data_27932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Folded ZnF in FUS (371-526) ; _BMRB_accession_number 27932 _BMRB_flat_file_name bmr27932.str _Entry_type original _Submission_date 2019-05-29 _Accession_date 2019-05-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Folded ZnF in FUS (371-526)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jianxing . . 2 Lim 'Liang Zhong' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 264 "13C chemical shifts" 221 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-28 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27931 'FUS (371-526) (Unfolded)' stop_ _Original_release_date 2019-05-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A unified mechanism for LLPS of ALS/FTLD-causing FUS as well as its modulation by ATP and oligonucleic acids ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31188823 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Jian . . 2 Lim Liangzhong . . 3 Lu Yimei . . 4 Song Jianxing . . stop_ _Journal_abbreviation 'PLoS Biol.' _Journal_name_full 'PLoS biology' _Journal_volume 17 _Journal_issue 6 _Journal_ISSN 1545-7885 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e3000327 _Page_last e3000327 _Year 2019 _Details . loop_ _Keyword 'C-terminal domain' FUS ZnF 'prion-like domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FUS (371-526)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FUS (371-526)' $FUS(371-526) Ligand $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FUS(371-526) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FUS(371-526) _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; RRADFNRGGGNGRGGRGRGG PMGRGGYGGGGSGGGGRGGF PSGGGGGGGQQRAGDWKCPN PTCENMNFSWRNECNQCKAP KPDGPGGGPGGSHMGGNYGD DRRGGRGGYDRGGYRGRGGD RGGFRGGRGGGDRGGFGPGK MDSRGEHRQDRRERPYLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 371 ARG 2 372 ARG 3 373 ALA 4 374 ASP 5 375 PHE 6 376 ASN 7 377 ARG 8 378 GLY 9 379 GLY 10 380 GLY 11 381 ASN 12 382 GLY 13 383 ARG 14 384 GLY 15 385 GLY 16 386 ARG 17 387 GLY 18 388 ARG 19 389 GLY 20 390 GLY 21 391 PRO 22 392 MET 23 393 GLY 24 394 ARG 25 395 GLY 26 396 GLY 27 397 TYR 28 398 GLY 29 399 GLY 30 400 GLY 31 401 GLY 32 402 SER 33 403 GLY 34 404 GLY 35 405 GLY 36 406 GLY 37 407 ARG 38 408 GLY 39 409 GLY 40 410 PHE 41 411 PRO 42 412 SER 43 413 GLY 44 414 GLY 45 415 GLY 46 416 GLY 47 417 GLY 48 418 GLY 49 419 GLY 50 420 GLN 51 421 GLN 52 422 ARG 53 423 ALA 54 424 GLY 55 425 ASP 56 426 TRP 57 427 LYS 58 428 CYS 59 429 PRO 60 430 ASN 61 431 PRO 62 432 THR 63 433 CYS 64 434 GLU 65 435 ASN 66 436 MET 67 437 ASN 68 438 PHE 69 439 SER 70 440 TRP 71 441 ARG 72 442 ASN 73 443 GLU 74 444 CYS 75 445 ASN 76 446 GLN 77 447 CYS 78 448 LYS 79 449 ALA 80 450 PRO 81 451 LYS 82 452 PRO 83 453 ASP 84 454 GLY 85 455 PRO 86 456 GLY 87 457 GLY 88 458 GLY 89 459 PRO 90 460 GLY 91 461 GLY 92 462 SER 