data_26779 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Cdc25B complete catalytic domain: backbone assignments (1H, 13CA, 13CB, 13C', 15N), 15N relaxation times (T1 and T2), heteronuclear NOEs and residual dipolar couplings (NH) ; _BMRB_accession_number 26779 _BMRB_flat_file_name bmr26779.str _Entry_type original _Submission_date 2016-04-14 _Accession_date 2016-04-14 _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 Sayegh Raphael RS . 2 Tamaki Fabio K. . 3 Marana Sandro R. . 4 Salinas Roberto K. . 5 Arantes Guilherme M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 143 "13C chemical shifts" 467 "15N chemical shifts" 143 "T1 relaxation values" 137 "T2 relaxation values" 86 "residual dipolar couplings" 144 "order parameters" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-08-01 original author 'original release' stop_ _Original_release_date 2016-08-01 save_ ############################# # Citation for this entry # ############################# save_Paper _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational flexibility of the complete catalytic domain of Cdc25B phosphatases ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27410025 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sayegh Raphael RS . 2 Tamaki Fabio K. . 3 Marana Sandro R. . 4 Salinas Roberto K. . 5 Arantes Guilherme M. . stop_ _Journal_abbreviation Proteins _Journal_volume 84 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1567 _Page_last 1575 _Year 2016 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_PhD_thesis _Saveframe_category citation _Citation_full . _Citation_title ; Conformational Flexibility of the Catalytic Domain of Cdc25B Phosphatase ; _Citation_status na _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sayegh Raphael RS . stop_ _Journal_abbreviation 'Not known' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution 'Instituto de Quimica - University of Sao Paulo' _Thesis_institution_city 'Sao Paulo' _Thesis_institution_country Brazil _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'confomational disorder' 'molecular dynamics' 'nuclear magnetic resonance' 'order parameter' 'residual dipolar couplings' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cdc25B monomer' _Enzyme_commission_number 3.1.3.16 loop_ _Mol_system_component_name _Mol_label 'Cdc25B monomer' $Cdc25B stop_ _System_molecular_weight 23719 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Control of the cell cycle. Dephosphorylation of pTpY-Cdk2/Ciclin A complex' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cdc25B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cdc25B _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details 'Additional segment (366-372) at N-terminal region as a result of clonning procedure: GSHMEFQ.' ############################## # Polymer residue sequence # ############################## _Residue_count 201 _Mol_residue_sequence ; GSHMEFQSDHRELIGDYSKA FLLQTVDGKHQDLKYISPET MVALLTGKFSNIVDKFVIVD CRYPYEYEGGHIKTAVNLPL ERDAESFLLKSPIAPCSLDK RVILIFHCEFSSERGPRMCR FIRERDRAVNDYPSLYYPEM YILKGGYKEFFPQHPNFCEP QDYRPMNHEAFKDELKTFRL KTRSWAGERSRRELCSRLQD Q ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 366 GLY 2 367 SER 3 368 HIS 4 369 MET 5 370 GLU 6 371 PHE 7 372 GLN 8 373 SER 9 374 ASP 10 375 HIS 11 376 ARG 12 377 GLU 13 378 LEU 14 379 ILE 15 380 GLY 16 381 ASP 17 382 TYR 18 383 SER 19 384 LYS 20 385 ALA 21 386 PHE 22 387 LEU 23 388 LEU 24 389 GLN 25 390 THR 26 391 VAL 27 392 ASP 28 393 GLY 29 394 LYS 30 395 HIS 31 396 GLN 32 397 ASP 33 398 LEU 34 399 LYS 35 400 TYR 36 401 ILE 37 402 SER 38 403 PRO 39 404 GLU 40 405 THR 41 406 MET 42 407 VAL 43 408 ALA 44 409 LEU 45 410 LEU 46 411 THR 47 412 GLY 48 413 LYS 49 414 PHE 50 415 SER 51 416 ASN 52 417 ILE 53 418 VAL 54 419 ASP 55 420 LYS 56 421 PHE 57 422 VAL 58 423 ILE 59 424 VAL 60 425 ASP 61 426 CYS 62 427 ARG 63 428 TYR 64 429 PRO 65 430 TYR 66 431 GLU 67 432 TYR 68 433 GLU 69 434 GLY 70 435 GLY 71 436 HIS 72 437 ILE 73 438 LYS 74 439 THR 75 440 ALA 76 441 VAL 77 442 ASN 78 443 LEU 79 444 PRO 80 445 LEU 81 446 GLU 82 447 ARG 83 448 ASP 84 449 ALA 85 450 GLU 86 451 SER 87 452 PHE 88 453 LEU 89 454 LEU 90 455 LYS 91 456 SER 92 457 PRO 93 458 ILE 94 459 ALA 95 460 PRO 96 461 CYS 97 462 SER 98 463 LEU 99 464 ASP 100 465 LYS 101 466 ARG 102 467 VAL 103 468 ILE 104 469 LEU 105 470 ILE 106 471 PHE 107 472 HIS 108 473 CYS 109 474 GLU 110 475 PHE 111 476 SER 112 477 SER 113 478 GLU 114 479 ARG 115 480 GLY 116 481 PRO 117 482 ARG 118 483 MET 119 484 CYS 120 485 ARG 121 486 PHE 122 487 ILE 123 488 ARG 124 489 GLU 125 490 ARG 126 491 ASP 127 492 ARG 128 493 ALA 129 494 VAL 130 495 ASN 131 496 ASP 132 497 TYR 133 498 PRO 134 499 SER 135 500 LEU 136 501 TYR 137 502 TYR 138 503 PRO 139 504 GLU 140 505 MET 141 506 TYR 142 507 ILE 143 508 LEU 144 509 LYS 145 510 GLY 146 511 GLY 147 512 TYR 148 513 LYS 149 514 GLU 150 515 PHE 151 516 PHE 152 517 PRO 153 518 GLN 154 519 HIS 155 520 PRO 156 521 ASN 157 522 PHE 158 523 CYS 159 524 GLU 160 525 PRO 161 526 GLN 162 527 ASP 163 528 TYR 164 529 ARG 165 530 PRO 166 531 MET 167 532 ASN 168 533 HIS 169 534 GLU 170 535 ALA 171 536 PHE 172 537 LYS 173 538 ASP 174 539 GLU 175 540 LEU 176 541 LYS 177 542 THR 178 543 PHE 179 544 ARG 180 545 LEU 181 546 LYS 182 547 THR 183 548 ARG 184 549 SER 185 550 TRP 186 551 ALA 187 552 GLY 188 553 GLU 189 554 ARG 190 555 SER 191 556 ARG 192 557 ARG 193 558 GLU 194 559 LEU 195 560 CYS 196 561 SER 197 562 ARG 198 563 LEU 199 564 GLN 200 565 ASP 201 566 GLN 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 $Cdc25B 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 $Cdc25B 'recombinant technology' . Escherichia coli . p28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Used for assignment and relaxation experiments' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cdc25B 0.15 mM 0.1 0.2 '[U-100% 13C; U-100% 15N]' D2O 5 % . . [U-2H] 'sodium phosphate' 20 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' beta-mercaptoethanol 2 mM . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 'liquid crystal' _Details 'RDC measurement' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cdc25B 0.1 mM '[U-100% 13C; U-100% 15N]' D2O 5 % [U-2H] 'sodium phosphate' 20 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' n-hexanol 7.4 uL 'natural abundance' 'PEG C12E5' 5 % '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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version . loop_ _Vendor _Address _Electronic_address Palmer . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_IPAP_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $sample_2 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' 0.105 . M pH 6.75 . 