 665 320 72 ASP N N 116.037 0.400 1 666 321 73 GLY H H 8.425 0.020 1 667 321 73 GLY HA2 H 4.183 0.020 2 668 321 73 GLY HA3 H 3.650 0.020 2 669 321 73 GLY CA C 47.491 0.400 1 670 321 73 GLY N N 108.870 0.400 1 671 322 74 VAL H H 8.517 0.020 1 672 322 74 VAL HA H 3.852 0.020 1 673 322 74 VAL HB H 1.491 0.020 1 674 322 74 VAL HG1 H 0.782 0.020 2 675 322 74 VAL HG2 H 0.384 0.020 2 676 322 74 VAL CA C 65.361 0.400 1 677 322 74 VAL CB C 37.012 0.400 1 678 322 74 VAL CG1 C 22.371 0.400 1 679 322 74 VAL CG2 C 21.617 0.400 1 680 322 74 VAL N N 120.969 0.400 1 681 323 75 HIS H H 9.587 0.020 1 682 323 75 HIS HA H 4.747 0.020 1 683 323 75 HIS HB2 H 3.041 0.020 2 684 323 75 HIS HB3 H 2.926 0.020 2 685 323 75 HIS HD2 H 6.409 0.020 1 686 323 75 HIS CA C 60.868 0.400 1 687 323 75 HIS CB C 29.800 0.400 1 688 323 75 HIS N N 122.996 0.400 1 689 324 76 ARG H H 8.616 0.020 1 690 324 76 ARG HA H 4.853 0.020 1 691 324 76 ARG HB2 H 0.288 0.020 2 692 324 76 ARG HB3 H 0.158 0.020 2 693 324 76 ARG HG2 H 0.887 0.020 2 694 324 76 ARG HG3 H 0.594 0.020 2 695 324 76 ARG HD2 H 1.969 0.020 2 696 324 76 ARG HD3 H 1.304 0.020 2 697 324 76 ARG CA C 54.958 0.400 1 698 324 76 ARG CB C 35.464 0.400 1 699 324 76 ARG CG C 29.521 0.400 1 700 324 76 ARG CD C 43.722 0.400 1 701 324 76 ARG N N 121.550 0.400 1 702 325 77 GLN H H 9.588 0.020 1 703 325 77 GLN HA H 5.318 0.020 1 704 325 77 GLN HB2 H 2.167 0.020 2 705 325 77 GLN HB3 H 1.985 0.020 2 706 325 77 GLN HG2 H 2.611 0.020 2 707 325 77 GLN HG3 H 2.611 0.020 2 708 325 77 GLN HE21 H 8.496 0.020 2 709 325 77 GLN HE22 H 7.400 0.020 2 710 325 77 GLN CA C 54.991 0.400 1 711 325 77 GLN CB C 34.596 0.400 1 712 325 77 GLN CG C 34.828 0.400 1 713 325 77 GLN N N 118.544 0.400 1 714 325 77 GLN NE2 N 112.521 0.400 1 715 326 78 TRP H H 9.035 0.020 1 716 326 78 TRP HA H 6.362 0.020 1 717 326 78 TRP HB2 H 2.967 0.020 2 718 326 78 TRP HB3 H 2.874 0.020 2 719 326 78 TRP HD1 H 7.269 0.020 1 720 326 78 TRP HE1 H 11.092 0.020 1 721 326 78 TRP HE3 H 6.934 0.020 1 722 326 78 TRP HZ2 H 7.349 0.020 1 723 326 78 TRP HZ3 H 6.472 0.020 1 724 326 78 TRP HH2 H 6.819 0.020 1 725 326 78 TRP CA C 55.956 0.400 1 726 326 78 TRP CB C 36.400 0.400 1 727 326 78 TRP CD1 C 126.504 0.400 1 728 326 78 TRP CE3 C 122.332 0.400 1 729 326 78 TRP CZ2 C 116.462 0.400 1 730 326 78 TRP CZ3 C 121.710 0.400 1 731 326 78 TRP CH2 C 124.948 0.400 1 732 326 78 TRP N N 121.906 0.400 1 733 326 78 TRP NE1 N 134.265 0.400 1 734 327 79 TYR H H 8.950 0.020 1 735 327 79 TYR HA H 5.260 0.020 1 736 327 79 TYR HB2 H 3.150 0.020 2 737 327 79 TYR HB3 H 2.779 0.020 2 738 327 79 TYR HD1 H 7.227 0.020 1 739 327 79 TYR HD2 H 7.227 0.020 1 740 327 79 TYR HE1 H 7.100 0.020 1 741 327 79 TYR HE2 H 7.100 0.020 1 742 327 79 TYR CA C 58.098 0.400 1 743 327 79 TYR CB C 41.749 0.400 1 744 327 79 TYR CD1 C 134.206 0.400 1 745 327 79 TYR CE1 C 121.337 0.400 1 746 327 79 TYR N N 118.401 0.400 1 747 328 80 MET H H 8.544 0.020 1 748 328 80 MET HA H 4.900 0.020 1 749 328 80 MET HB2 H 1.256 0.020 2 750 328 80 MET HB3 H 1.256 0.020 2 751 328 80 MET HG2 H 2.266 0.020 2 752 328 80 MET HG3 H 1.865 0.020 2 753 328 80 MET HE H 1.194 0.020 1 754 328 80 MET CA C 56.926 0.400 1 755 328 80 MET CB C 37.746 0.400 1 756 328 80 MET CG C 34.163 0.400 1 757 328 80 MET CE C 20.380 0.400 1 758 328 80 MET N N 117.944 0.400 1 759 329 81 HIS H H 8.259 0.020 1 760 329 81 HIS HA H 4.387 0.020 1 761 329 81 HIS HB2 H 3.633 0.020 2 762 329 81 HIS HB3 H 3.122 0.020 2 763 329 81 HIS HD2 H 6.183 0.020 1 764 329 81 HIS CA C 58.745 0.400 1 765 329 81 HIS CB C 26.812 0.400 1 766 329 81 HIS N N 113.784 0.400 1 767 330 82 LEU H H 8.237 0.020 1 768 330 82 LEU HA H 4.156 0.020 1 769 330 82 LEU HB2 H 1.483 0.020 2 770 330 82 LEU HB3 H 1.145 0.020 2 771 330 82 LEU HG H 1.645 0.020 1 772 330 82 LEU HD1 H 0.678 0.020 2 773 330 82 LEU HD2 H 0.635 0.020 2 774 330 82 LEU CA C 57.096 0.400 1 775 330 82 LEU CB C 42.843 0.400 1 776 330 82 LEU CD1 C 28.707 0.400 1 777 330 82 LEU CD2 C 24.707 0.400 1 778 330 82 LEU N N 113.977 0.400 1 779 331 83 SER H H 9.135 0.020 1 780 331 83 SER HA H 4.689 0.020 1 781 331 83 SER HB2 H 3.969 0.020 2 782 331 83 SER HB3 H 3.969 0.020 2 783 331 83 SER CA C 60.555 0.400 1 784 331 83 SER CB C 66.331 0.400 1 785 331 83 SER N N 113.173 0.400 1 786 332 84 LYS H H 7.276 0.020 1 787 332 84 LYS HA H 4.444 0.020 1 788 332 84 LYS HB2 H 1.890 0.020 2 789 332 84 LYS HB3 H 1.890 0.020 2 790 332 84 LYS HG2 H 1.520 0.020 2 791 332 84 LYS HG3 H 1.520 0.020 2 792 332 84 LYS HD2 H 1.341 0.020 2 793 332 84 LYS HD3 H 1.197 0.020 2 794 332 84 LYS HE2 H 2.655 0.020 2 795 332 84 LYS HE3 H 2.655 0.020 2 796 332 84 LYS CA C 57.428 0.400 1 797 332 84 LYS CB C 39.117 0.400 1 798 332 84 LYS CG C 26.591 0.400 1 799 332 84 LYS CD C 30.682 0.400 1 800 332 84 LYS CE C 43.253 0.400 1 801 332 84 LYS N N 120.242 0.400 1 802 333 85 TYR H H 8.784 0.020 1 803 333 85 TYR HA H 4.841 0.020 1 804 333 85 TYR HB2 H 3.231 0.020 2 805 333 85 TYR HB3 H 3.149 0.020 2 806 333 85 TYR HD1 H 7.041 0.020 1 807 333 85 TYR HD2 H 7.041 0.020 1 808 333 85 TYR HE1 H 6.642 0.020 1 809 333 85 TYR HE2 H 6.642 0.020 1 810 333 85 TYR CA C 59.071 0.400 1 811 333 85 TYR CB C 43.233 0.400 1 812 333 85 TYR CD1 C 134.749 0.400 1 813 333 85 TYR N N 121.372 0.400 1 814 334 86 ASN H H 8.586 0.020 1 815 334 86 ASN HA H 5.409 0.020 1 816 334 86 ASN HB2 H 2.187 0.020 2 817 334 86 ASN HB3 H 1.910 0.020 2 818 334 86 ASN HD21 H 6.877 0.020 2 819 334 86 ASN HD22 H 6.847 0.020 2 820 334 86 ASN CA C 52.995 0.400 1 821 334 86 ASN CB C 43.160 0.400 1 822 334 86 ASN N N 119.710 0.400 1 823 334 86 ASN ND2 N 109.209 0.400 1 824 335 87 VAL H H 6.950 0.020 1 825 335 87 VAL HA H 4.691 0.020 1 826 335 87 VAL HB H 2.282 0.020 1 827 335 87 VAL HG1 H 0.979 0.020 2 828 335 87 VAL HG2 H 0.888 0.020 2 829 335 87 VAL CA C 59.812 0.400 1 830 335 87 VAL CB C 38.767 0.400 1 831 335 87 VAL CG1 C 24.852 0.400 1 832 335 87 VAL CG2 C 19.598 0.400 1 833 335 87 VAL N N 108.031 0.400 1 834 336 88 LYS H H 8.597 0.020 1 835 336 88 LYS HA H 4.508 0.020 1 836 336 88 LYS HB2 H 1.690 0.020 2 837 336 88 LYS HB3 H 1.690 0.020 2 838 336 88 LYS HG2 H 1.456 0.020 2 839 336 88 LYS HG3 H 1.229 0.020 2 840 336 88 LYS HD2 H 1.632 0.020 2 841 336 88 LYS HD3 H 1.632 0.020 2 842 336 88 LYS HE2 H 3.016 0.020 2 843 336 88 LYS HE3 H 3.016 0.020 2 844 336 88 LYS CA C 55.226 0.400 1 845 336 88 LYS CB C 37.207 0.400 1 846 336 88 LYS CG C 25.327 0.400 1 847 336 88 LYS CD C 30.531 0.400 1 848 336 88 LYS CE C 43.675 0.400 1 849 336 88 LYS N N 118.830 0.400 1 850 337 89 VAL H H 8.258 0.020 1 851 337 89 VAL HA H 3.135 0.020 1 852 337 89 VAL HB H 1.837 0.020 1 853 337 89 VAL HG1 H 0.844 0.020 2 854 337 89 VAL HG2 H 0.844 0.020 2 855 337 89 VAL CA C 67.521 0.400 1 856 337 89 VAL CB C 32.514 0.400 1 857 337 89 VAL CG1 C 24.613 0.400 1 858 337 89 VAL CG2 C 22.935 0.400 1 859 337 89 VAL N N 118.997 0.400 1 860 338 90 GLY H H 8.885 0.020 1 861 338 90 GLY HA2 H 4.524 0.020 2 862 338 90 GLY HA3 H 3.473 0.020 2 863 338 90 GLY CA C 45.966 0.400 1 864 338 90 GLY N N 116.384 0.400 1 865 339 91 ASP H H 7.898 0.020 1 866 339 91 ASP HA H 4.563 0.020 1 867 339 91 ASP HB2 H 2.710 0.020 2 868 339 91 ASP HB3 H 2.480 0.020 2 869 339 91 ASP CA C 56.827 0.400 1 870 339 91 ASP CB C 42.671 0.400 1 871 339 91 ASP N N 120.945 0.400 1 872 340 92 TYR H H 8.653 0.020 1 873 340 92 TYR HA H 5.075 0.020 1 874 340 92 TYR HB2 H 2.972 0.020 2 875 340 92 TYR HB3 H 2.893 0.020 2 876 340 92 TYR HD1 H 7.078 0.020 1 877 340 92 TYR HD2 H 7.078 0.020 1 878 340 92 TYR HE1 H 6.857 0.020 1 879 340 92 TYR HE2 H 6.857 0.020 1 880 340 92 TYR CA C 59.218 0.400 1 881 340 92 TYR CB C 41.122 0.400 1 882 340 92 TYR CD1 C 134.749 0.400 1 883 340 92 TYR CE1 C 119.420 0.400 1 884 340 92 TYR N N 120.535 0.400 1 885 341 93 VAL H H 8.847 0.020 1 886 341 93 VAL HA H 4.801 0.020 1 887 341 93 VAL HB H 1.685 0.020 1 888 341 93 VAL HG1 H 0.726 0.020 2 889 341 93 VAL HG2 H 0.599 0.020 2 890 341 93 VAL CA C 59.586 0.400 1 891 341 