data_19451 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignment of the PNUTS PP1 Binding Domain ; _BMRB_accession_number 19451 _BMRB_flat_file_name bmr19451.str _Entry_type original _Submission_date 2013-08-24 _Accession_date 2013-08-24 _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 Choy 'Meng Shyan' . . 2 Hieke Martina . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 64 "13C chemical shifts" 114 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-14 original author . stop_ _Original_release_date 2014-04-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Understanding the antagonism of retinoblastoma protein dephosphorylation by PNUTS provides insights into the PP1 regulatory code.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24591642 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Choy Meng S. . 2 Hieke Martina . . 3 Kumar 'Ganesan Senthil' . . 4 Lewis Greyson R. . 5 Gonzalez-Dewhitt Kristofer R. . 6 Kessler Rene P. . 7 Stein Benjamin J. . 8 Hessenberger Manuel . . 9 Nairn Angus C. . 10 Peti Wolfgang . . 11 Page Rebecca . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 111 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4097 _Page_last 4102 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PNUTS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PNUTS:PP1 Holoenzyme' $PNUTS 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_PNUTS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PNUTS _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Protein Phosphatase 1 nuclear-targeting subunit 10' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GAMGASDAKPVESPGDPNQL TRKGRKRKTVTWPEEGKLRE YFYFELDETERVNVNKIKDF GEAAKREILSDRHAFETARR LSHD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 370 GLY 2 371 ALA 3 372 MET 4 373 GLY 5 374 ALA 6 375 SER 7 376 ASP 8 377 ALA 9 378 LYS 10 379 PRO 11 380 VAL 12 381 GLU 13 382 SER 14 383 PRO 15 384 GLY 16 385 ASP 17 386 PRO 18 387 ASN 19 388 GLN 20 389 LEU 21 390 THR 22 391 ARG 23 392 LYS 24 393 GLY 25 394 ARG 26 395 LYS 27 396 ARG 28 397 LYS 29 398 THR 30 399 VAL 31 400 THR 32 401 TRP 33 402 PRO 34 403 GLU 35 404 GLU 36 405 GLY 37 406 LYS 38 407 LEU 39 408 ARG 40 409 GLU 41 410 TYR 42 411 PHE 43 412 TYR 44 413 PHE 45 414 GLU 46 415 LEU 47 416 ASP 48 417 GLU 49 418 THR 50 419 GLU 51 420 ARG 52 421 VAL 53 422 ASN 54 423 VAL 55 424 ASN 56 425 LYS 57 426 ILE 58 427 LYS 59 428 ASP 60 429 PHE 61 430 GLY 62 431 GLU 63 432 ALA 64 433 ALA 65 434 LYS 66 435 ARG 67 436 GLU 68 437 ILE 69 438 LEU 70 439 SER 71 440 ASP 72 441 ARG 73 442 HIS 74 443 ALA 75 444 PHE 76 445 GLU 77 446 THR 78 447 ALA 79 448 ARG 80 449 ARG 81 450 LEU 82 451 SER 83 452 HIS 84 453 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 DBJ BAB63324 "FB19 [Homo sapiens]" 96.43 940 97.53 98.77 8.18e-46 DBJ BAC54929 "protein phosphatase 1, regulatory subunit 10 [Homo sapiens]" 96.43 940 97.53 98.77 8.18e-46 DBJ BAC78178 "FB19 [Pan troglodytes]" 96.43 940 97.53 98.77 8.34e-46 DBJ BAD08440 "protein phosphatase 1, regulatory subunit 10 [Sus scrofa]" 96.43 925 97.53 98.77 1.48e-45 DBJ BAD69765 "protein phosphatase 1 [Macaca mulatta]" 96.43 940 97.53 98.77 8.10e-46 EMBL CAA73697 "FB19 protein [Homo sapiens]" 96.43 940 97.53 98.77 8.59e-46 EMBL CAD44294 "protein phosphatase I [Mus musculus]" 96.43 874 97.53 98.77 1.05e-45 EMBL CAD67521 "protein phospahatase nuclear targeting subunit [Homo sapiens]" 96.43 940 97.53 98.77 8.18e-46 EMBL CAE84038 "protein phosphatase 1, regulatory subunit 10 [Rattus norvegicus]" 96.43 620 98.77 98.77 2.28e-47 GB AAB96775 "putative protein phosphatase 1 nuclear targeting subunit [Rattus norvegicus]" 96.43 872 98.77 98.77 2.89e-46 GB AAH29765 "Ppp1r10 protein, partial [Mus musculus]" 96.43 623 97.53 98.77 6.57e-47 GB AAH52059 "Ppp1r10 protein [Mus musculus]" 96.43 888 97.53 98.77 9.47e-46 GB AAI34806 "Protein phosphatase 1, regulatory subunit 10 [Rattus norvegicus]" 96.43 872 98.77 98.77 2.89e-46 GB AAI36295 "Protein phosphatase 1, regulatory (inhibitor) subunit 10 [Homo sapiens]" 96.43 940 97.53 98.77 8.18e-46 REF NP_001038965 "serine/threonine-protein phosphatase 1 regulatory subunit 10 [Pan troglodytes]" 96.43 940 97.53 98.77 8.34e-46 REF NP_001108416 "serine/threonine-protein phosphatase 1 regulatory subunit 10 [Macaca mulatta]" 96.43 940 97.53 98.77 8.10e-46 REF NP_001116637 "serine/threonine-protein phosphatase 1 regulatory subunit 10 [Sus scrofa]" 96.43 925 97.53 98.77 1.48e-45 REF NP_001157290 "serine/threonine-protein phosphatase 1 regulatory subunit 10 [Mus musculus]" 96.43 888 97.53 98.77 9.47e-46 REF NP_002705 "serine/threonine-protein phosphatase 1 regulatory subunit 10 [Homo sapiens]" 96.43 940 97.53 98.77 8.18e-46 SP O55000 "RecName: Full=Serine/threonine-protein phosphatase 1 regulatory subunit 10; AltName: Full=MHC class I region proline-rich prote" 96.43 872 98.77 98.77 2.89e-46 SP Q5TM61 "RecName: Full=Serine/threonine-protein phosphatase 1 regulatory subunit 10; AltName: Full=MHC class I region proline-rich prote" 96.43 940 97.53 98.77 8.10e-46 SP Q767K9 "RecName: Full=Serine/threonine-protein phosphatase 1 regulatory subunit 10; AltName: Full=MHC class I region proline-rich prote" 96.43 925 97.53 98.77 1.48e-45 SP Q7YR38 "RecName: Full=Serine/threonine-protein phosphatase 1 regulatory subunit 10; AltName: Full=MHC class I region proline-rich prote" 96.43 940 97.53 98.77 8.34e-46 SP Q80W00 "RecName: Full=Serine/threonine-protein phosphatase 1 regulatory subunit 10; AltName: Full=MHC class I region proline-rich prote" 96.43 888 97.53 98.77 9.47e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PNUTS 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $PNUTS 'recombinant technology' . Escherichia coli . pET-M30-GST 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 $PNUTS 1 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PNUTS 1 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Keller and Wuthrich' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 'CARA 1.8.2' loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM Na-phosphate pH 6.5, 50 mM NaCl, 0.5 mM TCEP, 10% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . 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 . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PNUTS:PP1 Holoenzyme' _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 1 372 3 MET H H 8.501 0.020 1 2 372 3 MET CA C 55.624 0.300 1 3 372 3 MET CB C 32.606 0.300 1 4 372 3 MET N N 119.867 0.300 1 5 373 4 GLY H H 8.391 0.020 1 6 373 4 GLY CA C 45.190 0.300 1 7 373 4 GLY N N 110.743 0.300 1 8 374 5 ALA H H 8.119 0.020 1 9 374 5 ALA CA C 52.643 0.300 1 10 374 5 ALA CB C 19.369 0.300 1 11 374 5 ALA N N 123.796 0.300 1 12 375 6 SER H H 8.317 0.020 1 13 375 6 SER CA C 58.474 0.300 1 14 375 6 SER CB C 63.893 0.300 1 15 375 6 SER N N 115.004 0.300 1 16 376 7 ASP H H 8.185 0.020 1 17 376 7 ASP CA C 54.243 0.300 1 18 376 7 ASP CB C 41.087 0.300 1 19 376 7 ASP N N 122.075 0.300 1 20 377 8 ALA H H 7.984 0.020 1 21 377 8 ALA CA C 52.336 0.300 1 22 377 8 ALA CB C 19.312 0.300 1 23 377 8 ALA N N 123.651 0.300 1 24 378 9 LYS H H 8.164 0.020 1 25 378 9 LYS CA C 54.178 0.300 1 26 378 9 LYS CB C 32.434 0.300 1 27 378 9 LYS N N 122.141 0.300 1 28 380 11 VAL H H 8.171 0.020 1 29 380 11 VAL CA C 62.376 0.300 1 30 380 11 VAL CB C 32.549 0.300 1 31 380 11 VAL N N 120.602 0.300 1 32 381 12 GLU H H 8.395 0.020 1 33 381 12 GLU CA C 56.260 0.300 1 34 381 12 GLU CB C 30.543 0.300 1 35 381 12 GLU N N 124.750 0.300 1 36 382 13 SER H H 8.398 0.020 1 37 382 13 SER CA C 56.216 0.300 1 38 382 13 SER CB C 63.492 0.300 1 39 382 13 SER N N 118.580 0.300 1 40 384 15 GLY H H 8.260 0.020 1 41 384 15 GLY CA C 44.883 0.300 1 42 384 15 GLY N N 108.836 0.300 1 43 385 16 ASP H H 8.048 0.020 1 44 385 16 ASP CA C 51.898 0.300 1 45 385 16 ASP CB C 41.774 0.300 1 46 385 16 ASP N N 121.633 0.300 1 47 387 18 ASN H H 8.468 0.020 1 48 387 18 ASN CA C 53.936 0.300 1 49 387 18 ASN CB C 38.565 0.300 1 50 387 18 ASN N N 116.943 0.300 1 51 388 19 GLN H H 7.893 0.020 1 52 388 19 GLN CA C 56.589 0.300 1 53 388 19 GLN CB C 28.996 0.300 1 54 388 19 GLN N N 119.178 0.300 1 55 389 20 LEU H H 8.056 0.020 1 56 389 20 LEU CA C 56.041 0.300 1 57 389 20 LEU CB C 41.660 0.300 1 58 389 20 LEU N N 121.277 0.300 1 59 390 21 THR H H 7.913 0.020 1 60 390 21 THR CA C 62.157 0.300 1 61 390 21 THR CB C 69.680 0.300 1 62 390 21 THR N N 113.302 0.300 1 63 391 22 ARG H H 8.090 0.020 1 64 391 22 ARG CA C 56.479 0.300 1 65 391 22 ARG CB C 30.600 0.300 1 66 391 22 ARG N N 122.691 0.300 1 67 392 23 LYS H H 7.907 0.020 1 68 392 23 LYS CA C 56.764 0.300 1 69 392 23 LYS CB C 32.778 0.300 1 70 392 23 LYS N N 119.463 0.300 1 71 393 24 GLY H H 8.314 0.020 1 72 393 24 GLY CA C 45.431 0.300 1 73 393 24 GLY N N 109.788 0.300 