data_27367 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N chemical shift assignments of Kaiso E535A zinc finger DNA binding domain in complex with its double CpG-methylated DNA consensus binding site ; _BMRB_accession_number 27367 _BMRB_flat_file_name bmr27367.str _Entry_type original _Submission_date 2018-01-19 _Accession_date 2018-01-19 _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 Nikolova Evgenia N. . 2 Stanfield Robyn L. . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 111 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-24 update BMRB 'update entry citation' 2018-03-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18462 'Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA' 27364 'Kaiso-MeCG2 complex' 27366 'KaisoE535Q-MeCG2 complex' 27368 'Kaiso-MeKBS complex' 27369 'KaisoE535Q-MeKBS complex' 27370 'KaisoE535A-MeKBS complex' 27371 'Kaiso-MeKBSsemi complex' 27372 'Kaiso-MeKBShemi complex' stop_ _Original_release_date 2018-01-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; CH---O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG steps by the Zinc Finger Protein Kaiso ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29546986 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nikolova Evgenia N. . 2 Stanfield Robyn L. . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 57 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2109 _Page_last 2120 _Year 2018 _Details . loop_ _Keyword 'DNA methylation' 'epigenetic regulation' 'protein-DNA complex' 'zinc finger transcription factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KaisoE535A-MeCG2 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kaiso E535A' $Kaiso_E535A 'DNA strand 1' $MeCG2_DNA 'DNA strand 2' $MeCG2_DNA 'Zinc ion 1' $entity_ZN 'Zinc ion 2' $entity_ZN 'Zinc ion 3' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'epigenetic silencing' 'transcriptional regulation' stop_ _Database_query_date . _Details 'Kaiso E535A DNA-binding domain in complex with MeCG2 DNA' save_ ######################## # Monomeric polymers # ######################## save_Kaiso_E535A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Kaiso_E535A _Molecular_mass . _Mol_thiol_state 'free and other bound' loop_ _Biological_function 'DNA-binding protein' 'transcriptional regulator' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MANKRMKVKHDDHYELIVDG RVYYICIVCKRSYVCLTSLR RHFNIHSWEKKYPCRYCEKV FPLAAYRTKHEIHHTGERRY QCLACGKSFINYQFMSSHIK SVHSQDPSGDSKLYRLHPCR SLQIRQYAYLSDRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 471 MET 2 472 ALA 3 473 ASN 4 474 LYS 5 475 ARG 6 476 MET 7 477 LYS 8 478 VAL 9 479 LYS 10 480 HIS 11 481 ASP 12 482 ASP 13 483 HIS 14 484 TYR 15 485 GLU 16 486 LEU 17 487 ILE 18 488 VAL 19 489 ASP 20 490 GLY 21 491 ARG 22 492 VAL 23 493 TYR 24 494 TYR 25 495 ILE 26 496 CYS 27 497 ILE 28 498 VAL 29 499 CYS 30 500 LYS 31 501 ARG 32 502 SER 33 503 TYR 34 504 VAL 35 505 CYS 36 506 LEU 37 507 THR 38 508 SER 39 509 LEU 40 510 ARG 41 511 ARG 42 512 HIS 43 513 PHE 44 514 ASN 45 515 ILE 46 516 HIS 47 517 SER 48 518 TRP 49 519 GLU 50 520 LYS 51 521 LYS 52 522 TYR 53 523 PRO 54 524 CYS 55 525 ARG 56 526 TYR 57 527 CYS 58 528 GLU 59 529 LYS 60 530 VAL 61 531 PHE 62 532 PRO 63 533 LEU 64 534 ALA 65 535 ALA 66 536 TYR 67 537 ARG 68 538 THR 69 539 LYS 70 540 HIS 71 541 GLU 72 542 ILE 73 543 HIS 74 544 HIS 75 545 THR 76 546 