93 VAL CB C 36.402 0.400 1 892 341 93 VAL CG1 C 23.571 0.400 1 893 341 93 VAL CG2 C 20.521 0.400 1 894 341 93 VAL N N 117.734 0.400 1 895 342 94 LYS H H 7.783 0.020 1 896 342 94 LYS HA H 4.804 0.020 1 897 342 94 LYS HB2 H 1.757 0.020 2 898 342 94 LYS HB3 H 1.578 0.020 2 899 342 94 LYS HG2 H 1.475 0.020 2 900 342 94 LYS HG3 H 1.475 0.020 2 901 342 94 LYS HD2 H 1.668 0.020 2 902 342 94 LYS HD3 H 1.668 0.020 2 903 342 94 LYS HE2 H 3.002 0.020 2 904 342 94 LYS HE3 H 3.002 0.020 2 905 342 94 LYS CA C 54.538 0.400 1 906 342 94 LYS CB C 36.243 0.400 1 907 342 94 LYS CG C 26.510 0.400 1 908 342 94 LYS CD C 30.504 0.400 1 909 342 94 LYS CE C 43.709 0.400 1 910 342 94 LYS N N 120.341 0.400 1 911 343 95 ALA H H 7.943 0.020 1 912 343 95 ALA HA H 3.568 0.020 1 913 343 95 ALA HB H 1.156 0.020 1 914 343 95 ALA CA C 55.024 0.400 1 915 343 95 ALA CB C 19.053 0.400 1 916 343 95 ALA N N 123.428 0.400 1 917 344 96 GLY H H 9.327 0.020 1 918 344 96 GLY HA2 H 4.368 0.020 2 919 344 96 GLY HA3 H 3.288 0.020 2 920 344 96 GLY CA C 46.367 0.400 1 921 344 96 GLY N N 111.481 0.400 1 922 345 97 GLN H H 8.090 0.020 1 923 345 97 GLN HA H 4.031 0.020 1 924 345 97 GLN HB2 H 2.250 0.020 2 925 345 97 GLN HB3 H 1.779 0.020 2 926 345 97 GLN HG2 H 2.316 0.020 2 927 345 97 GLN HG3 H 2.182 0.020 2 928 345 97 GLN HE21 H 7.613 0.020 2 929 345 97 GLN HE22 H 7.231 0.020 2 930 345 97 GLN CA C 57.600 0.400 1 931 345 97 GLN CB C 31.613 0.400 1 932 345 97 GLN CG C 35.230 0.400 1 933 345 97 GLN N N 121.505 0.400 1 934 345 97 GLN NE2 N 111.793 0.400 1 935 346 98 ILE H H 8.660 0.020 1 936 346 98 ILE HA H 3.721 0.020 1 937 346 98 ILE HB H 1.513 0.020 1 938 346 98 ILE HG12 H 1.502 0.020 2 939 346 98 ILE HG13 H 0.517 0.020 2 940 346 98 ILE HG2 H 0.032 0.020 1 941 346 98 ILE HD1 H 0.736 0.020 1 942 346 98 ILE CA C 63.934 0.400 1 943 346 98 ILE CB C 38.507 0.400 1 944 346 98 ILE CG1 C 30.318 0.400 1 945 346 98 ILE CG2 C 18.552 0.400 1 946 346 98 ILE CD1 C 14.358 0.400 1 947 346 98 ILE N N 123.938 0.400 1 948 347 99 ILE H H 8.433 0.020 1 949 347 99 ILE HA H 4.406 0.020 1 950 347 99 ILE HB H 1.832 0.020 1 951 347 99 ILE HG12 H 0.551 0.020 2 952 347 99 ILE HG13 H 0.551 0.020 2 953 347 99 ILE HG2 H 0.691 0.020 1 954 347 99 ILE HD1 H -0.192 0.020 1 955 347 99 ILE CA C 62.639 0.400 1 956 347 99 ILE CB C 39.833 0.400 1 957 347 99 ILE CG1 C 26.384 0.400 1 958 347 99 ILE CG2 C 20.417 0.400 1 959 347 99 ILE CD1 C 13.016 0.400 1 960 347 99 ILE N N 121.284 0.400 1 961 348 100 GLY H H 7.175 0.020 1 962 348 100 GLY HA2 H 3.919 0.020 2 963 348 100 GLY HA3 H 3.309 0.020 2 964 348 100 GLY CA C 46.615 0.400 1 965 348 100 GLY N N 108.060 0.400 1 966 349 101 TRP H H 8.678 0.020 1 967 349 101 TRP HA H 5.301 0.020 1 968 349 101 TRP HB2 H 2.878 0.020 2 969 349 101 TRP HB3 H 2.691 0.020 2 970 349 101 TRP HD1 H 7.097 0.020 1 971 349 101 TRP HE1 H 10.443 0.020 1 972 349 101 TRP HE3 H 7.043 0.020 1 973 349 101 TRP HZ2 H 7.391 0.020 1 974 349 101 TRP HZ3 H 6.807 0.020 1 975 349 101 TRP HH2 H 6.989 0.020 1 976 349 101 TRP CA C 59.489 0.400 1 977 349 101 TRP CB C 34.770 0.400 1 978 349 101 TRP CD1 C 128.200 0.400 1 979 349 101 TRP CE3 C 121.181 0.400 1 980 349 101 TRP CZ2 C 116.523 0.400 1 981 349 101 TRP CH2 C 125.132 0.400 1 982 349 101 TRP N N 117.835 0.400 1 983 349 101 TRP NE1 N 129.617 0.400 1 984 350 102 SER H H 10.075 0.020 1 985 350 102 SER HA H 4.345 0.020 1 986 350 102 SER HB2 H 4.119 0.020 2 987 350 102 SER HB3 H 3.842 0.020 2 988 350 102 SER CA C 61.623 0.400 1 989 350 102 SER CB C 65.905 0.400 1 990 350 102 SER N N 122.776 0.400 1 991 351 103 GLY H H 8.993 0.020 1 992 351 103 GLY HA2 H 4.604 0.020 2 993 351 103 GLY HA3 H 3.962 0.020 2 994 351 103 GLY CA C 49.389 0.400 1 995 351 103 GLY N N 116.668 0.400 1 996 352 104 SER H H 8.677 0.020 1 997 352 104 SER CA C 56.986 0.400 1 998 352 104 SER CB C 66.412 0.400 1 999 352 104 SER N N 117.618 0.400 1 1000 353 105 THR H H 7.602 0.020 1 1001 353 105 THR HA H 4.531 0.020 1 1002 353 105 THR HB H 4.593 0.020 1 1003 353 105 THR HG2 H 1.515 0.020 1 1004 353 105 THR CA C 62.907 0.400 1 1005 353 105 THR CB C 73.001 0.400 1 1006 353 105 THR CG2 C 24.516 0.400 1 1007 353 105 THR N N 110.188 0.400 1 1008 355 107 TYR HA H 4.748 0.020 1 1009 355 107 TYR HB2 H 3.202 0.020 2 1010 355 107 TYR HB3 H 3.021 0.020 2 1011 355 107 TYR HD1 H 7.129 0.020 1 1012 355 107 TYR HD2 H 7.129 0.020 1 1013 355 107 TYR HE1 H 6.794 0.020 1 1014 355 107 TYR HE2 H 6.794 0.020 1 1015 355 107 TYR CA C 57.862 0.400 1 1016 355 107 TYR CB C 37.747 0.400 1 1017 355 107 TYR CD1 C 134.210 0.400 1 1018 357 109 THR HA H 4.291 0.020 1 1019 357 109 THR HB H 4.319 0.020 1 1020 357 109 THR HG2 H 1.152 0.020 1 1021 357 109 THR CA C 63.828 0.400 1 1022 357 109 THR CB C 70.673 0.400 1 1023 357 109 THR CG2 C 23.325 0.400 1 1024 358 110 ALA H H 7.766 0.020 1 1025 358 110 ALA HA H 4.786 0.020 1 1026 358 110 ALA HB H 1.384 0.020 1 1027 358 110 ALA CA C 51.881 0.400 1 1028 358 110 ALA CB C 21.483 0.400 1 1029 358 110 ALA N N 123.518 0.400 1 1030 359 111 PRO HA H 4.787 0.020 1 1031 359 111 PRO HB2 H 2.555 0.020 2 1032 359 111 PRO HB3 H 2.555 0.020 2 1033 359 111 PRO HG2 H 2.374 0.020 2 1034 359 111 PRO HG3 H 1.926 0.020 2 1035 359 111 PRO HD2 H 4.028 0.020 2 1036 359 111 PRO HD3 H 3.672 0.020 2 1037 359 111 PRO CB C 33.538 0.400 1 1038 359 111 PRO CG C 29.705 0.400 1 1039 359 111 PRO CD C 52.242 0.400 1 1040 360 112 HIS HA H 5.226 0.020 1 1041 360 112 HIS HB2 H 3.301 0.020 2 1042 360 112 HIS HB3 H 2.677 0.020 2 1043 360 112 HIS HD2 H 7.165 0.020 1 1044 360 112 HIS CA C 57.339 0.400 1 1045 360 112 HIS CB C 31.306 0.400 1 1046 361 113 LEU H H 9.085 0.020 1 1047 361 113 LEU HA H 4.913 0.020 1 1048 361 113 LEU HB2 H 2.171 0.020 2 1049 361 113 LEU HB3 H 2.047 0.020 2 1050 361 113 LEU HG H 1.317 0.020 1 1051 361 113 LEU HD1 H 1.229 0.020 2 1052 361 113 LEU HD2 H 1.472 0.020 2 1053 361 113 LEU CA C 55.524 0.400 1 1054 361 113 LEU CB C 46.618 0.400 1 1055 361 113 LEU CD1 C 28.473 0.400 1 1056 361 113 LEU CD2 C 25.663 0.400 1 1057 361 113 LEU N N 119.429 0.400 1 1058 362 114 HIS H H 6.859 0.020 1 1059 362 114 HIS HA H 5.896 0.020 1 1060 362 114 HIS HB2 H 3.647 0.020 2 1061 362 114 HIS HB3 H 3.111 0.020 2 1062 362 114 HIS HD2 H 6.562 0.020 1 1063 362 114 HIS HE1 H 7.287 0.020 1 1064 362 114 HIS HE2 H 12.794 0.020 1 1065 362 114 HIS CA C 56.704 0.400 1 1066 362 114 HIS CB C 36.179 0.400 1 1067 362 114 HIS CD2 C 120.420 0.400 1 1068 362 114 HIS CE1 C 139.383 0.400 1 1069 362 114 HIS N N 124.130 0.400 1 1070 362 114 HIS NE2 N 163.370 0.400 1 1071 363 115 PHE H H 9.206 0.020 1 1072 363 115 PHE HA H 5.362 0.020 1 1073 363 115 PHE HB2 H 2.821 0.020 2 1074 363 115 PHE HB3 H 2.749 0.020 2 1075 363 115 PHE HD1 H 6.608 0.020 1 1076 363 115 PHE HD2 H 6.608 0.020 1 1077 363 115 PHE HE1 H 7.049 0.020 1 1078 363 115 PHE HE2 H 7.049 0.020 1 1079 363 115 PHE HZ H 7.069 0.020 1 1080 363 115 PHE CA C 57.567 0.400 1 1081 363 115 PHE CB C 43.583 0.400 1 1082 363 115 PHE CD1 C 132.696 0.400 1 1083 363 115 PHE CE1 C 132.709 0.400 1 1084 363 115 PHE CZ C 130.284 0.400 1 1085 363 115 PHE N N 129.498 0.400 1 1086 364 116 GLN H H 7.992 0.020 1 1087 364 116 GLN HA H 4.666 0.020 1 1088 364 116 GLN HB2 H 2.182 0.020 2 1089 364 116 GLN HB3 H 2.182 0.020 2 1090 364 116 GLN HG2 H 2.936 0.020 2 1091 364 116 GLN HG3 H 2.936 0.020 2 1092 364 116 GLN CA C 54.999 0.400 1 1093 364 116 GLN CB C 35.103 0.400 1 1094 364 116 GLN CG C 34.599 0.400 1 1095 364 116 GLN N N 129.005 0.400 1 1096 365 117 ARG H H 9.645 0.020 1 1097 365 117 ARG HA H 5.198 0.020 1 1098 365 117 ARG HB2 H 1.544 0.020 2 1099 365 117 ARG HB3 H 0.994 0.020 2 1100 365 117 ARG HG2 H 1.296 0.020 2 1101 365 117 ARG HG3 H 1.296 0.020 2 1102 365 117 ARG HD2 H 2.924 0.020 2 1103 365 117 ARG HD3 H 2.552 0.020 2 1104 365 117 ARG HE H 9.416 0.020 1 1105 365 117 ARG CA C 56.610 0.400 1 1106 365 117 ARG CB C 35.413 0.400 1 1107 365 117 ARG CG C 31.117 0.400 1 1108 365 117 ARG CD C 45.665 0.400 1 1109 365 117 ARG N N 