1 74 394 25 ARG H H 8.052 0.020 1 75 394 25 ARG CA C 55.975 0.300 1 76 394 25 ARG CB C 31.059 0.300 1 77 394 25 ARG N N 120.352 0.300 1 78 395 26 LYS H H 8.348 0.020 1 79 395 26 LYS CA C 56.172 0.300 1 80 395 26 LYS CB C 33.179 0.300 1 81 395 26 LYS N N 123.053 0.300 1 82 396 27 ARG H H 8.375 0.020 1 83 396 27 ARG N N 122.854 0.300 1 84 397 28 LYS H H 8.412 0.020 1 85 397 28 LYS CA C 56.194 0.300 1 86 397 28 LYS CB C 33.236 0.300 1 87 397 28 LYS N N 123.324 0.300 1 88 398 29 THR H H 8.144 0.020 1 89 398 29 THR CA C 61.762 0.300 1 90 398 29 THR N N 116.410 0.300 1 91 399 30 VAL H H 8.151 0.020 1 92 399 30 VAL CA C 61.455 0.300 1 93 399 30 VAL N N 117.987 0.300 1 94 400 31 THR H H 7.957 0.020 1 95 400 31 THR CA C 62.091 0.300 1 96 400 31 THR N N 117.553 0.300 1 97 403 34 GLU H H 8.363 0.020 1 98 403 34 GLU CA C 56.986 0.300 1 99 403 34 GLU CB C 30.314 0.300 1 100 403 34 GLU N N 120.510 0.300 1 101 404 35 GLU H H 8.077 0.020 1 102 404 35 GLU CA C 56.329 0.300 1 103 404 35 GLU CB C 30.724 0.300 1 104 404 35 GLU N N 121.623 0.300 1 105 405 36 GLY H H 8.396 0.020 1 106 405 36 GLY CA C 45.560 0.300 1 107 405 36 GLY N N 109.169 0.300 1 108 407 38 LEU H H 7.875 0.020 1 109 407 38 LEU CA C 52.272 0.300 1 110 407 38 LEU CB C 42.143 0.300 1 111 407 38 LEU N N 120.369 0.300 1 112 416 47 ASP H H 8.363 0.020 1 113 416 47 ASP CA C 54.397 0.300 1 114 416 47 ASP CB C 41.373 0.300 1 115 416 47 ASP N N 121.427 0.300 1 116 417 48 GLU H H 8.477 0.020 1 117 417 48 GLU CA C 57.663 0.300 1 118 417 48 GLU CB C 30.027 0.300 1 119 417 48 GLU N N 121.649 0.300 1 120 418 49 THR H H 8.144 0.020 1 121 418 49 THR CA C 63.472 0.300 1 122 418 49 THR CB C 69.565 0.300 1 123 418 49 THR N N 113.784 0.300 1 124 419 50 GLU H H 8.133 0.020 1 125 419 50 GLU CA C 56.961 0.300 1 126 419 50 GLU CB C 30.256 0.300 1 127 419 50 GLU N N 121.921 0.300 1 128 421 52 VAL H H 7.909 0.020 1 129 421 52 VAL CA C 62.792 0.300 1 130 421 52 VAL CB C 32.606 0.300 1 131 421 52 VAL N N 119.485 0.300 1 132 422 53 ASN H H 8.287 0.020 1 133 422 53 ASN CA C 53.301 0.300 1 134 422 53 ASN CB C 38.680 0.300 1 135 422 53 ASN N N 121.690 0.300 1 136 423 54 VAL H H 8.011 0.020 1 137 423 54 VAL CA C 63.099 0.300 1 138 423 54 VAL CB C 32.319 0.300 1 139 423 54 VAL N N 120.025 0.300 1 140 424 55 ASN H H 8.283 0.020 1 141 424 55 ASN CA C 53.695 0.300 1 142 424 55 ASN CB C 38.737 0.300 1 143 424 55 ASN N N 120.534 0.300 1 144 425 56 LYS H H 7.981 0.020 1 145 425 56 LYS CA C 56.633 0.300 1 146 425 56 LYS CB C 32.950 0.300 1 147 425 56 LYS N N 121.023 0.300 1 148 426 57 ILE H H 7.906 0.020 1 149 426 57 ILE CA C 61.521 0.300 1 150 426 57 ILE CB C 38.221 0.300 1 151 426 57 ILE N N 121.245 0.300 1 152 427 58 LYS H H 8.149 0.020 1 153 427 58 LYS CA C 56.633 0.300 1 154 427 58 LYS CB C 33.007 0.300 1 155 427 58 LYS N N 124.633 0.300 1 156 428 59 ASP H H 8.064 0.020 1 157 428 59 ASP CA C 54.265 0.300 1 158 428 59 ASP CB C 41.373 0.300 1 