data_27446 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the apo-form of the human C-terminal domain of UDP-Glucuronsyltransferase A1 (UGT1A) ; _BMRB_accession_number 27446 _BMRB_flat_file_name bmr27446.str _Entry_type original _Submission_date 2018-04-10 _Accession_date 2018-04-10 _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 Osborne Michael J. . 2 'Coutinho de Oliveira' Luciana . . 3 Volpon Laurent . . 4 Borden Katherine LB . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 157 "13C chemical shifts" 469 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-19 update BMRB 'update entry citation' 2018-08-15 original author 'original release' stop_ _Original_release_date 2018-04-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone assignment of the apo-form of the human C-terminal domain of UDP-glucuronosyltransferase 1A (UGT1A) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29934866 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Osborne Michael J. . 2 'Coutinho de Oliveira' Luciana . . 3 Volpon Laurent . . 4 Borden Katherine LB . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 315 _Page_last 318 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ct of UGT1A4 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ct of UGT1A4 monomer' $C-terminus_of_UGT1A4 stop_ _System_molecular_weight 20085.05 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C-terminus_of_UGT1A4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C-terminus_of_UGT1A4 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'cytosolic glycosyltransferase' stop_ _Details ; The actual sequence of the protein (i.e. native residues) is from Gly 284 to Asp 450. The residues 275-283 and 451 - 456 are cloning artefacts. ; ############################## # Polymer residue sequence # ############################## _Residue_count 182 _Mol_residue_sequence ; MDIGINSDPGKPLSQEFEAY INASGEHGIVVFSLGSMVSE IPEKKAMAIADALGKIPQTV LWRYTGTRPSNLANNTILVK WLPQNDLLGHPMTRAFITHA GSHGVYESICNGVPMVMMPL FGDQMDNAKRMETKGAGVTL NVLEMTSEDLENALKAVIND KSYKENIMRLSSLHKDENLY FQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 275 MET 2 276 ASP 3 277 ILE 4 278 GLY 5 279 ILE 6 280 ASN 7 281 SER 8 282 ASP 9 283 PRO 10 284 GLY 11 285 LYS 12 286 PRO 13 287 LEU 14 288 SER 15 289 GLN 16 290 GLU 17 291 PHE 18 292 GLU 19 293 ALA 20 294 TYR 21 295 ILE 22 296 ASN 23 297 ALA 24 298 SER 25 299 GLY 26 300 GLU 27 301 HIS 28 302 GLY 29 303 ILE 30 304 VAL 31 305 VAL 32 306 PHE 33 307 SER 34 308 LEU 35 309 GLY 36 310 SER 37 311 MET 38 312 VAL 39 313 SER 40 314 GLU 41 315 ILE 42 316 PRO 43 317 GLU 44 318 LYS 45 319 LYS 46 320 ALA 47 321 MET 48 322 ALA 49 323 ILE 50 324 ALA 51 325 ASP 52 326 ALA 53 327 LEU 54 328 GLY 55 329 LYS 56 330 ILE 57 331 PRO 58 332 GLN 59 333 THR 60 334 VAL 61 335 LEU 62 336 TRP 63 337 ARG 64 338 TYR 65 339 THR 66 340 GLY 67 341 THR 68 342 ARG 69 343 PRO 70 344 SER 71 345 ASN 72 346 LEU 73 347 ALA 74 348 ASN 75 349 ASN 76 350 THR 77 351 ILE 78 352 LEU 79 353 VAL 80 354 LYS 81 355 TRP 82 356 LEU 83 357 PRO 84 358 GLN 85 359 ASN 86 360 ASP 87 361 LEU 88 362 LEU 89 363 GLY 90 364 HIS 91 365 PRO 92 366 MET 93 367 THR 94 368 ARG 95 369 ALA 96 370 PHE 97 371 ILE 98 372 THR 99 373 HIS 100 374 ALA 101 375 GLY 102 376 SER 103 377 HIS 104 378 GLY 105 379 VAL 106 380 TYR 107 381 GLU 108 382 SER 109 383 ILE 110 384 CYS 111 385 ASN 112 386 GLY 113 387 VAL 114 388 PRO 115 389 MET 116 390 VAL 117 391 MET 118 392 MET 119 393 PRO 120 394 LEU 121 395 PHE 122 396 GLY 123 397 ASP 124 398 GLN 125 399 MET 126 400 ASP 127 401 ASN 128 402 ALA 129 403 LYS 130 404 ARG 131 405 MET 132 406 GLU 133 407 THR 134 408 LYS 135 409 GLY 136 410 ALA 137 411 GLY 138 412 VAL 139 413 THR 140 414 LEU 141 415 ASN 142 416 VAL 143 417 LEU 144 418 GLU 145 419 MET 146 420 THR 147 421 SER 148 422 GLU 149 423 ASP 150 424 LEU 151 425 GLU 152 426 ASN 153 427 ALA 154 428 LEU 155 429 LYS 156 430 ALA 157 431 VAL 