93 463 HIS 94 464 MET 95 465 GLY 96 466 GLY 97 467 ASN 98 468 TYR 99 469 GLY 100 470 ASP 101 471 ASP 102 472 ARG 103 473 ARG 104 474 GLY 105 475 GLY 106 476 ARG 107 477 GLY 108 478 GLY 109 479 TYR 110 480 ASP 111 481 ARG 112 482 GLY 113 483 GLY 114 484 TYR 115 485 ARG 116 486 GLY 117 487 ARG 118 488 GLY 119 489 GLY 120 490 ASP 121 491 ARG 122 492 GLY 123 493 GLY 124 494 PHE 125 495 ARG 126 496 GLY 127 497 GLY 128 498 ARG 129 499 GLY 130 500 GLY 131 501 GLY 132 502 ASP 133 503 ARG 134 504 GLY 135 505 GLY 136 506 PHE 137 507 GLY 138 508 PRO 139 509 GLY 140 510 LYS 141 511 MET 142 512 ASP 143 513 SER 144 514 ARG 145 515 GLY 146 516 GLU 147 517 HIS 148 518 ARG 149 519 GLN 150 520 ASP 151 521 ARG 152 522 ARG 153 523 GLU 154 524 ARG 155 525 PRO 156 526 TYR 157 527 LEU 158 528 GLU 159 529 HIS 160 530 HIS 161 531 HIS 162 532 HIS 163 533 HIS 164 534 HIS 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 '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 $FUS(371-526) 'E. coli' 562 Bacteria . Escherichia coli 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 $FUS(371-526) 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'FUS(371-526) in ZnCl2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FUS(371-526) 500 uM '[U-99% 13C; U-99% 15N]' $entity_ZN 4 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 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' 20 . mM pH 6 . pH pressure 1 . atm temperature 295 . 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 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FUS (371-526)' _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 1 371 1 ARG HA H 4.2275 . . 2 371 1 ARG CA C 55.36 . . 3 371 1 ARG CB C 32.14 . . 4 372 2 ARG H H 8.748 . . 5 372 2 ARG HA H 4.2275 . . 6 372 2 ARG CA C 56.275 . . 7 372 2 ARG CB C 31.084 . . 8 372 2 ARG N N 124.741 . . 9 373 3 ALA H H 8.355 . . 10 373 3 ALA HA H 4.3668 . . 11 373 3 ALA CA C 53.034 . . 12 373 3 ALA CB C 19.468 . . 13 373 3 ALA N N 125.681 . . 14 374 4 ASP H H 8.166 . . 15 374 4 ASP HA H 4.5244 . . 16 374 4 ASP CA C 54.416 . . 17 374 4 ASP CB C 41.337 . . 18 374 4 ASP N N 119.113 . . 19 375 5 PHE H H 8.029 . . 20 375 5 PHE HA H 4.5213 . . 21 375 5 PHE CA C 58.274 . . 22 375 5 PHE CB C 39.485 . . 23 375 5 PHE N N 120.493 . . 24 376 6 ASN H H 8.339 . . 25 376 6 ASN HA H 4.5903 . . 26 376 6 ASN CA C 53.482 . . 27 376 6 ASN CB C 39.067 . . 28 376 6 ASN N N 120.296 . . 29 377 7 ARG H H 8.197 . . 30 377 7 ARG HA H 4.2641 . . 31 377 7 ARG CA C 56.703 . . 32 377 7 ARG CB C 30.724 . . 33 377 7 ARG N N 121.705 . . 34 378 8 GLY H H 8.341 . . 35 378 8 GLY HA2 H 3.9054 . . 36 378 8 GLY HA3 H 3.9054 . . 37 378 8 GLY CA C 45.672 . . 38 378 8 GLY N N 109.263 . . 39 380 10 GLY H H 8.318 . . 40 380 10 GLY HA2 H 3.9417 . . 41 380 10 GLY HA3 H 3.9417 . . 42 380 10 GLY CA C 45.476 . . 43 380 10 GLY N N 108.818 . . 44 381 11 ASN H H 8.282 . . 