data_27339 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts of UBQLN2 residues 450-624 ; _BMRB_accession_number 27339 _BMRB_flat_file_name bmr27339.str _Entry_type original _Submission_date 2017-12-11 _Accession_date 2017-12-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone H, N, Ca, Cb, CO chemical shifts of human ubiquilin-2 (UBQLN2) residues 450-624.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Castaneda Carlos A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 "13C chemical shifts" 435 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-16 original BMRB . stop_ _Original_release_date 2017-12-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ubiquitin Modulates Liquid-Liquid Phase Separation of UBQLN2 via Disruption of Multivalent Interactions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29526694 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dao Thuy P. . 2 Kolaitis Regina-Maria M. . 3 Kim 'Hong Joo' J. . 4 O'Donovan Kevin . . 5 Martyniak Brian . . 6 Colicino Erica . . 7 Hehnly Heidi . . 8 Taylor 'J Paul' P. . 9 Castaneda Carlos A. . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_name_full 'Molecular cell' _Journal_volume S1097 _Journal_issue 18 _Journal_ISSN 1097-4164 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30102 _Page_last 30103 _Year 2018 _Details . loop_ _Keyword NMR 'phase separation' ubiquilin-2 ubiquitin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human ubiquilin-2 (UBQLN2) residues 450-624' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UBQLN2 $UBQLN2_450-624 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_UBQLN2_450-624 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UBQLN2_450-624 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Proteasomal shuttle protein, autophagy, protein quality control' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; MRAMQALMQIQQGLQTLATE APGLIPSFTPGVGVGVLGTA IGPVGPVTPIGPIGPIVPFT PIGPIGPIGPTGPAAPPGST GSGGPTGPTVSSAAPSETTS PTSESGPNQQFIQQMVQALA GANAPQLPNPEVRFQQQLEQ LNAMGFLNREANLQALIATG GDINAAIERLLGSQPSW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 449 MET 2 450 ARG 3 451 ALA 4 452 MET 5 453 GLN 6 454 ALA 7 455 LEU 8 456 MET 9 457 GLN 10 458 ILE 11 459 GLN 12 460 GLN 13 461 GLY 14 462 LEU 15 463 GLN 16 464 THR 17 465 LEU 18 466 ALA 19 467 THR 20 468 GLU 21 469 ALA 22 470 PRO 23 471 GLY 24 472 LEU 25 473 ILE 26 474 PRO 27 475 SER 28 476 PHE 29 477 THR 30 478 PRO 31 479 GLY 32 480 VAL 33 481 GLY 34 482 VAL 35 483 GLY 36 484 VAL 37 485 LEU 38 486 GLY 39 487 THR 40 488 ALA 41 489 ILE 42 490 GLY 43 491 PRO 44 492 VAL 45 493 GLY 46 494 PRO 47 495 VAL 48 496 THR 49 497 PRO 50 498 ILE 51 499 GLY 52 500 PRO 53 501 ILE 54 502 GLY 55 503 PRO 56 504 ILE 57 505 VAL 58 506 PRO 59 507 PHE 60 508 THR 61 509 PRO 62 510 ILE 63 511 GLY 64 512 PRO 65 513 ILE 66 514 GLY 67 515 PRO 68 516 ILE 69 517 GLY 70 518 PRO 71 519 THR 72 520 GLY 73 521 PRO 74 522 ALA 75 523 ALA 76 524 PRO 77 525 PRO 78 526 GLY 79 527 SER 80 528 THR 81 529 GLY 82 530 SER 83 531 GLY 84 532 GLY 85 533 PRO 86 534 THR 87 535 GLY 88 536 PRO 89 537 THR 90 538 VAL 91 539 SER 92 540 SER 93 541 ALA 94 542 ALA 95 543 PRO 96 544 SER 97 545 GLU 98 546 THR 99 547 THR 100 548 SER 101 549 PRO 102 550 THR 103 551 SER 104 552 GLU 105 553 SER 106 554 GLY 107 555 PRO 108 556 ASN 109 557 GLN 110 558 GLN 111 559 PHE 112 560 ILE 113 561 GLN 114 562 GLN 115 563 MET 116 564 VAL 117 565 GLN 118 566 ALA 119 567 LEU 120 568 ALA 121 569 GLY 122 570 ALA 123 571 ASN 124 572 ALA 125 573 PRO 126 574 GLN 127 575 LEU 128 576 PRO 129 577 ASN 130 578 PRO 131 579 GLU 132 580 VAL 