158 432 ILE 159 433 ASN 160 434 ASP 161 435 LYS 162 436 SER 163 437 TYR 164 438 LYS 165 439 GLU 166 440 ASN 167 441 ILE 168 442 MET 169 443 ARG 170 444 LEU 171 445 SER 172 446 SER 173 447 LEU 174 448 HIS 175 449 LYS 176 450 ASP 177 451 GLU 178 452 ASN 179 453 LEU 180 454 TYR 181 455 PHE 182 456 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI NP_009051 'UDP-glucuronosyltransferase 1-4 precursor' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C-terminus_of_UGT1A4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $C-terminus_of_UGT1A4 'recombinant technology' . Escherichia coli BL21(DE3) CodonPlus-RIPL pET-26b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-terminus_of_UGT1A4 250 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-terminus_of_UGT1A4 250 uM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details COLDPROBE save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50mM phosphate buffer; 300mM NaCl.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Ct of UGT1A4 monomer' _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 1 276 2 ASP C C 175.949 0.2 1 2 276 2 ASP CA C 54.688 0.2 1 3 276 2 ASP CB C 41.662 0.2 1 4 277 3 ILE H H 8.298 0.015 1 5 277 3 ILE C C 176.768 0.2 1 6 277 3 ILE CA C 61.751 0.2 1 7 277 3 ILE CB C 38.594 0.2 1 8 277 3 ILE N N 121.129 0.15 1 9 278 4 GLY H H 8.508 0.015 1 10 278 4 GLY C C 174.180 0.2 1 11 278 4 GLY CA C 45.775 0.2 1 12 278 4 GLY N N 112.294 0.15 1 13 279 5 ILE H H 7.963 0.015 1 14 279 5 ILE C C 176.123 0.2 1 15 279 5 ILE CA C 61.603 0.2 1 16 279 5 ILE CB C 38.596 0.2 1 17 279 5 ILE N N 119.646 0.15 1 18 280 6 ASN H H 8.551 0.015 1 19 280 6 ASN CA C 53.717 0.2 1 20 280 6 ASN CB C 39.183 0.2 1 21 280 6 ASN N N 122.216 0.15 1 22 281 7 SER H H 8.272 0.015 1 23 281 7 SER C C 173.802 0.2 1 24 281 7 SER CA C 58.558 0.2 1 25 281 7 SER CB C 63.960 0.2 1 26 281 7 SER N N 116.551 0.15 1 27 282 8 ASP H H 8.428 0.015 1 28 282 8 ASP C C 174.653 0.2 1 29 282 8 ASP CA C 52.801 0.2 1 30 282 8 ASP CB C 41.581 0.2 1 31 282 8 ASP N N 123.524 0.15 1 32 283 9 PRO C C 177.576 0.2 1 33 283 9 PRO CA C 64.102 0.2 1 34 283 9 PRO CB C 32.193 0.2 1 35 284 10 GLY H H 8.510 0.015 1 36 284 10 GLY C C 173.765 0.2 1 37 284 10 GLY CA C 45.473 0.2 1 38 284 10 GLY N N 108.620 0.15 1 39 285 11 LYS H H 8.156 0.015 1 40 285 11 LYS C C 174.436 0.2 1 41 285 11 LYS CA C 54.421 0.2 1 42 285 11 LYS CB C 32.627 0.2 1 43 285 11 LYS N N 122.304 0.15 1 44 286 12 PRO C C 177.305 0.2 1 45 286 12 PRO CA C 63.540 0.2 1 46 286 12 PRO CB C 32.234 0.2 1 47 287 13 LEU H H 8.463 0.015 1 48 287 13 LEU CA C 55.040 0.2 1 49 287 13 LEU CB C 43.144 0.2 1 50 287 13 LEU N N 121.812 0.15 1 51 288 14 SER H H 8.911 0.015 1 52 288 14 SER C C 175.322 0.2 1 53 288 14 SER CA C 58.528 0.2 1 54 288 14 SER CB C 64.744 0.2 1 55 288 14 SER N N 117.730 0.15 1 56 289 15 GLN H H 8.925 0.015 1 57 289 15 GLN C C 178.105 0.2 1 58 289 15 GLN CA C 59.422 0.2 1 59 289 15 GLN CB C 28.300 0.2 1 60 289 15 GLN N N 121.734 0.15 1 61 290 16 GLU H H 8.554 0.015 1 62 290 16 GLU C C 177.352 0.2 1 63 290 16 GLU CA C 59.146 0.2 1 64 290 16 GLU CB C 28.978 0.2 1 65 290 16 GLU N N 119.441 0.15 1 66 291 17 PHE H H 7.200 0.015 1 67 291 17 PHE C C 178.032 0.2 1 68 291 17 PHE CA C 62.331 0.2 1 69 291 17 PHE CB C 39.629 0.2 1 70 291 17 PHE N N 114.913 0.15 1 71 292 18 GLU H H 8.437 0.015 1 72 292 18 GLU C C 178.660 0.2 1 73 292 18 GLU CA C 60.081 0.2 1 74 292 18 GLU CB C 29.535 0.2 1 75 292 18 GLU N N 120.003 0.15 1 76 293 19 ALA H H 7.873 0.015 1 77 293 19 ALA C C 181.539 0.2 1 78 293 19 ALA CA C 55.577 0.2 1 79 293 19 ALA CB C 17.431 0.2 1 80 293 19 ALA N N 120.147 0.15 1 81 294 20 TYR H H 7.291 0.015 1 82 294 20 TYR C C 178.971 0.2 1 83 294 20 TYR CA C 59.233 0.2 1 84 294 20 TYR CB C 37.798 0.2 1 85 294 20 TYR N N 117.645 0.15 1 86 295 21 ILE H H 7.920 0.015 1 87 295 21 ILE C C 181.106 0.2 1 88 295 21 ILE CA C 65.771 0.2 1 89 295 21 ILE CB C 37.813 0.2 1 90 295 21 