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 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 ; Re-referenced chemical shifts by Zhang et al method(J Biomol NMR 2003;25:173-195) http://shiftcor.wishartlab.com/ ; loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' 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 'Cdc25B monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 368 3 HIS C C 175.142 0.000 1 2 368 3 HIS CA C 56.556 0.000 1 3 368 3 HIS CB C 30.030 0.000 1 4 369 4 MET H H 8.278 0.006 1 5 369 4 MET C C 175.841 0.070 1 6 369 4 MET CA C 55.614 0.019 1 7 369 4 MET CB C 32.519 0.055 1 8 369 4 MET N N 121.610 0.081 1 9 370 5 GLU H H 8.375 0.002 1 10 370 5 GLU C C 176.091 0.033 1 11 370 5 GLU CA C 56.795 0.022 1 12 370 5 GLU CB C 29.957 0.010 1 13 370 5 GLU N N 121.998 0.045 1 14 371 6 PHE H H 8.225 0.002 1 15 371 6 PHE C C 175.729 0.042 1 16 371 6 PHE CA C 57.894 0.017 1 17 371 6 PHE CB C 39.343 0.011 1 18 371 6 PHE N N 120.714 0.048 1 19 372 7 GLN H H 8.288 0.001 1 20 372 7 GLN C C 175.759 0.024 1 21 372 7 GLN CA C 55.821 0.011 1 22 372 7 GLN CB C 29.311 0.020 1 23 372 7 GLN N N 121.886 0.026 1 24 373 8 SER H H 8.319 0.002 1 25 373 8 SER C C 174.213 0.034 1 26 373 8 SER CA C 58.821 0.006 1 27 373 8 SER CB C 64.091 0.031 1 28 373 8 SER N N 117.036 0.034 1 29 374 9 ASP H H 8.382 0.002 1 30 374 9 ASP C C 176.124 0.022 1 31 374 9 ASP CA C 54.406 0.010 1 32 374 9 ASP CB C 41.101 0.024 1 33 374 9 ASP N N 121.901 0.102 1 34 375 10 HIS H H 8.351 0.006 1 35 375 10 HIS C C 175.452 0.033 1 36 375 10 HIS CA C 56.531 0.009 1 37 375 10 HIS CB C 29.752 0.000 1 38 375 10 HIS N N 119.946 0.045 1 39 376 11 ARG H H 8.228 0.001 1 40 376 11 ARG C C 176.133 0.043 1 41 376 11 ARG CA C 56.642 0.006 1 42 376 11 ARG CB C 30.597 0.071 1 43 376 11 ARG N N 121.459 0.025 1 44 377 12 GLU H H 8.724 0.003 1 45 377 12 GLU C C 175.838 0.000 1 46 377 12 GLU CA C 56.559 0.000 1 47 377 12 GLU CB C 30.319 0.000 1 48 377 12 GLU N N 121.250 0.028 1 49 388 23 LEU C C 176.530 0.000 1 50 388 23 LEU CA C 53.444 0.030 1 51 389 24 GLN H H 8.512 0.003 1 52 389 24 GLN C C 176.327 0.000 1 53 389 24 GLN CA C 56.508 0.020 1 54 389 24 GLN CB C 28.764 0.110 1 55 389 24 GLN N N 120.643 0.039 1 56 390 25 THR H H 8.090 0.001 1 57 390 25 THR C C 175.315 0.004 1 58 390 25 THR CA C 59.627 0.064 1 59 390 25 THR CB C 71.743 0.005 1 60 390 25 THR N N 114.845 0.056 1 61 391 26 VAL H H 8.349 0.002 1 62 391 26 VAL C C 175.069 0.022 1 63 391 26 VAL CA C 58.751 0.034 1 64 391 26 VAL CB C 34.551 0.032 1 65 391 26 VAL N N 113.659 0.041 1 66 392 27 ASP H H 8.361 0.001 1 67 392 27 ASP C C 175.384 0.055 1 68 392 27 ASP CA C 55.279 0.016 1 69 392 27 ASP CB C 41.397 0.037 1 70 392 27 ASP N N 121.281 0.061 1 71 393 28 GLY H H 7.740 0.001 1 72 393 28 GLY C C 173.720 0.009 1 73 393 28 GLY CA C 43.101 0.010 1 74 393 28 GLY N N 108.486 0.046 1 75 394 29 LYS H H 7.726 0.002 1 76 394 29 LYS C C 177.456 0.032 1 77 394 29 LYS CA C 59.354 0.017 1 78 394 29 LYS CB C 32.819 0.094 1 79 394 29 LYS N N 119.431 0.017 1 80 395 30 HIS H H 8.005 0.002 1 81 395 30 HIS C C 176.785 0.007 1 82 395 30 HIS CA C 55.658 0.010 1 83 395 30 HIS CB C 30.357 0.035 1 84 395 30 HIS N N 115.637 0.033 1 85 396 31 GLN H H 9.038 0.002 1 86 396 31 GLN C C 175.707 0.014 1 87 396 31 GLN CA C 58.045 0.025 1 88 396 31 GLN CB C 28.434 0.024 1 89 396 31 GLN N N 123.651 0.046 1 90 397 32 ASP H H 9.442 0.001 1 91 397 32 ASP C C 174.742 0.000 1 92 397 32 ASP CA C 53.715 0.007 1 93 397 32 ASP CB C 39.273 0.037 1 94 397 32 ASP N N 114.637 0.039 1 95 398 33 LEU H H 7.487 0.003 1 96 398 33 LEU C C 174.723 0.008 1 97 398 33 LEU CA C 52.998 0.005 1 98 398 33 LEU CB C 43.246 0.033 1 99 398 33 LEU N N 120.419 0.025 1 100 399 34 LYS H H 8.556 0.002 1 101 399 34 LYS C C 175.824 0.000 1 102 399 34 LYS CA C 52.689 0.022 1 103 399 34 LYS N N 118.702 0.029 1 104 400 35 TYR H H 8.951 0.002 1 105 400 35 TYR C C 176.452 0.009 1 106 400 35 TYR CA C 56.573 0.023 1 107 400 35 TYR CB C 40.996 0.011 1 108 400 35 TYR N N 121.998 0.041 1 109 401 36 ILE H H 8.872 0.002 1 110 401 36 ILE C C 174.683 0.029 1 111 401 36 ILE CA C 58.569 0.045 1 112 401 36 ILE CB C 42.240 0.054 1 113 401 36 ILE N N 110.045 0.023 1 114 402 37 SER H H 8.818 0.002 1 115 402 37 SER C C 174.393 0.000 1 116 402 37 SER CA C 55.822 0.000 1 117 402 37 SER CB C 64.781 0.000 1 118 402 37 SER N N 116.791 0.032 1 119 403 38 PRO C C 177.064 0.010 1 120 403 38 PRO CA C 66.139 0.016 1 121 403 38 PRO CB C 31.959 0.009 1 122 404 39 GLU H H 8.333 0.001 1 123 404 39 GLU C C 179.462 0.022 1 124 404 39 GLU CA C 60.134 0.020 1 125 404 39 GLU CB C 28.583 0.010 1 126 404 39 GLU N N 116.207 0.035 1 127 405 40 THR H H 7.899 0.003 1 128 405 40 THR C C 175.278 0.035 1 129 405 40 THR CA C 65.951 0.033 1 130 405 40 THR CB C 67.385 0.022 1 131 405 40 THR N N 121.736 0.040 1 132 406 41 MET H H 7.763 0.002 1 133 406 41 MET C C 177.632 0.001 1 134 406 41 MET CA C 57.888 0.009 1 135 406 41 MET CB C 34.173 0.075 1 136 406 41 MET N N 121.696 0.041 1 137 407 42 VAL H H 8.089 0.001 1 138 407 42 VAL C C 178.028 0.017 1 139 407 42 VAL CA C 66.877 0.036 1 140 407 42 VAL CB C 30.655 0.164 1 141 407 42 VAL N N 119.094 0.036 1 142 408 43 ALA H H 7.741 0.001 1 143 408 43 ALA C C 179.301 0.000 1 144 408 43 ALA CA C 55.387 0.037 1 145 408 43 ALA CB C 17.716 0.023 1 146 408 43 ALA N N 124.857 0.065 1 147 409 44 LEU H H 7.777 0.005 1 148 409 44 LEU C C 180.628 0.004 1 149 409 44 LEU CA C 58.077 0.058 1 150 409 44 LEU CB C 40.333 0.015 1 151 409 44 LEU N N 118.210 0.091 1 152 410 45 LEU H H 8.074 0.001 1 153 410 45 LEU C C 178.501 0.017 1 154 410 45 LEU CA C 58.030 0.017 1 155 410 45 LEU CB C 42.500 0.039 1 156 410 45 LEU N N 119.505 0.039 1 157 411 46 THR H H 8.006 0.003 1 158 411 46 THR C C 175.582 0.010 1 159 411 46 THR CA C 62.004 0.021 1 160 411 46 THR CB C 69.756 0.037 1 161 411 46 THR N N 107.314 0.039 1 162 412 47 GLY H H 7.683 0.001 1 163 412 47 GLY C C 177.054 0.038 1 164 412 47 GLY CA C 46.708 0.017 1 165 412 47 GLY N N 108.138 0.041 1 166 413 48 LYS H H 8.262 0.003 1 167 413 48 LYS C C 177.188 0.021 1 168 413 48 LYS CA C 58.032 0.020 1 169 413 48 LYS CB C 30.992 0.010 1 170 413 48 LYS N N 119.400 0.041 1 171 414 49 PHE H H 8.439 0.002 1 172 414 49 PHE C C 177.226 0.000 1 173 414 49 PHE CA C 56.641 0.017 1 174 414 49 PHE N N 114.033 0.057 1 175 415 50 SER H H 7.680 0.002 1 176 415 50 SER C C 174.348 0.000 1 177 415 50 SER CA C 61.932 0.012 1 178 415 50 SER CB C 63.469 0.049 1 179 415 50 SER N N 117.924 0.042 1 180 416 51 ASN H H 8.779 0.003 1 181 416 51 ASN C C 174.755 0.000 1 182 416 51 ASN CA C 55.248 0.000 1 183 416 51 ASN CB C 37.326 0.003 1 184 416 51 ASN N N 116.968 0.031 1 185 417 52 ILE C C 173.989 0.000 1 186 417 52 ILE CA C 61.676 0.000 1 187 417 52 ILE CB C 41.234 0.000 1 188 418 53 VAL H H 8.590 0.003 1 189 418 53 VAL C C 175.136 0.011 1 190 418 53 VAL CA C 62.088 0.000 1 191 418 53 VAL CB C 31.495 0.000 1 192 418 53 VAL N N 121.807 0.035 1 193 419 54 ASP H H 9.227 0.003 1 194 419 54 ASP N N 128.669 0.002 1 195 422 57 VAL C C 174.337 0.013 1 196 422 57 VAL CA C 60.647 0.000 1 197 422 57 VAL CB C 33.966 0.039 1 198 423 58 ILE H