133 581 ARG 134 582 PHE 135 583 GLN 136 584 GLN 137 585 GLN 138 586 LEU 139 587 GLU 140 588 GLN 141 589 LEU 142 590 ASN 143 591 ALA 144 592 MET 145 593 GLY 146 594 PHE 147 595 LEU 148 596 ASN 149 597 ARG 150 598 GLU 151 599 ALA 152 600 ASN 153 601 LEU 154 602 GLN 155 603 ALA 156 604 LEU 157 605 ILE 158 606 ALA 159 607 THR 160 608 GLY 161 609 GLY 162 610 ASP 163 611 ILE 164 612 ASN 165 613 ALA 166 614 ALA 167 615 ILE 168 616 GLU 169 617 ARG 170 618 LEU 171 619 LEU 172 620 GLY 173 621 SER 174 622 GLN 175 623 PRO 176 624 SER 177 625 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $UBQLN2_450-624 Human 9606 Eukaryota Metazoa Homo sapiens UBQLN2 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 $UBQLN2_450-624 'recombinant technology' . Escherichia coli . pET24b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_450C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UBQLN2_450-624 200 uM '[U-99% 13C; U-99% 15N]' 'Na Phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_450C save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N_450C save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_450C save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N_450C save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $13C_15N_450C save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N_450C save_ save_2D_N-CO_(C-detect)_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D N-CO (C-detect)' _Sample_label $13C_15N_450C save_ save_3D_HACANCACON_(C-detect)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACANCACON (C-detect)' _Sample_label $13C_15N_450C save_ save_3D_HACANCANCO_(C-detect)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACANCANCO (C-detect)' _Sample_label $13C_15N_450C save_ ####################### # Sample conditions # ####################### save_buffer_conditions _Saveframe_category sample_conditions _Details ; pH 6.8 20 mM NaPhosphate 0.1 mM EDTA ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 273 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CA)CO' '2D 1H-15N HSQC' '2D N-CO (C-detect)' '3D HACANCACON (C-detect)' '3D HACANCANCO (C-detect)' stop_ loop_ _Sample_label $13C_15N_450C stop_ _Sample_conditions_label $buffer_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UBQLN2 _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 1 450 2 ARG C C 175.6789 . . 2 450 2 ARG CA C 56.2481 . . 3 450 2 ARG CB C 30.9804 . . 4 451 3 ALA H H 8.5566 . . 5 451 3 ALA C C 177.8417 . . 6 451 3 ALA CA C 52.6536 . . 7 451 3 ALA CB C 19.0363 . . 8 451 3 ALA N N 126.9293 . . 9 452 4 MET H H 8.4499 . . 10 452 4 MET C C 176.4783 . . 11 452 4 MET CA C 55.8082 . . 12 452 4 MET CB C 32.7108 . . 13 452 4 MET N N 120.6589 . . 14 453 5 GLN H H 8.3456 . . 15 453 5 GLN C C 175.8862 . . 16 453 5 GLN CA C 56.3040 . . 17 453 5 GLN CB C 29.3082 . . 18 453 5 GLN N N 122.2548 . . 19 454 6 ALA H H 8.3239 . . 20 454 6 ALA C C 177.9613 . . 21 454 6 ALA N N 125.7804 . . 22 455 7 LEU C C 177.6968 . . 23 455 7 LEU CA C 55.7285 . . 24 455 7 LEU CB C 42.1819 . . 25 456 8 MET H H 8.2364 . . 26 456 8 MET C C 176.3204 . . 27 456 8 MET CA C 55.7770 . . 28 456 8 MET CB C 32.6932 . . 29 456 8 MET N N 121.1294 . . 30 457 9 GLN C C 176.2341 . . 31 457 9 GLN CA C 56.2004 . . 32 457 9 GLN CB C 29.4180 . . 33 458 10 ILE H H 8.1557 . . 34 458 10 ILE C C 176.6066 . . 35 458 10 ILE CA C 61.6728 . . 36 458 10 ILE CB C 38.5964 . . 37 458 10 ILE N N 122.8558 . . 38 459 11 GLN H H 8.4457 . . 39 459 11 GLN C C 176.0712 . . 40 459 11 GLN CA C 56.1870 . . 41 459 11 GLN CB C 29.2295 . . 42 459 11 GLN N N 124.7375 . . 43 460 12 GLN H H 8.4537 . . 