ILE N N 117.944 0.15 1 91 296 22 ASN H H 9.050 0.015 1 92 296 22 ASN C C 175.280 0.2 1 93 296 22 ASN CA C 56.919 0.2 1 94 296 22 ASN CB C 38.373 0.2 1 95 296 22 ASN N N 123.002 0.15 1 96 297 23 ALA H H 8.004 0.015 1 97 297 23 ALA C C 178.254 0.2 1 98 297 23 ALA CA C 54.284 0.2 1 99 297 23 ALA CB C 18.001 0.2 1 100 297 23 ALA N N 121.083 0.15 1 101 298 24 SER H H 7.711 0.015 1 102 298 24 SER C C 174.656 0.2 1 103 298 24 SER CA C 60.442 0.2 1 104 298 24 SER CB C 64.992 0.2 1 105 298 24 SER N N 115.689 0.15 1 106 299 25 GLY H H 7.535 0.015 1 107 299 25 GLY C C 174.938 0.2 1 108 299 25 GLY CA C 47.011 0.2 1 109 299 25 GLY N N 109.121 0.15 1 110 300 26 GLU H H 9.004 0.015 1 111 300 26 GLU C C 177.219 0.2 1 112 300 26 GLU CA C 57.028 0.2 1 113 300 26 GLU CB C 29.377 0.2 1 114 300 26 GLU N N 122.390 0.15 1 115 301 27 HIS H H 7.979 0.015 1 116 301 27 HIS C C 178.781 0.2 1 117 301 27 HIS CA C 58.515 0.2 1 118 301 27 HIS CB C 31.219 0.2 1 119 301 27 HIS N N 118.400 0.15 1 120 302 28 GLY H H 7.043 0.015 1 121 302 28 GLY C C 173.296 0.2 1 122 302 28 GLY CA C 46.205 0.2 1 123 302 28 GLY N N 105.693 0.15 1 124 303 29 ILE H H 8.171 0.015 1 125 303 29 ILE C C 175.763 0.2 1 126 303 29 ILE CA C 58.885 0.2 1 127 303 29 ILE CB C 43.127 0.2 1 128 303 29 ILE N N 108.120 0.15 1 129 304 30 VAL H H 8.861 0.015 1 130 304 30 VAL C C 174.270 0.2 1 131 304 30 VAL CA C 60.910 0.2 1 132 304 30 VAL CB C 35.613 0.2 1 133 304 30 VAL N N 121.221 0.15 1 134 305 31 VAL H H 7.995 0.015 1 135 305 31 VAL C C 173.296 0.2 1 136 305 31 VAL CA C 62.352 0.2 1 137 305 31 VAL CB C 33.500 0.2 1 138 305 31 VAL N N 125.749 0.15 1 139 306 32 PHE H H 9.382 0.015 1 140 306 32 PHE N N 130.338 0.15 1 141 318 44 LYS H H 9.089 0.015 1 142 318 44 LYS N N 116.492 0.15 1 143 319 45 LYS H H 7.357 0.015 1 144 319 45 LYS CA C 57.208 0.2 1 145 319 45 LYS N N 119.146 0.15 1 146 320 46 ALA H H 8.580 0.015 1 147 320 46 ALA C C 179.542 0.2 1 148 320 46 ALA CA C 56.498 0.2 1 149 320 46 ALA CB C 17.390 0.2 1 150 320 46 ALA N N 123.130 0.15 1 151 321 47 MET H H 8.207 0.015 1 152 321 47 MET C C 179.135 0.2 1 153 321 47 MET CA C 59.270 0.2 1 154 321 47 MET CB C 33.246 0.2 1 155 321 47 MET N N 114.711 0.15 1 156 322 48 ALA H H 7.566 0.015 1 157 322 48 ALA C C 179.770 0.2 1 158 322 48 ALA CA C 55.524 0.2 1 159 322 48 ALA CB C 17.902 0.2 1 160 322 48 ALA N N 124.559 0.15 1 161 323 49 ILE H H 8.067 0.015 1 162 323 49 ILE C C 176.902 0.2 1 163 323 49 ILE CA C 65.281 0.2 1 164 323 49 ILE CB C 37.707 0.2 1 165 323 49 ILE N N 117.430 0.15 1 166 324 50 ALA H H 8.441 0.015 1 167 324 50 ALA C C 180.558 0.2 1 168 324 50 ALA CA C 55.530 0.2 1 169 324 50 ALA CB C 18.176 0.2 1 170 324 50 ALA N N 119.844 0.15 1 171 325 51 ASP H H 7.999 0.015 1 172 325 51 ASP C C 177.797 0.2 1 173 325 51 ASP CA C 57.505 0.2 1 174 325 51 ASP CB C 42.512 0.2 1 175 325 51 ASP N N 117.068 0.15 1 176 326 52 ALA H H 7.448 0.015 1 177 326 52 ALA C C 180.110 0.2 1 178 326 52 ALA CA C 55.692 0.2 1 179 326 52 ALA CB C 19.466 0.2 1 180 326 52 ALA N N 121.495 0.15 1 181 327 53 LEU H H 8.145 0.015 1 182 327 53 LEU C C 178.517 0.2 1 183 327 53 LEU CA C 57.541 0.2 1 184 327 53 LEU CB C 41.149 0.2 1 185 327 53 LEU N N 112.989 0.15 1 186 328 54 GLY H H 7.249 0.015 1 187 328 54 GLY C C 175.315 0.2 1 188 328 54 GLY CA C 46.294 0.2 1 189 328 54 GLY N N 106.186 0.15 1 190 329 55 LYS H H 7.508 0.015 1 191 329 55 LYS C C 176.046 0.2 1 192 329 55 LYS CA C 56.286 0.2 1 193 329 55 LYS CB C 32.367 0.2 1 194 329 55 LYS N N 117.956 0.15 1 195 330 56 ILE H H 7.001 0.015 1 196 330 56 ILE C C 174.425 0.2 1 197 330 56 ILE CA C 58.372 0.2 1 198 330 56 ILE CB C 37.619 0.2 1 199 330 56 ILE N N 111.629 0.15 1 200 331 57 PRO C C 177.154 0.2 1 201 331 57 PRO CA C 63.423 0.2 1 202 331 57 PRO CB C 30.550 0.2 1 203 332 58 GLN H H 6.753 0.015 1 204 332 58 GLN C C 174.373 0.2 1 205 332 58 GLN CA C 58.294 0.2 1 206 332 58 GLN CB C 28.897 0.2 1 207 332 58 GLN N N 117.906 0.15 1 208 