data_26920 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignment of the TPR2B domain of mouse STI1 ; _BMRB_accession_number 26920 _BMRB_flat_file_name bmr26920.str _Entry_type original _Submission_date 2016-10-19 _Accession_date 2016-10-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Choy Wing-Yiu . . 2 Maciejewski Andrzej . . 3 Prado Marco A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 122 "13C chemical shifts" 247 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18689 'Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR2A domain of mouse STI1' 18691 'Backbone 1H, 13C, and 15N backbone resonance assignments of the TPR1 domain of mouse STI1' stop_ _Original_release_date 2016-10-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for the interaction between stress-inducible phosphoprotein 1 (STIP1) and S100A1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28408431 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maciejewski Andrzej . . 2 Prado Vania F. . 3 Prado Marco . . 4 Choy Wing-Yiu Y. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 474 _Journal_issue 11 _Journal_ISSN 1470-8728 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1853 _Page_last 1866 _Year 2017 _Details . loop_ _Keyword NMR STI1 TPR2B stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TPR2B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TPR2B $TPR2B stop_ _System_molecular_weight 15795.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TPR2B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TPR2B _Molecular_mass 15795.8 _Mol_thiol_state 'all free' loop_ _Biological_function co-chaperone stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GQERLAYINPDLALEEKNKG NECFQKGDYPQAMKHYTEAI KRNPRDAKLYSNRAACYTKL LEFQLALKDCEECIQLEPTF IKGYTRKAAALEAMKDYTKA MDVYQKALDLDSSCKEAADG YQRCMMAQYNRHDSPED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 348 GLY 2 349 GLN 3 350 GLU 4 351 ARG 5 352 LEU 6 353 ALA 7 354 TYR 8 355 ILE 9 356 ASN 10 357 PRO 11 358 ASP 12 359 LEU 13 360 ALA 14 361 LEU 15 362 GLU 16 363 GLU 17 364 LYS 18 365 ASN 19 366 LYS 20 367 GLY 21 368 ASN 22 369 GLU 23 370 CYS 24 371 PHE 25 372 GLN 26 373 LYS 27 374 GLY 28 375 ASP 29 376 TYR 30 377 PRO 31 378 GLN 32 379 ALA 33 380 MET 34 381 LYS 35 382 HIS 36 383 TYR 37 384 THR 38 385 GLU 39 386 ALA 40 387 ILE 41 388 LYS 42 389 ARG 43 390 ASN 44 391 PRO 45 392 ARG 46 393 ASP 47 394 ALA 48 395 LYS 49 396 LEU 50 397 TYR 51 398 SER 52 399 ASN 53 400 ARG 54 401 ALA 55 402 ALA 56 403 CYS 57 404 TYR 58 405 THR 59 406 LYS 60 407 LEU 61 408 LEU 62 409 GLU 63 410 PHE 64 411 GLN 65 412 LEU 66 413 ALA 67 414 LEU 68 415 LYS 69 416 ASP 70 417 CYS 71 418 GLU 72 419 GLU 73 420 CYS 74 421 ILE 75 422 GLN 76 423 LEU 77 424 GLU 78 425 PRO 79 426 THR 80 427 PHE 81 428 ILE 82 429 LYS 83 430 GLY 84 431 TYR 85 432 THR 86 433 ARG 87 434 