44 460 12 GLN C C 176.5460 . . 45 460 12 GLN CA C 56.3188 . . 46 460 12 GLN CB C 29.4453 . . 47 460 12 GLN N N 122.5178 . . 48 461 13 GLY H H 8.4098 . . 49 461 13 GLY C C 174.1530 . . 50 461 13 GLY CA C 45.3805 . . 51 461 13 GLY N N 110.4075 . . 52 462 14 LEU H H 8.0932 . . 53 462 14 LEU C C 177.6083 . . 54 462 14 LEU CA C 55.3482 . . 55 462 14 LEU CB C 42.4019 . . 56 462 14 LEU N N 122.1193 . . 57 463 15 GLN C C 176.0697 . . 58 463 15 GLN CA C 55.9791 . . 59 463 15 GLN CB C 29.4388 . . 60 464 16 THR H H 8.1807 . . 61 464 16 THR C C 174.3437 . . 62 464 16 THR CA C 62.0369 . . 63 464 16 THR CB C 69.8267 . . 64 464 16 THR N N 116.8735 . . 65 465 17 LEU H H 8.2942 . . 66 465 17 LEU C C 177.1270 . . 67 465 17 LEU CA C 55.1398 . . 68 465 17 LEU CB C 42.4927 . . 69 465 17 LEU N N 125.6094 . . 70 466 18 ALA H H 8.3694 . . 71 466 18 ALA C C 177.8732 . . 72 466 18 ALA CA C 52.6722 . . 73 466 18 ALA CB C 19.1378 . . 74 466 18 ALA N N 126.0018 . . 75 467 19 THR H H 8.0470 . . 76 467 19 THR C C 174.4523 . . 77 467 19 THR CA C 61.9090 . . 78 467 19 THR CB C 69.8142 . . 79 467 19 THR N N 113.7056 . . 80 468 20 GLU H H 8.2414 . . 81 468 20 GLU C C 175.6936 . . 82 468 20 GLU CA C 56.2488 . . 83 468 20 GLU CB C 30.5517 . . 84 468 20 GLU N N 123.4152 . . 85 469 21 ALA H H 8.3681 . . 86 469 21 ALA C C 175.3508 . . 87 469 21 ALA CA C 50.5399 . . 88 469 21 ALA CB C 18.1127 . . 89 469 21 ALA N N 127.4942 . . 90 470 22 PRO C C 177.5826 . . 91 470 22 PRO CA C 63.3649 . . 92 470 22 PRO CB C 32.0448 . . 93 471 23 GLY H H 8.4246 . . 94 471 23 GLY C C 173.8638 . . 95 471 23 GLY CA C 45.1336 . . 96 471 23 GLY N N 109.5007 . . 97 472 24 LEU H H 8.0302 . . 98 472 24 LEU C C 177.1913 . . 99 472 24 LEU CA C 55.2134 . . 100 472 24 LEU CB C 42.3948 . . 101 472 24 LEU N N 122.3052 . . 102 473 25 ILE H H 8.2274 . . 103 473 25 ILE C C 174.5780 . . 104 473 25 ILE CA C 58.4326 . . 105 473 25 ILE CB C 38.4189 . . 106 473 25 ILE N N 124.7916 . . 107 474 26 PRO C C 176.6433 . . 108 474 26 PRO CA C 63.2553 . . 109 474 26 PRO CB C 32.2239 . . 110 474 26 PRO N N 140.7837 . . 111 475 27 SER H H 8.3464 . . 112 475 27 SER C C 173.9952 . . 113 475 27 SER CA C 58.3243 . . 114 475 27 SER CB C 63.9125 . . 115 475 27 SER N N 116.6805 . . 116 476 28 PHE H H 8.2466 . . 117 476 28 PHE C C 175.1369 . . 118 476 28 PHE CA C 57.6242 . . 119 476 28 PHE CB C 39.9624 . . 120 476 28 PHE N N 122.9682 . . 121 477 29 THR H H 8.1800 . . 122 477 29 THR C C 172.0823 . . 123 477 29 THR CA C 59.3098 . . 124 477 29 THR CB C 70.0719 . . 125 477 29 THR N N 120.9910 . . 126 478 30 PRO CA C 63.3027 . . 127 478 30 PRO CB C 32.1365 . . 128 478 30 PRO N N 138.9852 . . 129 479 31 GLY H H 8.4685 . . 130 479 31 GLY C C 173.9872 . . 131 479 31 GLY CA C 45.1647 . . 132 479 31 GLY N N 110.0771 . . 133 480 32 VAL H H 7.9839 . . 134 480 32 VAL C C 176.7126 . . 135 480 32 VAL CA C 62.4484 . . 136 480 32 VAL CB C 32.7256 . . 137 480 32 VAL N N 119.9246 . . 138 481 33 GLY C C 174.0109 . . 139 481 33 GLY CA C 45.1603 . . 140 482 34 VAL H H 8.0383 . . 141 482 34 VAL C C 176.7965 . . 142 482 34 VAL CA C 62.4607 . . 143 482 34 VAL CB C 32.6863 . . 144 482 34 VAL N N 119.7206 . . 145 483 35 GLY H H 8.5206 . . 146 483 35 GLY C C 174.0708 . . 147 483 35 GLY CA C 45.1641 . . 148 483 35 GLY N N 113.3379 . . 149 484 36 VAL H H 8.0070 . . 150 484 36 VAL C C 176.4322 . . 151 484 36 VAL CA C 62.4737 . . 152 484 36 VAL CB C 32.6731 . . 153 484 36 VAL N N 120.1434 . . 154 485 37 LEU H H 8.3976 . . 155 485 37 LEU C C 177.8944 . . 156 485 37 LEU CA C 55.3556 . . 157 485 37 LEU CB C 42.2924 . . 158 485 37 LEU N N 126.3585 . . 