H 9.035 0.003 1 199 423 58 ILE C C 173.567 0.006 1 200 423 58 ILE CA C 60.426 0.011 1 201 423 58 ILE CB C 38.632 0.071 1 202 423 58 ILE N N 127.945 0.035 1 203 424 59 VAL H H 9.526 0.002 1 204 424 59 VAL C C 173.606 0.016 1 205 424 59 VAL CA C 61.724 0.024 1 206 424 59 VAL CB C 31.264 0.038 1 207 424 59 VAL N N 128.694 0.046 1 208 425 60 ASP H H 8.784 0.004 1 209 425 60 ASP C C 178.141 0.009 1 210 425 60 ASP CA C 52.510 0.074 1 211 425 60 ASP CB C 41.279 0.066 1 212 425 60 ASP N N 127.220 0.042 1 213 426 61 CYS H H 8.355 0.003 1 214 426 61 CYS C C 173.346 0.006 1 215 426 61 CYS CA C 58.449 0.003 1 216 426 61 CYS CB C 27.594 0.075 1 217 426 61 CYS N N 124.518 0.069 1 218 427 62 ARG H H 7.713 0.004 1 219 427 62 ARG C C 173.899 0.026 1 220 427 62 ARG CA C 54.938 0.031 1 221 427 62 ARG CB C 29.699 0.056 1 222 427 62 ARG N N 117.337 0.039 1 223 428 63 TYR H H 7.675 0.002 1 224 428 63 TYR C C 175.340 0.000 1 225 428 63 TYR CA C 54.484 0.000 1 226 428 63 TYR CB C 34.105 0.000 1 227 428 63 TYR N N 118.039 0.083 1 228 429 64 PRO C C 178.439 0.000 1 229 429 64 PRO CA C 66.488 0.013 1 230 429 64 PRO CB C 30.437 0.000 1 231 430 65 TYR H H 7.136 0.002 1 232 430 65 TYR C C 178.194 0.023 1 233 430 65 TYR CA C 59.785 0.010 1 234 430 65 TYR CB C 36.045 0.040 1 235 430 65 TYR N N 110.322 0.025 1 236 431 66 GLU H H 6.233 0.001 1 237 431 66 GLU C C 178.320 0.010 1 238 431 66 GLU CA C 59.259 0.009 1 239 431 66 GLU CB C 30.641 0.029 1 240 431 66 GLU N N 123.187 0.027 1 241 432 67 TYR H H 7.066 0.002 1 242 432 67 TYR C C 179.597 0.000 1 243 432 67 TYR CA C 61.417 0.000 1 244 432 67 TYR CB C 38.073 0.000 1 245 432 67 TYR N N 120.710 0.039 1 246 433 68 GLU C C 177.407 0.003 1 247 433 68 GLU CA C 58.209 0.006 1 248 433 68 GLU CB C 29.327 0.059 1 249 434 69 GLY H H 7.030 0.002 1 250 434 69 GLY C C 171.492 0.008 1 251 434 69 GLY CA C 44.566 0.025 1 252 434 69 GLY N N 103.770 0.036 1 253 435 70 GLY H H 6.554 0.001 1 254 435 70 GLY C C 172.135 0.000 1 255 435 70 GLY CA C 46.578 0.006 1 256 435 70 GLY N N 106.388 0.073 1 257 436 71 HIS H H 7.627 0.001 1 258 436 71 HIS C C 172.081 0.016 1 259 436 71 HIS CA C 54.013 0.019 1 260 436 71 HIS CB C 31.359 0.052 1 261 436 71 HIS N N 123.823 0.045 1 262 437 72 ILE H H 10.685 0.003 1 263 437 72 ILE C C 177.479 0.000 1 264 437 72 ILE CA C 63.683 0.000 1 265 437 72 ILE CB C 37.934 0.000 1 266 437 72 ILE N N 123.844 0.033 1 267 438 73 LYS C C 177.711 0.019 1 268 438 73 LYS CA C 59.524 0.010 1 269 438 73 LYS CB C 32.732 0.021 1 270 439 74 THR H H 8.834 0.002 1 271 439 74 THR C C 175.223 0.000 1 272 439 74 THR CA C 65.937 0.003 1 273 439 74 THR CB C 69.419 0.044 1 274 439 74 THR N N 113.597 0.047 1 275 440 75 ALA H H 8.737 0.001 1 276 440 75 ALA C C 177.939 0.007 1 277 440 75 ALA CA C 53.819 0.072 1 278 440 75 ALA CB C 21.787 0.011 1 279 440 75 ALA N N 125.739 0.038 1 280 441 76 VAL H H 9.086 0.002 1 281 441 76 VAL C C 173.704 0.019 1 282 441 76 VAL CA C 59.687 0.019 1 283 441 76 VAL CB C 33.314 0.025 1 284 441 76 VAL N N 121.160 0.052 1 285 442 77 ASN H H 8.536 0.002 1 286 442 77 ASN C C 173.313 0.002 1 287 442 77 ASN CA C 51.380 0.031 1 288 442 77 ASN CB C 38.210 0.061 1 289 442 77 ASN N N 124.657 0.029 1 290 443 78 LEU H H 7.122 0.003 1 291 443 78 LEU C C 170.923 0.000 1 292 443 78 LEU CA C 51.193 0.000 1 293 443 78 LEU CB C 41.685 0.000 1 294 443 78 LEU N N 124.244 0.034 1 295 444 79 PRO C C 177.066 0.045 1 296 444 79 PRO CA C 64.013 0.014 1 297 444 79 PRO CB C 32.082 0.042 1 298 445 80 LEU H H 7.500 0.002 1 299 445 80 LEU C C 177.994 0.011 1 300 445 80 LEU CA C 52.789 0.004 1 301 445 80 LEU CB C 42.852 0.025 1 302 445 80 LEU N N 114.920 0.045 1 303 446 81 GLU H H 9.274 0.002 1 304 446 81 GLU C C 178.457 0.002 1 305 446 81 GLU CA C 60.583 0.028 1 306 446 81 GLU CB C 28.230 0.006 1 307 446 81 GLU N N 125.171 0.043 1 308 447 82 ARG H H 8.489 0.003 1 309 447 82 ARG C C 179.180 0.005 1 310 447 82 ARG CA C 59.026 0.006 1 311 447 82 ARG CB C 28.994 0.024 1 312 447 82 ARG N N 115.415 0.036 1 313 448 83 ASP H H 6.977 0.003 1 314 448 83 ASP C C 178.607 0.014 1 315 448 83 ASP CA C 56.981 0.004 1 316 448 83 ASP CB C 41.092 0.067 1 317 448 83 ASP N N 118.919 0.036 1 318 449 84 ALA H H 8.213 0.001 1 319 449 84 ALA C C 179.279 0.009 1 320 449 84 ALA CA C 55.608 0.018 1 321 449 84 ALA CB C 18.760 0.069 1 322 449 84 ALA N N 123.323 0.038 1 323 450 85 GLU H H 9.073 0.003 1 324 450 85 GLU C C 179.059 0.082 1 325 450 85 GLU CA C 60.413 0.041 1 326 450 85 GLU CB C 29.392 0.080 1 327 450 85 GLU N N 118.473 0.056 1 328 451 86 SER H H 7.966 0.003 1 329 451 86 SER C C 175.919 0.000 1 330 451 86 SER CA C 61.965 0.004 1 331 451 86 SER CB C 63.201 0.071 1 332 451 86 SER N N 113.872 0.047 1 333 452 87 PHE H H 8.269 0.002 1 334 452 87 PHE C C 176.767 0.026 1 335 452 87 PHE CA C 61.675 0.028 1 336 452 87 PHE CB C 41.288 0.019 1 337 452 87 PHE N N 119.647 0.076 1 338 453 88 LEU H H 8.277 0.002 1 339 453 88 LEU C C 179.010 0.039 1 340 453 88 LEU CA C 55.769 0.035 1 341 453 88 LEU CB C 42.646 0.024 1 342 453 88 LEU N N 111.838 0.041 1 343 454 89 LEU H H 8.270 0.002 1 344 454 89 LEU C C 176.617 0.018 1 345 454 89 LEU CA C 55.557 0.030 1 346 454 89 LEU CB C 42.874 0.069 1 347 454 89 LEU N N 117.074 0.044 1 348 455 90 LYS H H 7.291 0.002 1 349 455 90 LYS C C 177.296 0.009 1 350 455 90 LYS CA C 59.160 0.007 1 351 455 90 LYS CB C 31.543 0.000 1 352 455 90 LYS N N 120.833 0.041 1 353 456 91 SER H H 7.819 0.006 1 354 456 91 SER CA C 54.590 0.000 1 355 456 91 SER CB C 63.130 0.000 1 356 456 91 SER N N 112.987 0.050 1 357 468 103 ILE C C 173.768 0.000 1 358 468 103 ILE CA C 60.242 0.000 1 359 468 103 ILE CB C 42.417 0.000 1 360 469 104 LEU H H 7.553 0.003 1 361 469 104 LEU C C 175.653 0.000 1 362 469 104 LEU CA C 53.349 0.000 1 363 469 104 LEU CB C 44.852 0.127 1 364 469 104 LEU N N 121.566 0.050 1 365 470 105 ILE H H 8.904 0.003 1 366 470 105 ILE C C 173.979 0.013 1 367 470 105 ILE CA C 59.692 0.000 1 368 470 105 ILE CB C 40.375 0.000 1 369 470 105 ILE N N 122.208 0.052 1 370 471 106 PHE H H 9.652 0.002 1 371 471 106 PHE C C 176.534 0.018 1 372 471 106 PHE CA C 56.367 0.055 1 373 471 106 PHE CB C 42.391 0.035 1 374 471 106 PHE N N 123.692 0.091 1 375 472 107 HIS H H 9.028 0.003 1 376 472 107 HIS C C 170.904 0.037 1 377 472 107 HIS CA C 55.298 0.011 1 378 472 107 HIS CB C 34.858 0.053 1 379 472 107 HIS N N 113.855 0.020 1 380 473 108 CYS H H 7.464 0.002 1 381 473 108 CYS C C 177.081 0.000 1 382 473 108 CYS CA C 58.197 0.000 1 383 473 108 CYS CB C 27.815 0.000 1 384 473 108 CYS N N 120.301 0.025 1 385 481 116 PRO C C 176.475 0.008 1 386 481 116 PRO CA C 66.002 0.000 1 387 481 116 PRO CB C 31.213 0.010 1 388 482 117 ARG H H 7.768 0.002 1 389 482 117 ARG C C 179.162 0.004 1 390 482 117 ARG CA C 59.767 0.036 1 391 482 117 ARG CB C 29.623 0.020 1 392 482 117 ARG N N 115.515 0.050 1 393 483 118 MET H H 8.072 0.002 1 394 483 118 MET C C 176.952 0.012 1 395 483 118 MET CA C 57.110 0.038 1 396 483 118 MET