128.357 0.400 1 1110 365 117 ARG NE N 86.649 0.400 1 1111 366 118 MET H H 9.259 0.020 1 1112 366 118 MET HA H 4.961 0.020 1 1113 366 118 MET HB2 H 2.488 0.020 2 1114 366 118 MET HB3 H 0.966 0.020 2 1115 366 118 MET HG2 H 2.906 0.020 2 1116 366 118 MET HG3 H 1.906 0.020 2 1117 366 118 MET HE H 1.248 0.020 1 1118 366 118 MET CA C 55.282 0.400 1 1119 366 118 MET CB C 39.135 0.400 1 1120 366 118 MET CG C 31.436 0.400 1 1121 366 118 MET CE C 17.901 0.400 1 1122 366 118 MET N N 125.751 0.400 1 1123 367 119 VAL H H 7.194 0.020 1 1124 367 119 VAL HA H 4.047 0.020 1 1125 367 119 VAL HB H 1.679 0.020 1 1126 367 119 VAL HG1 H 0.475 0.020 2 1127 367 119 VAL HG2 H 0.724 0.020 2 1128 367 119 VAL CA C 62.085 0.400 1 1129 367 119 VAL CB C 35.245 0.400 1 1130 367 119 VAL CG1 C 23.459 0.400 1 1131 367 119 VAL CG2 C 21.080 0.400 1 1132 367 119 VAL N N 113.739 0.400 1 1133 368 120 ASN H H 7.769 0.020 1 1134 368 120 ASN HA H 4.106 0.020 1 1135 368 120 ASN HB2 H 3.206 0.020 2 1136 368 120 ASN HB3 H 2.641 0.020 2 1137 368 120 ASN HD21 H 7.505 0.020 2 1138 368 120 ASN HD22 H 6.707 0.020 2 1139 368 120 ASN CA C 59.974 0.400 1 1140 368 120 ASN CB C 39.317 0.400 1 1141 368 120 ASN N N 116.442 0.400 1 1142 368 120 ASN ND2 N 112.264 0.400 1 1143 369 121 SER H H 8.489 0.020 1 1144 369 121 SER HA H 4.112 0.020 1 1145 369 121 SER HB2 H 3.627 0.020 2 1146 369 121 SER HB3 H 3.567 0.020 2 1147 369 121 SER CA C 58.207 0.400 1 1148 369 121 SER CB C 66.276 0.400 1 1149 369 121 SER N N 114.680 0.400 1 1150 370 122 PHE H H 8.378 0.020 1 1151 370 122 PHE HA H 3.700 0.020 1 1152 370 122 PHE HB2 H 2.545 0.020 2 1153 370 122 PHE HB3 H 2.112 0.020 2 1154 370 122 PHE HD1 H 5.985 0.020 1 1155 370 122 PHE HD2 H 5.985 0.020 1 1156 370 122 PHE HE1 H 6.711 0.020 1 1157 370 122 PHE HE2 H 6.711 0.020 1 1158 370 122 PHE HZ H 7.008 0.020 1 1159 370 122 PHE CA C 59.033 0.400 1 1160 370 122 PHE CB C 38.486 0.400 1 1161 370 122 PHE CD1 C 133.679 0.400 1 1162 370 122 PHE CE1 C 130.307 0.400 1 1163 370 122 PHE CZ C 132.606 0.400 1 1164 370 122 PHE N N 119.199 0.400 1 1165 371 123 SER H H 6.946 0.020 1 1166 371 123 SER HA H 4.451 0.020 1 1167 371 123 SER HB2 H 3.781 0.020 2 1168 371 123 SER HB3 H 3.562 0.020 2 1169 371 123 SER CA C 58.007 0.400 1 1170 371 123 SER CB C 65.794 0.400 1 1171 371 123 SER N N 118.824 0.400 1 1172 372 124 ASN HA H 3.982 0.020 1 1173 372 124 ASN HB2 H 2.163 0.020 2 1174 372 124 ASN HB3 H 0.592 0.020 2 1175 372 124 ASN HD21 H 7.366 0.020 2 1176 372 124 ASN HD22 H 6.641 0.020 2 1177 372 124 ASN CA C 57.067 0.400 1 1178 372 124 ASN CB C 37.024 0.400 1 1179 372 124 ASN ND2 N 110.986 0.400 1 1180 373 125 SER H H 8.103 0.020 1 1181 373 125 SER HA H 4.158 0.020 1 1182 373 125 SER HB2 H 3.868 0.020 2 1183 373 125 SER HB3 H 3.868 0.020 2 1184 373 125 SER CA C 62.464 0.400 1 1185 373 125 SER CB C 64.445 0.400 1 1186 373 125 SER N N 112.189 0.400 1 1187 374 126 THR H H 7.082 0.020 1 1188 374 126 THR HA H 4.491 0.020 1 1189 374 126 THR HB H 5.043 0.020 1 1190 374 126 THR HG2 H 0.998 0.020 1 1191 374 126 THR CA C 61.828 0.400 1 1192 374 126 THR CB C 69.414 0.400 1 1193 374 126 THR CG2 C 23.859 0.400 1 1194 374 126 THR N N 108.526 0.400 1 1195 375 127 ALA H H 7.294 0.020 1 1196 375 127 ALA HA H 4.786 0.020 1 1197 375 127 ALA HB H 1.912 0.020 1 1198 375 127 ALA CA C 53.812 0.400 1 1199 375 127 ALA CB C 21.682 0.400 1 1200 375 127 ALA N N 123.807 0.400 1 1201 376 128 GLN H H 8.215 0.020 1 1202 376 128 GLN HA H 4.419 0.020 1 1203 376 128 GLN HB2 H 1.886 0.020 2 1204 376 128 GLN HB3 H 1.695 0.020 2 1205 376 128 GLN HG2 H 2.189 0.020 2 1206 376 128 GLN HG3 H 1.937 0.020 2 1207 376 128 GLN HE21 H 7.379 0.020 2 1208 376 128 GLN HE22 H 6.822 0.020 2 1209 376 128 GLN CA C 53.729 0.400 1 1210 376 128 GLN CB C 33.883 0.400 1 1211 376 128 GLN CG C 34.946 0.400 1 1212 376 128 GLN N N 117.243 0.400 1 1213 376 128 GLN NE2 N 110.730 0.400 1 1214 377 129 ASP H H 8.085 0.020 1 1215 377 129 ASP HA H 3.724 0.020 1 1216 377 129 ASP HB2 H 2.548 0.020 2 1217 377 129 ASP HB3 H 2.217 0.020 2 1218 377 129 ASP CA C 53.071 0.400 1 1219 377 129 ASP CB C 41.865 0.400 1 1220 377 129 ASP N N 121.613 0.400 1 1221 378 130 PRO HA H 4.749 0.020 1 1222 378 130 PRO HB2 H 2.238 0.020 2 1223 378 130 PRO HB3 H 2.238 0.020 2 1224 378 130 PRO HG2 H 2.190 0.020 2 1225 378 130 PRO HG3 H 1.887 0.020 2 1226 378 130 PRO HD2 H 4.495 0.020 2 1227 378 130 PRO HD3 H 3.983 0.020 2 1228 378 130 PRO CA C 64.393 0.400 1 1229 378 130 PRO CB C 34.165 0.400 1 1230 378 130 PRO CG C 28.613 0.400 1 1231 378 130 PRO CD C 51.242 0.400 1 1232 379 131 MET H H 8.517 0.020 1 1233 379 131 MET HA H 4.671 0.020 1 1234 379 131 MET HB2 H 2.342 0.020 2 1235 379 131 MET HB3 H 2.138 0.020 2 1236 379 131 MET HG2 H 2.844 0.020 2 1237 379 131 MET HG3 H 2.793 0.020 2 1238 379 131 MET HE H 1.973 0.020 1 1239 379 131 MET CA C 59.854 0.400 1 1240 379 131 MET CB C 28.516 0.400 1 1241 379 131 MET CG C 33.626 0.400 1 1242 379 131 MET CE C 17.097 0.400 1 1243 379 131 MET N N 120.932 0.400 1 1244 380 132 PRO HA H 4.168 0.020 1 1245 380 132 PRO HB2 H 2.323 0.020 2 1246 380 132 PRO HB3 H 1.881 0.020 2 1247 380 132 PRO HG2 H 2.093 0.020 2 1248 380 132 PRO HG3 H 1.902 0.020 2 1249 380 132 PRO HD2 H 3.627 0.020 2 1250 380 132 PRO HD3 H 3.478 0.020 2 1251 380 132 PRO CA C 68.139 0.400 1 1252 380 132 PRO CB C 32.249 0.400 1 1253 380 132 PRO CG C 29.850 0.400 1 1254 380 132 PRO CD C 50.941 0.400 1 1255 381 133 PHE H H 7.607 0.020 1 1256 381 133 PHE HA H 4.173 0.020 1 1257 381 133 PHE HB2 H 3.152 0.020 2 1258 381 133 PHE HB3 H 2.977 0.020 2 1259 381 133 PHE HD1 H 6.825 0.020 1 1260 381 133 PHE HD2 H 6.825 0.020 1 1261 381 133 PHE HE1 H 6.946 0.020 1 1262 381 133 PHE HE2 H 6.946 0.020 1 1263 381 133 PHE HZ H 6.440 0.020 1 1264 381 133 PHE CA C 61.431 0.400 1 1265 381 133 PHE CB C 40.390 0.400 1 1266 381 133 PHE CD1 C 132.800 0.400 1 1267 381 133 PHE CE1 C 131.787 0.400 1 1268 381 133 PHE CZ C 131.731 0.400 1 1269 381 133 PHE N N 119.033 0.400 1 1270 382 134 LEU H H 8.788 0.020 1 1271 382 134 LEU HA H 3.279 0.020 1 1272 382 134 LEU HB2 H 2.016 0.020 2 1273 382 134 LEU HB3 H 0.897 0.020 2 1274 382 134 LEU HG H 1.923 0.020 1 1275 382 134 LEU HD1 H 0.672 0.020 2 1276 382 134 LEU HD2 H 0.334 0.020 2 1277 382 134 LEU CA C 59.501 0.400 1 1278 382 134 LEU CB C 41.813 0.400 1 1279 382 134 LEU CG C 28.407 0.400 1 1280 382 134 LEU CD1 C 27.389 0.400 1 1281 382 134 LEU CD2 C 24.412 0.400 1 1282 382 134 LEU N N 120.928 0.400 1 1283 383 135 LYS H H 8.860 0.020 1 1284 383 135 LYS HA H 4.642 0.020 1 1285 383 135 LYS HB2 H 1.885 0.020 2 1286 383 135 LYS HB3 H 1.885 0.020 2 1287 383 135 LYS HG2 H 1.665 0.020 2 1288 383 135 LYS HG3 H 1.487 0.020 2 1289 383 135 LYS HD2 H 1.628 0.020 2 1290 383 135 LYS HD3 H 1.628 0.020 2 1291 383 135 LYS HE2 H 2.938 0.020 2 1292 383 135 LYS HE3 H 2.938 0.020 2 1293 383 135 LYS CA C 60.937 0.400 1 1294 383 135 LYS CB C 33.544 0.400 1 1295 383 135 LYS CG C 27.140 0.400 1 1296 383 135 LYS CD C 30.732 0.400 1 1297 383 135 LYS CE C 43.590 0.400 1 1298 383 135 LYS N N 119.782 0.400 1 1299 384 136 SER H H 7.979 0.020 1 1300 384 136 SER HA H 4.137 0.020 1 1301 384 136 SER HB2 H 3.858 0.020 2 1302 384 136 SER HB3 H 3.858 0.020 2 1303 384 136 SER CA C 62.609 0.400 1 1304 384 136 SER CB C 64.190 0.400 1 1305 384 136 SER N N 117.786 0.400 1 1306 385 137 ALA H H 7.277 0.020 1 1307 385 137 ALA HA H 4.427 0.020 1 1308 385 137 ALA HB H 0.836 0.020 1 1309 385 137 ALA CA C 52.415 0.400 1 1310 385 137 ALA CB C 20.282 0.400 1 1311 385 137 ALA N N 122.190 0.400 1 1312 386 138 GLY H H 7.551 0.020 1 1313 386 138 GLY HA2 H 4.384 0.020 2 1314 386 138 GLY HA3 H 3.599 0.020 2 1315 386 138 GLY CA C 46.949 0.400 1 1316 386 138 GLY N N 106.789 0.400 1 1317 387 139 TYR H H 8.303 0.020 1 1318 387 139 TYR HA H 4.184 0.020 1 1319 387 139 TYR HB2 H 2.512 0.020 2 1320 387 139 TYR HB3 H 2.104 0.020 2 1321 387 139 TYR HD1 H 6.701 0.020 1 1322 387 139 TYR HD2 H 6.701 0.020 1 1323 387 139 TYR HE1 H 6.697 0.020 1 