159 486 38 GLY H H 8.4021 . . 160 486 38 GLY C C 174.1473 . . 161 486 38 GLY CA C 45.3133 . . 162 486 38 GLY N N 110.4683 . . 163 487 39 THR H H 7.9515 . . 164 487 39 THR C C 174.1989 . . 165 487 39 THR CA C 61.7605 . . 166 487 39 THR CB C 69.9673 . . 167 487 39 THR N N 114.1623 . . 168 488 40 ALA H H 8.3477 . . 169 488 40 ALA C C 177.4656 . . 170 488 40 ALA CA C 52.5240 . . 171 488 40 ALA CB C 19.1966 . . 172 488 40 ALA N N 127.4980 . . 173 489 41 ILE H H 8.1640 . . 174 489 41 ILE C C 176.4071 . . 175 489 41 ILE CA C 61.1161 . . 176 489 41 ILE CB C 38.8086 . . 177 489 41 ILE N N 121.1181 . . 178 492 44 VAL H H 8.2334 . . 179 492 44 VAL C C 176.4429 . . 180 492 44 VAL CA C 62.2224 . . 181 492 44 VAL CB C 32.8897 . . 182 492 44 VAL N N 121.1747 . . 183 493 45 GLY H H 8.2786 . . 184 493 45 GLY C C 171.4825 . . 185 493 45 GLY CA C 44.3913 . . 186 493 45 GLY N N 113.4449 . . 187 494 46 PRO CA C 62.9690 . . 188 494 46 PRO N N 134.6375 . . 189 495 47 VAL C C 176.3956 . . 190 495 47 VAL CA C 62.4444 . . 191 495 47 VAL CB C 32.7482 . . 192 496 48 THR H H 8.3121 . . 193 496 48 THR C C 172.5066 . . 194 496 48 THR CA C 59.8899 . . 195 496 48 THR CB C 69.7668 . . 196 496 48 THR N N 122.5222 . . 197 497 49 PRO CA C 62.9833 . . 198 497 49 PRO CB C 32.1673 . . 199 497 49 PRO N N 139.2316 . . 200 502 54 GLY H H 8.2840 . . 201 502 54 GLY N N 113.9851 . . 202 504 56 ILE C C 176.3765 . . 203 504 56 ILE CA C 61.1148 . . 204 504 56 ILE CB C 38.3925 . . 205 505 57 VAL H H 8.3115 . . 206 505 57 VAL C C 174.2595 . . 207 505 57 VAL CA C 59.6655 . . 208 505 57 VAL CB C 32.6023 . . 209 505 57 VAL N N 127.8327 . . 210 506 58 PRO CA C 63.0329 . . 211 506 58 PRO CB C 32.1850 . . 212 506 58 PRO N N 139.3577 . . 213 507 59 PHE C C 175.3097 . . 214 507 59 PHE CA C 57.8807 . . 215 507 59 PHE CB C 39.7297 . . 216 508 60 THR H H 8.0045 . . 217 508 60 THR C C 171.6715 . . 218 508 60 THR CA C 59.2047 . . 219 508 60 THR CB C 70.0784 . . 220 508 60 THR N N 121.7923 . . 221 509 61 PRO CA C 62.8368 . . 222 509 61 PRO CB C 32.1441 . . 223 509 61 PRO N N 138.3439 . . 224 519 71 THR H H 8.5254 . . 225 519 71 THR C C 174.8119 . . 226 519 71 THR CA C 61.7289 . . 227 519 71 THR CB C 70.0604 . . 228 519 71 THR N N 116.1433 . . 229 520 72 GLY H H 8.1878 . . 230 520 72 GLY C C 171.6097 . . 231 520 72 GLY CA C 44.5740 . . 232 520 72 GLY N N 111.8857 . . 233 521 73 PRO C C 176.6937 . . 234 521 73 PRO CA C 63.0286 . . 235 521 73 PRO CB C 32.2061 . . 236 522 74 ALA H H 8.3913 . . 237 522 74 ALA C C 177.1195 . . 238 522 74 ALA CA C 52.1275 . . 239 522 74 ALA CB C 19.2187 . . 240 522 74 ALA N N 125.1972 . . 241 523 75 ALA H H 8.2605 . . 242 523 75 ALA C C 175.0466 . . 243 523 75 ALA CA C 50.2617 . . 244 523 75 ALA CB C 18.0298 . . 245 523 75 ALA N N 125.5819 . . 246 524 76 PRO C C 174.9232 . . 247 524 76 PRO CA C 61.3734 . . 248 524 76 PRO CB C 30.7103 . . 249 524 76 PRO N N 137.3234 . . 250 525 77 PRO C C 177.6528 . . 251 525 77 PRO CA C 63.4172 . . 252 525 77 PRO CB C 31.9524 . . 253 525 77 PRO N N 136.5709 . . 254 526 78 GLY H H 8.5586 . . 255 526 78 GLY C C 174.4256 . . 256 526 78 GLY CA C 45.2156 . . 257 526 78 GLY N N 110.4118 . . 258 527 79 SER H H 8.1800 . . 259 527 79 SER C C 175.0646 . . 260 527 79 SER CA C 58.5885 . . 261 527 79 SER CB C 64.0190 . . 262 527 79 SER N N 116.1442 . . 263 528 80 THR H H 8.3087 . . 264 528 80 THR C C 175.2439 . . 265 528 80 THR CA C 62.1574 . . 266 528 80 THR CB C 69.7927 . . 267 528 80 THR N N 116.0635 . . 268 529 81 GLY H H 8.4300 . . 269 529 81 GLY C C 174.3636 . . 270 529 81 GLY CA C 45.3484 . . 271 529 81 GLY N N 111.8836 . . 