LYS 88 435 ALA 89 436 ALA 90 437 ALA 91 438 LEU 92 439 GLU 93 440 ALA 94 441 MET 95 442 LYS 96 443 ASP 97 444 TYR 98 445 THR 99 446 LYS 100 447 ALA 101 448 MET 102 449 ASP 103 450 VAL 104 451 TYR 105 452 GLN 106 453 LYS 107 454 ALA 108 455 LEU 109 456 ASP 110 457 LEU 111 458 ASP 112 459 SER 113 460 SER 114 461 CYS 115 462 LYS 116 463 GLU 117 464 ALA 118 465 ALA 119 466 ASP 120 467 GLY 121 468 TYR 122 469 GLN 123 470 ARG 124 471 CYS 125 472 MET 126 473 MET 127 474 ALA 128 475 GLN 129 476 TYR 130 477 ASN 131 478 ARG 132 479 HIS 133 480 ASP 134 481 SER 135 482 PRO 136 483 GLU 137 484 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $TPR2B Mouse 10090 Eukaryota Metazoa Mus musculus STIP1 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 $TPR2B 'recombinant technology' . Escherichia coli BL21 pDEST17 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 $TPR2B 500 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' DSS 100 uM '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_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 150 . mM pH 7 . 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_ _Software_label $NMRPipe $VNMRJ stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' 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 TPR2B _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 1 350 3 GLU H H 8.822 0.02 1 2 350 3 GLU CA C 57.165 0.3 1 3 350 3 GLU CB C 29.862 0.3 1 4 350 3 GLU N N 122.885 0.3 1 5 351 4 ARG H H 8.439 0.02 1 6 351 4 ARG CA C 56.567 0.3 1 7 351 4 ARG CB C 30.59 0.3 1 8 351 4 ARG N N 121.979 0.3 1 9 352 5 LEU H H 8.22 0.02 1 10 352 5 LEU CA C 55.404 0.3 1 11 352 5 LEU CB C 42.298 0.3 1 12 352 5 LEU N N 123.112 0.3 1 13 353 6 ALA H H 8.207 0.02 1 14 353 6 ALA CA C 52.819 0.3 1 15 353 6 ALA CB C 19.359 0.3 1 16 353 6 ALA N N 123.905 0.3 1 17 354 7 TYR H H 8.043 0.02 1 18 354 7 TYR CA C 58.229 0.3 1 19 354 7 TYR CB C 39.356 0.3 1 20 354 7 TYR N N 119.033 0.3 1 21 355 8 ILE H H 7.721 0.02 1 22 355 8 ILE CA C 61.012 0.3 1 23 355 8 ILE CB C 38.801 0.3 1 24 355 8 ILE N N 121.865 0.3 1 25 356 9 ASN H H 8.726 0.02 1 26 356 9 ASN CA C 51.453 0.3 1 27 356 9 ASN CB C 39.209 0.3 1 28 356 9 ASN N N 123.451 0.3 1 29 357 10 PRO CA C 64.27 0.3 1 30 357 10 PRO CB C 32.291 0.3 1 31 358 11 ASP H H 8.22 0.02 1 32 358 11 ASP CA C 55.81 0.3 1 33 358 11 ASP CB C 40.566 0.3 1 34 358 11 ASP N N 119.26 0.3 1 35 359 12 LEU H H 7.906 0.02 1 36 359 12 LEU CA C 56.954 0.3 1 37 359 12 LEU CB C 41.871 0.3 1 38 359 12 LEU N N 122.205 0.3 1 39 360 13 ALA H H 8.186 0.02 1 40 360 13 ALA CA C 54.963 0.3 1 41 360 13 ALA CB C 19.757 0.3 1 42 360 13 ALA N N 120.846 0.3 1 43 361 14 LEU H H 7.591 0.02 1 44 361 14 LEU CA C 57.866 0.3 1 45 361 14 LEU CB C 42.018 0.3 1 46 361 14 LEU N N 118.58 0.3 1 47 362 15 GLU H H 7.913 0.02 1 48 362 15 GLU CA C 59.56 0.3 1 49 362 15 GLU CB C 