333 59 THR H H 7.929 0.015 1 209 333 59 THR C C 173.475 0.2 1 210 333 59 THR CA C 63.386 0.2 1 211 333 59 THR CB C 70.816 0.2 1 212 333 59 THR N N 116.116 0.15 1 213 334 60 VAL H H 9.241 0.015 1 214 334 60 VAL C C 174.005 0.2 1 215 334 60 VAL CA C 61.348 0.2 1 216 334 60 VAL CB C 32.711 0.2 1 217 334 60 VAL N N 128.392 0.15 1 218 335 61 LEU H H 8.770 0.015 1 219 335 61 LEU CA C 53.562 0.2 1 220 335 61 LEU CB C 42.010 0.2 1 221 335 61 LEU N N 127.096 0.15 1 222 336 62 TRP H H 9.302 0.015 1 223 336 62 TRP C C 174.474 0.2 1 224 336 62 TRP CA C 52.966 0.2 1 225 336 62 TRP CB C 31.757 0.2 1 226 336 62 TRP N N 127.003 0.15 1 227 337 63 ARG H H 8.751 0.015 1 228 337 63 ARG C C 173.076 0.2 1 229 337 63 ARG CA C 55.507 0.2 1 230 337 63 ARG CB C 28.654 0.2 1 231 337 63 ARG N N 127.308 0.15 1 232 338 64 TYR H H 8.265 0.015 1 233 338 64 TYR C C 174.787 0.2 1 234 338 64 TYR CA C 58.300 0.2 1 235 338 64 TYR CB C 40.512 0.2 1 236 338 64 TYR N N 131.735 0.15 1 237 339 65 THR H H 8.096 0.015 1 238 339 65 THR CA C 61.060 0.2 1 239 339 65 THR CB C 69.510 0.2 1 240 339 65 THR N N 116.027 0.15 1 241 340 66 GLY C C 172.105 0.2 1 242 340 66 GLY CA C 44.654 0.2 1 243 341 67 THR H H 8.523 0.015 1 244 341 67 THR C C 175.191 0.2 1 245 341 67 THR CA C 63.908 0.2 1 246 341 67 THR CB C 69.121 0.2 1 247 341 67 THR N N 115.833 0.15 1 248 342 68 ARG H H 8.846 0.015 1 249 342 68 ARG C C 174.137 0.2 1 250 342 68 ARG CA C 55.093 0.2 1 251 342 68 ARG CB C 30.396 0.2 1 252 342 68 ARG N N 129.846 0.15 1 253 343 69 PRO C C 178.393 0.2 1 254 343 69 PRO CA C 63.161 0.2 1 255 343 69 PRO CB C 31.809 0.2 1 256 344 70 SER H H 9.279 0.015 1 257 344 70 SER CA C 60.968 0.2 1 258 344 70 SER CB C 62.878 0.2 1 259 344 70 SER N N 119.837 0.15 1 260 345 71 ASN H H 8.895 0.015 1 261 345 71 ASN C C 174.396 0.2 1 262 345 71 ASN CA C 52.576 0.2 1 263 345 71 ASN CB C 36.923 0.2 1 264 345 71 ASN N N 118.498 0.15 1 265 346 72 LEU H H 6.899 0.015 1 266 346 72 LEU C C 176.950 0.2 1 267 346 72 LEU CA C 56.962 0.2 1 268 346 72 LEU CB C 42.635 0.2 1 269 346 72 LEU N N 119.970 0.15 1 270 347 73 ALA H H 9.678 0.015 1 271 347 73 ALA C C 179.045 0.2 1 272 347 73 ALA CA C 51.965 0.2 1 273 347 73 ALA CB C 21.307 0.2 1 274 347 73 ALA N N 132.802 0.15 1 275 348 74 ASN H H 8.703 0.015 1 276 348 74 ASN C C 175.081 0.2 1 277 348 74 ASN CA C 55.558 0.2 1 278 348 74 ASN CB C 38.389 0.2 1 279 348 74 ASN N N 116.097 0.15 1 280 349 75 ASN H H 8.230 0.015 1 281 349 75 ASN C C 174.026 0.2 1 282 349 75 ASN CA C 54.063 0.2 1 283 349 75 ASN CB C 38.322 0.2 1 284 349 75 ASN N N 116.707 0.15 1 285 350 76 THR H H 7.831 0.015 1 286 350 76 THR C C 171.525 0.2 1 287 350 76 THR CA C 63.154 0.2 1 288 350 76 THR CB C 69.530 0.2 1 289 350 76 THR N N 117.366 0.15 1 290 351 77 ILE H H 9.349 0.015 1 291 351 77 ILE C C 174.869 0.2 1 292 351 77 ILE CA C 59.762 0.2 1 293 351 77 ILE CB C 38.810 0.2 1 294 351 77 ILE N N 128.698 0.15 1 295 352 78 LEU H H 8.380 0.015 1 296 352 78 LEU C C 177.626 0.2 1 297 352 78 LEU CA C 54.203 0.2 1 298 352 78 LEU CB C 40.996 0.2 1 299 352 78 LEU N N 126.547 0.15 1 300 353 79 VAL H H 8.717 0.015 1 301 353 79 VAL C C 175.035 0.2 1 302 353 79 VAL CA C 58.779 0.2 1 303 353 79 VAL CB C 35.212 0.2 1 304 353 79 VAL N N 116.956 0.15 1 305 354 80 LYS H H 8.887 0.015 1 306 354 80 LYS C C 176.368 0.2 1 307 354 80 LYS CA C 57.595 0.2 1 308 354 80 LYS CB C 32.712 0.2 1 309 354 80 LYS N N 118.811 0.15 1 310 355 81 TRP H H 7.688 0.015 1 311 355 81 TRP C C 173.280 0.2 1 312 355 81 TRP CA C 57.649 0.2 1 313 355 81 TRP CB C 31.394 0.2 1 314 355 81 TRP N N 117.265 0.15 1 315 356 82 LEU H H 7.243 0.015 1 316 356 82 LEU C C 173.302 0.2 1 317 356 82 LEU CA C 52.692 0.2 1 318 356 82 LEU CB C 43.156 0.2 1 319 356 82 LEU N N 119.717 0.15 1 320 357 83 PRO C C 174.768 0.2 1 321 357 83 PRO CA C 61.468 0.2 1 322 357 83 PRO CB C 28.135 0.2 1 323 358 84 GLN H H 7.524 0.015 1 324 358 84 GLN C C 175.969 0.2 1 325 358 84 GLN CA C 62.018 