272 530 82 SER H H 8.3262 . . 273 530 82 SER C C 175.1180 . . 274 530 82 SER CA C 58.5751 . . 275 530 82 SER CB C 63.9327 . . 276 530 82 SER N N 116.3938 . . 277 531 83 GLY H H 8.5245 . . 278 531 83 GLY C C 174.3222 . . 279 531 83 GLY CA C 45.2316 . . 280 531 83 GLY N N 111.6073 . . 281 532 84 GLY H H 8.1205 . . 282 532 84 GLY C C 171.8807 . . 283 532 84 GLY CA C 44.4533 . . 284 532 84 GLY N N 109.4522 . . 285 533 85 PRO N N 134.8514 . . 286 534 86 THR H H 8.3143 . . 287 534 86 THR C C 174.8095 . . 288 534 86 THR CA C 61.7175 . . 289 534 86 THR CB C 70.0473 . . 290 534 86 THR N N 114.4219 . . 291 535 87 GLY H H 8.1708 . . 292 535 87 GLY C C 171.6247 . . 293 535 87 GLY CA C 44.6010 . . 294 535 87 GLY N N 111.8508 . . 295 536 88 PRO C C 177.2520 . . 296 536 88 PRO CA C 63.1651 . . 297 536 88 PRO CB C 32.2565 . . 298 537 89 THR H H 8.3710 . . 299 537 89 THR C C 174.6525 . . 300 537 89 THR CA C 62.1281 . . 301 537 89 THR CB C 69.8850 . . 302 537 89 THR N N 116.0127 . . 303 538 90 VAL H H 8.2399 . . 304 538 90 VAL C C 176.0871 . . 305 538 90 VAL CA C 62.1667 . . 306 538 90 VAL CB C 32.9558 . . 307 538 90 VAL N N 123.8325 . . 308 539 91 SER H H 8.4809 . . 309 539 91 SER C C 174.5493 . . 310 539 91 SER CA C 58.2571 . . 311 539 91 SER CB C 63.9069 . . 312 539 91 SER N N 120.7255 . . 313 540 92 SER H H 8.4046 . . 314 540 92 SER C C 173.9229 . . 315 540 92 SER CA C 58.3106 . . 316 540 92 SER CB C 63.8843 . . 317 540 92 SER N N 119.1646 . . 318 541 93 ALA H H 8.2642 . . 319 541 93 ALA C C 177.0396 . . 320 541 93 ALA CA C 52.2018 . . 321 541 93 ALA CB C 19.3326 . . 322 541 93 ALA N N 126.6246 . . 323 542 94 ALA H H 8.3016 . . 324 542 94 ALA C C 175.5893 . . 325 542 94 ALA CA C 50.5117 . . 326 542 94 ALA CB C 17.9271 . . 327 542 94 ALA N N 125.8881 . . 328 543 95 PRO C C 177.0533 . . 329 543 95 PRO CA C 63.1910 . . 330 543 95 PRO CB C 32.0664 . . 331 543 95 PRO N N 136.4432 . . 332 544 96 SER H H 8.4284 . . 333 544 96 SER C C 174.6929 . . 334 544 96 SER CA C 58.5019 . . 335 544 96 SER CB C 63.8214 . . 336 544 96 SER N N 116.8017 . . 337 545 97 GLU H H 8.5238 . . 338 545 97 GLU C C 176.6650 . . 339 545 97 GLU CA C 56.6703 . . 340 545 97 GLU CB C 30.3361 . . 341 545 97 GLU N N 123.5321 . . 342 546 98 THR H H 8.2749 . . 343 546 98 THR C C 174.6270 . . 344 546 98 THR CA C 61.9257 . . 345 546 98 THR CB C 69.8312 . . 346 546 98 THR N N 115.9110 . . 347 547 99 THR H H 8.1793 . . 348 547 99 THR C C 174.3001 . . 349 547 99 THR CA C 61.7839 . . 350 547 99 THR CB C 69.9468 . . 351 547 99 THR N N 117.4884 . . 352 548 100 SER H H 8.4355 . . 353 548 100 SER C C 172.7146 . . 354 548 100 SER CA C 56.4677 . . 355 548 100 SER CB C 63.2956 . . 356 548 100 SER N N 120.7012 . . 357 549 101 PRO C C 177.2603 . . 358 549 101 PRO CA C 63.4118 . . 359 549 101 PRO CB C 32.1855 . . 360 549 101 PRO N N 138.5137 . . 361 550 102 THR H H 8.2845 . . 362 550 102 THR C C 174.7658 . . 363 550 102 THR CA C 61.8217 . . 364 550 102 THR CB C 69.8546 . . 365 550 102 THR N N 114.6634 . . 366 551 103 SER H H 8.3107 . . 367 551 103 SER C C 174.6502 . . 368 551 103 SER CA C 58.5561 . . 369 551 103 SER CB C 63.8441 . . 370 551 103 SER N N 118.5480 . . 371 552 104 GLU H H 8.4837 . . 372 552 104 GLU C C 176.4927 . . 373 552 104 GLU CA C 56.7266 . . 374 552 104 GLU CB C 30.2039 . . 375 552 104 GLU N N 123.5385 . . 376 553 105 SER H H 8.3279 . . 377 553 105 SER C C 174.6075 . . 378 553 105 SER CA C 58.4670 . . 379 553 105 SER CB C 64.0014 . . 380 553 105 SER N N 117.2258 . . 381 554 106 GLY H H 8.2445 . . 382 554 106 GLY C C 172.0881 . . 383 554 106 GLY CA C 44.9082 . . 384 554 106 GLY N N 111.3782 . . 