GLY 77 547 GLU 78 548 ARG 79 549 ARG 80 550 TYR 81 551 GLN 82 552 CYS 83 553 LEU 84 554 ALA 85 555 CYS 86 556 GLY 87 557 LYS 88 558 SER 89 559 PHE 90 560 ILE 91 561 ASN 92 562 TYR 93 563 GLN 94 564 PHE 95 565 MET 96 566 SER 97 567 SER 98 568 HIS 99 569 ILE 100 570 LYS 101 571 SER 102 572 VAL 103 573 HIS 104 574 SER 105 575 GLN 106 576 ASP 107 577 PRO 108 578 SER 109 579 GLY 110 580 ASP 111 581 SER 112 582 LYS 113 583 LEU 114 584 TYR 115 585 ARG 116 586 LEU 117 587 HIS 118 588 PRO 119 589 CYS 120 590 ARG 121 591 SER 122 592 LEU 123 593 GLN 124 594 ILE 125 595 ARG 126 596 GLN 127 597 TYR 128 598 ALA 129 599 TYR 130 600 LEU 131 601 SER 132 602 ASP 133 603 ARG 134 604 SER 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 SP Q86T24 Kaiso . . . . . stop_ save_ save_MeCG2_DNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common MeCG2_DNA _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'epigenetic regulation of gene expression' stop_ _Details . _Residue_count 18 _Mol_residue_sequence ; TGCTTCTXGXGAGAAGCA ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DG 3 DC 4 DT 5 DT 6 DC 7 DT 8 5CM 9 DG 10 5CM 11 DG 12 DA 13 DG 14 DA 15 DA 16 DG 17 DC 18 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_5CM _Saveframe_category polymer_residue _Mol_type 'DNA LINKING' _Name_common 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE _BMRB_code 5CM _PDB_code 5CM _Standard_residue_derivative . _Molecular_mass 321.224 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? O2 O2 O . 0 . ? N4 N4 N . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? O3' O3' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? OP1 OP1 O . 0 . ? OP2 OP2 O . 0 . ? OP3 OP3 O . 0 . ? H5A1 H5A1 H . 0 . ? H5A2 H5A2 H . 0 . ? H5A3 H5A3 H . 0 . ? H6 H6 H . 0 . ? HN41 HN41 H . 0 . ? HN42 HN42 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H2'' H2'' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? HO3' HO3' H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? SING N1 C6 ? ? SING N1 C1' ? ? SING C2 N3 ? ? DOUB C2 O2 ? ? DOUB N3 C4 ? ? SING C4 C5 ? ? SING C4 N4 ? ? SING C5 C5A ? ? DOUB C5 C6 ? ? SING C5A H5A1 ? ? SING C5A H5A2 ? ? SING C5A H5A3 ? ? SING C6 H6 ? ? SING N4 HN41 ? ? SING N4 HN42 ? ? SING C1' C2' ? ? SING C1' O4' ? ? SING C1' H1' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING C2' H2'' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O3' HO3' ? ? SING C5' O5' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING O5' P ? ? DOUB P OP1 ? ? SING P OP2 ? ? SING P OP3 ? ? SING OP2 HOP2 ? ? SING OP3 HOP3 ? ? stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Kaiso_E535A Human 9606 Eukaryota Metazoa Homo sapiens Zbtb33 $MeCG2_DNA 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 _Vector_name $Kaiso_E535A 'recombinant technology' . . . 'BL21(DE3) [DNAY]' pET21d $MeCG2_DNA 'chemical synthesis' . . . . . 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 $Kaiso_E535A 0.2 mM '[U-99% 15N]' $MeCG2_DNA 0.2 mM 'natural abundance' TRIS 10 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '10 mM Tris pH 7.0, 1 mM TCEP' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . 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 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 'chemical shifts assignment by comparison with 1H-15N HSQC spectra of assigned Kaiso-DNA complexes' loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 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 'Kaiso E535A' _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 1 475 5 ARG H H 8.445 . 