29.798 0.3 1 50 362 15 GLU N N 118.354 0.3 1 51 363 16 GLU H H 8.056 0.02 1 52 363 16 GLU CA C 59.262 0.3 1 53 363 16 GLU CB C 29.275 0.3 1 54 363 16 GLU N N 118.24 0.3 1 55 364 17 LYS H H 7.373 0.02 1 56 364 17 LYS CA C 60.315 0.3 1 57 364 17 LYS CB C 33.115 0.3 1 58 364 17 LYS N N 124.471 0.3 1 59 366 19 LYS H H 7.998 0.02 1 60 366 19 LYS CA C 59.802 0.3 1 61 366 19 LYS CB C 31.294 0.3 1 62 366 19 LYS N N 121.652 0.3 1 63 367 20 GLY H H 8.487 0.02 1 64 367 20 GLY CA C 48.188 0.3 1 65 367 20 GLY N N 108.045 0.3 1 66 368 21 ASN H H 8.733 0.02 1 67 368 21 ASN CA C 55.874 0.3 1 68 368 21 ASN CB C 37.575 0.3 1 69 368 21 ASN N N 120.844 0.3 1 70 369 22 GLU H H 8.125 0.02 1 71 369 22 GLU CA C 59.802 0.3 1 72 369 22 GLU CB C 29.556 0.3 1 73 369 22 GLU N N 121.865 0.3 1 74 370 23 CYS H H 8.049 0.02 1 75 370 23 CYS CA C 64.158 0.3 1 76 370 23 CYS CB C 26.774 0.3 1 77 370 23 CYS N N 116.655 0.3 1 78 371 24 PHE H H 9.205 0.02 1 79 371 24 PHE CA C 62.425 0.3 1 80 371 24 PHE CB C 40.427 0.3 1 81 371 24 PHE N N 122.319 0.3 1 82 372 25 GLN H H 8.501 0.02 1 83 372 25 GLN CA C 58.713 0.3 1 84 372 25 GLN CB C 28.467 0.3 1 85 372 25 GLN N N 119.033 0.3 1 86 373 26 LYS H H 7.284 0.02 1 87 373 26 LYS CA C 56.415 0.3 1 88 373 26 LYS CB C 33.065 0.3 1 89 373 26 LYS N N 115.408 0.3 1 90 374 27 GLY H H 7.509 0.02 1 91 374 27 GLY CA C 44.679 0.3 1 92 374 27 GLY N N 107.592 0.3 1 93 375 28 ASP H H 7.844 0.02 1 94 375 28 ASP CA C 51.016 0.3 1 95 375 28 ASP CB C 39.227 0.3 1 96 375 28 ASP N N 120.846 0.3 1 97 376 29 TYR H H 7.188 0.02 1 98 376 29 TYR CA C 62.222 0.3 1 99 376 29 TYR CB C 35.726 0.3 1 100 376 29 TYR N N 120.053 0.3 1 101 377 30 PRO CA C 66.335 0.3 1 102 377 30 PRO CB C 31.242 0.3 1 103 378 31 GLN H H 7.202 0.02 1 104 378 31 GLN CA C 57.866 0.3 1 105 378 31 GLN CB C 28.83 0.3 1 106 378 31 GLN N N 116.428 0.3 1 107 379 32 ALA H H 8.4 0.02 1 108 379 32 ALA CB C 18.977 0.3 1 109 379 32 ALA N N 120.842 0.3 1 110 380 33 MET H H 8.432 0.02 1 111 380 33 MET CA C 59.613 0.3 1 112 380 33 MET CB C 31.492 0.3 1 113 380 33 MET N N 115.862 0.3 1 114 381 34 LYS H H 7.503 0.02 1 115 381 34 LYS CA C 60.134 0.3 1 116 381 34 LYS CB C 32.029 0.3 1 117 381 34 LYS N N 122.545 0.3 1 118 382 35 HIS H H 7.762 0.02 1 119 382 35 HIS CA C 59.694 0.3 1 120 382 35 HIS CB C 28.256 0.3 1 121 382 35 HIS N N 119.033 0.3 1 122 383 36 TYR H H 9.116 0.02 1 123 383 36 TYR CA C 59.858 0.3 1 124 383 36 TYR CB C 37.299 0.3 1 125 383 36 TYR N N 117.108 0.3 1 126 384 37 THR H H 8.425 0.02 1 127 384 37 THR CA C 67.367 0.3 1 128 384 37 THR CB C 68.876 0.3 1 129 384 37 THR N N 116.315 0.3 1 130 386 39 ALA H H 8.62 0.02 1 131 386 39 ALA CA C 55.874 0.3 1 132 386 39 ALA CB C 19.195 0.3 1 133 386 39 ALA N N 121.638 0.3 1 134 387 40 ILE H H 8.227 0.02 1 135 387 40 ILE CA C 64.762 0.3 1 136 387 40 ILE CB C 38.872 0.3 1 137 387 40 ILE N N 120.053 