CB C 31.607 0.002 1 397 483 118 MET N N 120.992 0.064 1 398 484 119 CYS H H 7.812 0.003 1 399 484 119 CYS C C 176.389 0.013 1 400 484 119 CYS CA C 61.766 0.033 1 401 484 119 CYS CB C 27.197 0.013 1 402 484 119 CYS N N 119.738 0.057 1 403 485 120 ARG H H 7.763 0.001 1 404 485 120 ARG C C 178.814 0.033 1 405 485 120 ARG CA C 60.203 0.001 1 406 485 120 ARG CB C 29.692 0.004 1 407 485 120 ARG N N 116.319 0.039 1 408 486 121 PHE H H 8.160 0.001 1 409 486 121 PHE C C 176.390 0.002 1 410 486 121 PHE CA C 61.131 0.005 1 411 486 121 PHE CB C 38.597 0.034 1 412 486 121 PHE N N 121.751 0.041 1 413 487 122 ILE H H 8.337 0.001 1 414 487 122 ILE C C 177.343 0.000 1 415 487 122 ILE CB C 34.012 0.000 1 416 487 122 ILE N N 118.893 0.036 1 417 488 123 ARG C C 177.729 0.000 1 418 488 123 ARG CA C 56.942 0.000 1 419 488 123 ARG CB C 26.618 0.000 1 420 489 124 GLU H H 8.057 0.002 1 421 489 124 GLU C C 180.437 0.003 1 422 489 124 GLU CA C 59.679 0.010 1 423 489 124 GLU CB C 28.958 0.037 1 424 489 124 GLU N N 119.394 0.044 1 425 490 125 ARG H H 8.051 0.001 1 426 490 125 ARG C C 177.581 0.022 1 427 490 125 ARG CA C 56.738 0.008 1 428 490 125 ARG CB C 28.330 0.034 1 429 490 125 ARG N N 119.245 0.022 1 430 491 126 ASP H H 8.847 0.002 1 431 491 126 ASP C C 180.200 0.084 1 432 491 126 ASP CA C 56.556 0.000 1 433 491 126 ASP CB C 42.226 0.000 1 434 491 126 ASP N N 121.830 0.035 1 435 492 127 ARG H H 8.555 0.003 1 436 492 127 ARG C C 179.499 0.000 1 437 492 127 ARG CA C 57.880 0.052 1 438 492 127 ARG N N 116.521 0.059 1 439 493 128 ALA H H 7.660 0.002 1 440 493 128 ALA C C 179.899 0.000 1 441 493 128 ALA CA C 54.830 0.000 1 442 493 128 ALA CB C 18.595 0.000 1 443 493 128 ALA N N 118.966 0.032 1 444 494 129 VAL H H 7.439 0.000 1 445 494 129 VAL C C 174.886 0.000 1 446 494 129 VAL CA C 61.354 0.008 1 447 494 129 VAL CB C 31.623 0.000 1 448 494 129 VAL N N 109.091 0.000 1 449 495 130 ASN H H 7.134 0.002 1 450 495 130 ASN C C 174.807 0.002 1 451 495 130 ASN CA C 52.939 0.008 1 452 495 130 ASN CB C 44.731 0.034 1 453 495 130 ASN N N 120.403 0.021 1 454 496 131 ASP H H 8.825 0.002 1 455 496 131 ASP C C 175.216 0.045 1 456 496 131 ASP CA C 53.774 0.029 1 457 496 131 ASP CB C 40.650 0.008 1 458 496 131 ASP N N 120.512 0.059 1 459 497 132 TYR H H 8.856 0.001 1 460 497 132 TYR C C 175.329 0.000 1 461 497 132 TYR CA C 56.685 0.000 1 462 497 132 TYR CB C 38.871 0.000 1 463 497 132 TYR N N 128.127 0.038 1 464 506 141 TYR C C 174.422 0.000 1 465 506 141 TYR CA C 55.960 0.000 1 466 506 141 TYR CB C 44.200 0.000 1 467 507 142 ILE H H 9.470 0.003 1 468 507 142 ILE C C 176.700 0.020 1 469 507 142 ILE CA C 56.709 0.012 1 470 507 142 ILE CB C 37.000 0.091 1 471 507 142 ILE N N 120.295 0.063 1 472 508 143 LEU H H 7.795 0.003 1 473 508 143 LEU C C 175.128 0.032 1 474 508 143 LEU CA C 54.213 0.001 1 475 508 143 LEU CB C 42.087 0.027 1 476 508 143 LEU N N 125.153 0.046 1 477 509 144 LYS H H 9.722 0.003 1 478 509 144 LYS C C 177.019 0.026 1 479 509 144 LYS CA C 58.756 0.032 1 480 509 144 LYS CB C 32.731 0.071 1 481 509 144 LYS N N 136.831 0.034 1 482 510 145 GLY H H 9.589 0.002 1 483 510 145 GLY C C 174.392 0.007 1 484 510 145 GLY CA C 45.528 0.002 1 485 510 145 GLY N N 118.147 0.022 1 486 511 146 GLY H H 7.474 0.003 1 487 511 146 GLY C C 172.754 0.019 1 488 511 146 GLY CA C 45.736 0.026 1 489 511 146 GLY N N 101.821 0.009 1 490 512 147 TYR H H 8.343 0.002 1 491 512 147 TYR C C 175.489 0.024 1 492 512 147 TYR CA C 62.976 0.003 1 493 512 147 TYR CB C 40.172 0.074 1 494 512 147 TYR N N 121.456 0.086 1 495 513 148 LYS H H 8.932 0.003 1 496 513 148 LYS C C 177.479 0.019 1 497 513 148 LYS CA C 59.734 0.018 1 498 513 148 LYS CB C 31.996 0.055 1 499 513 148 LYS N N 115.547 0.040 1 500 514 149 GLU H H 6.673 0.001 1 501 514 149 GLU C C 177.193 0.012 1 502 514 149 GLU CA C 56.700 0.016 1 503 514 149 GLU CB C 29.638 0.031 1 504 514 149 GLU N N 111.406 0.035 1 505 515 150 PHE H H 7.462 0.002 1 506 515 150 PHE C C 175.774 0.002 1 507 515 150 PHE CA C 62.812 0.025 1 508 515 150 PHE CB C 41.011 0.063 1 509 515 150 PHE N N 121.173 0.026 1 510 516 151 PHE H H 7.831 0.001 1 511 516 151 PHE C C 172.513 0.000 1 512 516 151 PHE CA C 62.129 0.000 1 513 516 151 PHE CB C 36.002 0.000 1 514 516 151 PHE N N 117.748 0.043 1 515 517 152 PRO C C 178.343 0.009 1 516 517 152 PRO CA C 64.671 0.023 1 517 517 152 PRO CB C 30.264 0.000 1 518 518 153 GLN H H 6.385 0.002 1 519 518 153 GLN C C 175.298 0.018 1 520 518 153 GLN CA C 56.805 0.013 1 521 518 153 GLN CB C 30.382 0.001 1 522 518 153 GLN N N 111.973 0.039 1 523 519 154 HIS H H 7.201 0.002 1 524 519 154 HIS C C 172.927 0.000 1 525 519 154 HIS CA C 53.380 0.000 1 526 519 154 HIS CB C 30.371 0.000 1 527 519 154 HIS N N 115.340 0.024 1 528 520 155 PRO C C 178.297 0.006 1 529 520 155 PRO CA C 66.101 0.013 1 530 520 155 PRO CB C 30.277 0.000 1 531 521 156 ASN H H 8.389 0.001 1 532 521 156 ASN C C 175.919 0.001 1 533 521 156 ASN CA C 54.813 0.009 1 534 521 156 ASN CB C 36.373 0.068 1 535 521 156 ASN N N 111.435 0.034 1 536 522 157 PHE H H 8.000 0.001 1 537 522 157 PHE C C 173.105 0.019 1 538 522 157 PHE CA C 59.410 0.023 1 539 522 157 PHE CB C 39.088 0.008 1 540 522 157 PHE N N 117.888 0.032 1 541 523 158 CYS H H 7.795 0.001 1 542 523 158 CYS C C 172.596 0.013 1 543 523 158 CYS CA C 58.701 0.035 1 544 523 158 CYS CB C 31.551 0.025 1 545 523 158 CYS N N 119.448 0.037 1 546 524 159 GLU H H 9.355 0.002 1 547 524 159 GLU C C 175.819 0.000 1 548 524 159 GLU CA C 54.099 0.000 1 549 524 159 GLU CB C 33.499 0.000 1 550 524 159 GLU N N 122.118 0.053 1 551 525 160 PRO C C 175.935 0.005 1 552 525 160 PRO CA C 63.463 0.004 1 553 525 160 PRO CB C 33.856 0.018 1 554 526 161 GLN H H 8.556 0.002 1 555 526 161 GLN C C 173.852 0.032 1 556 526 161 GLN CA C 55.333 0.018 1 557 526 161 GLN CB C 25.949 0.015 1 558 526 161 GLN N N 119.242 0.034 1 559 527 162 ASP H H 8.066 0.001 1 560 527 162 ASP C C 172.000 0.001 1 561 527 162 ASP CA C 52.156 0.028 1 562 527 162 ASP CB C 43.134 0.047 1 563 527 162 ASP N N 123.806 0.045 1 564 528 163 TYR H H 9.089 0.002 1 565 528 163 TYR C C 172.766 0.000 1 566 528 163 TYR CA C 54.343 0.021 1 567 528 163 TYR CB C 40.432 0.044 1 568 528 163 TYR N N 120.207 0.041 1 569 529 164 ARG H H 9.166 0.001 1 570 529 164 ARG C C 171.861 0.000 1 571 529 164 ARG CA C 52.125 0.000 1 572 529 164 ARG CB C 32.672 0.000 1 573 529 164 ARG N N 133.746 0.044 1 574 530 165 PRO C C 176.245 0.002 1 575 530 165 PRO CA C 62.551 0.011 1 576 530 165 PRO CB C 33.347 0.029 1 577 531 166 MET H H 8.394 0.003 1 578 531 166 MET C C 179.915 0.003 1 579 531 166 MET CA C 59.700 0.017 1 580 531 166 MET CB C 33.669 0.007 1 581 531 166 MET N N 122.568 0.042 1 582 532 167 ASN H H 8.582 0.001 1 583 532 167 ASN C C 174.423 0.006 1 584 532 167 ASN CA C 52.971 0.013 1 585 532 167 ASN CB C 37.576 0.003 1 586 532 167 ASN N N 113.961 0.022 1 587 533 168 HIS H H 7.576 0.002 1 588 533 168 HIS C C 179.002 0.018 1 589 533 168 HIS CA C 59.687 0.001 1 