1 2 475 5 ARG N N 121.850 . 1 3 476 6 MET H H 8.356 . 1 4 476 6 MET N N 122.189 . 1 5 477 7 LYS H H 8.365 . 1 6 477 7 LYS N N 123.799 . 1 7 478 8 VAL H H 8.211 . 1 8 478 8 VAL N N 122.349 . 1 9 479 9 LYS H H 8.356 . 1 10 479 9 LYS N N 126.177 . 1 11 480 10 HIS H H 8.404 . 1 12 480 10 HIS N N 120.583 . 1 13 481 11 ASP H H 8.499 . 1 14 481 11 ASP N N 122.202 . 1 15 484 14 TYR H H 8.394 . 1 16 484 14 TYR N N 116.338 . 1 17 485 15 GLU H H 8.769 . 1 18 485 15 GLU N N 120.853 . 1 19 486 16 LEU H H 8.841 . 1 20 486 16 LEU N N 125.762 . 1 21 487 17 ILE H H 8.441 . 1 22 487 17 ILE N N 125.190 . 1 23 488 18 VAL H H 9.347 . 1 24 488 18 VAL N N 129.267 . 1 25 489 19 ASP H H 9.037 . 1 26 489 19 ASP N N 128.858 . 1 27 490 20 GLY H H 8.100 . 1 28 490 20 GLY N N 102.444 . 1 29 491 21 ARG H H 7.836 . 1 30 491 21 ARG N N 122.646 . 1 31 492 22 VAL H H 8.051 . 1 32 492 22 VAL N N 123.552 . 1 33 493 23 TYR H H 8.868 . 1 34 493 23 TYR N N 124.728 . 1 35 494 24 TYR H H 9.154 . 1 36 494 24 TYR N N 120.495 . 1 37 495 25 ILE H H 9.019 . 1 38 495 25 ILE N N 124.864 . 1 39 496 26 CYS H H 8.958 . 1 40 496 26 CYS N N 127.649 . 1 41 497 27 ILE H H 8.128 . 1 42 497 27 ILE N N 129.389 . 1 43 498 28 VAL H H 8.880 . 1 44 498 28 VAL N N 123.728 . 1 45 499 29 CYS H H 8.236 . 1 46 499 29 CYS N N 117.358 . 1 47 500 30 LYS H H 8.056 . 1 48 500 30 LYS N N 117.782 . 1 49 501 31 ARG H H 7.917 . 1 50 501 31 ARG N N 121.317 . 1 51 502 32 SER H H 7.482 . 1 52 502 32 SER N N 113.440 . 1 53 503 33 TYR H H 8.924 . 1 54 503 33 TYR N N 121.948 . 1 55 504 34 VAL H H 9.994 . 1 56 504 34 VAL N N 119.587 . 1 57 505 35 CYS H H 7.602 . 1 58 505 35 CYS N N 115.446 . 1 59 506 36 LEU H H 8.568 . 1 60 506 36 LEU N N 129.994 . 1 61 507 37 THR H H 8.222 . 1 62 507 37 THR N N 109.118 . 1 63 509 39 LEU H H 7.054 . 1 64 509 39 LEU N N 127.816 . 1 65 511 41 ARG H H 7.768 . 1 66 511 41 ARG N N 120.464 . 1 67 512 42 HIS H H 7.604 . 1 68 512 42 HIS N N 116.811 . 1 69 513 43 PHE H H 9.155 . 1 70 513 43 PHE N N 118.680 . 1 71 514 44 ASN H H 6.757 . 1 72 514 44 ASN N N 113.859 . 1 73 515 45 ILE H H 7.782 . 1 74 515 45 ILE N N 113.883 . 1 75 516 46 HIS H H 7.147 . 1 76 516 46 HIS N N 113.835 . 1 77 517 47 SER H H 7.658 . 1 78 517 47 SER N N 112.392 . 1 79 518 48 TRP H H 9.190 . 1 80 518 48 TRP N N 122.783 . 1 81 519 49 GLU H H 7.724 . 1 82 519 49 GLU N N 119.620 . 1 83 520 50 LYS H H 8.996 . 1 84 520 50 LYS N N 118.303 . 1 85 522 52 TYR H H 7.671 . 1 86 522 52 TYR N N 117.366 . 1 87 524 54 CYS H H 9.063 . 1 88 524 54 CYS N N 126.437 . 1 89 525 55 ARG H H 9.550 . 1 90 525 55 ARG N N 130.126 . 1 91 526 56 TYR H H 10.321 . 1 92 526 56 TYR N N 122.446 . 1 93 527 57 CYS H H 8.298 . 1 94 527 57 CYS N N 122.586 . 1 95 528 58 GLU H H 8.705 . 1 96 528 58 GLU N N 115.908 . 1 97 529 59 LYS H H 8.632 . 1 98 529 59 LYS N N 124.964 . 1 99 530 60 VAL H H 7.930 . 1 100 530 60 VAL N N 119.096 . 1 101 531 61 PHE H H 7.962 . 1 102 531 61 PHE N N 122.191 . 1 103 533 63 LEU H H 6.366 . 1 104 533 63 LEU N N 120.852 . 1 105 534 64 ALA H H 7.962 . 1 106 534 64 ALA N N 128.343 . 1 107 535 65 ALA H H 8.962 . 1 108 535 65 ALA N N 116.748 . 1 109 536 66 TYR H H 6.777 . 1 110 536 66 TYR N N 116.771 . 1 111 537 67 ARG H H 6.937 . 1 112 537 67 ARG N N 120.933 . 