1324 387 139 TYR HE2 H 6.697 0.020 1 1325 387 139 TYR CA C 60.653 0.400 1 1326 387 139 TYR CB C 40.563 0.400 1 1327 387 139 TYR CD1 C 134.288 0.400 1 1328 387 139 TYR CE1 C 119.430 0.400 1 1329 387 139 TYR N N 122.039 0.400 1 1330 388 140 GLY H H 8.636 0.020 1 1331 388 140 GLY HA2 H 3.739 0.020 2 1332 388 140 GLY HA3 H 3.127 0.020 2 1333 388 140 GLY CA C 46.238 0.400 1 1334 388 140 GLY N N 116.498 0.400 1 1335 389 141 LYS H H 7.570 0.020 1 1336 389 141 LYS HA H 4.236 0.020 1 1337 389 141 LYS HG2 H 1.467 0.020 2 1338 389 141 LYS HG3 H 1.467 0.020 2 1339 389 141 LYS HD2 H 1.615 0.020 2 1340 389 141 LYS HD3 H 1.615 0.020 2 1341 389 141 LYS HE2 H 3.130 0.020 2 1342 389 141 LYS HE3 H 2.933 0.020 2 1343 389 141 LYS CA C 57.219 0.400 1 1344 389 141 LYS CB C 34.798 0.400 1 1345 389 141 LYS CG C 24.322 0.400 1 1346 389 141 LYS CD C 30.426 0.400 1 1347 389 141 LYS CE C 42.942 0.400 1 1348 389 141 LYS N N 120.299 0.400 1 1349 390 142 ALA HA H 4.286 0.020 1 1350 390 142 ALA HB H 1.355 0.020 1 1351 390 142 ALA CA C 53.803 0.400 1 1352 390 142 ALA CB C 20.864 0.400 1 1353 392 144 GLY HA2 H 3.990 0.020 2 1354 392 144 GLY HA3 H 3.990 0.020 2 1355 392 144 GLY CA C 46.666 0.400 1 1356 393 145 THR H H 8.068 0.020 1 1357 393 145 THR HA H 4.366 0.020 1 1358 393 145 THR HB H 4.126 0.020 1 1359 393 145 THR HG2 H 1.162 0.020 1 1360 393 145 THR CA C 63.298 0.400 1 1361 393 145 THR CB C 71.463 0.400 1 1362 393 145 THR CG2 C 23.076 0.400 1 1363 393 145 THR N N 113.982 0.400 1 1364 394 146 VAL H H 8.228 0.020 1 1365 394 146 VAL HA H 4.190 0.020 1 1366 394 146 VAL HB H 2.037 0.020 1 1367 394 146 VAL HG1 H 0.883 0.020 2 1368 394 146 VAL HG2 H 0.907 0.020 2 1369 394 146 VAL CA C 63.495 0.400 1 1370 394 146 VAL CB C 34.402 0.400 1 1371 394 146 VAL CG1 C 22.505 0.400 1 1372 394 146 VAL CG2 C 21.919 0.400 1 1373 394 146 VAL N N 122.908 0.400 1 1374 395 147 THR H H 8.303 0.020 1 1375 395 147 THR HA H 4.567 0.020 1 1376 395 147 THR HB H 4.169 0.020 1 1377 395 147 THR HG2 H 1.252 0.020 1 1378 395 147 THR CA C 61.150 0.400 1 1379 395 147 THR CB C 71.258 0.400 1 1380 395 147 THR CG2 C 23.008 0.400 1 1381 395 147 THR N N 121.447 0.400 1 1382 396 148 PRO HA H 4.444 0.020 1 1383 396 148 PRO HB2 H 2.276 0.020 2 1384 396 148 PRO HB3 H 1.881 0.020 2 1385 396 148 PRO HG2 H 2.018 0.020 2 1386 396 148 PRO HG3 H 1.987 0.020 2 1387 396 148 PRO HD2 H 3.866 0.020 2 1388 396 148 PRO HD3 H 3.728 0.020 2 1389 396 148 PRO CA C 64.470 0.400 1 1390 396 148 PRO CB C 33.667 0.400 1 1391 396 148 PRO CG C 28.799 0.400 1 1392 396 148 PRO CD C 52.726 0.400 1 1393 397 149 THR H H 8.280 0.020 1 1394 397 149 THR HA H 4.574 0.020 1 1395 397 149 THR HB H 4.094 0.020 1 1396 397 149 THR HG2 H 1.229 0.020 1 1397 397 149 THR CA C 61.152 0.400 1 1398 397 149 THR CB C 71.127 0.400 1 1399 397 149 THR CG2 C 22.953 0.400 1 1400 397 149 THR N N 116.677 0.400 1 1401 398 150 PRO HA H 4.577 0.020 1 1402 398 150 PRO HB2 H 2.262 0.020 2 1403 398 150 PRO HB3 H 1.882 0.020 2 1404 398 150 PRO HG2 H 1.985 0.020 2 1405 398 150 PRO HG3 H 1.985 0.020 2 1406 398 150 PRO HD2 H 3.833 0.020 2 1407 398 150 PRO HD3 H 3.720 0.020 2 1408 398 150 PRO CA C 61.133 0.400 1 1409 398 150 PRO CB C 33.581 0.400 1 1410 398 150 PRO CG C 29.052 0.400 1 1411 398 150 PRO CD C 52.664 0.400 1 1412 399 151 ASN HA H 4.769 0.020 1 1413 399 151 ASN HB2 H 2.809 0.020 2 1414 399 151 ASN HB3 H 2.809 0.020 2 1415 399 151 ASN HD21 H 7.594 0.020 2 1416 399 151 ASN HD22 H 6.844 0.020 2 1417 399 151 ASN CB C 40.028 0.400 1 1418 399 151 ASN ND2 N 112.567 0.400 1 1419 401 153 GLY HA2 H 3.933 0.020 2 1420 401 153 GLY HA3 H 3.807 0.020 2 1421 401 153 GLY CA C 46.615 0.400 1 1422 402 154 TRP H H 7.930 0.020 1 1423 402 154 TRP HA H 4.346 0.020 1 1424 402 154 TRP HB2 H 2.990 0.020 2 1425 402 154 TRP HB3 H 2.962 0.020 2 1426 402 154 TRP HD1 H 7.194 0.020 1 1427 402 154 TRP HE1 H 9.086 0.020 1 1428 402 154 TRP HE3 H 7.160 0.020 1 1429 402 154 TRP HZ2 H 7.338 0.020 1 1430 402 154 TRP HZ3 H 6.696 0.020 1 1431 402 154 TRP HH2 H 6.765 0.020 1 1432 402 154 TRP CA C 58.580 0.400 1 1433 402 154 TRP CB C 31.587 0.400 1 1434 402 154 TRP CD1 C 129.454 0.400 1 1435 402 154 TRP CE3 C 121.673 0.400 1 1436 402 154 TRP CZ2 C 115.395 0.400 1 1437 402 154 TRP CZ3 C 123.078 0.400 1 1438 402 154 TRP CH2 C 125.488 0.400 1 1439 402 154 TRP N N 119.375 0.400 1 1440 402 154 TRP NE1 N 129.024 0.400 1 1441 403 155 LYS H H 8.792 0.020 1 1442 403 155 LYS HA H 4.497 0.020 1 1443 403 155 LYS HB2 H 1.534 0.020 2 1444 403 155 LYS HB3 H 0.623 0.020 2 1445 403 155 LYS HG2 H 1.297 0.020 2 1446 403 155 LYS HG3 H 1.297 0.020 2 1447 403 155 LYS HD2 H 1.620 0.020 2 1448 403 155 LYS HD3 H 1.620 0.020 2 1449 403 155 LYS HE2 H 2.915 0.020 2 1450 403 155 LYS HE3 H 2.915 0.020 2 1451 403 155 LYS CA C 56.619 0.400 1 1452 403 155 LYS CB C 36.360 0.400 1 1453 403 155 LYS CG C 26.752 0.400 1 1454 403 155 LYS CD C 30.587 0.400 1 1455 403 155 LYS CE C 43.782 0.400 1 1456 403 155 LYS N N 124.236 0.400 1 1457 404 156 THR H H 8.263 0.020 1 1458 404 156 THR HA H 5.580 0.020 1 1459 404 156 THR HB H 3.956 0.020 1 1460 404 156 THR HG2 H 1.268 0.020 1 1461 404 156 THR CA C 62.491 0.400 1 1462 404 156 THR CB C 72.245 0.400 1 1463 404 156 THR CG2 C 22.789 0.400 1 1464 404 156 THR N N 112.720 0.400 1 1465 405 157 ASN H H 8.397 0.020 1 1466 405 157 ASN HA H 5.209 0.020 1 1467 405 157 ASN HB2 H 3.667 0.020 2 1468 405 157 ASN HB3 H 2.975 0.020 2 1469 405 157 ASN HD21 H 7.817 0.020 2 1470 405 157 ASN HD22 H 7.512 0.020 2 1471 405 157 ASN CA C 52.127 0.400 1 1472 405 157 ASN CB C 41.032 0.400 1 1473 405 157 ASN N N 122.903 0.400 1 1474 405 157 ASN ND2 N 111.579 0.400 1 1475 406 158 LYS HA H 4.083 0.020 1 1476 406 158 LYS HB2 H 1.684 0.020 2 1477 406 158 LYS HB3 H 1.504 0.020 2 1478 406 158 LYS HG2 H 1.002 0.020 2 1479 406 158 LYS HG3 H 0.482 0.020 2 1480 406 158 LYS HD2 H 1.429 0.020 2 1481 406 158 LYS HD3 H 1.429 0.020 2 1482 406 158 LYS HE2 H 2.747 0.020 2 1483 406 158 LYS HE3 H 2.747 0.020 2 1484 406 158 LYS CA C 59.866 0.400 1 1485 406 158 LYS CB C 33.027 0.400 1 1486 406 158 LYS CG C 24.809 0.400 1 1487 406 158 LYS CD C 30.642 0.400 1 1488 406 158 LYS CE C 43.443 0.400 1 1489 407 159 TYR H H 7.487 0.020 1 1490 407 159 TYR HA H 4.639 0.020 1 1491 407 159 TYR HB2 H 3.448 0.020 2 1492 407 159 TYR HB3 H 2.892 0.020 2 1493 407 159 TYR HD1 H 7.061 0.020 1 1494 407 159 TYR HD2 H 7.061 0.020 1 1495 407 159 TYR HE1 H 6.776 0.020 1 1496 407 159 TYR HE2 H 6.776 0.020 1 1497 407 159 TYR CA C 58.784 0.400 1 1498 407 159 TYR CB C 39.622 0.400 1 1499 407 159 TYR CD1 C 134.373 0.400 1 1500 407 159 TYR CE1 C 119.768 0.400 1 1501 407 159 TYR N N 117.311 0.400 1 1502 408 160 GLY H H 8.235 0.020 1 1503 408 160 GLY HA2 H 4.403 0.020 2 1504 408 160 GLY HA3 H 3.665 0.020 2 1505 408 160 GLY CA C 46.687 0.400 1 1506 408 160 GLY N N 106.379 0.400 1 1507 409 161 THR H H 7.876 0.020 1 1508 409 161 THR HA H 3.989 0.020 1 1509 409 161 THR HB H 4.089 0.020 1 1510 409 161 THR HG2 H 1.017 0.020 1 1511 409 161 THR CA C 64.332 0.400 1 1512 409 161 THR CB C 70.236 0.400 1 1513 409 161 THR CG2 C 25.441 0.400 1 1514 409 161 THR N N 120.093 0.400 1 1515 410 162 LEU H H 7.501 0.020 1 1516 410 162 LEU HA H 5.667 0.020 1 1517 410 162 LEU HB2 H 1.381 0.020 2 1518 410 162 LEU HB3 H 1.295 0.020 2 1519 410 162 LEU HG H 1.689 0.020 1 1520 410 162 LEU HD1 H 0.723 0.020 2 1521 410 162 LEU HD2 H 0.690 0.020 2 1522 410 162 LEU CA C 55.301 0.400 1 1523 410 162 LEU CB C 45.370 0.400 1 1524 410 162 LEU CG C 29.269 0.400 1 1525 410 162 LEU CD1 C 27.310 0.400 1 1526 410 162 LEU CD2 C 26.614 0.400 1 1527 410 162 LEU N N 129.703 0.400 1 1528 411 163 TYR H H 9.868 0.020 1 1529 411 163 TYR HA H 6.142 0.020 1 1530 411 163 TYR HB2 H 3.057 0.020 2 1531 411 163 TYR HB3 H 2.792 0.020 2 1532 411 163 TYR HD1 H 6.976 0.020 1 1533 411 163 TYR HD2 H 6.976 0.020 1 1534 411 163 TYR HE1 H 6.571 0.020 1 1535 411 163 TYR HE2 H 6.571 0.020 1 1536 411 163 TYR CA C 57.864 0.400 1 1537 411 163 TYR CB C 45.048 