45 381 11 ASN HA H 4.6791 . . 46 381 11 ASN CA C 53.33 . . 47 381 11 ASN CB C 39.023 . . 48 381 11 ASN N N 118.661 . . 49 382 12 GLY H H 8.424 . . 50 382 12 GLY HA2 H 3.9079 . . 51 382 12 GLY HA3 H 3.9079 . . 52 382 12 GLY CA C 45.772 . . 53 382 12 GLY N N 109.172 . . 54 383 13 ARG H H 8.191 . . 55 383 13 ARG HA H 4.2019 . . 56 383 13 ARG CA C 56.447 . . 57 383 13 ARG CB C 30.677 . . 58 383 13 ARG N N 120.362 . . 59 384 14 GLY H H 8.371 . . 60 384 14 GLY HA2 H 3.8853 . . 61 384 14 GLY HA3 H 3.8853 . . 62 384 14 GLY CA C 45.63 . . 63 384 14 GLY N N 109.329 . . 64 386 16 ARG H H 8.346 . . 65 386 16 ARG HA H 4.2977 . . 66 386 16 ARG CA C 56.3645 . . 67 386 16 ARG CB C 30.6379 . . 68 386 16 ARG N N 121.9234 . . 69 388 18 ARG H H 8.54 . . 70 388 18 ARG CA C 56.547 . . 71 388 18 ARG CB C 31.019 . . 72 388 18 ARG N N 124.369 . . 73 391 21 PRO CA C 62.914 . . 74 391 21 PRO CB C 32.264 . . 75 392 22 MET H H 8.685 . . 76 392 22 MET HA H 4.375 . . 77 392 22 MET CA C 56.127 . . 78 392 22 MET CB C 32.828 . . 79 392 22 MET N N 121.079 . . 80 393 23 GLY H H 8.259 . . 81 393 23 GLY HA2 H 3.9355 . . 82 393 23 GLY HA3 H 3.9355 . . 83 393 23 GLY CA C 45.544 . . 84 393 23 GLY N N 109.72 . . 85 394 24 ARG H H 8.244 . . 86 394 24 ARG HA H 4.2383 . . 87 394 24 ARG CA C 56.626 . . 88 394 24 ARG CB C 30.181 . . 89 394 24 ARG N N 120.798 . . 90 397 27 TYR CA C 58.578 . . 91 397 27 TYR CB C 38.822 . . 92 398 28 GLY H H 8.276 . . 93 398 28 GLY HA2 H 3.8703 . . 94 398 28 GLY HA3 H 3.8703 . . 95 398 28 GLY CA C 45.573 . . 96 398 28 GLY N N 110.131 . . 97 401 31 GLY CA C 45.369 . . 98 402 32 SER H H 8.314 . . 99 402 32 SER HA H 4.4318 . . 100 402 32 SER CA C 58.802 . . 101 402 32 SER CB C 64.176 . . 102 402 32 SER N N 115.725 . . 103 403 33 GLY H H 8.433 . . 104 403 33 GLY HA2 H 3.9938 . . 105 403 33 GLY HA3 H 3.9938 . . 106 403 33 GLY CA C 45.615 . . 107 403 33 GLY N N 110.906 . . 108 407 37 ARG H H 8.394 . . 109 407 37 ARG HA H 4.2935 . . 110 407 37 ARG CA C 56.475 . . 111 407 37 ARG CB C 33.081 . . 112 407 37 ARG N N 121.306 . . 113 411 41 PRO CA C 63.616 . . 114 411 41 PRO CB C 32.091 . . 115 412 42 SER H H 8.388 . . 116 412 42 SER HA H 4.4388 . . 117 412 42 SER CA C 58.82 . . 118 412 42 SER CB C 64.165 . . 119 412 42 SER N N 116.28 . . 120 413 43 GLY H H 8.473 . . 121 413 43 GLY HA2 H 3.9655 . . 122 413 43 GLY HA3 H 3.9655 . . 123 413 43 GLY CA C 45.583 . . 124 413 43 GLY N N 110.869 . . 125 414 44 GLY HA2 H 3.8856 . . 126 414 44 GLY HA3 H 3.8856 . . 127 415 45 GLY H H 8.105 . . 128 415 45 GLY HA2 H 3.8226 . . 129 415 45 GLY HA3 H 3.8226 . . 130 415 45 GLY CA C 41.199 . . 131 415 45 GLY N N 108.303 . . 132 419 49 GLY CA C 44.794 . . 133 420 50 GLN H H 8.435 . . 134 420 50 GLN HA H 4.2298 . . 135 420 50 GLN CA C 56.77 . . 136 420 50 GLN CB C 28.58 . . 137 420 50 GLN N N 125.536 . . 138 421 51 GLN H H 8.75 . . 