590 533 168 HIS CB C 31.491 0.038 1 591 533 168 HIS N N 120.528 0.048 1 592 534 169 GLU H H 8.943 0.001 1 593 534 169 GLU C C 177.594 0.000 1 594 534 169 GLU CA C 59.606 0.000 1 595 534 169 GLU CB C 29.416 0.000 1 596 534 169 GLU N N 130.121 0.036 1 597 535 170 ALA C C 178.120 0.032 1 598 535 170 ALA CA C 53.120 0.039 1 599 535 170 ALA CB C 18.209 0.047 1 600 536 171 PHE H H 7.874 0.001 1 601 536 171 PHE C C 174.807 0.017 1 602 536 171 PHE CA C 57.917 0.010 1 603 536 171 PHE CB C 39.546 0.046 1 604 536 171 PHE N N 117.200 0.034 1 605 537 172 LYS H H 7.261 0.002 1 606 537 172 LYS C C 179.381 0.088 1 607 537 172 LYS CA C 59.894 0.007 1 608 537 172 LYS CB C 32.091 0.013 1 609 537 172 LYS N N 119.408 0.028 1 610 538 173 ASP H H 8.708 0.001 1 611 538 173 ASP C C 178.543 0.019 1 612 538 173 ASP CA C 57.548 0.020 1 613 538 173 ASP CB C 40.087 0.049 1 614 538 173 ASP N N 119.846 0.036 1 615 539 174 GLU H H 8.121 0.001 1 616 539 174 GLU C C 179.112 0.028 1 617 539 174 GLU CA C 59.919 0.021 1 618 539 174 GLU CB C 29.273 0.009 1 619 539 174 GLU N N 123.371 0.029 1 620 540 175 LEU H H 8.401 0.003 1 621 540 175 LEU C C 178.351 0.013 1 622 540 175 LEU CA C 58.979 0.027 1 623 540 175 LEU CB C 40.110 0.000 1 624 540 175 LEU N N 122.123 0.022 1 625 541 176 LYS H H 7.790 0.001 1 626 541 176 LYS C C 179.196 0.007 1 627 541 176 LYS CA C 59.959 0.023 1 628 541 176 LYS CB C 31.794 0.024 1 629 541 176 LYS N N 118.000 0.032 1 630 542 177 THR H H 8.033 0.001 1 631 542 177 THR C C 176.621 0.009 1 632 542 177 THR CA C 66.303 0.022 1 633 542 177 THR CB C 68.715 0.093 1 634 542 177 THR N N 114.327 0.031 1 635 543 178 PHE H H 8.490 0.002 1 636 543 178 PHE C C 178.687 0.022 1 637 543 178 PHE CA C 63.250 0.012 1 638 543 178 PHE CB C 37.904 0.032 1 639 543 178 PHE N N 121.559 0.035 1 640 544 179 ARG H H 8.691 0.002 1 641 544 179 ARG C C 178.679 0.044 1 642 544 179 ARG CA C 59.547 0.014 1 643 544 179 ARG CB C 29.627 0.063 1 644 544 179 ARG N N 120.195 0.027 1 645 545 180 LEU H H 7.641 0.003 1 646 545 180 LEU C C 179.426 0.035 1 647 545 180 LEU CA C 57.408 0.009 1 648 545 180 LEU CB C 41.388 0.024 1 649 545 180 LEU N N 119.137 0.025 1 650 546 181 LYS H H 7.887 0.002 1 651 546 181 LYS C C 177.817 0.017 1 652 546 181 LYS CA C 58.214 0.010 1 653 546 181 LYS CB C 32.727 0.022 1 654 546 181 LYS N N 118.225 0.024 1 655 547 182 THR H H 7.681 0.003 1 656 547 182 THR C C 174.807 0.011 1 657 547 182 THR CA C 62.596 0.013 1 658 547 182 THR CB C 70.006 0.023 1 659 547 182 THR N N 110.026 0.054 1 660 548 183 ARG H H 7.857 0.001 1 661 548 183 ARG C C 176.749 0.061 1 662 548 183 ARG CA C 56.917 0.010 1 663 548 183 ARG CB C 29.920 0.025 1 664 548 183 ARG N N 121.678 0.045 1 665 549 184 SER H H 8.276 0.001 1 666 549 184 SER C C 174.711 0.072 1 667 549 184 SER CA C 59.031 0.043 1 668 549 184 SER CB C 63.883 0.051 1 669 549 184 SER N N 116.071 0.054 1 670 550 185 TRP H H 8.183 0.002 1 671 550 185 TRP C C 176.162 0.016 1 672 550 185 TRP CA C 57.771 0.005 1 673 550 185 TRP CB C 29.792 0.025 1 674 550 185 TRP N N 123.320 0.032 1 675 551 186 ALA H H 8.173 0.002 1 676 551 186 ALA C C 178.168 0.025 1 677 551 186 ALA CA C 53.003 0.009 1 678 551 186 ALA CB C 18.864 0.061 1 679 551 186 ALA N N 125.357 0.050 1 680 552 187 GLY H H 7.679 0.002 1 681 552 187 GLY C C 174.312 0.004 1 682 552 187 GLY CA C 45.379 0.010 1 683 552 187 GLY N N 107.027 0.029 1 684 553 188 GLU H H 8.225 0.001 1 685 553 188 GLU C C 177.106 0.000 1 686 553 188 GLU CA C 57.032 0.057 1 687 553 188 GLU CB C 29.909 0.061 1 688 553 188 GLU N N 121.012 0.034 1 689 554 189 ARG H H 8.390 0.002 1 690 554 189 ARG C C 176.842 0.065 1 691 554 189 ARG CA C 56.962 0.036 1 692 554 189 ARG CB C 29.943 0.032 1 693 554 189 ARG N N 121.475 0.037 1 694 555 190 SER H H 8.233 0.004 1 695 555 190 SER C C 174.877 0.000 1 696 555 190 SER CA C 59.098 0.011 1 697 555 190 SER CB C 63.898 0.063 1 698 555 190 SER N N 116.064 0.048 1 699 556 191 ARG H H 8.261 0.001 1 700 556 191 ARG C C 176.794 0.043 1 701 556 191 ARG CA C 56.839 0.010 1 702 556 191 ARG CB C 29.935 0.003 1 703 556 191 ARG N N 122.620 0.021 1 704 557 192 ARG H H 8.250 0.001 1 705 557 192 ARG C C 176.829 0.011 1 706 557 192 ARG CA C 56.953 0.000 1 707 557 192 ARG CB C 30.144 0.009 1 708 557 192 ARG N N 121.323 0.030 1 709 558 193 GLU H H 8.379 0.002 1 710 558 193 GLU C C 176.783 0.041 1 711 558 193 GLU CA C 57.012 0.017 1 712 558 193 GLU CB C 29.771 0.077 1 713 558 193 GLU N N 121.106 0.089 1 714 559 194 LEU H H 8.197 0.001 1 715 559 194 LEU C C 177.552 0.038 1 716 559 194 LEU CA C 55.783 0.003 1 717 559 194 LEU CB C 41.634 0.057 1 718 559 194 LEU N N 122.329 0.048 1 719 560 195 CYS H H 8.252 0.002 1 720 560 195 CYS C C 174.848 0.008 1 721 560 195 CYS CA C 59.087 0.011 1 722 560 195 CYS CB C 28.286 0.045 1 723 560 195 CYS N N 119.162 0.067 1 724 561 196 SER H H 8.320 0.002 1 725 561 196 SER C C 174.528 0.000 1 726 561 196 SER CA C 59.007 0.051 1 727 561 196 SER CB C 63.721 0.000 1 728 561 196 SER N N 118.209 0.068 1 729 562 197 ARG H H 8.299 0.001 1 730 562 197 ARG C C 176.383 0.019 1 731 562 197 ARG CA C 56.390 0.020 1 732 562 197 ARG CB C 30.196 0.030 1 733 562 197 ARG N N 122.700 0.018 1 734 563 198 LEU H H 8.241 0.001 1 735 563 198 LEU C C 177.446 0.020 1 736 563 198 LEU CA C 55.633 0.031 1 737 563 198 LEU CB C 41.678 0.015 1 738 563 198 LEU N N 122.860 0.041 1 739 564 199 GLN H H 8.305 0.001 1 740 564 199 GLN C C 175.621 0.006 1 741 564 199 GLN CA C 56.073 0.054 1 742 564 199 GLN CB C 29.235 0.019 1 743 564 199 GLN N N 119.912 0.019 1 744 565 200 ASP H H 8.309 0.001 1 745 565 200 ASP C C 175.197 0.020 1 746 565 200 ASP CA C 54.830 0.010 1 747 565 200 ASP CB C 40.995 0.024 1 748 565 200 ASP N N 121.447 0.021 1 749 566 201 GLN H H 7.833 0.001 1 750 566 201 GLN C C 180.590 0.000 1 751 566 201 GLN CA C 57.430 0.000 1 752 566 201 GLN CB C 30.226 0.000 1 753 566 201 GLN N N 124.592 0.026 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings _Details 'PEG/n-hexanol anisotropic liquid crystal medium' _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Text_data_format . _Text_data . loop_ _Sample_label $sample_2 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value 1DHN 5 GLU H 5 GLU N -11.313 $NMRPipe ? ? . . 1DHN 6 PHE H 6 PHE N -4.388 $NMRPipe ? ? . . 1DHN 7 GLN H 7 GLN N 0.930 $NMRPipe ? ? . . 1DHN 8 SER H 8 SER N -0.862 $NMRPipe ? ? . . 1DHN 9 ASP H 9 ASP N 4.650 $NMRPipe ? ? . . 1DHN 10 HIS H 10 HIS N -0.140 $NMRPipe ? ? . . 1DHN 11 ARG H 11 ARG N -2.992 $NMRPipe ? ? . . 1DHN 12 GLU H 12 GLU N 1.158 $NMRPipe ? ? . . 1DHN 24 GLN H 24 GLN N 13.698 $NMRPipe ? ? . . 1DHN 25 THR H 25 THR N -9.745 $NMRPipe ? ? . . 1DHN 26 VAL H 26 VAL N 1.323 $NMRPipe ? ? . . 1DHN 27 ASP H 27 ASP N 2.955 $NMRPipe ? ? . . 1DHN 28 GLY H 28 GLY N -3.481 $NMRPipe ? ? . . 1DHN 29 LYS H 29 LYS N 3.382 $NMRPipe ? ? . . 1DHN 30 HIS H 30 HIS N 18.058 $NMRPipe ? ? . . 1DHN 31 GLN H 31 GLN N 3.279 $NMRPipe ? ? . . 1DHN 32 ASP H 32 ASP N -22.694 $NMRPipe ? ? . . 