0.3 1 138 388 41 LYS H H 7.503 0.02 1 139 388 41 LYS CA C 59.318 0.3 1 140 388 41 LYS CB C 32.702 0.3 1 141 388 41 LYS N N 117.334 0.3 1 142 389 42 ARG H H 7.338 0.02 1 143 389 42 ARG CA C 56.657 0.3 1 144 389 42 ARG CB C 31.129 0.3 1 145 389 42 ARG N N 114.389 0.3 1 146 390 43 ASN H H 8.077 0.02 1 147 390 43 ASN CA C 51.212 0.3 1 148 390 43 ASN CB C 38.388 0.3 1 149 390 43 ASN N N 114.616 0.3 1 150 391 44 PRO CA C 64.166 0.3 1 151 392 45 ARG H H 7.912 0.02 1 152 392 45 ARG CA C 55.205 0.3 1 153 392 45 ARG CB C 29.435 0.3 1 154 392 45 ARG N N 117.792 0.3 1 155 393 46 ASP H H 7.318 0.02 1 156 393 46 ASP CA C 53.027 0.3 1 157 393 46 ASP CB C 40.687 0.3 1 158 393 46 ASP N N 119.26 0.3 1 159 394 47 ALA H H 8.637 0.02 1 160 394 47 ALA CA C 55.931 0.3 1 161 394 47 ALA CB C 20.56 0.3 1 162 394 47 ALA N N 128.322 0.3 1 163 395 48 LYS H H 7.995 0.02 1 164 395 48 LYS CA C 59.681 0.3 1 165 395 48 LYS CB C 31.613 0.3 1 166 395 48 LYS N N 113.483 0.3 1 167 396 49 LEU H H 7.345 0.02 1 168 396 49 LEU CA C 57.503 0.3 1 169 396 49 LEU CB C 42.26 0.3 1 170 396 49 LEU N N 117.334 0.3 1 171 397 50 TYR H H 6.935 0.02 1 172 397 50 TYR CA C 62.222 0.3 1 173 397 50 TYR CB C 38.388 0.3 1 174 397 50 TYR N N 116.315 0.3 1 175 398 51 SER H H 7.708 0.02 1 176 398 51 SER CA C 61.653 0.3 1 177 398 51 SER CB C 63.19 0.3 1 178 398 51 SER N N 112.803 0.3 1 179 399 52 ASN H H 7.769 0.02 1 180 399 52 ASN CA C 55.689 0.3 1 181 399 52 ASN CB C 36.694 0.3 1 182 399 52 ASN N N 119.487 0.3 1 183 400 53 ARG H H 8.282 0.02 1 184 400 53 ARG CA C 61.939 0.3 1 185 400 53 ARG CB C 29.786 0.3 1 186 400 53 ARG N N 122.092 0.3 1 187 401 54 ALA H H 8.897 0.02 1 188 401 54 ALA CA C 56.365 0.3 1 189 401 54 ALA CB C 20.241 0.3 1 190 401 54 ALA N N 122.545 0.3 1 191 402 55 ALA H H 7.66 0.02 1 192 402 55 ALA CA C 55.384 0.3 1 193 402 55 ALA CB C 18.063 0.3 1 194 402 55 ALA N N 120.28 0.3 1 195 403 56 CYS H H 7.619 0.02 1 196 403 56 CYS CA C 63.674 0.3 1 197 403 56 CYS CB C 27.379 0.3 1 198 403 56 CYS N N 117.221 0.3 1 199 404 57 TYR H H 8.829 0.02 1 200 404 57 TYR CA C 61.254 0.3 1 201 404 57 TYR CB C 37.541 0.3 1 202 404 57 TYR N N 118.58 0.3 1 203 406 59 LYS H H 7.393 0.02 1 204 406 59 LYS CA C 57.382 0.3 1 205 406 59 LYS CB C 31.976 0.3 1 206 406 59 LYS N N 122.205 0.3 1 207 407 60 LEU H H 7.421 0.02 1 208 407 60 LEU CA C 54.842 0.3 1 209 407 60 LEU CB C 42.018 0.3 1 210 407 60 LEU N N 117.561 0.3 1 211 408 61 LEU H H 7.441 0.02 1 212 408 61 LEU CA C 55.689 0.3 1 213 408 61 LEU CB C 37.42 0.3 1 214 408 61 LEU N N 113.369 0.3 1 215 409 62 GLU H H 8.056 0.02 1 216 409 62 GLU CA C 53.148 0.3 1 217 409 62 GLU CB C 28.225 0.3 1 218 409 62 GLU N N 120.959 0.3 1 219 410 63 PHE H H 6.894 0.02 1 220 410 63 PHE CA C 61.133 0.3 1 221 410 63 PHE CB C 38.751 0.3 1 222 410 63 PHE N N 118.694 0.3 1 223 411 64 GLN H H 8.487 0.02 1 224 411 64 GLN CA