139 421 51 GLN HA H 4.246 . . 140 421 51 GLN CA C 56.674 . . 141 421 51 GLN CB C 28.705 . . 142 421 51 GLN N N 118.126 . . 143 422 52 ARG H H 7.635 . . 144 422 52 ARG HA H 4.206 . . 145 422 52 ARG CA C 56.598 . . 146 422 52 ARG CB C 31.028 . . 147 422 52 ARG N N 109.206 . . 148 423 53 ALA H H 7.433 . . 149 423 53 ALA HA H 4.319 . . 150 423 53 ALA CA C 52.865 . . 151 423 53 ALA CB C 19.324 . . 152 423 53 ALA N N 129.133 . . 153 424 54 GLY H H 8.514 . . 154 424 54 GLY HA2 H 3.983 . . 155 424 54 GLY HA3 H 3.983 . . 156 424 54 GLY CA C 45.559 . . 157 424 54 GLY N N 139.866 . . 158 425 55 ASP H H 7.951 . . 159 425 55 ASP HA H 4.774 . . 160 425 55 ASP CA C 55.3872 . . 161 425 55 ASP CB C 41.1587 . . 162 425 55 ASP N N 122.242 . . 163 426 56 TRP H H 8.771 . . 164 426 56 TRP HA H 5.004 . . 165 426 56 TRP CA C 53.6042 . . 166 426 56 TRP CB C 31.1414 . . 167 426 56 TRP N N 118.406 . . 168 427 57 LYS H H 8.696 . . 169 427 57 LYS HA H 4.341 . . 170 427 57 LYS CA C 55.4834 . . 171 427 57 LYS CB C 33.7975 . . 172 427 57 LYS N N 125.45 . . 173 428 58 CYS H H 8.662 . . 174 428 58 CYS HA H 4.608 . . 175 428 58 CYS CA C 57.7985 . . 176 428 58 CYS CB C 31.8604 . . 177 428 58 CYS N N 106.535 . . 178 429 59 PRO CA C 63.3912 . . 179 429 59 PRO CB C 32.2283 . . 180 430 60 ASN H H 9.187 . . 181 430 60 ASN HA H 4.799 . . 182 430 60 ASN CA C 51.125 . . 183 430 60 ASN CB C 39.1695 . . 184 430 60 ASN N N 126.714 . . 185 431 61 PRO CA C 64.6604 . . 186 431 61 PRO CB C 32.5597 . . 187 432 62 THR H H 8.047 . . 188 432 62 THR HA H 3.924 . . 189 432 62 THR CA C 61.7063 . . 190 432 62 THR CB C 68.7725 . . 191 432 62 THR N N 113.278 . . 192 433 63 CYS H H 8.067 . . 193 433 63 CYS HA H 4.318 . . 194 433 63 CYS CA C 60.2874 . . 195 433 63 CYS CB C 32.5097 . . 196 433 63 CYS N N 125.849 . . 197 434 64 GLU H H 7.579 . . 198 434 64 GLU HA H 4.369 . . 199 434 64 GLU CA C 57.9026 . . 200 434 64 GLU CB C 28.1155 . . 201 434 64 GLU N N 111.183 . . 202 435 65 ASN H H 8.352 . . 203 435 65 ASN HA H 4.582 . . 204 435 65 ASN CA C 54.8555 . . 205 435 65 ASN CB C 41.0544 . . 206 435 65 ASN N N 119.82 . . 207 436 66 MET H H 7.888 . . 208 436 66 MET HA H 4.655 . . 209 436 66 MET CA C 53.0391 . . 210 436 66 MET CB C 30.3657 . . 211 436 66 MET N N 121.725 . . 212 437 67 ASN H H 8.954 . . 213 437 67 ASN HA H 4.725 . . 214 437 67 ASN CA C 52.1937 . . 215 437 67 ASN CB C 43.5031 . . 216 437 67 ASN N N 119.358 . . 217 438 68 PHE H H 6.821 . . 218 438 68 PHE HA H 4.475 . . 219 438 68 PHE CA C 56.4962 . . 220 438 68 PHE CB C 38.9951 . . 221 438 68 PHE N N 116.817 . . 222 439 69 SER H H 9.169 . . 223 439 69 SER HA H 4.477 . . 224 439 69 SER CA C 61.545 . . 225 439 69 SER CB C 62.9107 . . 226 439 69 SER N N 116.299 . . 227 440 70 TRP H H 6.74 . . 228 440 70 TRP HA H 4.626 . . 229 440 70 TRP CA C 55.8394 . . 230 440 70 TRP CB C 28.4171 . . 231 440 70 TRP N N 114.67 . . 