0.400 1 1538 411 163 TYR CD1 C 135.212 0.400 1 1539 411 163 TYR CE1 C 119.255 0.400 1 1540 411 163 TYR N N 121.232 0.400 1 1541 412 164 LYS H H 8.868 0.020 1 1542 412 164 LYS HA H 4.354 0.020 1 1543 412 164 LYS HB2 H 0.993 0.020 2 1544 412 164 LYS HB3 H 0.870 0.020 2 1545 412 164 LYS HG2 H 0.439 0.020 2 1546 412 164 LYS HG3 H 0.382 0.020 2 1547 412 164 LYS HD2 H 0.404 0.020 2 1548 412 164 LYS HD3 H 0.253 0.020 2 1549 412 164 LYS HE2 H 2.031 0.020 2 1550 412 164 LYS HE3 H 2.031 0.020 2 1551 412 164 LYS CA C 56.645 0.400 1 1552 412 164 LYS CB C 36.766 0.400 1 1553 412 164 LYS CG C 24.702 0.400 1 1554 412 164 LYS CD C 30.094 0.400 1 1555 412 164 LYS CE C 42.867 0.400 1 1556 412 164 LYS N N 116.912 0.400 1 1557 413 165 SER H H 8.526 0.020 1 1558 413 165 SER HA H 4.708 0.020 1 1559 413 165 SER HB2 H 3.950 0.020 2 1560 413 165 SER HB3 H 3.789 0.020 2 1561 413 165 SER CA C 60.341 0.400 1 1562 413 165 SER CB C 64.399 0.400 1 1563 413 165 SER N N 117.528 0.400 1 1564 414 166 GLU H H 7.371 0.020 1 1565 414 166 GLU HA H 4.116 0.020 1 1566 414 166 GLU HB2 H 1.899 0.020 2 1567 414 166 GLU HB3 H 1.804 0.020 2 1568 414 166 GLU HG2 H 2.065 0.020 2 1569 414 166 GLU HG3 H 1.869 0.020 2 1570 414 166 GLU CA C 58.519 0.400 1 1571 414 166 GLU CB C 35.049 0.400 1 1572 414 166 GLU CG C 38.867 0.400 1 1573 414 166 GLU N N 127.551 0.400 1 1574 415 167 SER H H 7.985 0.020 1 1575 415 167 SER HA H 5.272 0.020 1 1576 415 167 SER HB2 H 3.730 0.020 2 1577 415 167 SER HB3 H 3.661 0.020 2 1578 415 167 SER CA C 57.337 0.400 1 1579 415 167 SER CB C 66.224 0.400 1 1580 415 167 SER N N 116.547 0.400 1 1581 416 168 ALA H H 6.848 0.020 1 1582 416 168 ALA HA H 4.271 0.020 1 1583 416 168 ALA HB H 1.279 0.020 1 1584 416 168 ALA CA C 52.889 0.400 1 1585 416 168 ALA CB C 21.131 0.400 1 1586 416 168 ALA N N 125.845 0.400 1 1587 417 169 SER H H 8.372 0.020 1 1588 417 169 SER HA H 5.467 0.020 1 1589 417 169 SER HB2 H 3.519 0.020 2 1590 417 169 SER HB3 H 3.519 0.020 2 1591 417 169 SER CA C 58.060 0.400 1 1592 417 169 SER CB C 67.530 0.400 1 1593 417 169 SER N N 112.917 0.400 1 1594 418 170 PHE H H 9.211 0.020 1 1595 418 170 PHE HA H 5.608 0.020 1 1596 418 170 PHE HB2 H 3.164 0.020 2 1597 418 170 PHE HB3 H 2.713 0.020 2 1598 418 170 PHE HD1 H 6.957 0.020 1 1599 418 170 PHE HD2 H 6.957 0.020 1 1600 418 170 PHE HE1 H 7.131 0.020 1 1601 418 170 PHE HE2 H 7.131 0.020 1 1602 418 170 PHE HZ H 6.938 0.020 1 1603 418 170 PHE CA C 57.475 0.400 1 1604 418 170 PHE CB C 44.477 0.400 1 1605 418 170 PHE CD1 C 132.686 0.400 1 1606 418 170 PHE CE1 C 131.187 0.400 1 1607 418 170 PHE CZ C 132.142 0.400 1 1608 418 170 PHE N N 121.564 0.400 1 1609 419 171 THR H H 7.976 0.020 1 1610 419 171 THR HA H 4.890 0.020 1 1611 419 171 THR HB H 3.689 0.020 1 1612 419 171 THR HG2 H 0.895 0.020 1 1613 419 171 THR CA C 59.776 0.400 1 1614 419 171 THR CB C 72.173 0.400 1 1615 419 171 THR CG2 C 21.695 0.400 1 1616 419 171 THR N N 123.878 0.400 1 1617 420 172 PRO HA H 4.875 0.020 1 1618 420 172 PRO HB2 H 2.710 0.020 2 1619 420 172 PRO HB3 H 2.629 0.020 2 1620 420 172 PRO HG2 H 2.127 0.020 2 1621 420 172 PRO HG3 H 1.888 0.020 2 1622 420 172 PRO HD2 H 4.115 0.020 2 1623 420 172 PRO HD3 H 3.348 0.020 2 1624 420 172 PRO CA C 63.664 0.400 1 1625 420 172 PRO CB C 34.773 0.400 1 1626 420 172 PRO CG C 28.790 0.400 1 1627 420 172 PRO CD C 53.489 0.400 1 1628 421 173 ASN H H 8.708 0.020 1 1629 421 173 ASN HA H 4.810 0.020 1 1630 421 173 ASN HB2 H 3.196 0.020 2 1631 421 173 ASN HB3 H 2.764 0.020 2 1632 421 173 ASN HD21 H 7.425 0.020 2 1633 421 173 ASN HD22 H 6.917 0.020 2 1634 421 173 ASN CA C 52.904 0.400 1 1635 421 173 ASN CB C 39.589 0.400 1 1636 421 173 ASN N N 119.750 0.400 1 1637 421 173 ASN ND2 N 107.392 0.400 1 1638 422 174 THR H H 7.577 0.020 1 1639 422 174 THR HA H 4.396 0.020 1 1640 422 174 THR HB H 3.937 0.020 1 1641 422 174 THR HG2 H 0.907 0.020 1 1642 422 174 THR CA C 60.579 0.400 1 1643 422 174 THR CB C 71.043 0.400 1 1644 422 174 THR CG2 C 19.702 0.400 1 1645 422 174 THR N N 113.780 0.400 1 1646 423 175 ASP H H 7.755 0.020 1 1647 423 175 ASP HA H 5.177 0.020 1 1648 423 175 ASP HB2 H 2.564 0.020 2 1649 423 175 ASP HB3 H 2.284 0.020 2 1650 423 175 ASP CA C 56.003 0.400 1 1651 423 175 ASP CB C 41.675 0.400 1 1652 423 175 ASP N N 122.472 0.400 1 1653 424 176 ILE H H 9.007 0.020 1 1654 424 176 ILE HA H 4.267 0.020 1 1655 424 176 ILE HB H 1.702 0.020 1 1656 424 176 ILE HG12 H 1.991 0.020 2 1657 424 176 ILE HG13 H 0.988 0.020 2 1658 424 176 ILE HG2 H 1.261 0.020 1 1659 424 176 ILE HD1 H 1.470 0.020 1 1660 424 176 ILE CA C 62.450 0.400 1 1661 424 176 ILE CB C 44.621 0.400 1 1662 424 176 ILE CG1 C 29.294 0.400 1 1663 424 176 ILE CG2 C 20.478 0.400 1 1664 424 176 ILE CD1 C 16.612 0.400 1 1665 424 176 ILE N N 124.208 0.400 1 1666 425 177 ILE H H 8.394 0.020 1 1667 425 177 ILE HA H 4.288 0.020 1 1668 425 177 ILE HB H 1.816 0.020 1 1669 425 177 ILE HG12 H 1.719 0.020 2 1670 425 177 ILE HG13 H 1.147 0.020 2 1671 425 177 ILE HG2 H 1.022 0.020 1 1672 425 177 ILE HD1 H 0.868 0.020 1 1673 425 177 ILE CA C 64.264 0.400 1 1674 425 177 ILE CB C 39.603 0.400 1 1675 425 177 ILE CG1 C 29.953 0.400 1 1676 425 177 ILE CG2 C 19.018 0.400 1 1677 425 177 ILE CD1 C 14.548 0.400 1 1678 425 177 ILE N N 127.561 0.400 1 1679 426 178 THR H H 8.410 0.020 1 1680 426 178 THR HA H 5.059 0.020 1 1681 426 178 THR HB H 4.364 0.020 1 1682 426 178 THR HG2 H 1.368 0.020 1 1683 426 178 THR CA C 61.204 0.400 1 1684 426 178 THR CB C 71.818 0.400 1 1685 426 178 THR CG2 C 25.276 0.400 1 1686 426 178 THR N N 118.490 0.400 1 1687 427 179 ARG H H 9.649 0.020 1 1688 427 179 ARG HA H 5.557 0.020 1 1689 427 179 ARG HB2 H 2.342 0.020 2 1690 427 179 ARG HB3 H 2.042 0.020 2 1691 427 179 ARG HG2 H 2.228 0.020 2 1692 427 179 ARG HG3 H 1.766 0.020 2 1693 427 179 ARG HD2 H 3.251 0.020 2 1694 427 179 ARG HD3 H 3.109 0.020 2 1695 427 179 ARG HE H 7.859 0.020 1 1696 427 179 ARG CA C 55.214 0.400 1 1697 427 179 ARG CB C 35.209 0.400 1 1698 427 179 ARG CG C 28.307 0.400 1 1699 427 179 ARG CD C 44.987 0.400 1 1700 427 179 ARG N N 119.814 0.400 1 1701 427 179 ARG NE N 86.303 0.400 1 1702 428 180 THR H H 8.177 0.020 1 1703 428 180 THR HA H 4.992 0.020 1 1704 428 180 THR HB H 4.561 0.020 1 1705 428 180 THR HG2 H 1.182 0.020 1 1706 428 180 THR CA C 61.614 0.400 1 1707 428 180 THR CB C 72.376 0.400 1 1708 428 180 THR CG2 C 22.895 0.400 1 1709 428 180 THR N N 109.186 0.400 1 1710 429 181 THR H H 9.053 0.020 1 1711 429 181 THR HA H 4.876 0.020 1 1712 429 181 THR HB H 3.466 0.020 1 1713 429 181 THR HG2 H 1.093 0.020 1 1714 429 181 THR CA C 68.052 0.400 1 1715 429 181 THR CB C 70.740 0.400 1 1716 429 181 THR CG2 C 23.423 0.400 1 1717 429 181 THR N N 107.552 0.400 1 1718 430 182 GLY H H 9.208 0.020 1 1719 430 182 GLY HA2 H 3.284 0.020 2 1720 430 182 GLY HA3 H 2.292 0.020 2 1721 430 182 GLY CA C 46.704 0.400 1 1722 430 182 GLY N N 114.482 0.400 1 1723 431 183 PRO HA H 2.392 0.020 1 1724 431 183 PRO HB2 H 0.258 0.020 2 1725 431 183 PRO HB3 H 0.091 0.020 2 1726 431 183 PRO HG2 H 1.215 0.020 2 1727 431 183 PRO HG3 H 0.540 0.020 2 1728 431 183 PRO HD2 H 2.694 0.020 2 1729 431 183 PRO HD3 H 2.094 0.020 2 1730 431 183 PRO CA C 61.210 0.400 1 1731 431 183 PRO CB C 28.541 0.400 1 1732 431 183 PRO CG C 28.453 0.400 1 1733 431 183 PRO CD C 49.730 0.400 1 1734 432 184 PHE H H 6.992 0.020 1 1735 432 184 PHE HA H 4.754 0.020 1 1736 432 184 PHE HB2 H 3.038 0.020 2 1737 432 184 PHE HB3 H 2.490 0.020 2 1738 432 184 PHE HD1 H 6.754 0.020 1 1739 432 184 PHE HD2 H 6.754 0.020 1 1740 432 184 PHE HE1 H 6.969 0.020 1 1741 432 184 PHE HE2 H 6.969 0.020 1 1742 432 184 PHE HZ H 6.947 0.020 1 1743 432 184 PHE CA C 57.230 0.400 1 1744 432 184 PHE CB C 45.005 0.400 1 1745 432 184 PHE CD1 C 133.214 0.400 1 1746 432 184 PHE CE1 C 131.812 0.400 1 1747 432 184 PHE CZ C 130.558 0.400 1 1748 432 184 PHE N N 111.078 0.400 1 1749 433 185 ARG H H 9.906 0.020 1 1750 433 185 ARG HA H 4.206 0.020 1 1751 433 185 ARG HB2 H 2.147 0.020 2 