C 59.439 0.3 1 225 411 64 GLN CB C 27.5 0.3 1 226 411 64 GLN N N 116.655 0.3 1 227 412 65 LEU H H 7.58 0.02 1 228 412 65 LEU CA C 57.624 0.3 1 229 412 65 LEU CB C 38.388 0.3 1 230 412 65 LEU N N 119.895 0.3 1 231 413 66 ALA H H 8.001 0.02 1 232 413 66 ALA CA C 55.961 0.3 1 233 413 66 ALA CB C 19.152 0.3 1 234 413 66 ALA N N 121.242 0.3 1 235 414 67 LEU H H 8.439 0.02 1 236 414 67 LEU CA C 58.713 0.3 1 237 414 67 LEU CB C 41.413 0.3 1 238 414 67 LEU N N 118.467 0.3 1 239 415 68 LYS H H 7.639 0.02 1 240 415 68 LYS CA C 59.802 0.3 1 241 415 68 LYS CB C 32.339 0.3 1 242 415 68 LYS N N 119.713 0.3 1 243 416 69 ASP H H 7.503 0.02 1 244 416 69 ASP CA C 57.866 0.3 1 245 416 69 ASP CB C 40.445 0.3 1 246 416 69 ASP N N 121.186 0.3 1 247 417 70 CYS H H 8.35 0.02 1 248 417 70 CYS CA C 65.004 0.3 1 249 417 70 CYS CB C 26.774 0.3 1 250 417 70 CYS N N 117.901 0.3 1 251 418 71 GLU H H 8.138 0.02 1 252 418 71 GLU CA C 58.713 0.3 1 253 418 71 GLU CB C 28.467 0.3 1 254 418 71 GLU N N 117.561 0.3 1 255 419 72 GLU H H 7.38 0.02 1 256 419 72 GLU CA C 59.067 0.3 1 257 419 72 GLU CB C 28.79 0.3 1 258 419 72 GLU N N 119.94 0.3 1 259 420 73 CYS H H 7.742 0.02 1 260 420 73 CYS CA C 63.19 0.3 1 261 420 73 CYS CB C 26.895 0.3 1 262 420 73 CYS N N 117.561 0.3 1 263 421 74 ILE H H 7.995 0.02 1 264 421 74 ILE CA C 64.52 0.3 1 265 421 74 ILE CB C 39.114 0.3 1 266 421 74 ILE N N 117.787 0.3 1 267 422 75 GLN H H 7.626 0.02 1 268 422 75 GLN CA C 58.35 0.3 1 269 422 75 GLN CB C 28.83 0.3 1 270 422 75 GLN N N 116.541 0.3 1 271 423 76 LEU H H 7.947 0.02 1 272 423 76 LEU CA C 57.503 0.3 1 273 423 76 LEU CB C 44.437 0.3 1 274 423 76 LEU N N 118.694 0.3 1 275 424 77 GLU H H 8.415 0.02 1 276 424 77 GLU CA C 53.895 0.3 1 277 424 77 GLU CB C 31.585 0.3 1 278 424 77 GLU N N 117.453 0.3 1 279 425 78 PRO CA C 64.9 0.3 1 280 425 78 PRO CB C 32.395 0.3 1 281 426 79 THR H H 8.131 0.02 1 282 426 79 THR CA C 61.496 0.3 1 283 426 79 THR CB C 68.876 0.3 1 284 426 79 THR N N 107.366 0.3 1 285 427 80 PHE H H 8.043 0.02 1 286 427 80 PHE CA C 55.983 0.3 1 287 427 80 PHE CB C 38.353 0.3 1 288 427 80 PHE N N 123.565 0.3 1 289 428 81 ILE H H 8.918 0.02 1 290 428 81 ILE CA C 64.661 0.3 1 291 428 81 ILE CB C 38.353 0.3 1 292 428 81 ILE N N 131.721 0.3 1 293 429 82 LYS H H 5.978 0.02 1 294 429 82 LYS CA C 56.536 0.3 1 295 429 82 LYS CB C 31.613 0.3 1 296 429 82 LYS N N 115.408 0.3 1 297 430 83 GLY H H 6.976 0.02 1 298 430 83 GLY CA C 48.43 0.3 1 299 430 83 GLY N N 104.194 0.3 1 300 431 84 TYR H H 6.833 0.02 1 301 431 84 TYR CA C 60.77 0.3 1 302 431 84 TYR CB C 38.509 0.3 1 303 431 84 TYR N N 115.748 0.3 1 304 432 85 THR H H 8.35 0.02 1 305 432 85 THR CA C 66.698 0.3 1 306 432 85 THR N N 109.744 0.3 1 307 437 90 ALA H H 7.653 0.02 1 308 437 90 ALA CA C 55.477 0.3 1 309 437 90 ALA CB C 16.903 0.3 1 310 437 90 ALA N N 122.885 0.3 1 311 438 91 LEU H