385 555 107 PRO CA C 63.5397 . . 386 555 107 PRO CB C 31.9623 . . 387 555 107 PRO N N 134.4545 . . 388 556 108 ASN H H 8.5644 . . 389 556 108 ASN C C 175.6156 . . 390 556 108 ASN CA C 53.6029 . . 391 556 108 ASN CB C 38.5905 . . 392 556 108 ASN N N 119.1437 . . 393 557 109 GLN H H 8.2994 . . 394 557 109 GLN C C 176.3203 . . 395 557 109 GLN CA C 56.8145 . . 396 557 109 GLN CB C 29.0212 . . 397 557 109 GLN N N 121.3445 . . 398 558 110 GLN H H 8.3156 . . 399 558 110 GLN C C 176.1937 . . 400 558 110 GLN CA C 56.8580 . . 401 558 110 GLN CB C 29.0476 . . 402 558 110 GLN N N 121.0511 . . 403 559 111 PHE H H 8.1605 . . 404 559 111 PHE C C 176.1323 . . 405 559 111 PHE CA C 58.4866 . . 406 559 111 PHE CB C 39.3408 . . 407 559 111 PHE N N 121.5918 . . 408 560 112 ILE H H 7.9649 . . 409 560 112 ILE C C 176.5000 . . 410 560 112 ILE CA C 61.8929 . . 411 560 112 ILE CB C 38.5412 . . 412 560 112 ILE N N 123.0735 . . 413 561 113 GLN H H 8.3286 . . 414 561 113 GLN C C 176.5130 . . 415 561 113 GLN CA C 56.6652 . . 416 561 113 GLN CB C 28.9782 . . 417 561 113 GLN N N 123.8317 . . 418 562 114 GLN CA C 56.5789 . . 419 562 114 GLN CB C 29.2000 . . 420 563 115 MET H H 8.2641 . . 421 563 115 MET C C 176.7282 . . 422 563 115 MET CA C 56.2572 . . 423 563 115 MET CB C 32.6461 . . 424 563 115 MET N N 122.2028 . . 425 564 116 VAL H H 8.1702 . . 426 564 116 VAL C C 176.8298 . . 427 564 116 VAL CA C 63.4128 . . 428 564 116 VAL CB C 32.4690 . . 429 564 116 VAL N N 122.3335 . . 430 565 117 GLN H H 8.3521 . . 431 565 117 GLN C C 176.2007 . . 432 565 117 GLN CA C 56.4112 . . 433 565 117 GLN CB C 29.2412 . . 434 565 117 GLN N N 124.1162 . . 435 566 118 ALA H H 8.2702 . . 436 566 118 ALA C C 178.1553 . . 437 566 118 ALA CA C 52.9619 . . 438 566 118 ALA CB C 18.9702 . . 439 566 118 ALA N N 125.6441 . . 440 567 119 LEU H H 8.1321 . . 441 567 119 LEU C C 177.4950 . . 442 567 119 LEU CA C 55.3525 . . 443 567 119 LEU CB C 42.2692 . . 444 567 119 LEU N N 121.6914 . . 445 568 120 ALA H H 8.1669 . . 446 568 120 ALA C C 178.4472 . . 447 568 120 ALA CA C 52.9755 . . 448 568 120 ALA CB C 19.0176 . . 449 568 120 ALA N N 124.9412 . . 450 569 121 GLY H H 8.2988 . . 451 569 121 GLY C C 174.2289 . . 452 569 121 GLY CA C 45.2995 . . 453 569 121 GLY N N 108.6428 . . 454 570 122 ALA H H 8.0941 . . 455 570 122 ALA C C 177.6323 . . 456 570 122 ALA CA C 52.8693 . . 457 570 122 ALA CB C 19.2012 . . 458 570 122 ALA N N 124.0997 . . 459 571 123 ASN H H 8.3677 . . 460 571 123 ASN C C 174.4809 . . 461 571 123 ASN CA C 52.9820 . . 462 571 123 ASN CB C 38.8802 . . 463 571 123 ASN N N 117.6618 . . 464 572 124 ALA H H 8.0454 . . 465 572 124 ALA C C 175.3311 . . 466 572 124 ALA CA C 50.7410 . . 467 572 124 ALA CB C 18.0264 . . 468 572 124 ALA N N 125.8777 . . 469 573 125 PRO C C 176.7358 . . 470 573 125 PRO CA C 63.0766 . . 471 573 125 PRO CB C 32.0428 . . 472 573 125 PRO N N 136.1159 . . 473 574 126 GLN H H 8.4885 . . 474 574 126 GLN C C 175.8207 . . 475 574 126 GLN CA C 55.3311 . . 476 574 126 GLN CB C 29.5682 . . 477 574 126 GLN N N 121.4631 . . 478 575 127 LEU H H 8.3947 . . 479 575 127 LEU C C 175.1272 . . 480 575 127 LEU CA C 52.9840 . . 481 575 127 LEU CB C 41.7966 . . 482 575 127 LEU N N 126.0824 . . 483 576 128 PRO C C 175.8826 . . 484 576 128 PRO CA C 62.7138 . . 485 576 128 PRO CB C 32.1366 . . 486 576 128 PRO N N 135.8145 . . 487 577 129 ASN H H 8.6060 . . 488 577 129 ASN C C 174.3729 . . 489 577 129 ASN CA C 51.8073 . . 490 577 129 ASN CB C 37.9835 . . 491 577 129 ASN N N 120.4152 . . 492 578 130 PRO C C 176.4291 . . 493 579 131 GLU H H 8.8164 . . 494 579 131 GLU C C 177.1666 . . 