0.2 1 326 358 84 GLN CB C 31.057 0.2 1 327 358 84 GLN N N 125.044 0.15 1 328 359 85 ASN H H 8.682 0.015 1 329 359 85 ASN C C 177.849 0.2 1 330 359 85 ASN CA C 57.633 0.2 1 331 359 85 ASN CB C 38.379 0.2 1 332 359 85 ASN N N 116.947 0.15 1 333 360 86 ASP H H 7.864 0.015 1 334 360 86 ASP C C 179.072 0.2 1 335 360 86 ASP CA C 57.537 0.2 1 336 360 86 ASP CB C 41.066 0.2 1 337 360 86 ASP N N 117.951 0.15 1 338 361 87 LEU H H 8.001 0.015 1 339 361 87 LEU C C 180.311 0.2 1 340 361 87 LEU CA C 57.660 0.2 1 341 361 87 LEU CB C 41.923 0.2 1 342 361 87 LEU N N 117.678 0.15 1 343 362 88 LEU H H 8.516 0.015 1 344 362 88 LEU C C 176.400 0.2 1 345 362 88 LEU CA C 58.181 0.2 1 346 362 88 LEU CB C 41.122 0.2 1 347 362 88 LEU N N 120.571 0.15 1 348 363 89 GLY H H 7.157 0.015 1 349 363 89 GLY C C 173.695 0.2 1 350 363 89 GLY CA C 45.686 0.2 1 351 363 89 GLY N N 104.195 0.15 1 352 364 90 HIS H H 7.669 0.015 1 353 364 90 HIS C C 176.165 0.2 1 354 364 90 HIS CA C 57.043 0.2 1 355 364 90 HIS CB C 32.105 0.2 1 356 364 90 HIS N N 125.327 0.15 1 357 365 91 PRO C C 178.460 0.2 1 358 365 91 PRO CA C 65.222 0.2 1 359 365 91 PRO CB C 32.286 0.2 1 360 366 92 MET H H 10.958 0.015 1 361 366 92 MET C C 176.668 0.2 1 362 366 92 MET CA C 54.052 0.2 1 363 366 92 MET CB C 29.989 0.2 1 364 366 92 MET N N 118.127 0.15 1 365 367 93 THR H H 8.185 0.015 1 366 367 93 THR CA C 64.639 0.2 1 367 367 93 THR CB C 66.903 0.2 1 368 367 93 THR N N 120.685 0.15 1 369 368 94 ARG H H 9.890 0.015 1 370 368 94 ARG C C 175.938 0.2 1 371 368 94 ARG CA C 55.183 0.2 1 372 368 94 ARG CB C 31.535 0.2 1 373 368 94 ARG N N 125.039 0.15 1 374 369 95 ALA H H 7.212 0.015 1 375 369 95 ALA C C 173.664 0.2 1 376 369 95 ALA CA C 51.793 0.2 1 377 369 95 ALA CB C 21.562 0.2 1 378 369 95 ALA N N 111.888 0.15 1 379 370 96 PHE H H 8.026 0.015 1 380 370 96 PHE C C 173.725 0.2 1 381 370 96 PHE CA C 52.620 0.2 1 382 370 96 PHE N N 121.882 0.15 1 383 371 97 ILE H H 9.393 0.015 1 384 371 97 ILE C C 172.941 0.2 1 385 371 97 ILE CA C 60.446 0.2 1 386 371 97 ILE N N 128.197 0.15 1 387 372 98 THR H H 7.920 0.015 1 388 372 98 THR CA C 58.550 0.2 1 389 372 98 THR N N 118.755 0.15 1 390 374 100 ALA C C 176.969 0.2 1 391 374 100 ALA CA C 53.061 0.2 1 392 374 100 ALA CB C 15.780 0.2 1 393 375 101 GLY H H 8.295 0.015 1 394 375 101 GLY C C 174.768 0.2 1 395 375 101 GLY CA C 46.227 0.2 1 396 375 101 GLY N N 104.015 0.15 1 397 376 102 SER H H 8.912 0.015 1 398 376 102 SER C C 175.295 0.2 1 399 376 102 SER CA C 58.590 0.2 1 400 376 102 SER CB C 64.635 0.2 1 401 376 102 SER N N 117.703 0.15 1 402 377 103 HIS C C 177.444 0.2 1 403 377 103 HIS CA C 60.478 0.2 1 404 377 103 HIS CB C 29.885 0.2 1 405 378 104 GLY H H 8.230 0.015 1 406 378 104 GLY C C 175.819 0.2 1 407 378 104 GLY CA C 47.643 0.2 1 408 378 104 GLY N N 108.439 0.15 1 409 379 105 VAL H H 8.065 0.015 1 410 379 105 VAL C C 177.387 0.2 1 411 379 105 VAL CA C 66.881 0.2 1 412 379 105 VAL CB C 31.229 0.2 1 413 379 105 VAL N N 120.227 0.15 1 414 380 106 TYR H H 8.028 0.015 1 415 380 106 TYR C C 178.050 0.2 1 416 380 106 TYR CA C 62.283 0.2 1 417 380 106 TYR CB C 37.824 0.2 1 418 380 106 TYR N N 118.822 0.15 1 419 381 107 GLU H H 8.178 0.015 1 420 381 107 GLU C C 179.896 0.2 1 421 381 107 GLU CA C 60.199 0.2 1 422 381 107 GLU CB C 29.499 0.2 1 423 381 107 GLU N N 118.709 0.15 1 424 382 108 SER H H 8.426 0.015 1 425 382 108 SER C C 178.785 0.2 1 426 382 108 SER CA C 65.107 0.2 1 427 382 108 SER CB C 64.920 0.2 1 428 382 108 SER N N 119.176 0.15 1 429 383 109 ILE H H 8.562 0.015 1 430 383 109 ILE C C 179.481 0.2 1 431 383 109 ILE CA C 65.775 0.2 1 432 383 109 ILE CB C 37.930 0.2 1 433 383 109 ILE N N 119.072 0.15 1 434 384 110 CYS H H 8.454 0.015 1 435 384 110 CYS C C 176.472 0.2 1 436 384 110 CYS CA C 63.914 0.2 1 437 384 110 CYS CB C 26.906 0.2 1 438 384 110 CYS N N 116.962 0.15 1 439 385 111 ASN H H 7.298 0.015 1 440 385 111 ASN C C 174.058 0.2 1 441 385 111 ASN CA C 54.631 