159 428 59 ASP N N 120.766 0.300 1 160 429 60 PHE H H 8.173 0.020 1 161 429 60 PHE CA C 58.255 0.300 1 162 429 60 PHE CB C 39.167 0.300 1 163 429 60 PHE N N 121.135 0.300 1 164 430 61 GLY H H 8.311 0.020 1 165 430 61 GLY CA C 45.475 0.300 1 166 430 61 GLY N N 109.803 0.300 1 167 431 62 GLU H H 8.172 0.020 1 168 431 62 GLU CA C 57.137 0.300 1 169 431 62 GLU CB C 30.085 0.300 1 170 431 62 GLU N N 120.769 0.300 1 171 432 63 ALA H H 8.227 0.020 1 172 432 63 ALA CA C 53.432 0.300 1 173 432 63 ALA CB C 19.255 0.300 1 174 432 63 ALA N N 123.753 0.300 1 175 433 64 ALA H H 7.980 0.020 1 176 433 64 ALA CA C 53.082 0.300 1 177 433 64 ALA CB C 19.052 0.300 1 178 433 64 ALA N N 121.608 0.300 1 179 434 65 LYS H H 7.912 0.020 1 180 434 65 LYS N N 119.312 0.300 1 181 435 66 ARG H H 8.346 0.020 1 182 435 66 ARG CA C 56.041 0.300 1 183 435 66 ARG CB C 30.944 0.300 1 184 435 66 ARG N N 122.898 0.300 1 185 436 67 GLU H H 7.902 0.020 1 186 436 67 GLU CA C 57.948 0.300 1 187 436 67 GLU CB C 33.465 0.300 1 188 436 67 GLU N N 127.502 0.300 1 189 438 69 LEU H H 8.168 0.020 1 190 438 69 LEU CA C 55.260 0.300 1 191 438 69 LEU CB C 42.171 0.300 1 192 438 69 LEU N N 124.983 0.300 1 193 439 70 SER H H 8.106 0.020 1 194 439 70 SER CA C 58.715 0.300 1 195 439 70 SER CB C 63.835 0.300 1 196 439 70 SER N N 115.995 0.300 1 197 442 73 HIS H H 8.258 0.020 1 198 442 73 HIS CA C 56.940 0.300 1 199 442 73 HIS CB C 29.512 0.300 1 200 442 73 HIS N N 118.955 0.300 1 201 443 74 ALA H H 8.054 0.020 1 202 443 74 ALA CA C 53.520 0.300 1 203 443 74 ALA CB C 19.255 0.300 1 204 443 74 ALA N N 123.791 0.300 1 205 444 75 PHE H H 8.030 0.020 1 206 444 75 PHE CA C 58.540 0.300 1 207 444 75 PHE CB C 39.253 0.300 1 208 444 75 PHE N N 118.412 0.300 1 209 445 76 GLU H H 8.173 0.020 1 210 445 76 GLU CA C 57.290 0.300 1 211 445 76 GLU CB C 30.199 0.300 1 212 445 76 GLU N N 120.844 0.300 1 213 446 77 THR H H 8.013 0.020 1 214 446 77 THR CA C 63.165 0.300 1 215 446 77 THR CB C 69.565 0.300 1 216 446 77 THR N N 114.894 0.300 1 217 447 78 ALA H H 8.016 0.020 1 218 447 78 ALA CA C 53.063 0.300 1 219 447 78 ALA CB C 19.083 0.300 1 220 447 78 ALA N N 125.051 0.300 1 221 448 79 ARG H H 7.995 0.020 1 222 448 79 ARG CA C 56.479 0.300 1 223 448 79 ARG CB C 30.543 0.300 1 224 448 79 ARG N N 119.413 0.300 1 225 449 80 ARG H H 8.214 0.020 1 226 449 80 ARG N N 121.577 0.300 1 227 450 81 LEU H H 8.145 0.020 1 228 450 81 LEU CA C 55.164 0.300 1 229 450 81 LEU CB C 42.233 0.300 1 230 450 81 LEU N N 122.667 0.300 1 231 451 82 SER H H 8.027 0.020 1 232 451 82 SER CA C 58.145 0.300 1 233 451 82 SER CB C 63.893 0.300 1 234 451 82 SER N N 115.698 0.300 1 235 452 83 HIS H H 8.181 0.020 1 236 452 83 HIS CA C 55.361 0.300 1 237 452 83 HIS CB C 29.970 0.300 1 238 452 83 HIS N N 119.910 0.300 1 239 453 84 ASP H H 8.115 0.020 1 240 453 84 ASP CA C 55.931 0.300 1 241 453 84 ASP CB C 41.946 0.300 1 242 453 84 ASP N N 126.612 0.300 1 stop_ save_