1752 433 185 ARG HB3 H 2.147 0.020 2 1753 433 185 ARG HG2 H 2.079 0.020 2 1754 433 185 ARG HG3 H 1.946 0.020 2 1755 433 185 ARG HD2 H 3.313 0.020 2 1756 433 185 ARG HD3 H 3.151 0.020 2 1757 433 185 ARG HE H 8.115 0.020 1 1758 433 185 ARG CA C 59.907 0.400 1 1759 433 185 ARG CB C 31.543 0.400 1 1760 433 185 ARG CG C 29.351 0.400 1 1761 433 185 ARG CD C 45.486 0.400 1 1762 433 185 ARG N N 121.846 0.400 1 1763 433 185 ARG NE N 84.913 0.400 1 1764 434 186 SER H H 7.589 0.020 1 1765 434 186 SER HA H 4.324 0.020 1 1766 434 186 SER HB2 H 4.010 0.020 2 1767 434 186 SER HB3 H 3.761 0.020 2 1768 434 186 SER CA C 59.333 0.400 1 1769 434 186 SER CB C 64.487 0.400 1 1770 434 186 SER N N 108.094 0.400 1 1771 435 187 MET H H 7.434 0.020 1 1772 435 187 MET HA H 4.659 0.020 1 1773 435 187 MET HB2 H 2.583 0.020 2 1774 435 187 MET HB3 H 2.480 0.020 2 1775 435 187 MET HG2 H 2.962 0.020 2 1776 435 187 MET HG3 H 2.536 0.020 2 1777 435 187 MET HE H 1.597 0.020 1 1778 435 187 MET CA C 55.112 0.400 1 1779 435 187 MET CB C 32.608 0.400 1 1780 435 187 MET CG C 37.026 0.400 1 1781 435 187 MET CE C 20.608 0.400 1 1782 435 187 MET N N 121.713 0.400 1 1783 436 188 PRO HA H 4.343 0.020 1 1784 436 188 PRO HB2 H 2.308 0.020 2 1785 436 188 PRO HB3 H 1.880 0.020 2 1786 436 188 PRO HG2 H 1.982 0.020 2 1787 436 188 PRO HG3 H 1.982 0.020 2 1788 436 188 PRO HD2 H 3.838 0.020 2 1789 436 188 PRO HD3 H 3.446 0.020 2 1790 436 188 PRO CA C 64.608 0.400 1 1791 436 188 PRO CB C 33.356 0.400 1 1792 436 188 PRO CG C 29.535 0.400 1 1793 436 188 PRO CD C 52.254 0.400 1 1794 437 189 GLN H H 8.562 0.020 1 1795 437 189 GLN HA H 4.680 0.020 1 1796 437 189 GLN HB2 H 2.115 0.020 2 1797 437 189 GLN HB3 H 2.053 0.020 2 1798 437 189 GLN HG2 H 2.708 0.020 2 1799 437 189 GLN HG3 H 2.270 0.020 2 1800 437 189 GLN HE21 H 7.039 0.020 2 1801 437 189 GLN HE22 H 6.960 0.020 2 1802 437 189 GLN CA C 57.488 0.400 1 1803 437 189 GLN CB C 30.262 0.400 1 1804 437 189 GLN CG C 35.361 0.400 1 1805 437 189 GLN N N 120.934 0.400 1 1806 437 189 GLN NE2 N 109.969 0.400 1 1807 438 190 SER H H 9.205 0.020 1 1808 438 190 SER HA H 4.514 0.020 1 1809 438 190 SER HB2 H 3.866 0.020 2 1810 438 190 SER HB3 H 3.713 0.020 2 1811 438 190 SER CA C 59.254 0.400 1 1812 438 190 SER CB C 64.890 0.400 1 1813 438 190 SER N N 120.424 0.400 1 1814 439 191 GLY H H 7.446 0.020 1 1815 439 191 GLY HA2 H 4.107 0.020 2 1816 439 191 GLY HA3 H 4.107 0.020 2 1817 439 191 GLY CA C 46.840 0.400 1 1818 439 191 GLY N N 107.952 0.400 1 1819 440 192 VAL H H 8.279 0.020 1 1820 440 192 VAL HA H 4.717 0.020 1 1821 440 192 VAL HB H 1.871 0.020 1 1822 440 192 VAL HG1 H 0.871 0.020 2 1823 440 192 VAL HG2 H 0.728 0.020 2 1824 440 192 VAL CA C 62.659 0.400 1 1825 440 192 VAL CB C 36.925 0.400 1 1826 440 192 VAL CG1 C 23.117 0.400 1 1827 440 192 VAL CG2 C 22.406 0.400 1 1828 440 192 VAL N N 121.714 0.400 1 1829 441 193 LEU H H 9.656 0.020 1 1830 441 193 LEU HA H 4.642 0.020 1 1831 441 193 LEU HB2 H 2.018 0.020 2 1832 441 193 LEU HB3 H 1.257 0.020 2 1833 441 193 LEU HG H 1.643 0.020 1 1834 441 193 LEU HD1 H 0.992 0.020 2 1835 441 193 LEU HD2 H 0.992 0.020 2 1836 441 193 LEU CA C 55.262 0.400 1 1837 441 193 LEU CB C 44.423 0.400 1 1838 441 193 LEU CG C 29.330 0.400 1 1839 441 193 LEU CD1 C 29.467 0.400 1 1840 441 193 LEU CD2 C 25.578 0.400 1 1841 441 193 LEU N N 132.011 0.400 1 1842 442 194 LYS H H 8.033 0.020 1 1843 442 194 LYS HA H 4.253 0.020 1 1844 442 194 LYS HB2 H 1.759 0.020 2 1845 442 194 LYS HB3 H 1.535 0.020 2 1846 442 194 LYS HG2 H 1.404 0.020 2 1847 442 194 LYS HG3 H 1.404 0.020 2 1848 442 194 LYS HD2 H 1.608 0.020 2 1849 442 194 LYS HD3 H 1.608 0.020 2 1850 442 194 LYS HE2 H 3.045 0.020 2 1851 442 194 LYS HE3 H 2.913 0.020 2 1852 442 194 LYS CA C 56.555 0.400 1 1853 442 194 LYS CB C 34.188 0.400 1 1854 442 194 LYS CG C 26.278 0.400 1 1855 442 194 LYS CD C 29.585 0.400 1 1856 442 194 LYS CE C 43.195 0.400 1 1857 442 194 LYS N N 124.839 0.400 1 1858 443 195 ALA H H 8.187 0.020 1 1859 443 195 ALA HA H 3.521 0.020 1 1860 443 195 ALA HB H 0.996 0.020 1 1861 443 195 ALA CA C 54.775 0.400 1 1862 443 195 ALA CB C 19.261 0.400 1 1863 443 195 ALA N N 120.094 0.400 1 1864 444 196 GLY H H 8.321 0.020 1 1865 444 196 GLY HA2 H 4.219 0.020 2 1866 444 196 GLY HA3 H 3.382 0.020 2 1867 444 196 GLY CA C 46.770 0.400 1 1868 444 196 GLY N N 108.414 0.400 1 1869 445 197 GLN H H 8.029 0.020 1 1870 445 197 GLN HA H 4.360 0.020 1 1871 445 197 GLN HB2 H 2.197 0.020 2 1872 445 197 GLN HB3 H 2.091 0.020 2 1873 445 197 GLN HG2 H 2.276 0.020 2 1874 445 197 GLN HG3 H 2.202 0.020 2 1875 445 197 GLN HE21 H 7.514 0.020 2 1876 445 197 GLN HE22 H 6.796 0.020 2 1877 445 197 GLN CA C 57.026 0.400 1 1878 445 197 GLN CB C 30.212 0.400 1 1879 445 197 GLN CG C 35.989 0.400 1 1880 445 197 GLN N N 121.635 0.400 1 1881 445 197 GLN NE2 N 111.980 0.400 1 1882 446 198 THR H H 7.801 0.020 1 1883 446 198 THR HA H 4.800 0.020 1 1884 446 198 THR HB H 3.655 0.020 1 1885 446 198 THR HG2 H 0.909 0.020 1 1886 446 198 THR CA C 64.826 0.400 1 1887 446 198 THR CB C 71.834 0.400 1 1888 446 198 THR CG2 C 23.834 0.400 1 1889 446 198 THR N N 117.875 0.400 1 1890 447 199 ILE H H 8.822 0.020 1 1891 447 199 ILE HA H 4.503 0.020 1 1892 447 199 ILE HB H 1.172 0.020 1 1893 447 199 ILE HG12 H 1.489 0.020 2 1894 447 199 ILE HG13 H 0.910 0.020 2 1895 447 199 ILE HG2 H 0.681 0.020 1 1896 447 199 ILE HD1 H 0.676 0.020 1 1897 447 199 ILE CA C 59.335 0.400 1 1898 447 199 ILE CB C 44.241 0.400 1 1899 447 199 ILE CG1 C 28.080 0.400 1 1900 447 199 ILE CG2 C 23.537 0.400 1 1901 447 199 ILE CD1 C 18.095 0.400 1 1902 447 199 ILE N N 120.119 0.400 1 1903 448 200 HIS H H 8.428 0.020 1 1904 448 200 HIS HA H 5.007 0.020 1 1905 448 200 HIS HB2 H 3.119 0.020 2 1906 448 200 HIS HB3 H 2.915 0.020 2 1907 448 200 HIS HD2 H 6.971 0.020 1 1908 448 200 HIS CA C 56.627 0.400 1 1909 448 200 HIS CB C 31.443 0.400 1 1910 448 200 HIS CD2 C 121.439 0.400 1 1911 448 200 HIS N N 122.000 0.400 1 1912 449 201 TYR H H 8.526 0.020 1 1913 449 201 TYR HA H 5.287 0.020 1 1914 449 201 TYR HB2 H 3.839 0.020 2 1915 449 201 TYR HB3 H 2.401 0.020 2 1916 449 201 TYR HD1 H 6.325 0.020 1 1917 449 201 TYR HD2 H 6.325 0.020 1 1918 449 201 TYR HE1 H 6.325 0.020 1 1919 449 201 TYR HE2 H 6.325 0.020 1 1920 449 201 TYR CA C 57.335 0.400 1 1921 449 201 TYR CB C 42.940 0.400 1 1922 449 201 TYR CD1 C 120.260 0.400 1 1923 449 201 TYR CE1 C 118.431 0.400 1 1924 449 201 TYR N N 122.184 0.400 1 1925 450 202 ASP H H 8.796 0.020 1 1926 450 202 ASP HA H 5.364 0.020 1 1927 450 202 ASP HB2 H 2.990 0.020 2 1928 450 202 ASP HB3 H 2.529 0.020 2 1929 450 202 ASP CA C 55.299 0.400 1 1930 450 202 ASP CB C 44.051 0.400 1 1931 450 202 ASP N N 114.431 0.400 1 1932 451 203 GLU H H 7.988 0.020 1 1933 451 203 GLU HA H 5.083 0.020 1 1934 451 203 GLU HB2 H 1.887 0.020 2 1935 451 203 GLU HB3 H 1.887 0.020 2 1936 451 203 GLU HG2 H 2.296 0.020 2 1937 451 203 GLU HG3 H 2.218 0.020 2 1938 451 203 GLU CA C 57.477 0.400 1 1939 451 203 GLU CB C 36.849 0.400 1 1940 451 203 GLU CG C 38.247 0.400 1 1941 451 203 GLU N N 121.940 0.400 1 1942 452 204 VAL H H 8.810 0.020 1 1943 452 204 VAL HA H 5.238 0.020 1 1944 452 204 VAL HB H 1.691 0.020 1 1945 452 204 VAL HG1 H 0.876 0.020 2 1946 452 204 VAL HG2 H 0.876 0.020 2 1947 452 204 VAL CA C 61.798 0.400 1 1948 452 204 VAL CB C 36.775 0.400 1 1949 452 204 VAL CG1 C 23.702 0.400 1 1950 452 204 VAL CG2 C 23.105 0.400 1 1951 452 204 VAL N N 122.809 0.400 1 1952 453 205 MET H H 9.478 0.020 1 1953 453 205 MET HA H 5.951 0.020 1 1954 453 205 MET HB2 H 1.990 0.020 2 1955 453 205 MET HB3 H 1.749 0.020 2 1956 453 205 MET HG2 H 2.558 0.020 2 1957 453 205 MET HG3 H 2.214 0.020 2 1958 453 205 MET HE H 1.864 0.020 1 1959 453 205 MET CA C 55.535 0.400 1 1960 453 205 MET CB C 41.402 0.400 1 1961 453 205 MET CG C 33.291 0.400 1 1962 453 205 MET CE C 19.648 0.400 1 1963 453 205 MET N N 122.361 0.400 1 1964 454 206 LYS H H 9.112 0.020 1 1965 454 206 LYS HA H 4.814 0.020 1 1966 454 206 