0.2 1 442 385 111 ASN CB C 41.276 0.2 1 443 385 111 ASN N N 112.489 0.15 1 444 386 112 GLY H H 7.966 0.015 1 445 386 112 GLY C C 173.181 0.2 1 446 386 112 GLY CA C 48.096 0.2 1 447 386 112 GLY N N 111.689 0.15 1 448 387 113 VAL H H 8.175 0.015 1 449 387 113 VAL C C 173.013 0.2 1 450 387 113 VAL CA C 59.565 0.2 1 451 387 113 VAL CB C 33.817 0.2 1 452 387 113 VAL N N 121.790 0.15 1 453 388 114 PRO C C 175.393 0.2 1 454 388 114 PRO CA C 63.317 0.2 1 455 388 114 PRO CB C 33.680 0.2 1 456 389 115 MET H H 7.348 0.015 1 457 389 115 MET C C 176.070 0.2 1 458 389 115 MET CA C 55.231 0.2 1 459 389 115 MET CB C 38.704 0.2 1 460 389 115 MET N N 113.714 0.15 1 461 390 116 VAL H H 8.434 0.015 1 462 390 116 VAL C C 174.239 0.2 1 463 390 116 VAL CA C 62.632 0.2 1 464 390 116 VAL CB C 32.298 0.2 1 465 390 116 VAL N N 120.605 0.15 1 466 391 117 MET H H 9.120 0.015 1 467 391 117 MET C C 174.030 0.2 1 468 391 117 MET CA C 54.983 0.2 1 469 391 117 MET CB C 34.649 0.2 1 470 391 117 MET N N 125.110 0.15 1 471 392 118 MET H H 9.168 0.015 1 472 392 118 MET C C 171.320 0.2 1 473 392 118 MET CA C 53.061 0.2 1 474 392 118 MET CB C 33.795 0.2 1 475 392 118 MET N N 122.050 0.15 1 476 393 119 PRO C C 177.265 0.2 1 477 393 119 PRO CA C 63.399 0.2 1 478 393 119 PRO CB C 32.751 0.2 1 479 394 120 LEU H H 8.807 0.015 1 480 394 120 LEU C C 177.123 0.2 1 481 394 120 LEU CA C 56.294 0.2 1 482 394 120 LEU CB C 44.586 0.2 1 483 394 120 LEU N N 120.252 0.15 1 484 395 121 PHE H H 7.760 0.015 1 485 395 121 PHE C C 176.275 0.2 1 486 395 121 PHE CA C 56.846 0.2 1 487 395 121 PHE CB C 42.112 0.2 1 488 395 121 PHE N N 116.616 0.15 1 489 396 122 GLY H H 8.945 0.015 1 490 396 122 GLY CA C 48.090 0.2 1 491 396 122 GLY N N 109.078 0.15 1 492 397 123 ASP H H 8.945 0.015 1 493 397 123 ASP CA C 56.520 0.2 1 494 397 123 ASP CB C 39.752 0.2 1 495 397 123 ASP N N 123.208 0.15 1 496 398 124 GLN H H 7.565 0.015 1 497 398 124 GLN C C 178.528 0.2 1 498 398 124 GLN CA C 58.577 0.2 1 499 398 124 GLN CB C 27.220 0.2 1 500 398 124 GLN N N 119.312 0.15 1 501 399 125 MET H H 8.013 0.015 1 502 399 125 MET CA C 59.360 0.2 1 503 399 125 MET CB C 30.900 0.2 1 504 399 125 MET N N 117.850 0.15 1 505 400 126 ASP H H 7.900 0.015 1 506 400 126 ASP C C 178.908 0.2 1 507 400 126 ASP CA C 57.607 0.2 1 508 400 126 ASP CB C 40.576 0.2 1 509 400 126 ASP N N 120.407 0.15 1 510 401 127 ASN H H 8.234 0.015 1 511 401 127 ASN C C 177.425 0.2 1 512 401 127 ASN CA C 56.027 0.2 1 513 401 127 ASN CB C 38.069 0.2 1 514 401 127 ASN N N 119.485 0.15 1 515 402 128 ALA H H 8.617 0.015 1 516 402 128 ALA C C 179.295 0.2 1 517 402 128 ALA CA C 54.742 0.2 1 518 402 128 ALA CB C 18.286 0.2 1 519 402 128 ALA N N 121.997 0.15 1 520 403 129 LYS H H 8.016 0.015 1 521 403 129 LYS C C 180.160 0.2 1 522 403 129 LYS CA C 59.136 0.2 1 523 403 129 LYS CB C 31.610 0.2 1 524 403 129 LYS N N 117.969 0.15 1 525 404 130 ARG H H 7.938 0.015 1 526 404 130 ARG C C 179.203 0.2 1 527 404 130 ARG CA C 60.049 0.2 1 528 404 130 ARG CB C 30.144 0.2 1 529 404 130 ARG N N 120.085 0.15 1 530 405 131 MET H H 8.179 0.015 1 531 405 131 MET CA C 56.668 0.2 1 532 405 131 MET CB C 33.836 0.2 1 533 405 131 MET N N 116.289 0.15 1 534 406 132 GLU H H 9.023 0.015 1 535 406 132 GLU C C 181.590 0.2 1 536 406 132 GLU CA C 60.107 0.2 1 537 406 132 GLU CB C 29.685 0.2 1 538 406 132 GLU N N 122.537 0.15 1 539 407 133 THR H H 8.433 0.015 1 540 407 133 THR C C 176.204 0.2 1 541 407 133 THR CA C 66.785 0.2 1 542 407 133 THR CB C 69.167 0.2 1 543 407 133 THR N N 117.668 0.15 1 544 408 134 LYS H H 7.433 0.015 1 545 408 134 LYS C C 176.082 0.2 1 546 408 134 LYS CA C 56.184 0.2 1 547 408 134 LYS CB C 32.796 0.2 1 548 408 134 LYS N N 118.044 0.15 1 549 409 135 GLY H H 7.904 0.015 1 550 409 135 GLY C C 174.011 0.2 1 551 409 135 GLY CA C 46.176 0.2 1 552 409 135 GLY N N 107.137 0.15 1 553 410 136 ALA H H 7.975 0.015 1 554 410 136 ALA C C 175.170 0.2 1 555 410 136 ALA CA C 52.450 0.2 1 