data_15532 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the Wilms Tumor Suppressor Protein Zinc Finger Domain Bound to DNA ; _BMRB_accession_number 15532 _BMRB_flat_file_name bmr15532.str _Entry_type original _Submission_date 2007-10-18 _Accession_date 2007-10-18 _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 Stoll Raphael . . 2 Lee Brian M. . 3 Debler Erik W. . 4 Laity John H. . 5 Wilson Ian A. . 6 Dyson Helen Jane . 7 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" 110 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-26 update BMRB 'update entity name' 2008-02-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15533 wt1-zf14-14mer stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title "Structure of the Wilms' Tumor Suppressor Protein Zinc Finger Domain Bound to DNA" _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17716689 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stoll Raphael . . 2 Lee Brian M. . 3 Debler Erik W. . 4 Laity John H. . 5 Wilson Ian A. . 6 Dyson Helen Jane . 7 Wright Peter E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 372 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1227 _Page_last 1245 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name wt1-17mer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label wt1-17mer $entity_1 zn1 $ZN zn2 $ZN zn3 $ZN zn4 $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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common wt1-17mer _Molecular_mass 14494.849 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; ASEKRPFMCAYPGCNKRYFK LSHLQMHSRKHTGEKPYQCD FKDCERRFSRSDQLKRHQRR HTGVKPFQCKTCQRKFSRSD HLKTHTRTHTGEKPFSCRWP SCQKKFARSDELVRHHNMH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 317 ALA 2 318 SER 3 319 GLU 4 320 LYS 5 321 ARG 6 322 PRO 7 323 PHE 8 324 MET 9 325 CYS 10 326 ALA 11 327 TYR 12 328 PRO 13 329 GLY 14 330 CYS 15 331 ASN 16 332 LYS 17 333 ARG 18 334 TYR 19 335 PHE 20 336 LYS 21 337 LEU 22 338 SER 23 339 HIS 24 340 LEU 25 341 GLN 26 342 MET 27 343 HIS 28 344 SER 29 345 ARG 30 346 LYS 31 347 HIS 32 348 THR 33 349 GLY 34 350 GLU 35 351 LYS 36 352 PRO 37 353 TYR 38 354 GLN 39 355 CYS 40 356 ASP 41 357 PHE 42 358 LYS 43 359 ASP 44 360 CYS 45 361 GLU 46 362 ARG 47 363 ARG 48 364 PHE 49 365 SER 50 366 ARG 51 367 SER 52 368 ASP 53 369 GLN 54 370 LEU 55 371 LYS 56 372 ARG 57 373 HIS 58 374 GLN 59 375 ARG 60 376 ARG 61 377 HIS 62 378 THR 63 379 GLY 64 380 VAL 65 381 LYS 66 382 PRO 67 383 PHE 68 384 GLN 69 385 CYS 70 386 LYS 71 387 THR 72 388 CYS 73 389 GLN 74 390 ARG 75 391 LYS 76 392 PHE 77 393 SER 78 394 ARG 79 395 SER 80 396 ASP 81 397 HIS 82 398 LEU 83 399 LYS 84 400 THR 85 401 HIS 86 402 THR 87 403 ARG 88 404 THR 