232 441 71 ARG H H 7.8057 . . 233 441 71 ARG CA C 56.4611 . . 234 441 71 ARG CB C 30.6219 . . 235 441 71 ARG N N 122.6697 . . 236 442 72 ASN H H 8.491 . . 237 442 72 ASN HA H 4.566 . . 238 442 72 ASN CA C 53.6951 . . 239 442 72 ASN CB C 39.3462 . . 240 442 72 ASN N N 118.573 . . 241 443 73 GLU H H 7.69 . . 242 443 73 GLU HA H 5.159 . . 243 443 73 GLU CA C 54.0364 . . 244 443 73 GLU CB C 32.5316 . . 245 443 73 GLU N N 117.652 . . 246 444 74 CYS H H 9.669 . . 247 444 74 CYS HA H 3.98 . . 248 444 74 CYS CA C 58.7291 . . 249 444 74 CYS CB C 30.9983 . . 250 444 74 CYS N N 126.242 . . 251 445 75 ASN H H 8.54 . . 252 445 75 ASN HA H 4.426 . . 253 445 75 ASN CA C 55.9619 . . 254 445 75 ASN CB C 38.8002 . . 255 445 75 ASN N N 127.336 . . 256 446 76 GLN H H 9.128 . . 257 446 76 GLN HA H 4.407 . . 258 446 76 GLN CA C 57.4498 . . 259 446 76 GLN CB C 30.4068 . . 260 446 76 GLN N N 120.493 . . 261 447 77 CYS H H 8.127 . . 262 447 77 CYS HA H 4.935 . . 263 447 77 CYS CA C 59.1254 . . 264 447 77 CYS CB C 31.9947 . . 265 447 77 CYS N N 118.381 . . 266 448 78 LYS H H 7.671 . . 267 448 78 LYS HA H 4.096 . . 268 448 78 LYS CA C 58.6983 . . 269 448 78 LYS CB C 29.7498 . . 270 448 78 LYS N N 116.908 . . 271 449 79 ALA H H 9.011 . . 272 449 79 ALA HA H 4.474 . . 273 449 79 ALA CA C 52.0621 . . 274 449 79 ALA CB C 18.8205 . . 275 449 79 ALA N N 127.647 . . 276 450 80 PRO CA C 62.3116 . . 277 450 80 PRO CB C 32.1829 . . 278 451 81 LYS H H 7.232 . . 279 451 81 LYS HA H 4.543 . . 280 451 81 LYS CA C 54.219 . . 281 451 81 LYS CB C 33.4555 . . 282 451 81 LYS N N 123.02 . . 283 452 82 PRO CA C 63.2039 . . 284 452 82 PRO CB C 32.1803 . . 285 453 83 ASP H H 8.219 . . 286 453 83 ASP HA H 4.584 . . 287 453 83 ASP CA C 54.2314 . . 288 453 83 ASP CB C 41.3055 . . 289 453 83 ASP N N 121.22 . . 290 454 84 GLY H H 7.967 . . 291 454 84 GLY HA2 H 3.965 . . 292 454 84 GLY HA3 H 3.965 . . 293 454 84 GLY CA C 44.7916 . . 294 454 84 GLY N N 108.445 . . 295 456 86 GLY H H 8.556 . . 296 456 86 GLY HA2 H 3.9433 . . 297 456 86 GLY HA3 H 3.9433 . . 298 456 86 GLY CA C 45.606 . . 299 456 86 GLY N N 109.574 . . 300 457 87 GLY H H 8.206 . . 301 457 87 GLY HA2 H 3.9507 . . 302 457 87 GLY HA3 H 3.9507 . . 303 457 87 GLY CA C 45.4 . . 304 457 87 GLY N N 108.497 . . 305 459 89 PRO HA H 4.3995 . . 306 459 89 PRO CA C 63.723 . . 307 459 89 PRO CB C 32.234 . . 308 460 90 GLY H H 8.492 . . 309 460 90 GLY HA2 H 3.9433 . . 310 460 90 GLY HA3 H 3.9433 . . 311 460 90 GLY CA C 45.464 . . 312 460 90 GLY N N 109.467 . . 313 461 91 GLY HA2 H 3.9466 . . 314 461 91 GLY HA3 H 3.9466 . . 315 461 91 GLY CA C 45.452 . . 316 462 92 SER H H 8.146 . . 317 462 92 SER HA H 4.3634 . . 318 462 92 SER CA C 58.744 . . 319 462 92 SER CB C 64.148 . . 320 462 92 SER N N 115.271 . . 321 463 93 HIS H H 8.373 . . 322 463 93 HIS HA H 4.71 . . 323 463 93 HIS CA C 56.81 . . 324 463 93 HIS CB C 29.89 . . 