1DHN 33 LEU H 33 LEU N 5.021 $NMRPipe ? ? . . 1DHN 34 LYS H 34 LYS N 11.192 $NMRPipe ? ? . . 1DHN 35 TYR H 35 TYR N 8.319 $NMRPipe ? ? . . 1DHN 36 ILE H 36 ILE N -13.986 $NMRPipe ? ? . . 1DHN 37 SER H 37 SER N -24.899 $NMRPipe ? ? . . 1DHN 39 GLU H 39 GLU N 17.699 $NMRPipe ? ? . . 1DHN 40 THR H 40 THR N 10.037 $NMRPipe ? ? . . 1DHN 41 MET H 41 MET N 2.957 $NMRPipe ? ? . . 1DHN 42 VAL H 42 VAL N 14.679 $NMRPipe ? ? . . 1DHN 43 ALA H 43 ALA N 21.300 $NMRPipe ? ? . . 1DHN 44 LEU H 44 LEU N 8.355 $NMRPipe ? ? . . 1DHN 45 LEU H 45 LEU N 11.902 $NMRPipe ? ? . . 1DHN 46 THR H 46 THR N 20.758 $NMRPipe ? ? . . 1DHN 47 GLY H 47 GLY N -0.669 $NMRPipe ? ? . . 1DHN 48 LYS H 48 LYS N -21.057 $NMRPipe ? ? . . 1DHN 49 PHE H 49 PHE N -18.607 $NMRPipe ? ? . . 1DHN 50 SER H 50 SER N 10.034 $NMRPipe ? ? . . 1DHN 51 ASN H 51 ASN N 7.097 $NMRPipe ? ? . . 1DHN 54 ASP H 54 ASP N 14.900 $NMRPipe ? ? . . 1DHN 56 PHE H 56 PHE N 12.759 $NMRPipe ? ? . . 1DHN 57 VAL H 57 VAL N 10.224 $NMRPipe ? ? . . 1DHN 58 ILE H 58 ILE N 19.300 $NMRPipe ? ? . . 1DHN 59 VAL H 59 VAL N 7.000 $NMRPipe ? ? . . 1DHN 60 ASP H 60 ASP N 18.700 $NMRPipe ? ? . . 1DHN 61 CYS H 61 CYS N 7.000 $NMRPipe ? ? . . 1DHN 62 ARG H 62 ARG N 1.136 $NMRPipe ? ? . . 1DHN 63 TYR H 63 TYR N -1.164 $NMRPipe ? ? . . 1DHN 65 TYR H 65 TYR N 1.881 $NMRPipe ? ? . . 1DHN 66 GLU H 66 GLU N 5.354 $NMRPipe ? ? . . 1DHN 67 TYR H 67 TYR N -1.616 $NMRPipe ? ? . . 1DHN 68 GLU H 68 GLU N 0.330 $NMRPipe ? ? . . 1DHN 69 GLY H 69 GLY N 14.101 $NMRPipe ? ? . . 1DHN 70 GLY H 70 GLY N 3.574 $NMRPipe ? ? . . 1DHN 71 HIS H 71 HIS N 19.398 $NMRPipe ? ? . . 1DHN 72 ILE H 72 ILE N 10.613 $NMRPipe ? ? . . 1DHN 74 THR H 74 THR N -7.773 $NMRPipe ? ? . . 1DHN 75 ALA H 75 ALA N -2.700 $NMRPipe ? ? . . 1DHN 76 VAL H 76 VAL N 3.424 $NMRPipe ? ? . . 1DHN 77 ASN H 77 ASN N 17.800 $NMRPipe ? ? . . 1DHN 78 LEU H 78 LEU N 9.300 $NMRPipe ? ? . . 1DHN 80 LEU H 80 LEU N 15.624 $NMRPipe ? ? . . 1DHN 81 GLU H 81 GLU N -3.100 $NMRPipe ? ? . . 1DHN 82 ARG H 82 ARG N -17.128 $NMRPipe ? ? . . 1DHN 83 ASP H 83 ASP N -0.480 $NMRPipe ? ? . . 1DHN 84 ALA H 84 ALA N -3.265 $NMRPipe ? ? . . 1DHN 85 GLU H 85 GLU N -14.341 $NMRPipe ? ? . . 1DHN 86 SER H 86 SER N -19.916 $NMRPipe ? ? . . 1DHN 87 PHE H 87 PHE N -1.915 $NMRPipe ? ? . . 1DHN 88 LEU H 88 LEU N -5.627 $NMRPipe ? ? . . 1DHN 89 LEU H 89 LEU N -32.995 $NMRPipe ? ? . . 1DHN 90 LYS H 90 LYS N -12.236 $NMRPipe ? ? . . 1DHN 91 SER H 91 SER N -6.781 $NMRPipe ? ? . . 1DHN 103 ILE H 103 ILE N 4.351 $NMRPipe ? ? . . 1DHN 104 LEU H 104 LEU N 11.541 $NMRPipe ? ? . . 1DHN 105 ILE H 105 ILE N 15.432 $NMRPipe ? ? . . 1DHN 106 PHE H 106 PHE N 6.293 $NMRPipe ? ? . . 1DHN 107 HIS H 107 HIS N 11.088 $NMRPipe ? ? . . 1DHN 117 ARG H 117 ARG N -13.978 $NMRPipe ? ? . . 1DHN 118 MET H 118 MET N -3.415 $NMRPipe ? ? . . 1DHN 120 ARG H 120 ARG N -15.343 $NMRPipe ? ? . . 1DHN 121 PHE H 121 PHE N -9.136 $NMRPipe ? ? . . 1DHN 122 ILE H 122 ILE N -1.741 $NMRPipe ? ? . . 1DHN 123 ARG H 123 ARG N -10.001 $NMRPipe ? ? . . 1DHN 124 GLU H 124 GLU N -12.262 $NMRPipe ? ? . . 1DHN 125 ARG H 125 ARG N -8.630 $NMRPipe ? ? . . 1DHN 126 ASP H 126 ASP N -6.392 $NMRPipe ? ? . . 1DHN 127 ARG H 127 ARG N -14.747 $NMRPipe ? ? . . 1DHN 128 ALA H 128 ALA N -11.884 $NMRPipe ? ? . . 1DHN 129 VAL H 129 VAL N 2.086 $NMRPipe ? ? . . 1DHN 130 ASN H 130 ASN N 7.203 $NMRPipe ? ? . . 1DHN 131 ASP H 131 ASP N 14.962 $NMRPipe ? ? . . 1DHN 132 TYR H 132 TYR N 4.000 $NMRPipe ? ? . . 1DHN 140 MET H 140 MET N 5.047 $NMRPipe ? ? . . 1DHN 141 TYR H 141 TYR N 11.916 $NMRPipe ? ? . . 1DHN 142 ILE H 142 ILE N 6.006 $NMRPipe ? ? . . 1DHN 143 LEU H 143 LEU N -1.100 $NMRPipe ? ? . . 1DHN 144 LYS H 144 LYS N -19.600 $NMRPipe ? ? . . 1DHN 145 GLY H 145 GLY N 15.230 $NMRPipe ? ? . . 1DHN 146 GLY H 146 GLY N -20.928 $NMRPipe ? ? . . 1DHN 148 LYS H 148 LYS N 8.511 $NMRPipe ? ? . . 1DHN 149 GLU H 149 GLU N 3.163 $NMRPipe ? ? . . 1DHN 150 PHE H 150 PHE N 0.909 $NMRPipe ? ? . . 1DHN 151 PHE H 151 PHE N 4.659 $NMRPipe ? ? . . 1DHN 153 GLN H 153 GLN N 6.536 $NMRPipe ? ? . . 1DHN 154 HIS H 154 HIS N -3.298 $NMRPipe ? ? . . 1DHN 156 ASN H 156 ASN N 4.288 $NMRPipe ? ? . . 1DHN 157 PHE H 157 PHE N 15.668 $NMRPipe ? ? . . 1DHN 158 CYS H 158 CYS N 2.713 $NMRPipe ? ? . . 1DHN 159 GLU H 159 GLU N 11.523 $NMRPipe ? ? . . 1DHN 161 GLN H 161 GLN N 13.878 $NMRPipe ? ? . . 1DHN 162 ASP H 162 ASP N -9.316 $NMRPipe ? ? . . 1DHN 163 TYR H 163 TYR N -14.741 $NMRPipe ? ? . . 1DHN 164 ARG H 164 ARG N -14.900 $NMRPipe ? ? . . 1DHN 166 MET H 166 MET N -14.770 $NMRPipe ? ? . . 1DHN 167 ASN H 167 ASN N -10.242 $NMRPipe ? ? . . 1DHN 168 HIS H 168 HIS N -16.290 $NMRPipe ? ? . . 1DHN 169 GLU H 169 GLU N 3.800 $NMRPipe ? ? . . 1DHN 170 ALA H 170 ALA N 9.002 $NMRPipe ? ? . . 1DHN 171 PHE H 171 PHE N 9.867 $NMRPipe ? ? . . 1DHN 172 LYS H 172 LYS N -6.556 $NMRPipe ? ? . . 1DHN 173 ASP H 173 ASP N 5.516 $NMRPipe ? ? . . 1DHN 174 GLU H 174 GLU N -21.256 $NMRPipe ? ? . . 1DHN 176 LYS H 176 LYS N -4.517 $NMRPipe ? ? . . 1DHN 177 THR H 177 THR N 3.504 $NMRPipe ? ? . . 1DHN 178 PHE H 178 PHE N 0.992 $NMRPipe ? ? . . 1DHN 179 ARG H 179 ARG N -11.180 $NMRPipe ? ? . . 1DHN 180 LEU H 180 LEU N -2.379 $NMRPipe ? ? . . 1DHN 181 LYS H 181 LYS N 2.278 $NMRPipe ? ? . . 1DHN 182 THR H 182 THR N -8.929 $NMRPipe ? ? . . 1DHN 183 ARG H 183 ARG N -5.899 $NMRPipe ? ? . . 1DHN 184 SER H 184 SER N 1.060 $NMRPipe ? ? . . 1DHN 185 TRP H 185 TRP N -1.843 $NMRPipe ? ? . . 1DHN 186 ALA H 186 ALA N -1.600 $NMRPipe ? ? . . 1DHN 187 GLY H 187 GLY N -0.297 $NMRPipe ? ? . . 1DHN 188 GLU H 188 GLU N 6.701 $NMRPipe ? ? . . 1DHN 189 ARG H 189 ARG N -2.963 $NMRPipe ? ? . . 1DHN 191 ARG H 191 ARG N 3.807 $NMRPipe ? ? . . 1DHN 192 ARG H 192 ARG N 1.131 $NMRPipe ? ? . . 1DHN 193 GLU H 193 GLU N -1.489 $NMRPipe ? ? . . 1DHN 194 LEU H 194 LEU N -0.072 $NMRPipe ? ? . . 1DHN 195 CYS H 195 CYS N 0.678 $NMRPipe ? ? . . 1DHN 196 SER H 196 SER N -0.734 $NMRPipe ? ? . . 1DHN 197 ARG H 197 ARG N 0.864 $NMRPipe ? ? . . 1DHN 198 LEU H 198 LEU N 0.726 $NMRPipe ? ? . . 1DHN 199 GLN H 199 GLN N 0.612 $NMRPipe ? ? . . 1DHN 200 ASP H 200 ASP N 1.087 $NMRPipe ? ? . . 