89 405 HIS 90 406 THR 91 407 GLY 92 408 GLU 93 409 LYS 94 410 PRO 95 411 PHE 96 412 SER 97 413 CYS 98 414 ARG 99 415 TRP 100 416 PRO 101 417 SER 102 418 CYS 103 419 GLN 104 420 LYS 105 421 LYS 106 422 PHE 107 423 ALA 108 424 ARG 109 425 SER 110 426 ASP 111 427 GLU 112 428 LEU 113 429 VAL 114 430 ARG 115 431 HIS 116 432 HIS 117 433 ASN 118 434 MET 119 435 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 15533 wt1-zf14 100.00 119 100.00 100.00 3.09e-80 BMRB 4707 WT1 100.00 119 100.00 100.00 3.09e-80 BMRB 4708 WT1 100.00 119 100.00 100.00 3.09e-80 BMRB 4709 WT1 102.52 122 97.54 97.54 2.04e-78 BMRB 4710 WT1 102.52 122 97.54 97.54 2.04e-78 PDB 2JP9 "Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna" 100.00 119 100.00 100.00 3.09e-80 PDB 2JPA "Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna" 100.00 119 100.00 100.00 3.09e-80 PDB 2PRT "Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna" 100.00 119 100.00 100.00 3.09e-80 DBJ BAA11522 "WT1 [Xenopus laevis]" 100.00 407 99.16 100.00 9.69e-79 DBJ BAA28147 "unnamed protein product [Sus scrofa]" 101.68 449 97.52 97.52 8.62e-77 DBJ BAA94793 "WT1(-KTS) [Gallus gallus]" 99.16 414 99.15 100.00 4.36e-78 DBJ BAF84425 "unnamed protein product [Homo sapiens]" 99.16 446 100.00 100.00 8.28e-79 EMBL CAA35956 "Krueppel-like zinc-finger protein [Homo sapiens]" 101.68 575 97.52 97.52 4.35e-76 EMBL CAA43819 "unnamed protein product [Homo sapiens]" 99.16 446 99.15 99.15 3.28e-78 EMBL CDG23662 "Wt1 protein [Capreolus capreolus]" 101.68 450 97.52 97.52 1.03e-76 GB AAA36810 "Wilms' tumor protein, partial [Homo sapiens]" 100.00 345 98.32 98.32 8.88e-78 GB AAA61299 "Wilms' tumor assocated protein [Homo sapiens]" 101.68 449 97.52 97.52 1.00e-76 GB AAB33443 "WT1 [Homo sapiens]" 100.00 168 98.32 98.32 8.97e-79 GB AAB53152 "WT1 [Xenopus laevis]" 100.00 409 98.32 100.00 1.27e-78 GB AAH32861 "WT1 protein [Homo sapiens]" 100.00 302 99.16 99.16 1.21e-79 PRF 1604420A "Zn finger protein" 101.68 575 97.52 97.52 4.35e-76 REF NP_000369 "Wilms tumor protein isoform A [Homo sapiens]" 99.16 497 100.00 100.00 1.71e-78 REF NP_001001264 "Wilms tumor protein homolog [Sus scrofa]" 101.68 449 97.52 97.52 8.62e-77 REF NP_001079057 "Wilms tumor protein homolog A [Xenopus laevis]" 100.00 409 98.32 100.00 1.27e-78 REF NP_001079336 "Wilms tumor protein homolog B [Xenopus laevis]" 100.00 407 99.16 100.00 9.69e-79 REF NP_001135625 "Wilms tumor protein homolog [Xenopus (Silurana) tropicalis]" 100.00 413 98.32 100.00 1.41e-78 SP B5DE03 "RecName: Full=Wilms tumor protein homolog" 100.00 413 98.32 100.00 1.41e-78 SP O62651 "RecName: Full=Wilms tumor protein homolog" 101.68 449 97.52 97.52 8.62e-77 SP P19544 "RecName: Full=Wilms tumor protein; AltName: Full=WT33" 101.68 449 97.52 97.52 1.00e-76 SP P79958 "RecName: Full=Wilms tumor protein homolog B; Short=XWT1b; Short=XeWT1" 100.00 407 99.16 100.00 9.69e-79 TPG DAA21902 "TPA: Wilms tumor 1-like [Bos taurus]" 99.16 877 100.00 100.00 3.65e-76 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 03:50:37 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $entity_1 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 $entity_1 'recombinant technology' . Escherichia coli . pET21d 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 $entity_1 0.6 mM '[U-100% 13C; U-100% 15N]' Tris/HCl 10 mM . KCl 20 mM . ZnSO4 5 uM . NaN3 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_IPAP_2 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP _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 6.7 . pH pressure 1 . atm temperature 310 . 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 IPAP 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 wt1-17mer _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 1 319 3 GLU H H 8.583 0.03 1 2 319 3 GLU N N 123.407 0.1 1 3 320 4 LYS H H 8.378 0.03 1 4 320 4 LYS N N 123.051 0.1 1 5 321 5 ARG H H 8.297 0.03 1 6 321 5 ARG N N 122.300 0.1 1 7 323 7 PHE H H 8.026 0.03 1 8 323 7 PHE N N 117.825 0.1 1 9 324 8 MET H H 8.710 0.03 1 10 324 8 MET N N 124.198 0.1 1 11 325 9 CYS H H 8.749 0.03 1 12 325 9 CYS N N 127.362 0.1 1 13 326 10 ALA H H 8.807 0.03 1 14 326 10 ALA N N 132.015 0.1 1 15 327 11 TYR H H 9.112 0.03 1 16 327 11 TYR N N 127.978 0.1 1 17 329 13 GLY H H 8.799 0.03 1 18 329 13 GLY N N 112.685 0.1 1 19 330 14 CYS H H 8.096 0.03 1 20 330 14 CYS N N 123.719 0.1 1 21 331 15 ASN H H 8.692 0.03 1 22 331 15 ASN N N 116.286 0.1 1 23 332 16 LYS H H 8.045 0.03 1 24 332 16 LYS N N 121.468 0.1 1 25 333 17 ARG H H 7.745 0.03 1 26 333 17 ARG N N 117.692 0.1 1 27 334 18 TYR H H 8.780 0.03 1 28 334 18 TYR N N 117.781 0.1 1 29 335 19 PHE H H 9.937 0.03 1 30 335 19 PHE N N 118.840 0.1 1 31 336 20 LYS H H 7.273 0.03 1 32 336 20 LYS N N 115.453 0.1 1 33 337 21 LEU H H 8.628 0.03 1 34 337 21 LEU N N 128.015 0.1 1 35 338 22 SER H H 8.334 0.03 1 36 338 22 SER N N 113.076 0.1 1 37 339 23 HIS H H 6.799 0.03 1 38 339 23 HIS N N 121.228 0.1 1 39 340 24 LEU H H 7.185 0.03 1 40 340 24 LEU N N 121.867 0.1 1 41 341 25 GLN H H 8.765 0.03 1 42 341 25 GLN N N 120.082 0.1 1 43 342 26 MET H H 7.757 0.03 1 44 342 26 MET N N 118.154 0.1 1 45 343 27 HIS H H 7.705 0.03 1 46 343 27 HIS N N 120.900 0.1 1 47 344 28 SER H H 8.761 0.03 1 48 344 28 SER N N 113.519 0.1 1 49 345 29 ARG H H 7.292 0.03 1 50 345 29 ARG N N 120.285 0.1 1 51 346 30 LYS H H 8.050 0.03 1 52 346 30 LYS N N 119.711 0.1 1 53 347 31 HIS H H 7.106 0.03 1 54 347 31 HIS N N 114.569 