325 463 93 HIS N N 122.387 . . 326 464 94 MET HA H 4.6219 . . 327 464 94 MET CA C 55.993 . . 328 464 94 MET CB C 33.019 . . 329 465 95 GLY H H 8.2593 . . 330 465 95 GLY HA2 H 3.9355 . . 331 465 95 GLY HA3 H 3.9355 . . 332 465 95 GLY CA C 45.591 . . 333 465 95 GLY N N 109.859 . . 334 466 96 GLY H H 8.235 . . 335 466 96 GLY HA2 H 3.9371 . . 336 466 96 GLY HA3 H 3.9371 . . 337 466 96 GLY CA C 45.559 . . 338 466 96 GLY N N 108.584 . . 339 467 97 ASN H H 8.387 . . 340 467 97 ASN HA H 4.7051 . . 341 467 97 ASN CA C 53.42 . . 342 467 97 ASN CB C 39.09 . . 343 467 97 ASN N N 118.54 . . 344 468 98 TYR H H 8.197 . . 345 468 98 TYR HA H 4.4748 . . 346 468 98 TYR CA C 58.67 . . 347 468 98 TYR CB C 38.903 . . 348 468 98 TYR N N 120.857 . . 349 469 99 GLY H H 8.405 . . 350 469 99 GLY HA2 H 3.8821 . . 351 469 99 GLY HA3 H 3.8821 . . 352 469 99 GLY CA C 45.569 . . 353 469 99 GLY N N 111.373 . . 354 470 100 ASP H H 8.251 . . 355 470 100 ASP HA H 4.5785 . . 356 470 100 ASP CA C 54.706 . . 357 470 100 ASP CB C 41.424 . . 358 470 100 ASP N N 120.344 . . 359 471 101 ASP H H 8.355 . . 360 471 101 ASP HA H 4.5628 . . 361 471 101 ASP CA C 54.748 . . 362 471 101 ASP CB C 41.072 . . 363 471 101 ASP N N 120.985 . . 364 472 102 ARG H H 8.375 . . 365 472 102 ARG HA H 4.2615 . . 366 472 102 ARG CA C 56.414 . . 367 472 102 ARG CB C 30.548 . . 368 472 102 ARG N N 121.502 . . 369 473 103 ARG H H 8.207 . . 370 473 103 ARG HA H 4.2443 . . 371 473 103 ARG CA C 56.721 . . 372 473 103 ARG CB C 30.608 . . 373 473 103 ARG N N 120.619 . . 374 474 104 GLY H H 8.414 . . 375 474 104 GLY HA2 H 3.9079 . . 376 474 104 GLY HA3 H 3.9079 . . 377 474 104 GLY CA C 45.723 . . 378 474 104 GLY N N 109.324 . . 379 475 105 GLY HA2 H 3.9021 . . 380 475 105 GLY HA3 H 3.9021 . . 381 476 106 ARG H H 8.246 . . 382 476 106 ARG HA H 4.3222 . . 383 476 106 ARG CA C 56.457 . . 384 476 106 ARG CB C 30.866 . . 385 476 106 ARG N N 120.654 . . 386 477 107 GLY H H 8.415 . . 387 477 107 GLY HA2 H 3.8974 . . 388 477 107 GLY HA3 H 3.8974 . . 389 477 107 GLY CA C 45.68 . . 390 477 107 GLY N N 109.846 . . 391 478 108 GLY H H 8.49 . . 392 478 108 GLY HA2 H 3.9191 . . 393 478 108 GLY HA3 H 3.9191 . . 394 478 108 GLY CA C 45.455 . . 395 478 108 GLY N N 110.131 . . 396 479 109 TYR H H 8.029 . . 397 479 109 TYR HA H 4.5049 . . 398 479 109 TYR CA C 58.25 . . 399 479 109 TYR CB C 38.991 . . 400 479 109 TYR N N 119.886 . . 401 480 110 ASP H H 8.302 . . 402 480 110 ASP HA H 4.5319 . . 403 480 110 ASP CA C 54.597 . . 404 480 110 ASP CB C 41.368 . . 405 480 110 ASP N N 122.082 . . 406 481 111 ARG H H 8.223 . . 407 481 111 ARG HA H 4.2311 . . 408 481 111 ARG CA C 56.695 . . 409 481 111 ARG CB C 30.534 . . 410 481 111 ARG N N 121.961 . . 411 482 112 GLY H H 8.373 . . 412 482 112 GLY HA2 H 3.9144 . . 413 482 112 GLY HA3 H 3.9144 . . 414 482 112 GLY CA C 45.584 . . 415 482 112 GLY N N 109.611 . . 