495 579 131 GLU N N 117.3505 . . 496 580 132 VAL H H 7.3024 . . 497 580 132 VAL C C 178.6564 . . 498 580 132 VAL N N 119.0810 . . 499 581 133 ARG H H 7.9557 . . 500 581 133 ARG C C 177.9563 . . 501 581 133 ARG N N 121.9374 . . 502 582 134 PHE H H 8.0196 . . 503 582 134 PHE C C 175.3601 . . 504 582 134 PHE N N 114.9271 . . 505 583 135 GLN H H 7.2148 . . 506 583 135 GLN C C 178.3004 . . 507 583 135 GLN CA C 60.6406 . . 508 583 135 GLN CB C 28.7896 . . 509 583 135 GLN N N 120.9032 . . 510 584 136 GLN H H 9.0059 . . 511 584 136 GLN C C 178.8497 . . 512 584 136 GLN CA C 59.5041 . . 513 584 136 GLN CB C 28.1946 . . 514 584 136 GLN N N 119.0703 . . 515 585 137 GLN H H 9.2135 . . 516 585 137 GLN C C 178.5567 . . 517 585 137 GLN CA C 60.7028 . . 518 585 137 GLN CB C 29.1530 . . 519 585 137 GLN N N 121.7935 . . 520 586 138 LEU H H 8.6970 . . 521 586 138 LEU C C 180.4878 . . 522 586 138 LEU CA C 58.4558 . . 523 586 138 LEU CB C 41.3452 . . 524 586 138 LEU N N 120.1691 . . 525 587 139 GLU H H 7.8628 . . 526 587 139 GLU C C 179.5432 . . 527 587 139 GLU CA C 59.3041 . . 528 587 139 GLU CB C 29.1750 . . 529 587 139 GLU N N 121.8409 . . 530 588 140 GLN H H 8.2077 . . 531 588 140 GLN C C 179.0187 . . 532 588 140 GLN CA C 59.2233 . . 533 588 140 GLN CB C 28.3465 . . 534 588 140 GLN N N 122.2311 . . 535 589 141 LEU H H 8.5979 . . 536 589 141 LEU C C 179.3971 . . 537 589 141 LEU CA C 58.4066 . . 538 589 141 LEU CB C 41.4385 . . 539 589 141 LEU N N 119.4974 . . 540 590 142 ASN H H 7.8073 . . 541 590 142 ASN C C 178.9543 . . 542 590 142 ASN CA C 57.5820 . . 543 590 142 ASN CB C 39.5819 . . 544 590 142 ASN N N 118.8257 . . 545 591 143 ALA H H 8.0402 . . 546 591 143 ALA C C 179.1689 . . 547 591 143 ALA CA C 54.8368 . . 548 591 143 ALA CB C 17.9252 . . 549 591 143 ALA N N 123.4337 . . 550 592 144 MET H H 7.6471 . . 551 592 144 MET C C 175.6059 . . 552 592 144 MET CA C 56.4829 . . 553 592 144 MET CB C 34.4898 . . 554 592 144 MET N N 116.1581 . . 555 593 145 GLY H H 7.7419 . . 556 593 145 GLY C C 173.4183 . . 557 593 145 GLY CA C 45.0042 . . 558 593 145 GLY N N 106.2287 . . 559 594 146 PHE H H 7.8529 . . 560 594 146 PHE C C 176.3856 . . 561 594 146 PHE CA C 58.2259 . . 562 594 146 PHE CB C 36.5699 . . 563 594 146 PHE N N 122.5601 . . 564 595 147 LEU H H 8.2127 . . 565 595 147 LEU C C 177.1698 . . 566 595 147 LEU CA C 55.8530 . . 567 595 147 LEU CB C 41.9338 . . 568 595 147 LEU N N 123.2715 . . 569 596 148 ASN H H 9.1369 . . 570 596 148 ASN C C 173.5230 . . 571 596 148 ASN CA C 52.0912 . . 572 596 148 ASN CB C 37.8338 . . 573 596 148 ASN N N 122.1078 . . 574 597 149 ARG H H 8.3120 . . 575 597 149 ARG C C 177.4991 . . 576 597 149 ARG CA C 60.3444 . . 577 597 149 ARG CB C 30.5061 . . 578 597 149 ARG N N 127.2669 . . 579 598 150 GLU H H 8.1903 . . 580 598 150 GLU C C 179.0436 . . 581 598 150 GLU CA C 59.9564 . . 582 598 150 GLU CB C 28.9612 . . 583 598 150 GLU N N 118.3731 . . 584 599 151 ALA H H 7.5711 . . 585 599 151 ALA C C 180.9667 . . 586 599 151 ALA CA C 54.5302 . . 587 599 151 ALA CB C 17.3340 . . 588 599 151 ALA N N 123.7328 . . 589 600 152 ASN H H 8.5449 . . 590 600 152 ASN C C 177.1809 . . 591 600 152 ASN CA C 55.7255 . . 592 600 152 ASN CB C 38.0156 . . 593 600 152 ASN N N 121.3652 . . 594 601 153 LEU H H 8.3756 . . 595 601 153 LEU C C 178.1703 . . 596 601 153 LEU CA C 58.2917 . . 597 601 153 LEU CB C 41.5719 . . 598 601 153 LEU N N 121.1304 . . 599 602 154 GLN H H 7.8893 . . 600 602 154 GLN C C 179.2505 . . 601 602 154 GLN CA C 58.9301 . . 602 602 154 GLN CB C 27.9264 . . 603 602 154 GLN N N 116.7736 . . 604 603 155 ALA H H 8.0305 . . 