1 113 539 69 LYS H H 7.856 . 1 114 539 69 LYS N N 117.270 . 1 115 540 70 HIS H H 7.242 . 1 116 540 70 HIS N N 118.910 . 1 117 541 71 GLU H H 9.259 . 1 118 541 71 GLU N N 121.645 . 1 119 543 73 HIS H H 7.555 . 1 120 543 73 HIS N N 119.042 . 1 121 544 74 HIS H H 7.394 . 1 122 544 74 HIS N N 115.865 . 1 123 545 75 THR H H 7.800 . 1 124 545 75 THR N N 109.014 . 1 125 546 76 GLY H H 8.368 . 1 126 546 76 GLY N N 110.579 . 1 127 547 77 GLU H H 7.174 . 1 128 547 77 GLU N N 121.977 . 1 129 548 78 ARG H H 8.666 . 1 130 548 78 ARG N N 128.802 . 1 131 549 79 ARG H H 9.077 . 1 132 549 79 ARG N N 121.765 . 1 133 550 80 TYR H H 8.186 . 1 134 550 80 TYR N N 116.394 . 1 135 551 81 GLN H H 9.533 . 1 136 551 81 GLN N N 124.946 . 1 137 552 82 CYS H H 9.285 . 1 138 552 82 CYS N N 128.563 . 1 139 553 83 LEU H H 8.665 . 1 140 553 83 LEU N N 130.450 . 1 141 554 84 ALA H H 8.759 . 1 142 554 84 ALA N N 124.775 . 1 143 555 85 CYS H H 8.130 . 1 144 555 85 CYS N N 113.750 . 1 145 556 86 GLY H H 7.944 . 1 146 556 86 GLY N N 113.805 . 1 147 557 87 LYS H H 7.924 . 1 148 557 87 LYS N N 123.209 . 1 149 559 89 PHE H H 9.439 . 1 150 559 89 PHE N N 117.828 . 1 151 560 90 ILE H H 9.223 . 1 152 560 90 ILE N N 118.211 . 1 153 561 91 ASN H H 7.257 . 1 154 561 91 ASN N N 114.424 . 1 155 563 93 GLN H H 8.473 . 1 156 563 93 GLN N N 119.442 . 1 157 564 94 PHE H H 8.745 . 1 158 564 94 PHE N N 118.755 . 1 159 565 95 MET H H 7.071 . 1 160 565 95 MET N N 120.571 . 1 161 566 96 SER H H 8.705 . 1 162 566 96 SER N N 115.908 . 1 163 568 98 HIS H H 7.458 . 1 164 568 98 HIS N N 120.750 . 1 165 569 99 ILE H H 8.493 . 1 166 569 99 ILE N N 120.892 . 1 167 570 100 LYS H H 8.269 . 1 168 570 100 LYS N N 118.461 . 1 169 571 101 SER H H 7.863 . 1 170 571 101 SER N N 112.222 . 1 171 573 103 HIS H H 7.088 . 1 172 573 103 HIS N N 114.468 . 1 173 574 104 SER H H 7.345 . 1 174 574 104 SER N N 113.196 . 1 175 575 105 GLN H H 7.654 . 1 176 575 105 GLN N N 117.821 . 1 177 578 108 SER H H 8.285 . 1 178 578 108 SER N N 115.083 . 1 179 579 109 GLY H H 8.407 . 1 180 579 109 GLY N N 111.063 . 1 181 580 110 ASP H H 8.304 . 1 182 580 110 ASP N N 121.274 . 1 183 581 111 SER H H 7.895 . 1 184 581 111 SER N N 115.170 . 1 185 582 112 LYS H H 8.304 . 1 186 582 112 LYS N N 121.274 . 1 187 584 114 TYR H H 7.456 . 1 188 584 114 TYR N N 115.206 . 1 189 585 115 ARG H H 9.033 . 1 190 585 115 ARG N N 120.095 . 1 191 586 116 LEU H H 8.555 . 1 192 586 116 LEU N N 128.995 . 1 193 587 117 HIS H H 8.980 . 1 194 587 117 HIS N N 126.643 . 1 195 589 119 CYS H H 9.385 . 1 196 589 119 CYS N N 124.097 . 1 197 590 120 ARG H H 11.003 . 1 198 590 120 ARG N N 130.779 . 1 199 591 121 SER H H 9.387 . 1 200 591 121 SER N N 116.833 . 1 201 592 122 LEU H H 7.252 . 1 202 592 122 LEU N N 120.973 . 1 203 594 124 ILE H H 7.426 . 1 204 594 124 ILE N N 117.857 . 1 205 595 125 ARG H H 8.880 . 1 206 595 125 ARG N N 123.728 . 1 207 596 126 GLN H H 8.371 . 1 208 596 126 GLN N N 125.869 . 1 209 597 127 TYR H H 7.649 . 1 210 597 127 TYR N N 122.441 . 1 211 598 128 ALA H H 9.576 . 1 212 598 128 ALA N N 129.288 . 1 213 599 129 TYR H H 8.285 . 1 214 599 129 TYR N N 115.083 . 1 215 601 131 SER H H 7.778 . 1 216 601 131 SER N N 114.137 . 1 217 602 132 ASP H H 8.132 . 1 218 602 132 ASP N N 122.435 . 1 219 603 133 ARG H H 8.150 . 1 220 603 133 ARG N N 121.400 . 1 221 604 134 SER H H 7.944 . 1 222 604 134 SER N N 122.725 . 1 stop_ save_