1DHN 201 GLN H 201 GLN N 0.700 $NMRPipe ? ? . . stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Iz _T1_value_units s _Mol_system_component_name 'Cdc25B monomer' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 PHE N 0.804505 0.00711952 2 7 GLN N 0.803859 0.00840045 3 8 SER N 0.982318 0.0221938 4 10 HIS N 1.0395 0.0280946 5 12 GLU N 0.97561 0.0456871 6 24 GLN N 1.36799 0.0299423 7 25 THR N 1.5083 0.0204746 8 26 VAL N 1.33511 0.0213903 9 27 ASP N 1.2837 0.00823939 10 28 GLY N 1.5456 0.0191109 11 29 LYS N 1.51745 0.0322372 12 30 HIS N 1.31926 0.019145 13 31 GLN N 1.57978 0.0474183 14 32 ASP N 1.35135 0.0255661 15 33 LEU N 1.41044 0.0139253 16 34 LYS N 1.57233 0.0444998 17 35 TYR N 1.39665 0.0273088 18 36 ILE N 1.4771 0.0240002 19 37 SER N 1.42248 0.0283281 20 39 GLU N 1.30548 0.01193 21 40 THR N 1.37174 0.0169351 22 41 MET N 1.27065 0.0145309 23 42 VAL N 1.28205 0.0115056 24 43 ALA N 1.25313 0.0109924 25 44 LEU N 1.40845 0.0178536 26 45 LEU N 1.39276 0.017458 27 46 THR N 1.32626 0.0158307 28 47 GLY N 1.38889 0.0154321 29 48 LYS N 1.33869 0.0143367 30 49 PHE N 1.40647 0.0217597 31 50 SER N 1.34048 0.0197658 32 51 ASN N 1.33333 0.0373333 33 53 VAL N 1.23609 0.0198631 34 54 ASP N 1.27226 0.0679836 35 56 PHE N 1.39665 0.0136544 36 57 VAL N 1.42045 0.0504423 37 58 ILE N 1.4245 0.0182628 38 59 VAL N 1.43885 0.028984 39 60 ASP N 1.4245 0.0243505 40 61 CYS N 1.4245 0.0304381 41 62 ARG N 1.4556 0.0254254 42 63 TYR N 1.43678 0.0350938 43 65 TYR N 1.35318 0.0256353 44 66 GLU N 1.287 0.0215328 45 67 TYR N 1.42248 0.0283281 46 68 GLU N 1.40252 0.0904855 47 69 GLY N 1.33333 0.0195556 48 70 GLY N 1.43678 0.0185791 49 71 HIS N 1.30378 0.0169984 50 72 ILE N 1.35501 0.0532458 51 74 THR N 1.65017 0.06263 52 75 ALA N 1.17509 0.0276166 53 76 VAL N 1.37552 0.0189204 54 77 ASN N 1.287 0.013251 55 78 LEU N 1.47275 0.023859 56 80 LEU N 1.40845 0.0158699 57 81 GLU N 1.40056 0.0353082 58 82 ARG N 1.34409 0.0234854 59 83 ASP N 1.36612 0.0149303 60 84 ALA N 1.30548 0.0187471 61 85 GLU N 1.5015 0.0180361 62 86 SER N 1.44509 0.0187945 63 87 PHE N 1.37552 0.0151364 64 88 LEU N 1.45138 0.0315975 65 89 LEU N 1.39276 0.0213375 66 90 LYS N 1.49701 0.0201692 67 91 SER N 1.43472 0.0164674 68 103 ILE N 1.34409 0.0361313 69 104 LEU N 1.37552 0.0245966 70 105 ILE N 1.39276 0.0193977 71 106 PHE N 1.45349 0.0338021 72 107 HIS N 1.40056 0.0196157 73 117 ARG N 1.45773 0.0191247 74 118 MET N 1.33333 0.0213333 75 119 CYS N 1.40449 0.0236713 76 120 ARG N 1.37174 0.0282251 77 121 PHE N 1.32626 0.0175897 78 122 ILE N 1.3986 0.0273852 79 123 ARG N 1.44928 0.0378072 80 125 ARG N 1.37741 0.0113836 81 126 ASP N 1.31926 0.0226259 82 127 ARG N 1.28866 0.0664258 83 128 ALA N 1.39665 0.0117038 84 129 VAL N 1.37931 0.0570749 85 130 ASN N 1.39082 0.0174094 86 131 ASP N 1.42248 0.0222578 87 132 TYR N 1.45985 0.0277053 88 140 MET N 1.49701 0.0761949 89 141 TYR N 1.41844 0.0543232 90 142 ILE N 1.46843 0.0345005 91 143 LEU N 1.32802 0.0211637 92 144 LYS N 1.34048 0.0305472 93 145 GLY N 1.23457 0.0320073 94 146 GLY N 1.51745 0.0345398 95 148 LYS N 1.34228 0.0198189 96 149 GLU N 1.3624 0.0167052 97 150 PHE N 1.32979 0.015915 98 151 PHE N 1.33511 0.0196078 99 153 GLN N 1.42248 0.0161875 100 154 HIS N 1.54799 0.0143776 101 156 ASN N 1.287 0.0115946 102 157 PHE N 1.33333 0.0106667 103 158 CYS N 1.41844 0.0140838 104 159 GLU N 1.35318 0.018311 105 161 GLN N 1.443 0.016658 106 162 ASP N 1.46628 0.0171997 107 163 TYR N 1.6 0.01792 108 164 ARG N 1.41243 0.0518689 109 166 MET N 1.43885 0.0351949 110 167 ASN N 1.42857 0.0265306 111 168 HIS N 1.45773 0.0276245 112 169 GLU N 1.28535 0.0313902 113 170 ALA N 1.52439 0.148721 114 171 PHE N 1.38696 0.0192367 115 172 LYS N 1.31926 0.0139236 116 173 ASP N 1.3089 0.0137058 117 174 GLU N 1.287 0.0115946 118 176 LYS N 1.29366 0.0133885 119 177 THR N 1.28866 0.0132852 120 178 PHE N 1.21803 0.0148359 121 179 ARG N 1.24224 0.0169747 122 180 LEU N 1.21951 0.0104105 123 181 LYS N 1.18203 0.0167664 124 182 THR N 1.21803 0.0267046 125 183 ARG N 1.09769 0.0192789 126 184 SER N 0.853242 0.0167445 127 185 TRP N 0.933707 0.0148207 128 186 ALA N 0.84317 0.0184843 129 187 GLY N 0.824402 0.0217485 130 188 GLU N 0.834725 0.00836118 131 189 ARG N 0.848176 0.0136687 132 193 GLU N 0.83682 0.00840321 133 194 LEU N 0.757002 0.0160455 134 198 LEU N 0.781861 0.00611306 135 199 GLN N 0.93985 0.0203163 136 200 ASP N 0.993049 0.0128199 137 201 GLN N 1.18343 0.00700256 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T2_coherence_type I(+,-) _T2_value_units s _Mol_system_component_name 'Cdc25B monomer' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 6 PHE N 0.163106 0.00654444 . . 2 7 GLN N 0.166306 0.0157649 . . 3 10 HIS N 0.122579 0.00398179 . . 4 12 GLU N 0.0815661 0.00232856 . . 5 24 GLN N 0.0553618 0.00136389 . . 6 26 VAL N 0.052626 0.00104133 . . 7 27 ASP N 0.0670376 0.00127181 . . 8 28 GLY N 0.0680226 0.000481215 . . 9 29 LYS N 0.0511797 0.000599834 . . 10 33 LEU N 0.047335 0.00140262 . . 11 34 LYS N 0.0533675 0.00071487 . . 12 35 TYR N 0.0476849 0.0017304 . . 13 36 ILE N 0.0556081 0.000436008 . . 14 40 THR N 0.0441404 0.000381881 . . 15 41 MET N 0.0433614 4.5125e-05 . . 16 42 VAL N 0.0486169 0.000363994 . . 17 43 ALA N 0.0451284 0.00237872 . . 18 47 GLY N 0.0569282 0.00210329 . . 19 48 LYS N 0.0362398 0.000694746 . . 20 53 VAL N 0.0519642 0.0028677 . . 21 54 ASP N 0.0458758 0.00891292 . . 22 57 VAL N 0.0472679 0.00176953 . . 23 58 ILE N 0.0533419 0.00228767 . . 24 59 VAL N 0.0519427 0.00175373 . . 25 60 ASP N 0.0509243 0.00193459 . . 26 61 CYS N 0.0448974 0.00386223 . . 27 65 TYR N 0.0488687 5.73156e-05 . . 28 66 GLU N 0.0425532 0.00512268 . . 29 67 TYR N 0.0424556 0.0021792 . . 30 72 ILE N 0.0493876 0.00494656 . . 31 74 THR N 0.0489165 0.000153141 . . 32 75 ALA N 0.0386309 0.00355627 . . 33 76 VAL N 0.0460257 0.00147438 . . 34 81 GLU N 0.0480469 0.00168752 . . 35 83 ASP N 0.0458905 0.00399075 . . 36 84 ALA N 0.0486547 0.00226549 . . 37 87 PHE N 0.0878966 0.00066442 . . 38 88 LEU N 0.053723 0.0026697 . . 39 90 LYS N 0.0470301 0.000586134 . . 40 91 SER N 0.0725953 0.000458497 . . 41 104 LEU N 0.0419006 0.00233854 . . 42 105 ILE N 0.0494805 0.00242383 . . 43 106 PHE N 0.047132 0.0037742 . . 44 118 MET N 0.043367 0.00136163 . . 45 119 CYS N 0.0442909 0.00106323 . . 46 121 PHE N 0.0552883 0.00162316 . . 47 122 ILE N 0.0502942 0.00180354 . . 48 126 ASP N 0.0492854 0.00138699 . . 49 127 ARG N 0.0487472 0.0164487 . . 50 128 ALA N 0.0442321 0.00135975 . . 51 129 VAL N 0.0579139 0.00335067 . . 52 130 ASN N 0.0493583 0.00081127 . . 53 131 ASP N 0.0505996 0.00246559 . . 54 132 TYR N 0.0530757 0.0014395 . . 55 140 MET N 0.0536308 0.00706986 . . 56 141 TYR N 0.060042 0.0125708 . . 57 142 ILE N 0.0477897 0.000107341 . . 58 143 LEU N 0.0456038 7.27897e-05 . . 59 145 GLY N 0.0471187 0.00331028 . . 60 149 GLU N 0.0549179 0.00238865 . . 61 150 PHE N 0.0455643 0.000525255 . . 62 153 GLN N 0.0551268 0.00346746 . . 63 156 ASN N 0.0566893 0.00194106 . . 64 158 CYS N 0.0460766 0.00116768 . . 65 159 GLU N 0.0453042 0.000974924 . . 66 162 ASP N 0.0458968 0.00295545 . . 67 163 TYR N 0.0498355 0.00245129 . . 68 166 MET N 0.051311 0.00211152 . . 69 168 HIS N 0.0453309 0.00150829 . . 70 169 GLU N 0.0272903 0.000108735 . . 71 170 ALA N 0.0298686 0.137137 . . 72 172 LYS N 0.0428725 0.00273869 . . 73 173 ASP N 0.0446588 0.000793775 . . 74 178 PHE N 0.0479524 0.00148773 . . 75 179 ARG N 0.0449539 0.00164296 . . 76 180 LEU N 0.0456225 0.00128007 . . 77 182 THR N 0.0457143 0.00318694 . . 78 183 ARG N 0.0583294 0.00259938 . . 79 186 ALA N 0.0893096 0.00370894 . . 80 188 GLU N 0.106746 0.00597087 . . 81 189 ARG N 0.103167 0.00634351 . . 82 193 GLU N 0.126678 0.00224664 . . 83 194 LEU N 0.149633 0.00443325 . . 84 198 LEU N 0.223564 0.00874662 . . 