605 603 155 ALA C C 178.7865 . . 606 603 155 ALA CA C 55.4492 . . 607 603 155 ALA CB C 17.8054 . . 608 603 155 ALA N N 122.6973 . . 609 604 156 LEU H H 7.9648 . . 610 604 156 LEU C C 179.1024 . . 611 604 156 LEU CA C 57.0878 . . 612 604 156 LEU CB C 41.8012 . . 613 604 156 LEU N N 118.4926 . . 614 605 157 ILE H H 8.5882 . . 615 605 157 ILE C C 180.1479 . . 616 605 157 ILE CA C 65.8908 . . 617 605 157 ILE CB C 38.7018 . . 618 605 157 ILE N N 120.8076 . . 619 606 158 ALA H H 7.6983 . . 620 606 158 ALA C C 179.2115 . . 621 606 158 ALA CA C 54.7455 . . 622 606 158 ALA CB C 18.1050 . . 623 606 158 ALA N N 121.6842 . . 624 607 159 THR H H 7.5984 . . 625 607 159 THR C C 176.2688 . . 626 607 159 THR CA C 60.5078 . . 627 607 159 THR CB C 69.3807 . . 628 607 159 THR N N 105.9275 . . 629 608 160 GLY H H 7.6404 . . 630 608 160 GLY C C 175.6632 . . 631 608 160 GLY CA C 46.9759 . . 632 608 160 GLY N N 113.0863 . . 633 609 161 GLY H H 8.8020 . . 634 609 161 GLY C C 172.1183 . . 635 609 161 GLY CA C 45.3854 . . 636 609 161 GLY N N 106.4648 . . 637 610 162 ASP H H 6.8154 . . 638 610 162 ASP C C 176.8724 . . 639 610 162 ASP CA C 53.5541 . . 640 610 162 ASP CB C 41.5629 . . 641 610 162 ASP N N 120.7251 . . 642 611 163 ILE H H 8.8282 . . 643 611 163 ILE C C 175.5259 . . 644 611 163 ILE CA C 64.7680 . . 645 611 163 ILE CB C 38.5084 . . 646 611 163 ILE N N 130.5873 . . 647 612 164 ASN H H 7.8866 . . 648 612 164 ASN C C 178.2697 . . 649 612 164 ASN CA C 56.7949 . . 650 612 164 ASN CB C 37.6993 . . 651 612 164 ASN N N 120.9525 . . 652 613 165 ALA H H 8.0450 . . 653 613 165 ALA C C 180.6385 . . 654 613 165 ALA CA C 54.2771 . . 655 613 165 ALA CB C 18.2313 . . 656 613 165 ALA N N 124.0175 . . 657 614 166 ALA H H 8.2785 . . 658 614 166 ALA C C 178.5565 . . 659 614 166 ALA CA C 55.6427 . . 660 614 166 ALA CB C 16.9361 . . 661 614 166 ALA N N 123.9076 . . 662 615 167 ILE H H 8.2024 . . 663 615 167 ILE C C 177.1329 . . 664 615 167 ILE CA C 66.3413 . . 665 615 167 ILE CB C 38.3674 . . 666 615 167 ILE N N 119.8531 . . 667 616 168 GLU H H 7.1848 . . 668 616 168 GLU C C 179.7791 . . 669 616 168 GLU CA C 59.7829 . . 670 616 168 GLU CB C 29.4002 . . 671 616 168 GLU N N 117.3717 . . 672 617 169 ARG H H 7.4198 . . 673 617 169 ARG C C 179.4752 . . 674 617 169 ARG CA C 58.6462 . . 675 617 169 ARG CB C 30.0046 . . 676 617 169 ARG N N 118.5604 . . 677 618 170 LEU H H 8.3158 . . 678 618 170 LEU C C 180.0536 . . 679 618 170 LEU CA C 57.5713 . . 680 618 170 LEU CB C 42.5298 . . 681 618 170 LEU N N 122.9714 . . 682 619 171 LEU H H 8.3293 . . 683 619 171 LEU C C 178.9037 . . 684 619 171 LEU CA C 56.4134 . . 685 619 171 LEU CB C 42.4155 . . 686 619 171 LEU N N 119.4652 . . 687 620 172 GLY H H 7.7033 . . 688 620 172 GLY C C 174.2943 . . 689 620 172 GLY CA C 45.6976 . . 690 620 172 GLY N N 107.3254 . . 691 621 173 SER H H 7.8970 . . 692 621 173 SER C C 174.0930 . . 693 621 173 SER CA C 58.4177 . . 694 621 173 SER CB C 63.9482 . . 695 621 173 SER N N 115.3012 . . 696 622 174 GLN H H 8.1647 . . 697 622 174 GLN C C 173.7927 . . 698 622 174 GLN CA C 53.7430 . . 699 622 174 GLN CB C 28.9093 . . 700 622 174 GLN N N 123.2295 . . 701 623 175 PRO C C 176.5594 . . 702 623 175 PRO CA C 63.1967 . . 703 623 175 PRO CB C 31.9680 . . 704 623 175 PRO N N 137.4377 . . 705 624 176 SER H H 8.0959 . . 706 624 176 SER C C 173.0722 . . 707 624 176 SER CA C 58.0708 . . 708 624 176 SER CB C 63.9627 . . 709 624 176 SER N N 116.6104 . . 710 625 177 TRP H H 7.5834 . . 711 625 177 TRP C C 180.7534 . . 712 625 177 TRP CA C 58.3912 . . 713 625 177 TRP CB C 30.0176 . . 714 625 177 TRP N N 128.0657 . . stop_ save_