0.1 1 55 348 32 THR H H 7.875 0.03 1 56 348 32 THR N N 108.380 0.1 1 57 349 33 GLY H H 7.900 0.03 1 58 349 33 GLY N N 109.530 0.1 1 59 350 34 GLU H H 7.801 0.03 1 60 350 34 GLU N N 120.330 0.1 1 61 351 35 LYS H H 8.486 0.03 1 62 351 35 LYS N N 124.549 0.1 1 63 353 37 TYR H H 7.761 0.03 1 64 353 37 TYR N N 116.813 0.1 1 65 354 38 GLN H H 8.808 0.03 1 66 354 38 GLN N N 125.170 0.1 1 67 355 39 CYS H H 8.916 0.03 1 68 355 39 CYS N N 128.679 0.1 1 69 356 40 ASP H H 8.534 0.03 1 70 356 40 ASP N N 127.405 0.1 1 71 357 41 PHE H H 8.968 0.03 1 72 357 41 PHE N N 126.115 0.1 1 73 358 42 LYS H H 7.859 0.03 1 74 358 42 LYS N N 127.184 0.1 1 75 359 43 ASP H H 8.750 0.03 1 76 359 43 ASP N N 119.850 0.1 1 77 360 44 CYS H H 8.276 0.03 1 78 360 44 CYS N N 122.937 0.1 1 79 361 45 GLU H H 8.535 0.03 1 80 361 45 GLU N N 117.300 0.1 1 81 362 46 ARG H H 8.295 0.03 1 82 362 46 ARG N N 122.476 0.1 1 83 363 47 ARG H H 7.821 0.03 1 84 363 47 ARG N N 118.925 0.1 1 85 364 48 PHE H H 8.898 0.03 1 86 364 48 PHE N N 116.106 0.1 1 87 365 49 SER H H 9.317 0.03 1 88 365 49 SER N N 116.374 0.1 1 89 366 50 ARG H H 7.224 0.03 1 90 366 50 ARG N N 116.989 0.1 1 91 367 51 SER H H 8.701 0.03 1 92 367 51 SER N N 120.241 0.1 1 93 368 52 ASP H H 8.739 0.03 1 94 368 52 ASP N N 120.994 0.1 1 95 369 53 GLN H H 6.950 0.03 1 96 369 53 GLN N N 121.297 0.1 1 97 370 54 LEU H H 6.931 0.03 1 98 370 54 LEU N N 121.427 0.1 1 99 371 55 LYS H H 8.095 0.03 1 100 371 55 LYS N N 119.232 0.1 1 101 372 56 ARG H H 7.859 0.03 1 102 372 56 ARG N N 119.626 0.1 1 103 373 57 HIS H H 7.646 0.03 1 104 373 57 HIS N N 119.933 0.1 1 105 374 58 GLN H H 8.564 0.03 1 106 374 58 GLN N N 116.200 0.1 1 107 375 59 ARG H H 7.381 0.03 1 108 375 59 ARG N N 117.693 0.1 1 109 376 60 ARG H H 8.047 0.03 1 110 376 60 ARG N N 120.064 0.1 1 111 377 61 HIS H H 7.117 0.03 1 112 377 61 HIS N N 114.755 0.1 1 113 378 62 THR H H 7.945 0.03 1 114 378 62 THR N N 107.330 0.1 1 115 379 63 GLY H H 7.917 0.03 1 116 379 63 GLY N N 109.919 0.1 1 117 380 64 VAL H H 7.332 0.03 1 118 380 64 VAL N N 120.153 0.1 1 119 381 65 LYS H H 8.271 0.03 1 120 381 65 LYS N N 127.279 0.1 1 121 383 67 PHE H H 7.685 0.03 1 122 383 67 PHE N N 115.798 0.1 1 123 384 68 GLN H H 9.033 0.03 1 124 384 68 GLN N N 124.285 0.1 1 125 385 69 CYS H H 9.228 0.03 1 126 385 69 CYS N N 128.635 0.1 1 127 386 70 LYS H H 9.194 0.03 1 128 386 70 LYS N N 131.237 0.1 1 129 387 71 THR H H 8.887 0.03 1 130 387 71 THR N N 118.615 0.1 1 131 388 72 CYS H H 8.299 0.03 1 132 388 72 CYS N N 119.281 0.1 1 133 389 73 GLN H H 7.845 0.03 1 134 389 73 GLN N N 115.407 0.1 1 135 390 74 ARG H H 8.388 0.03 1 136 390 74 ARG N N 124.632 0.1 1 137 391 75 LYS H H 8.107 0.03 1 138 391 75 LYS N N 123.062 0.1 1 139 392 76 