556 410 136 ALA CB C 20.900 0.2 1 557 410 136 ALA N N 118.016 0.15 1 558 411 137 GLY H H 7.247 0.015 1 559 411 137 GLY C C 170.903 0.2 1 560 411 137 GLY CA C 46.519 0.2 1 561 411 137 GLY N N 105.394 0.15 1 562 412 138 VAL H H 7.784 0.015 1 563 412 138 VAL C C 173.997 0.2 1 564 412 138 VAL CA C 60.680 0.2 1 565 412 138 VAL CB C 35.727 0.2 1 566 412 138 VAL N N 116.378 0.15 1 567 413 139 THR H H 8.460 0.015 1 568 413 139 THR C C 174.076 0.2 1 569 413 139 THR CA C 62.646 0.2 1 570 413 139 THR CB C 69.481 0.2 1 571 413 139 THR N N 123.020 0.15 1 572 414 140 LEU H H 9.193 0.015 1 573 414 140 LEU C C 175.080 0.2 1 574 414 140 LEU CA C 53.378 0.2 1 575 414 140 LEU CB C 45.500 0.2 1 576 414 140 LEU N N 126.408 0.15 1 577 415 141 ASN H H 8.700 0.015 1 578 415 141 ASN C C 176.022 0.2 1 579 415 141 ASN CA C 51.467 0.2 1 580 415 141 ASN CB C 38.301 0.2 1 581 415 141 ASN N N 119.635 0.15 1 582 416 142 VAL H H 9.087 0.015 1 583 416 142 VAL C C 175.942 0.2 1 584 416 142 VAL CA C 65.413 0.2 1 585 416 142 VAL CB C 31.838 0.2 1 586 416 142 VAL N N 125.166 0.15 1 587 417 143 LEU H H 7.824 0.015 1 588 417 143 LEU C C 178.666 0.2 1 589 417 143 LEU CA C 57.387 0.2 1 590 417 143 LEU CB C 41.206 0.2 1 591 417 143 LEU N N 117.289 0.15 1 592 418 144 GLU H H 7.252 0.015 1 593 418 144 GLU C C 176.874 0.2 1 594 418 144 GLU CA C 56.059 0.2 1 595 418 144 GLU CB C 31.833 0.2 1 596 418 144 GLU N N 115.804 0.15 1 597 419 145 MET H H 7.887 0.015 1 598 419 145 MET C C 175.262 0.2 1 599 419 145 MET CA C 57.102 0.2 1 600 419 145 MET CB C 33.568 0.2 1 601 419 145 MET N N 119.243 0.15 1 602 420 146 THR H H 8.950 0.015 1 603 420 146 THR C C 175.654 0.2 1 604 420 146 THR CA C 59.722 0.2 1 605 420 146 THR CB C 72.681 0.2 1 606 420 146 THR N N 114.183 0.15 1 607 421 147 SER H H 9.078 0.015 1 608 421 147 SER CA C 61.140 0.2 1 609 421 147 SER CB C 63.080 0.2 1 610 421 147 SER N N 114.342 0.15 1 611 422 148 GLU H H 8.545 0.015 1 612 422 148 GLU C C 178.027 0.2 1 613 422 148 GLU CA C 60.293 0.2 1 614 422 148 GLU CB C 29.300 0.2 1 615 422 148 GLU N N 118.939 0.15 1 616 423 149 ASP H H 7.695 0.015 1 617 423 149 ASP C C 179.443 0.2 1 618 423 149 ASP CA C 57.785 0.2 1 619 423 149 ASP CB C 41.559 0.2 1 620 423 149 ASP N N 117.694 0.15 1 621 424 150 LEU H H 7.416 0.015 1 622 424 150 LEU C C 176.819 0.2 1 623 424 150 LEU CA C 57.880 0.2 1 624 424 150 LEU CB C 39.660 0.2 1 625 424 150 LEU N N 120.276 0.15 1 626 425 151 GLU H H 8.874 0.015 1 627 425 151 GLU C C 177.773 0.2 1 628 425 151 GLU CA C 60.169 0.2 1 629 425 151 GLU CB C 29.814 0.2 1 630 425 151 GLU N N 121.470 0.15 1 631 426 152 ASN H H 8.584 0.015 1 632 426 152 ASN C C 178.295 0.2 1 633 426 152 ASN CA C 56.238 0.2 1 634 426 152 ASN CB C 37.979 0.2 1 635 426 152 ASN N N 114.908 0.15 1 636 427 153 ALA H H 7.759 0.015 1 637 427 153 ALA C C 178.242 0.2 1 638 427 153 ALA CA C 55.509 0.2 1 639 427 153 ALA CB C 19.379 0.2 1 640 427 153 ALA N N 123.615 0.15 1 641 428 154 LEU H H 8.191 0.015 1 642 428 154 LEU C C 177.952 0.2 1 643 428 154 LEU CA C 57.740 0.2 1 644 428 154 LEU CB C 42.000 0.2 1 645 428 154 LEU N N 116.392 0.15 1 646 429 155 LYS H H 8.191 0.015 1 647 429 155 LYS C C 179.410 0.2 1 648 429 155 LYS CA C 60.795 0.2 1 649 429 155 LYS CB C 32.090 0.2 1 650 429 155 LYS N N 115.476 0.15 1 651 430 156 ALA H H 7.738 0.015 1 652 430 156 ALA C C 178.247 0.2 1 653 430 156 ALA CA C 55.887 0.2 1 654 430 156 ALA CB C 17.789 0.2 1 655 430 156 ALA N N 121.168 0.15 1 656 431 157 VAL H H 7.617 0.015 1 657 431 157 VAL C C 177.109 0.2 1 658 431 157 VAL CA C 65.104 0.2 1 659 431 157 VAL CB C 31.012 0.2 1 660 431 157 VAL N N 109.701 0.15 1 661 432 158 ILE H H 7.857 0.015 1 662 432 158 ILE C C 177.551 0.2 1 663 432 158 ILE CA C 64.875 0.2 1 664 432 158 ILE CB C 38.607 0.2 1 665 432 158 ILE N N 116.333 0.15 1 666 433 159 ASN H H 7.817 0.015 1 667 433 159 ASN C C 175.438 0.2 1 668 433 159 ASN CA C 55.496 0.2 1 669 433 159 ASN CB C 40.176 0.2 1 670 