LYS HB2 H 0.451 0.020 2 1967 454 206 LYS HB3 H -1.020 0.020 2 1968 454 206 LYS HG2 H 0.477 0.020 2 1969 454 206 LYS HG3 H 0.106 0.020 2 1970 454 206 LYS HD2 H 0.099 0.020 2 1971 454 206 LYS HD3 H -0.360 0.020 2 1972 454 206 LYS HE2 H 1.592 0.020 2 1973 454 206 LYS HE3 H 0.980 0.020 2 1974 454 206 LYS CA C 57.237 0.400 1 1975 454 206 LYS CB C 33.233 0.400 1 1976 454 206 LYS CG C 26.736 0.400 1 1977 454 206 LYS CD C 29.977 0.400 1 1978 454 206 LYS CE C 42.638 0.400 1 1979 454 206 LYS N N 119.990 0.400 1 1980 455 207 GLN H H 8.873 0.020 1 1981 455 207 GLN HA H 4.656 0.020 1 1982 455 207 GLN HB2 H 2.325 0.020 2 1983 455 207 GLN HB3 H 1.430 0.020 2 1984 455 207 GLN HG2 H 1.365 0.020 2 1985 455 207 GLN HG3 H 1.198 0.020 2 1986 455 207 GLN HE21 H 7.946 0.020 2 1987 455 207 GLN HE22 H 6.864 0.020 2 1988 455 207 GLN CA C 56.433 0.400 1 1989 455 207 GLN CB C 33.024 0.400 1 1990 455 207 GLN CG C 36.042 0.400 1 1991 455 207 GLN N N 122.032 0.400 1 1992 455 207 GLN NE2 N 116.774 0.400 1 1993 456 208 ASP H H 10.492 0.020 1 1994 456 208 ASP HA H 4.833 0.020 1 1995 456 208 ASP HB2 H 3.514 0.020 2 1996 456 208 ASP HB3 H 2.667 0.020 2 1997 456 208 ASP CA C 57.267 0.400 1 1998 456 208 ASP CB C 43.835 0.400 1 1999 456 208 ASP N N 129.841 0.400 1 2000 457 209 GLY H H 9.282 0.020 1 2001 457 209 GLY HA2 H 4.107 0.020 2 2002 457 209 GLY HA3 H 4.107 0.020 2 2003 457 209 GLY CA C 48.239 0.400 1 2004 457 209 GLY N N 103.394 0.400 1 2005 458 210 HIS H H 8.793 0.020 1 2006 458 210 HIS HA H 5.122 0.020 1 2007 458 210 HIS HB2 H 2.753 0.020 2 2008 458 210 HIS HB3 H 2.364 0.020 2 2009 458 210 HIS HD1 H 11.940 0.020 1 2010 458 210 HIS HD2 H 6.384 0.020 1 2011 458 210 HIS HE1 H 7.557 0.020 1 2012 458 210 HIS CA C 58.662 0.400 1 2013 458 210 HIS CB C 33.545 0.400 1 2014 458 210 HIS CD2 C 129.496 0.400 1 2015 458 210 HIS CE1 C 139.400 0.400 1 2016 458 210 HIS N N 118.515 0.400 1 2017 458 210 HIS ND1 N 167.207 0.400 1 2018 459 211 VAL H H 8.003 0.020 1 2019 459 211 VAL HA H 4.773 0.020 1 2020 459 211 VAL HB H 1.480 0.020 1 2021 459 211 VAL HG1 H 0.564 0.020 2 2022 459 211 VAL HG2 H 0.721 0.020 2 2023 459 211 VAL CA C 63.052 0.400 1 2024 459 211 VAL CB C 33.763 0.400 1 2025 459 211 VAL CG1 C 24.321 0.400 1 2026 459 211 VAL CG2 C 22.973 0.400 1 2027 459 211 VAL N N 118.399 0.400 1 2028 460 212 TRP H H 9.912 0.020 1 2029 460 212 TRP HA H 5.555 0.020 1 2030 460 212 TRP HB2 H 3.074 0.020 2 2031 460 212 TRP HB3 H 2.707 0.020 2 2032 460 212 TRP HD1 H 7.034 0.020 1 2033 460 212 TRP HE1 H 9.760 0.020 1 2034 460 212 TRP HE3 H 7.163 0.020 1 2035 460 212 TRP HZ2 H 7.345 0.020 1 2036 460 212 TRP HZ3 H 6.813 0.020 1 2037 460 212 TRP HH2 H 6.598 0.020 1 2038 460 212 TRP CA C 55.912 0.400 1 2039 460 212 TRP CB C 33.042 0.400 1 2040 460 212 TRP CD1 C 128.735 0.400 1 2041 460 212 TRP CE3 C 121.161 0.400 1 2042 460 212 TRP CZ2 C 115.464 0.400 1 2043 460 212 TRP CZ3 C 122.761 0.400 1 2044 460 212 TRP CH2 C 124.801 0.400 1 2045 460 212 TRP N N 126.670 0.400 1 2046 460 212 TRP NE1 N 132.484 0.400 1 2047 461 213 VAL H H 9.249 0.020 1 2048 461 213 VAL HA H 5.447 0.020 1 2049 461 213 VAL HB H 1.702 0.020 1 2050 461 213 VAL HG1 H -0.146 0.020 2 2051 461 213 VAL HG2 H 0.435 0.020 2 2052 461 213 VAL CA C 59.889 0.400 1 2053 461 213 VAL CB C 35.601 0.400 1 2054 461 213 VAL CG1 C 21.072 0.400 1 2055 461 213 VAL CG2 C 19.850 0.400 1 2056 461 213 VAL N N 111.379 0.400 1 2057 462 214 GLY H H 8.354 0.020 1 2058 462 214 GLY HA2 H 5.515 0.020 2 2059 462 214 GLY HA3 H 3.158 0.020 2 2060 462 214 GLY CA C 45.128 0.400 1 2061 462 214 GLY N N 106.826 0.400 1 2062 463 215 TYR H H 8.652 0.020 1 2063 463 215 TYR HA H 5.104 0.020 1 2064 463 215 TYR HB2 H 3.314 0.020 2 2065 463 215 TYR HB3 H 3.051 0.020 2 2066 463 215 TYR HD1 H 6.778 0.020 1 2067 463 215 TYR HD2 H 6.778 0.020 1 2068 463 215 TYR HE1 H 6.579 0.020 1 2069 463 215 TYR HE2 H 6.579 0.020 1 2070 463 215 TYR CA C 57.289 0.400 1 2071 463 215 TYR CB C 43.430 0.400 1 2072 463 215 TYR CD1 C 135.072 0.400 1 2073 463 215 TYR N N 118.371 0.400 1 2074 464 216 THR H H 8.760 0.020 1 2075 464 216 THR HA H 4.506 0.020 1 2076 464 216 THR HB H 4.048 0.020 1 2077 464 216 THR HG2 H 1.183 0.020 1 2078 464 216 THR CA C 63.620 0.400 1 2079 464 216 THR CB C 70.562 0.400 1 2080 464 216 THR CG2 C 23.829 0.400 1 2081 464 216 THR N N 117.244 0.400 1 2082 465 217 GLY H H 8.799 0.020 1 2083 465 217 GLY HA2 H 4.413 0.020 2 2084 465 217 GLY HA3 H 3.733 0.020 2 2085 465 217 GLY CA C 45.799 0.400 1 2086 465 217 GLY N N 114.409 0.400 1 2087 466 218 ASN HA H 4.471 0.020 1 2088 466 218 ASN HB2 H 2.877 0.020 2 2089 466 218 ASN HB3 H 2.877 0.020 2 2090 466 218 ASN HD21 H 7.642 0.020 2 2091 466 218 ASN HD22 H 6.988 0.020 2 2092 466 218 ASN CA C 57.078 0.400 1 2093 466 218 ASN CB C 39.742 0.400 1 2094 466 218 ASN ND2 N 112.367 0.400 1 2095 467 219 SER HA H 4.501 0.020 1 2096 467 219 SER HB2 H 3.973 0.020 2 2097 467 219 SER HB3 H 3.973 0.020 2 2098 467 219 SER CA C 59.386 0.400 1 2099 467 219 SER CB C 64.779 0.400 1 2100 468 220 GLY H H 8.019 0.020 1 2101 468 220 GLY HA2 H 4.219 0.020 2 2102 468 220 GLY HA3 H 3.468 0.020 2 2103 468 220 GLY CA C 46.853 0.400 1 2104 468 220 GLY N N 108.070 0.400 1 2105 469 221 GLN H H 8.131 0.020 1 2106 469 221 GLN HA H 4.389 0.020 1 2107 469 221 GLN HB2 H 1.980 0.020 2 2108 469 221 GLN HB3 H 1.884 0.020 2 2109 469 221 GLN HG2 H 2.345 0.020 2 2110 469 221 GLN HG3 H 2.257 0.020 2 2111 469 221 GLN HE21 H 7.494 0.020 2 2112 469 221 GLN HE22 H 6.915 0.020 2 2113 469 221 GLN CA C 56.033 0.400 1 2114 469 221 GLN CB C 31.404 0.400 1 2115 469 221 GLN CG C 35.080 0.400 1 2116 469 221 GLN N N 120.754 0.400 1 2117 469 221 GLN NE2 N 112.101 0.400 1 2118 470 222 ARG H H 8.435 0.020 1 2119 470 222 ARG HA H 4.448 0.020 1 2120 470 222 ARG HB2 H 1.672 0.020 2 2121 470 222 ARG HB3 H 1.464 0.020 2 2122 470 222 ARG HG2 H 1.607 0.020 2 2123 470 222 ARG HG3 H 1.449 0.020 2 2124 470 222 ARG HD2 H 2.947 0.020 2 2125 470 222 ARG HD3 H 2.855 0.020 2 2126 470 222 ARG HE H 6.514 0.020 1 2127 470 222 ARG CA C 55.984 0.400 1 2128 470 222 ARG CB C 30.968 0.400 1 2129 470 222 ARG CG C 26.760 0.400 1 2130 470 222 ARG CD C 43.026 0.400 1 2131 470 222 ARG N N 122.917 0.400 1 2132 470 222 ARG NE N 81.383 0.400 1 2133 471 223 ILE H H 8.518 0.020 1 2134 471 223 ILE HA H 4.275 0.020 1 2135 471 223 ILE HB H 0.481 0.020 1 2136 471 223 ILE HG12 H 1.037 0.020 2 2137 471 223 ILE HG13 H 0.809 0.020 2 2138 471 223 ILE HG2 H 0.831 0.020 1 2139 471 223 ILE HD1 H 0.560 0.020 1 2140 471 223 ILE CA C 60.971 0.400 1 2141 471 223 ILE CB C 40.528 0.400 1 2142 471 223 ILE CG1 C 28.464 0.400 1 2143 471 223 ILE CG2 C 20.548 0.400 1 2144 471 223 ILE CD1 C 13.766 0.400 1 2145 471 223 ILE N N 125.681 0.400 1 2146 472 224 TYR H H 8.762 0.020 1 2147 472 224 TYR HA H 5.334 0.020 1 2148 472 224 TYR HB2 H 2.498 0.020 2 2149 472 224 TYR HB3 H 2.498 0.020 2 2150 472 224 TYR HD1 H 6.603 0.020 1 2151 472 224 TYR HD2 H 6.603 0.020 1 2152 472 224 TYR HE1 H 6.382 0.020 1 2153 472 224 TYR HE2 H 6.382 0.020 1 2154 472 224 TYR CA C 58.082 0.400 1 2155 472 224 TYR CB C 43.022 0.400 1 2156 472 224 TYR CD1 C 134.617 0.400 1 2157 472 224 TYR CE1 C 118.473 0.400 1 2158 472 224 TYR N N 120.967 0.400 1 2159 473 225 LEU H H 9.357 0.020 1 2160 473 225 LEU HA H 5.311 0.020 1 2161 473 225 LEU HB2 H 1.980 0.020 2 2162 473 225 LEU HB3 H 1.660 0.020 2 2163 473 225 LEU HG H 1.799 0.020 1 2164 473 225 LEU HD1 H 0.891 0.020 2 2165 473 225 LEU HD2 H 0.919 0.020 2 2166 473 225 LEU CA C 53.780 0.400 1 2167 473 225 LEU CB C 45.117 0.400 1 2168 473 225 LEU CG C 27.056 0.400 1 2169 473 225 LEU CD1 C 29.445 0.400 1 2170 473 225 LEU CD2 C 29.875 0.400 1 2171 473 225 LEU N N 121.910 0.400 1 2172 474 226 PRO HA H 4.255 0.020 1 2173 474 226 PRO HB2 H 1.090 0.020 2 2174 474 226 PRO HB3 H -0.394 0.020 2 2175 474 226 PRO HG2 H 2.015 0.020 2 2176 474 226 PRO HG3 H 1.156 0.020 2 2177 474 226 PRO HD2 H 3.708 0.020 2 2178 474 226 PRO HD3 H 3.486 0.020 2 2179 474 226 PRO CA C 