PHE H H 9.112 0.03 1 140 392 76 PHE N N 118.222 0.1 1 141 393 77 SER H H 9.703 0.03 1 142 393 77 SER N N 117.117 0.1 1 143 394 78 ARG H H 7.951 0.03 1 144 394 78 ARG N N 119.671 0.1 1 145 395 79 SER H H 8.220 0.03 1 146 395 79 SER N N 120.022 0.1 1 147 396 80 ASP H H 8.671 0.03 1 148 396 80 ASP N N 123.138 0.1 1 149 397 81 HIS H H 6.970 0.03 1 150 397 81 HIS N N 119.628 0.1 1 151 398 82 LEU H H 7.430 0.03 1 152 398 82 LEU N N 121.120 0.1 1 153 399 83 LYS H H 7.909 0.03 1 154 399 83 LYS N N 120.460 0.1 1 155 400 84 THR H H 7.898 0.03 1 156 400 84 THR N N 109.529 0.1 1 157 401 85 HIS H H 8.514 0.03 1 158 401 85 HIS N N 125.519 0.1 1 159 402 86 THR H H 8.701 0.03 1 160 402 86 THR N N 116.556 0.1 1 161 403 87 ARG H H 7.420 0.03 1 162 403 87 ARG N N 119.761 0.1 1 163 404 88 THR H H 8.172 0.03 1 164 404 88 THR N N 113.300 0.1 1 165 405 89 HIS H H 7.359 0.03 1 166 405 89 HIS N N 117.512 0.1 1 167 406 90 THR H H 7.948 0.03 1 168 406 90 THR N N 107.897 0.1 1 169 407 91 GLY H H 8.022 0.03 1 170 407 91 GLY N N 109.824 0.1 1 171 408 92 GLU H H 7.615 0.03 1 172 408 92 GLU N N 121.559 0.1 1 173 409 93 LYS H H 8.339 0.03 1 174 409 93 LYS N N 126.132 0.1 1 175 411 95 PHE H H 7.773 0.03 1 176 411 95 PHE N N 116.808 0.1 1 177 412 96 SER H H 8.672 0.03 1 178 412 96 SER N N 119.320 0.1 1 179 413 97 CYS H H 8.564 0.03 1 180 413 97 CYS N N 126.087 0.1 1 181 415 99 TRP H H 9.755 0.03 1 182 415 99 TRP HE1 H 9.944 0.03 1 183 415 99 TRP N N 130.042 0.1 1 184 415 99 TRP NE1 N 128.126 0.1 1 185 417 101 SER H H 8.418 0.03 1 186 417 101 SER N N 112.911 0.1 1 187 418 102 CYS H H 8.246 0.03 1 188 418 102 CYS N N 125.735 0.1 1 189 420 104 LYS H H 8.333 0.03 1 190 420 104 LYS N N 122.595 0.1 1 191 421 105 LYS H H 7.410 0.03 1 192 421 105 LYS N N 119.231 0.1 1 193 422 106 PHE H H 8.835 0.03 1 194 422 106 PHE N N 115.931 0.1 1 195 423 107 ALA H H 9.312 0.03 1 196 423 107 ALA N N 123.802 0.1 1 197 424 108 ARG H H 7.963 0.03 1 198 424 108 ARG N N 113.829 0.1 1 199 425 109 SER H H 8.422 0.03 1 200 425 109 SER N N 120.636 0.1 1 201 426 110 ASP H H 8.594 0.03 1 202 426 110 ASP N N 118.791 0.1 1 203 427 111 GLU H H 6.981 0.03 1 204 427 111 GLU N N 120.900 0.1 1 205 428 112 LEU H H 6.735 0.03 1 206 428 112 LEU N N 121.033 0.1 1 207 429 113 VAL H H 7.587 0.03 1 208 429 113 VAL N N 119.407 0.1 1 209 430 114 ARG H H 7.252 0.03 1 210 430 114 ARG N N 117.607 0.1 1 211 431 115 HIS H H 7.476 0.03 1 212 431 115 HIS N N 117.475 0.1 1 213 432 116 HIS H H 9.074 0.03 1 214 432 116 HIS N N 119.447 0.1 1 215 433 117 ASN H H 7.679 0.03 1 216 433 117 ASN N N 115.754 0.1 1 217 434 118 MET H H 7.847 0.03 1 218 434 118 MET N N 118.377 0.1 1 219 435 119 HIS H H 6.901 0.03 1 220 435 119 HIS N N 124.724 0.1 1 stop_ save_