416 483 113 GLY HA2 H 3.8739 . . 417 483 113 GLY HA3 H 3.8739 . . 418 483 113 GLY CA C 45.421 . . 419 484 114 TYR H H 8.121 . . 420 484 114 TYR HA H 4.5685 . . 421 484 114 TYR CA C 58.754 . . 422 484 114 TYR CB C 38.89 . . 423 484 114 TYR N N 120.552 . . 424 485 115 ARG H H 8.275 . . 425 485 115 ARG HA H 4.2185 . . 426 485 115 ARG CA C 56.26 . . 427 485 115 ARG CB C 30.778 . . 428 485 115 ARG N N 123.795 . . 429 486 116 GLY H H 7.685 . . 430 486 116 GLY HA2 H 3.867 . . 431 486 116 GLY HA3 H 3.867 . . 432 486 116 GLY CA C 45.395 . . 433 486 116 GLY N N 108.816 . . 434 487 117 ARG H H 8.299 . . 435 487 117 ARG HA H 4.3294 . . 436 487 117 ARG CA C 56.45 . . 437 487 117 ARG CB C 30.894 . . 438 487 117 ARG N N 120.576 . . 439 488 118 GLY H H 8.451 . . 440 488 118 GLY HA2 H 3.9201 . . 441 488 118 GLY HA3 H 3.9201 . . 442 488 118 GLY CA C 45.543 . . 443 488 118 GLY N N 109.836 . . 444 489 119 GLY HA2 H 3.9257 . . 445 489 119 GLY HA3 H 3.9257 . . 446 489 119 GLY CA C 45.56 . . 447 490 120 ASP H H 8.239 . . 448 490 120 ASP HA H 4.5512 . . 449 490 120 ASP CA C 54.95 . . 450 490 120 ASP CB C 41.456 . . 451 490 120 ASP N N 120.598 . . 452 491 121 ARG H H 8.369 . . 453 491 121 ARG HA H 4.2844 . . 454 491 121 ARG CA C 56.37 . . 455 491 121 ARG CB C 30.543 . . 456 491 121 ARG N N 121.361 . . 457 492 122 GLY H H 7.794 . . 458 492 122 GLY HA2 H 3.8599 . . 459 492 122 GLY HA3 H 3.8599 . . 460 492 122 GLY CA C 45.55 . . 461 492 122 GLY N N 109.081 . . 462 493 123 GLY H H 7.897 . . 463 493 123 GLY HA2 H 3.867 . . 464 493 123 GLY HA3 H 3.867 . . 465 493 123 GLY CA C 45.4 . . 466 493 123 GLY N N 108.265 . . 467 494 124 PHE H H 8.268 . . 468 494 124 PHE HA H 4.6791 . . 469 494 124 PHE CA C 57.413 . . 470 494 124 PHE CB C 39.0579 . . 471 494 124 PHE N N 118.757 . . 472 495 125 ARG H H 8.347 . . 473 495 125 ARG HA H 4.2615 . . 474 495 125 ARG CA C 56.084 . . 475 495 125 ARG CB C 30.0215 . . 476 495 125 ARG N N 121.326 . . 477 498 128 ARG H H 8.409 . . 478 498 128 ARG HA H 4.2388 . . 479 498 128 ARG CA C 56.535 . . 480 498 128 ARG CB C 30.415 . . 481 498 128 ARG N N 121.639 . . 482 503 133 ARG H H 8.35 . . 483 503 133 ARG HA H 4.2341 . . 484 503 133 ARG CA C 57.395 . . 485 503 133 ARG CB C 32.95 . . 486 503 133 ARG N N 118.622 . . 487 504 134 GLY H H 8.439 . . 488 504 134 GLY HA2 H 3.9551 . . 489 504 134 GLY HA3 H 3.9551 . . 490 504 134 GLY CA C 45.45 . . 491 504 134 GLY N N 110.2325 . . 492 505 135 GLY H H 8.16 . . 493 505 135 GLY HA2 H 3.888 . . 494 505 135 GLY HA3 H 3.888 . . 495 505 135 GLY CA C 45.298 . . 496 505 135 GLY N N 108.5 . . 497 506 136 PHE H H 8.102 . . 498 506 136 PHE HA H 4.6382 . . 499 506 136 PHE CA C 57.745 . . 500 506 136 PHE CB C 40.176 . . 501 506 136 PHE N N 119.514 . . 502 507 137 GLY H H 8.251 . . 503 507 137 GLY HA2 H 4.0358 . . 504 507 137 GLY HA3 H 4.0358 . . 505 507 137 GLY CA C 45.574 . . 506 507 137 GLY N N 110.326 . . 