62.982 0.400 1 2180 474 226 PRO CB C 31.812 0.400 1 2181 474 226 PRO CG C 27.249 0.400 1 2182 474 226 PRO CD C 51.147 0.400 1 2183 475 227 VAL H H 8.221 0.020 1 2184 475 227 VAL HA H 4.346 0.020 1 2185 475 227 VAL HB H 1.515 0.020 1 2186 475 227 VAL HG1 H -0.268 0.020 2 2187 475 227 VAL HG2 H 0.057 0.020 2 2188 475 227 VAL CA C 61.654 0.400 1 2189 475 227 VAL CB C 34.234 0.400 1 2190 475 227 VAL CG1 C 23.027 0.400 1 2191 475 227 VAL CG2 C 18.646 0.400 1 2192 475 227 VAL N N 105.683 0.400 1 2193 476 228 ARG H H 6.714 0.020 1 2194 476 228 ARG HA H 2.984 0.020 1 2195 476 228 ARG HB2 H 1.776 0.020 2 2196 476 228 ARG HB3 H 1.283 0.020 2 2197 476 228 ARG HG2 H 1.607 0.020 2 2198 476 228 ARG HG3 H 1.155 0.020 2 2199 476 228 ARG HD2 H 3.061 0.020 2 2200 476 228 ARG HD3 H 2.604 0.020 2 2201 476 228 ARG HE H 7.135 0.020 1 2202 476 228 ARG CA C 55.245 0.400 1 2203 476 228 ARG CB C 33.327 0.400 1 2204 476 228 ARG CG C 22.462 0.400 1 2205 476 228 ARG CD C 45.926 0.400 1 2206 476 228 ARG N N 110.336 0.400 1 2207 476 228 ARG NE N 80.396 0.400 1 2208 477 229 THR H H 8.999 0.020 1 2209 477 229 THR HA H 4.220 0.020 1 2210 477 229 THR HB H 4.091 0.020 1 2211 477 229 THR HG2 H 1.336 0.020 1 2212 477 229 THR CA C 63.560 0.400 1 2213 477 229 THR CB C 72.166 0.400 1 2214 477 229 THR CG2 C 23.606 0.400 1 2215 477 229 THR N N 110.972 0.400 1 2216 478 230 TRP H H 8.000 0.020 1 2217 478 230 TRP HA H 4.977 0.020 1 2218 478 230 TRP HB2 H 2.736 0.020 2 2219 478 230 TRP HB3 H 2.481 0.020 2 2220 478 230 TRP HD1 H 6.662 0.020 1 2221 478 230 TRP HE1 H 10.238 0.020 1 2222 478 230 TRP HE3 H 7.207 0.020 1 2223 478 230 TRP HZ2 H 7.314 0.020 1 2224 478 230 TRP HZ3 H 6.821 0.020 1 2225 478 230 TRP HH2 H 7.122 0.020 1 2226 478 230 TRP CA C 57.248 0.400 1 2227 478 230 TRP CB C 32.452 0.400 1 2228 478 230 TRP CD1 C 126.536 0.400 1 2229 478 230 TRP CE3 C 121.954 0.400 1 2230 478 230 TRP CZ2 C 115.545 0.400 1 2231 478 230 TRP CZ3 C 123.098 0.400 1 2232 478 230 TRP CH2 C 126.503 0.400 1 2233 478 230 TRP N N 122.256 0.400 1 2234 478 230 TRP NE1 N 128.854 0.400 1 2235 479 231 ASN H H 7.973 0.020 1 2236 479 231 ASN HA H 4.321 0.020 1 2237 479 231 ASN HB2 H 2.756 0.020 2 2238 479 231 ASN HB3 H 2.321 0.020 2 2239 479 231 ASN HD21 H 7.366 0.020 2 2240 479 231 ASN HD22 H 6.876 0.020 2 2241 479 231 ASN CA C 52.611 0.400 1 2242 479 231 ASN CB C 40.470 0.400 1 2243 479 231 ASN N N 126.463 0.400 1 2244 479 231 ASN ND2 N 112.657 0.400 1 2245 480 232 LYS H H 7.758 0.020 1 2246 480 232 LYS HA H 2.792 0.020 1 2247 480 232 LYS HB2 H 0.895 0.020 2 2248 480 232 LYS HB3 H 0.895 0.020 2 2249 480 232 LYS HG2 H 1.105 0.020 2 2250 480 232 LYS HG3 H 1.075 0.020 2 2251 480 232 LYS HD2 H 1.543 0.020 2 2252 480 232 LYS HD3 H 1.543 0.020 2 2253 480 232 LYS HE2 H 2.959 0.020 2 2254 480 232 LYS HE3 H 2.959 0.020 2 2255 480 232 LYS CA C 59.671 0.400 1 2256 480 232 LYS CB C 33.801 0.400 1 2257 480 232 LYS CG C 25.248 0.400 1 2258 480 232 LYS CD C 31.096 0.400 1 2259 480 232 LYS CE C 43.679 0.400 1 2260 480 232 LYS N N 125.152 0.400 1 2261 481 233 SER H H 8.017 0.020 1 2262 481 233 SER HA H 4.243 0.020 1 2263 481 233 SER HB2 H 3.946 0.020 2 2264 481 233 SER HB3 H 3.946 0.020 2 2265 481 233 SER CA C 62.658 0.400 1 2266 481 233 SER CB C 64.143 0.400 1 2267 481 233 SER N N 113.607 0.400 1 2268 482 234 THR H H 7.002 0.020 1 2269 482 234 THR HA H 4.316 0.020 1 2270 482 234 THR HB H 4.332 0.020 1 2271 482 234 THR HG2 H 1.005 0.020 1 2272 482 234 THR CA C 62.324 0.400 1 2273 482 234 THR CB C 71.052 0.400 1 2274 482 234 THR CG2 C 22.963 0.400 1 2275 482 234 THR N N 106.834 0.400 1 2276 483 235 ASN H H 8.245 0.020 1 2277 483 235 ASN HA H 4.366 0.020 1 2278 483 235 ASN HB2 H 3.314 0.020 2 2279 483 235 ASN HB3 H 2.637 0.020 2 2280 483 235 ASN HD21 H 7.643 0.020 2 2281 483 235 ASN HD22 H 6.741 0.020 2 2282 483 235 ASN CA C 55.336 0.400 1 2283 483 235 ASN CB C 39.315 0.400 1 2284 483 235 ASN N N 120.724 0.400 1 2285 483 235 ASN ND2 N 111.745 0.400 1 2286 484 236 THR H H 7.347 0.020 1 2287 484 236 THR HA H 4.414 0.020 1 2288 484 236 THR HB H 3.901 0.020 1 2289 484 236 THR HG2 H 1.103 0.020 1 2290 484 236 THR CA C 63.122 0.400 1 2291 484 236 THR CB C 71.973 0.400 1 2292 484 236 THR CG2 C 23.417 0.400 1 2293 484 236 THR N N 109.899 0.400 1 2294 485 237 LEU H H 8.685 0.020 1 2295 485 237 LEU HA H 5.023 0.020 1 2296 485 237 LEU HB2 H 1.757 0.020 2 2297 485 237 LEU HB3 H 1.367 0.020 2 2298 485 237 LEU HG H 1.701 0.020 1 2299 485 237 LEU HD1 H 0.800 0.020 2 2300 485 237 LEU HD2 H 0.759 0.020 2 2301 485 237 LEU CA C 54.651 0.400 1 2302 485 237 LEU CB C 45.387 0.400 1 2303 485 237 LEU CG C 28.003 0.400 1 2304 485 237 LEU CD1 C 26.895 0.400 1 2305 485 237 LEU CD2 C 25.986 0.400 1 2306 485 237 LEU N N 124.758 0.400 1 2307 486 238 GLY H H 8.429 0.020 1 2308 486 238 GLY HA2 H 4.146 0.020 2 2309 486 238 GLY HA3 H 4.146 0.020 2 2310 486 238 GLY CA C 44.669 0.400 1 2311 486 238 GLY N N 110.245 0.400 1 2312 487 239 VAL H H 8.241 0.020 1 2313 487 239 VAL HA H 3.932 0.020 1 2314 487 239 VAL HB H 2.121 0.020 1 2315 487 239 VAL HG1 H 1.101 0.020 2 2316 487 239 VAL HG2 H 1.101 0.020 2 2317 487 239 VAL CA C 64.148 0.400 1 2318 487 239 VAL CB C 33.737 0.400 1 2319 487 239 VAL CG1 C 22.385 0.400 1 2320 487 239 VAL N N 119.620 0.400 1 2321 488 240 LEU H H 8.335 0.020 1 2322 488 240 LEU HA H 4.089 0.020 1 2323 488 240 LEU HB2 H 1.948 0.020 2 2324 488 240 LEU HB3 H 1.383 0.020 2 2325 488 240 LEU HG H 1.556 0.020 1 2326 488 240 LEU HD1 H 0.939 0.020 2 2327 488 240 LEU HD2 H 0.806 0.020 2 2328 488 240 LEU CA C 57.106 0.400 1 2329 488 240 LEU CB C 45.364 0.400 1 2330 488 240 LEU CG C 28.854 0.400 1 2331 488 240 LEU CD1 C 27.695 0.400 1 2332 488 240 LEU CD2 C 25.936 0.400 1 2333 488 240 LEU N N 125.164 0.400 1 2334 489 241 TRP H H 8.863 0.020 1 2335 489 241 TRP HA H 5.182 0.020 1 2336 489 241 TRP HB2 H 3.522 0.020 2 2337 489 241 TRP HB3 H 3.301 0.020 2 2338 489 241 TRP HD1 H 7.100 0.020 1 2339 489 241 TRP HE1 H 9.930 0.020 1 2340 489 241 TRP HE3 H 7.486 0.020 1 2341 489 241 TRP HZ2 H 7.487 0.020 1 2342 489 241 TRP HZ3 H 6.671 0.020 1 2343 489 241 TRP HH2 H 7.276 0.020 1 2344 489 241 TRP CA C 56.639 0.400 1 2345 489 241 TRP CB C 27.971 0.400 1 2346 489 241 TRP CD1 C 126.435 0.400 1 2347 489 241 TRP CE3 C 122.208 0.400 1 2348 489 241 TRP CZ2 C 115.189 0.400 1 2349 489 241 TRP CZ3 C 122.158 0.400 1 2350 489 241 TRP CH2 C 125.392 0.400 1 2351 489 241 TRP N N 130.070 0.400 1 2352 489 241 TRP NE1 N 127.108 0.400 1 2353 490 242 GLY H H 7.614 0.020 1 2354 490 242 GLY HA2 H 4.585 0.020 2 2355 490 242 GLY HA3 H 3.689 0.020 2 2356 490 242 GLY CA C 47.439 0.400 1 2357 490 242 GLY N N 105.242 0.400 1 2358 491 243 THR H H 7.923 0.020 1 2359 491 243 THR HA H 4.643 0.020 1 2360 491 243 THR HB H 3.797 0.020 1 2361 491 243 THR HG2 H 1.139 0.020 1 2362 491 243 THR CA C 62.607 0.400 1 2363 491 243 THR CB C 73.540 0.400 1 2364 491 243 THR CG2 C 23.223 0.400 1 2365 491 243 THR N N 114.334 0.400 1 2366 492 244 ILE H H 8.777 0.020 1 2367 492 244 ILE HA H 5.376 0.020 1 2368 492 244 ILE HB H 1.687 0.020 1 2369 492 244 ILE HG12 H 1.856 0.020 2 2370 492 244 ILE HG13 H 1.445 0.020 2 2371 492 244 ILE HG2 H 1.049 0.020 1 2372 492 244 ILE HD1 H 0.933 0.020 1 2373 492 244 ILE CA C 61.744 0.400 1 2374 492 244 ILE CB C 42.038 0.400 1 2375 492 244 ILE CG1 C 31.475 0.400 1 2376 492 244 ILE CG2 C 19.128 0.400 1 2377 492 244 ILE CD1 C 14.919 0.400 1 2378 492 244 ILE N N 128.149 0.400 1 2379 493 245 LYS H H 8.343 0.020 1 2380 493 245 LYS HA H 4.300 0.020 1 2381 493 245 LYS HB2 H 1.656 0.020 2 2382 493 245 LYS HB3 H 1.594 0.020 2 2383 493 245 LYS HG2 H 1.309 0.020 2 2384 493 245 LYS HG3 H 1.309 0.020 2 2385 493 245 LYS HD2 H 1.750 0.020 2 2386 493 245 LYS HD3 H 1.750 0.020 2 2387 493 245 LYS HE2 H 2.947 0.020 2 2388 493 245 LYS HE3 H 2.947 0.020 2 2389 493 245 LYS CA C 59.662 0.400 1 2390 493 245 LYS CB C 37.204 0.400 1 2391 493 245 LYS CG C 26.181 0.400 1 2392 493 245 LYS N N 131.460 0.400 1 stop_ save_