85 199 GLN N 0.276932 0.00337441 . . 86 200 ASP N 0.329056 0.0107195 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _Mol_system_component_name 'Cdc25B monomer' _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 PHE 0.321 0.021 7 GLN 0.287 0.019 8 SER 0.574 0.046 10 HIS 0.188 0.089 12 GLU 0.467 0.111 24 GLN 0.654 0.042 25 THR 0.735 0.032 26 VAL 0.860 0.038 27 ASP 0.733 0.018 28 GLY 0.671 0.028 29 LYS 0.717 0.037 30 HIS 0.806 0.040 31 GLN 0.689 0.046 32 ASP 0.783 0.042 33 LEU 0.782 0.023 34 LYS 0.816 0.059 35 TYR 0.791 0.043 36 ILE 0.849 0.041 37 SER 0.790 0.037 39 GLU 0.834 0.024 40 THR 0.866 0.034 41 MET 0.893 0.035 42 VAL 0.803 0.026 43 ALA 0.866 0.028 44 LEU 0.786 0.027 45 LEU 0.863 0.027 46 THR 0.839 0.037 47 GLY 0.741 0.030 48 LYS 0.781 0.031 49 PHE 0.777 0.037 50 SER 0.858 0.029 51 ASN 0.887 0.044 53 VAL 0.591 0.032 54 ASP 0.620 0.078 56 PHE 0.821 0.023 57 VAL 0.887 0.079 58 ILE 0.833 0.032 59 VAL 0.810 0.042 60 ASP 0.813 0.038 61 CYS 0.823 0.052 62 ARG 0.853 0.035 63 TYR 0.829 0.030 65 TYR 0.786 0.046 66 GLU 0.774 0.038 67 TYR 0.895 0.047 68 GLU 0.797 0.078 69 GLY 0.791 0.036 70 GLY 0.821 0.037 71 HIS 0.909 0.037 72 ILE 0.871 0.070 74 THR 0.826 0.068 75 ALA 0.794 0.054 76 VAL 0.921 0.039 77 ASN 0.831 0.028 78 LEU 0.849 0.040 80 LEU 0.763 0.033 81 GLU 0.844 0.056 82 ARG 0.870 0.044 83 ASP 0.759 0.035 84 ALA 0.703 0.031 85 GLU 0.845 0.034 86 SER 0.753 0.033 87 PHE 0.796 0.035 88 LEU 0.823 0.049 89 LEU 0.857 0.047 90 LYS 0.710 0.040 91 SER 0.603 0.031 103 ILE 0.765 0.056 104 LEU 0.864 0.043 105 ILE 0.786 0.030 106 PHE 0.832 0.052 107 HIS 0.804 0.031 117 ARG 0.844 0.033 118 MET 0.780 0.037 119 CYS 0.790 0.043 120 ARG 0.834 0.041 121 PHE 0.827 0.028 122 ILE 0.903 0.048 124 GLU 0.841 0.021 125 ARG 0.844 0.019 126 ASP 0.943 0.048 127 ARG 0.875 0.079 128 ALA 0.803 0.023 129 VAL 0.659 0.077 130 ASN 0.855 0.039 131 ASP 0.780 0.038 132 TYR 0.823 0.038 140 MET 0.994 0.099 141 TYR 0.772 0.068 142 ILE 0.807 0.047 143 LEU 0.830 0.034 144 LYS 0.881 0.067 145 GLY 0.884 0.053 146 GLY 0.815 0.054 148 LYS 0.850 0.038 149 GLU 0.797 0.033 150 PHE 0.824 0.032 151 PHE 0.811 0.031 153 GLN 0.776 0.035 154 HIS 0.831 0.030 156 ASN 0.864 0.030 157 PHE 0.825 0.025 158 CYS 0.794 0.027 159 GLU 0.809 0.035 161 GLN 0.806 0.027 162 ASP 0.850 0.030 163 TYR 0.815 0.029 164 ARG 0.909 0.078 166 MET 0.684 0.045 167 ASN 0.828 0.041 168 HIS 0.738 0.036 169 GLU 0.699 0.042 170 ALA 0.728 0.110 171 PHE 0.717 0.028 172 LYS 0.793 0.032 173 ASP 0.729 0.027 174 GLU 0.765 0.022 176 LYS 0.796 0.025 177 THR 0.818 0.033 178 PHE 0.743 0.033 179 ARG 0.790 0.040 180 LEU 0.721 0.022 181 LYS 0.725 0.033 182 THR 0.618 0.042 183 ARG 0.673 0.041 184 SER 0.509 0.034 185 TRP 0.556 0.030 186 ALA 0.455 0.036 187 GLY 0.401 0.043 188 GLU 0.362 0.022 189 ARG 0.334 0.020 193 GLU 0.302 0.028 197 ARG 0.438 0.086 198 LEU 0.128 0.017 201 GLN -0.274 0.020 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Software_label $ModelFree stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name 'Cdc25B monomer' _Tau_e_value_units . _Tau_s_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 6 PHE N . 0.224 0.012 . . . . . . . . . . . . 7 GLN N . 0.215 0.027 . . . . . . . . . . . . 10 HIS N . 0.357 0.014 . . . . . . . . . . . . 24 GLN N . 0.844 0.020 . . . . . . . . . . . . 26 VAL N . 0.958 0.012 . . . . . . . . . . . . 27 ASP N . 0.730 0.015 . . . . . . . . . . . . 28 GLY N . 0.703 0.005 . . . . . . . . . . . . 29 LYS N . 0.889 0.009 . . . . . . . . . . . . 33 LEU N . 0.963 0.009 . . . . . . . . . . . . 34 LYS N . 0.887 0.011 . . . . . . . . . . . . 35 TYR N . 0.994 0.012 . . . . . . . . . . . . 36 ILE N . 0.883 0.006 . . . . . . . . . . . . 40 THR N . 1.000 0.004 . . . . . . . . . . . . 41 MET N . 1.000 0.001 . . . . . . . . . . . . 42 VAL N . 0.957 0.005 . . . . . . . . . . . . 43 ALA N . 1.000 0.006 . . . . . . . . . . . . 47 GLY N . 0.834 0.031 . . . . . . . . . . . . 48 LYS N . 0.965 0.012 . . . . . . . . . . . . 53 VAL N . 0.898 0.012 . . . . . . . . . . . . 54 ASP N . 0.913 0.029 . . . . . . . . . . . . 57 VAL N . 0.978 0.021 . . . . . . . . . . . . 58 ILE N . 0.981 0.012 . . . . . . . . . . . . 59 VAL N . 0.930 0.016 . . . . . . . . . . . . 60 ASP N . 0.961 0.015 . . . . . . . . . . . . 61 CYS N . 0.931 0.019 . . . . . . . . . . . . 65 TYR N . 0.962 0.001 . . . . . . . . . . . . 66 GLU N . 1.000 0.010 . . . . . . . . . . . . 67 TYR N . 0.934 0.018 . . . . . . . . . . . . 72 ILE N . 1.000 0.022 . . . . . . . . . . . . 74 THR N . 0.810 0.032 . . . . . . . . . . . . 75 ALA N . 1.000 0.015 . . . . . . . . . . . . 76 VAL N . 1.000 0.007 . . . . . . . . . . . . 81 GLU N . 0.973 0.019 . . . . . . . . . . . . 83 ASP N . 0.951 0.011 . . . . . . . . . . . . 84 ALA N . 0.946 0.010 . . . . . . . . . . . . 88 LEU N . 0.927 0.018 . . . . . . . . . . . . 90 LYS N . 0.830 0.014 . . . . . . . . . . . . 91 SER N . 0.664 0.005 . . . . . . . . . . . . 104 LEU N . 1.000 0.009 . . . . . . . . . . . . 105 ILE N . 1.000 0.007 . . . . . . . . . . . . 106 PHE N . 0.935 0.022 . . . . . . . . . . . . 118 MET N . 0.947 0.017 . . . . . . . . . . . . 119 CYS N . 0.932 0.016 . . . . . . . . . . . . 121 PHE N . 0.959 0.011 . . . . . . . . . . . . 122 ILE N . 0.938 0.016 . . . . . . . . . . . . 126 ASP N . 0.998 0.010 . . . . . . . . . . . . 127 ARG N . 1.000 0.030 . . . . . . . . . . . . 128 ALA N . 0.940 0.010 . . . . . . . . . . . . 129 VAL N . 0.876 0.032 . . . . . . . . . . . . 130 ASN N . 0.968 0.010 . . . . . . . . . . . . 131 ASP N . 0.953 0.015 . . . . . . . . . . . . 132 TYR N . 0.917 0.015 . . . . . . . . . . . . 140 MET N . 0.918 0.041 . . . . . . . . . . . . 141 TYR N . 0.988 0.024 . . . . . . . . . . . . 142 ILE N . 0.912 0.023 . . . . . . . . . . . . 143 LEU N . 0.985 0.013 . . . . . . . . . . . . 145 GLY N . 1.000 0.015 . . . . . . . . . . . . 149 GLU N . 0.968 0.012 . . . . . . . . . . . . 150 PHE N . 0.970 0.011 . . . . . . . . . . . . 153 GLN N . 0.897 0.013 . . . . . . . . . . . . 156 ASN N . 1.000 0.006 . . . . . . . . . . . . 158 CYS N . 0.895 0.010 . . . . . . . . . . . . 159 GLU N . 1.000 0.006 . . . . . . . . . . . . 162 ASP N . 0.887 0.011 . . . . . . . . . . . . 163 TYR N . 0.804 0.009 . . . . . . . . . . . . 166 MET N . 0.902 0.021 . . . . . . . . . . . . 168 HIS N . 0.886 0.018 . . . . . . . . . . . . 169 GLU N . 0.955 0.017 . . . . . . . . . . . . 172 LYS N . 0.993 0.008 . . . . . . . . . . . . 173 ASP N . 0.958 0.008 . . . . . . . . . . . . 178 PHE N . 1.000 0.008 . . . . . . . . . . . . 179 ARG N . 1.000 0.008 . . . . . . . . . . . . 180 LEU N . 0.919 0.007 . . . . . . . . . . . . 182 THR N . 0.906 0.015 . . . . . . . . . . . . 183 ARG N . 0.856 0.015 . . . . . . . . . . . . 186 ALA N . 0.466 0.022 . . . . . . . . . . . . 188 GLU N . 0.382 0.026 . . . . . . . . . . . . 189 ARG N . 0.401 0.030 . . . . . . . . . . . . 193 GLU N . 0.336 0.007 . . . . . . . . . . . . 198 LEU N . 0.151 0.009 . . . . . . . . . . . . stop_ save_