507 508 138 PRO CA C 63.164 . . 508 508 138 PRO CB C 32.752 . . 509 509 139 GLY H H 8.589 . . 510 509 139 GLY HA2 H 3.9315 . . 511 509 139 GLY HA3 H 3.9315 . . 512 509 139 GLY CA C 45.339 . . 513 509 139 GLY N N 110.468 . . 514 510 140 LYS H H 8.11 . . 515 510 140 LYS HA H 4.2876 . . 516 510 140 LYS CA C 56.466 . . 517 510 140 LYS CB C 33.323 . . 518 510 140 LYS N N 120.774 . . 519 511 141 MET H H 8.463 . . 520 511 141 MET HA H 4.3001 . . 521 511 141 MET CA C 55.789 . . 522 511 141 MET CB C 33.147 . . 523 511 141 MET N N 121.69 . . 524 512 142 ASP H H 8.314 . . 525 512 142 ASP HA H 4.611 . . 526 512 142 ASP CA C 54.5 . . 527 512 142 ASP CB C 41.597 . . 528 512 142 ASP N N 121.897 . . 529 513 143 SER H H 8.345 . . 530 513 143 SER HA H 4.3888 . . 531 513 143 SER CA C 59.051 . . 532 513 143 SER CB C 63.914 . . 533 513 143 SER N N 117.236 . . 534 514 144 ARG H H 8.37 . . 535 514 144 ARG HA H 4.3077 . . 536 514 144 ARG CA C 57.035 . . 537 514 144 ARG CB C 30.605 . . 538 514 144 ARG N N 122.483 . . 539 515 145 GLY H H 8.266 . . 540 515 145 GLY HA2 H 3.9182 . . 541 515 145 GLY HA3 H 3.9182 . . 542 515 145 GLY CA C 45.588 . . 543 515 145 GLY N N 108.91 . . 544 516 146 GLU H H 8.244 . . 545 516 146 GLU HA H 4.306 . . 546 516 146 GLU CA C 56.232 . . 547 516 146 GLU CB C 29.11 . . 548 516 146 GLU N N 119.737 . . 549 517 147 HIS H H 8.578 . . 550 517 147 HIS HA H 4.6921 . . 551 517 147 HIS CA C 55.411 . . 552 517 147 HIS CB C 28.953 . . 553 517 147 HIS N N 119.663 . . 554 518 148 ARG H H 8.358 . . 555 518 148 ARG HA H 4.2666 . . 556 518 148 ARG CA C 56.567 . . 557 518 148 ARG CB C 31.057 . . 558 518 148 ARG N N 122.771 . . 559 519 149 GLN H H 8.571 . . 560 519 149 GLN HA H 4.278 . . 561 519 149 GLN CA C 56.322 . . 562 519 149 GLN CB C 29.531 . . 563 519 149 GLN N N 121.631 . . 564 520 150 ASP H H 8.355 . . 565 520 150 ASP HA H 4.557 . . 566 520 150 ASP CA C 54.617 . . 567 520 150 ASP CB C 41.371 . . 568 520 150 ASP N N 121.837 . . 569 521 151 ARG H H 8.251 . . 570 521 151 ARG HA H 4.2964 . . 571 521 151 ARG CA C 56.382 . . 572 521 151 ARG CB C 30.683 . . 573 521 151 ARG N N 121.696 . . 574 522 152 ARG H H 8.349 . . 575 522 152 ARG HA H 4.2351 . . 576 522 152 ARG CA C 56.286 . . 577 522 152 ARG CB C 30.764 . . 578 522 152 ARG N N 123.819 . . 579 523 153 GLU H H 8.359 . . 580 523 153 GLU HA H 4.293 . . 581 523 153 GLU CA C 56.849 . . 582 523 153 GLU CB C 30.598 . . 583 523 153 GLU N N 122.594 . . 584 524 154 ARG H H 8.172 . . 585 524 154 ARG HA H 4.5357 . . 586 524 154 ARG CA C 54.014 . . 587 524 154 ARG CB C 30.765 . . 588 524 154 ARG N N 122.01 . . 589 525 155 PRO HA H 4.3677 . . 590 525 155 PRO CA C 63.747 . . 591 525 155 PRO CB C 31.829 . . 592 526 156 TYR H H 7.43 . . 593 526 156 TYR HA H 4.3101 . . 594 526 156 TYR CA C 59.182 . . 595 526 156 TYR CB C 39.383 . . 596 526 156 TYR N N 123.715 . . stop_ save_