433 159 ASN N N 113.874 0.15 1 671 434 160 ASP H H 8.586 0.015 1 672 434 160 ASP C C 177.775 0.2 1 673 434 160 ASP CA C 54.007 0.2 1 674 434 160 ASP CB C 40.684 0.2 1 675 434 160 ASP N N 121.822 0.15 1 676 435 161 LYS H H 8.890 0.015 1 677 435 161 LYS C C 176.433 0.2 1 678 435 161 LYS CA C 58.851 0.2 1 679 435 161 LYS CB C 32.254 0.2 1 680 435 161 LYS N N 126.554 0.15 1 681 436 162 SER H H 8.662 0.015 1 682 436 162 SER C C 176.317 0.2 1 683 436 162 SER CA C 62.257 0.2 1 684 436 162 SER CB C 62.230 0.2 1 685 436 162 SER N N 115.497 0.15 1 686 437 163 TYR H H 7.060 0.015 1 687 437 163 TYR C C 177.901 0.2 1 688 437 163 TYR CA C 62.206 0.2 1 689 437 163 TYR CB C 37.719 0.2 1 690 437 163 TYR N N 119.798 0.15 1 691 438 164 LYS H H 8.106 0.015 1 692 438 164 LYS C C 178.165 0.2 1 693 438 164 LYS CA C 59.043 0.2 1 694 438 164 LYS CB C 32.459 0.2 1 695 438 164 LYS N N 120.403 0.15 1 696 439 165 GLU H H 8.273 0.015 1 697 439 165 GLU C C 179.993 0.2 1 698 439 165 GLU CA C 60.077 0.2 1 699 439 165 GLU CB C 29.323 0.2 1 700 439 165 GLU N N 117.510 0.15 1 701 440 166 ASN H H 8.732 0.015 1 702 440 166 ASN C C 179.291 0.2 1 703 440 166 ASN CA C 56.391 0.2 1 704 440 166 ASN CB C 37.793 0.2 1 705 440 166 ASN N N 117.700 0.15 1 706 441 167 ILE H H 8.650 0.015 1 707 441 167 ILE C C 177.554 0.2 1 708 441 167 ILE CA C 64.980 0.2 1 709 441 167 ILE CB C 37.800 0.2 1 710 441 167 ILE N N 121.465 0.15 1 711 442 168 MET H H 8.407 0.015 1 712 442 168 MET C C 179.761 0.2 1 713 442 168 MET CA C 58.385 0.2 1 714 442 168 MET CB C 31.147 0.2 1 715 442 168 MET N N 122.678 0.15 1 716 443 169 ARG H H 7.775 0.015 1 717 443 169 ARG C C 178.966 0.2 1 718 443 169 ARG CA C 59.518 0.2 1 719 443 169 ARG CB C 29.969 0.2 1 720 443 169 ARG N N 120.111 0.15 1 721 444 170 LEU H H 7.611 0.015 1 722 444 170 LEU C C 178.784 0.2 1 723 444 170 LEU CA C 57.526 0.2 1 724 444 170 LEU CB C 41.295 0.2 1 725 444 170 LEU N N 118.514 0.15 1 726 445 171 SER H H 8.299 0.015 1 727 445 171 SER CA C 61.172 0.2 1 728 445 171 SER CB C 64.129 0.2 1 729 445 171 SER N N 114.316 0.15 1 730 446 172 SER H H 7.910 0.015 1 731 446 172 SER CA C 60.602 0.2 1 732 446 172 SER CB C 63.715 0.2 1 733 446 172 SER N N 114.736 0.15 1 734 447 173 LEU H H 7.740 0.015 1 735 447 173 LEU C C 177.910 0.2 1 736 447 173 LEU CA C 56.783 0.2 1 737 447 173 LEU CB C 42.236 0.2 1 738 447 173 LEU N N 121.622 0.15 1 739 448 174 HIS H H 8.029 0.015 1 740 448 174 HIS C C 175.959 0.2 1 741 448 174 HIS CA C 57.243 0.2 1 742 448 174 HIS CB C 30.742 0.2 1 743 448 174 HIS N N 117.800 0.15 1 744 449 175 LYS H H 8.050 0.015 1 745 449 175 LYS C C 176.702 0.2 1 746 449 175 LYS CA C 57.607 0.2 1 747 449 175 LYS CB C 32.621 0.2 1 748 449 175 LYS N N 121.078 0.15 1 749 450 176 ASP H H 8.254 0.015 1 750 450 176 ASP C C 176.516 0.2 1 751 450 176 ASP CA C 55.359 0.2 1 752 450 176 ASP CB C 41.427 0.2 1 753 450 176 ASP N N 119.961 0.15 1 754 451 177 GLU H H 8.311 0.015 1 755 451 177 GLU C C 176.427 0.2 1 756 451 177 GLU CA C 57.649 0.2 1 757 451 177 GLU CB C 29.866 0.2 1 758 451 177 GLU N N 120.322 0.15 1 759 452 178 ASN H H 8.326 0.015 1 760 452 178 ASN C C 175.286 0.2 1 761 452 178 ASN CA C 54.176 0.2 1 762 452 178 ASN CB C 39.070 0.2 1 763 452 178 ASN N N 117.546 0.15 1 764 453 179 LEU H H 7.952 0.015 1 765 453 179 LEU C C 176.844 0.2 1 766 453 179 LEU CA C 55.781 0.2 1 767 453 179 LEU CB C 41.771 0.2 1 768 453 179 LEU N N 120.753 0.15 1 769 454 180 TYR H H 7.895 0.015 1 770 454 180 TYR C C 175.257 0.2 1 771 454 180 TYR CA C 58.560 0.2 1 772 454 180 TYR CB C 38.795 0.2 1 773 454 180 TYR N N 119.054 0.15 1 774 455 181 PHE H H 7.901 0.015 1 775 455 181 PHE C C 174.486 0.2 1 776 455 181 PHE CA C 57.849 0.2 1 777 455 181 PHE CB C 39.520 0.2 1 778 455 181 PHE N N 120.250 0.15 1 779 456 182 GLN H H 7.717 0.015 1 780 456 182 GLN C C 180.376 0.2 1 781 456 182 GLN CA C 57.813 0.2 1 782 456 182 GLN CB C 30.568 0.2 1 783 456 182 GLN N N 125.543 0.15 1 stop_ save_