H 7.878 0.02 1 312 438 91 LEU CA C 57.948 0.3 1 313 438 91 LEU CB C 42.018 0.3 1 314 438 91 LEU N N 117.861 0.3 1 315 439 92 GLU H H 8.979 0.02 1 316 439 92 GLU CA C 59.802 0.3 1 317 439 92 GLU CB C 29.919 0.3 1 318 439 92 GLU N N 120.959 0.3 1 319 440 93 ALA H H 7.899 0.02 1 320 440 93 ALA CA C 54.777 0.3 1 321 440 93 ALA CB C 17.92 0.3 1 322 440 93 ALA N N 124.584 0.3 1 323 441 94 MET H H 7.174 0.02 1 324 441 94 MET CA C 56.052 0.3 1 325 441 94 MET CB C 34.033 0.3 1 326 441 94 MET N N 115.408 0.3 1 327 442 95 LYS H H 7.639 0.02 1 328 442 95 LYS CA C 57.02 0.3 1 329 442 95 LYS CB C 28.709 0.3 1 330 442 95 LYS N N 113.143 0.3 1 331 443 96 ASP H H 7.893 0.02 1 332 443 96 ASP CA C 51.091 0.3 1 333 443 96 ASP CB C 38.993 0.3 1 334 443 96 ASP N N 120.86 0.3 1 335 444 97 TYR H H 7.004 0.02 1 336 444 97 TYR CA C 61.98 0.3 1 337 444 97 TYR CB C 38.554 0.3 1 338 444 97 TYR N N 118.24 0.3 1 339 445 98 THR H H 8.562 0.02 1 340 445 98 THR CA C 66.335 0.3 1 341 445 98 THR CB C 68.392 0.3 1 342 445 98 THR N N 113.596 0.3 1 343 446 99 LYS H H 7.345 0.02 1 344 446 99 LYS CA C 59.309 0.3 1 345 446 99 LYS CB C 33.129 0.3 1 346 446 99 LYS N N 120.846 0.3 1 347 447 100 ALA H H 8.337 0.02 1 348 447 100 ALA CA C 56.037 0.3 1 349 447 100 ALA CB C 19.414 0.3 1 350 447 100 ALA N N 120.393 0.3 1 351 448 101 MET H H 8.357 0.02 1 352 448 101 MET CA C 61.375 0.3 1 353 448 101 MET CB C 34.275 0.3 1 354 448 101 MET N N 116.201 0.3 1 355 449 102 ASP H H 7.27 0.02 1 356 449 102 ASP CA C 57.503 0.3 1 357 449 102 ASP CB C 41.171 0.3 1 358 449 102 ASP N N 117.674 0.3 1 359 450 103 VAL H H 7.836 0.02 1 360 450 103 VAL CA C 66.571 0.3 1 361 450 103 VAL CB C 31.203 0.3 1 362 450 103 VAL N N 120.729 0.3 1 363 451 104 TYR H H 9.225 0.02 1 364 451 104 TYR CA C 62.706 0.3 1 365 451 104 TYR CB C 38.025 0.3 1 366 451 104 TYR N N 120.619 0.3 1 367 452 105 GLN H H 8.61 0.02 1 368 452 105 GLN CA C 58.955 0.3 1 369 452 105 GLN CB C 28.588 0.3 1 370 452 105 GLN N N 117.448 0.3 1 371 453 106 LYS H H 7.598 0.02 1 372 453 106 LYS CA C 58.774 0.3 1 373 453 106 LYS CB C 31.492 0.3 1 374 453 106 LYS N N 120.28 0.3 1 375 454 107 ALA H H 7.708 0.02 1 376 454 107 ALA CA C 55.326 0.3 1 377 454 107 ALA CB C 18.305 0.3 1 378 454 107 ALA N N 119.713 0.3 1 379 455 108 LEU H H 7.81 0.02 1 380 455 108 LEU CA C 56.536 0.3 1 381 455 108 LEU CB C 42.018 0.3 1 382 455 108 LEU N N 117.787 0.3 1 383 456 109 ASP H H 8.138 0.02 1 384 456 109 ASP CA C 56.414 0.3 1 385 456 109 ASP CB C 40.445 0.3 1 386 456 109 ASP N N 118.92 0.3 1 387 457 110 LEU H H 7.325 0.02 1 388 457 110 LEU CA C 56.888 0.3 1 389 457 110 LEU CB C 42.743 0.3 1 390 457 110 LEU N N 120.28 0.3 1 391 458 111 ASP H H 8.213 0.02 1 392 458 111 ASP CA C 53.753 0.3 1 393 458 111 ASP CB C 41.989 0.3 1 394 458 111 ASP N N 118.24 0.3 1 395 459 112 SER H H 8.726 0.02 1 396 459 112 SER CA C 60.568 0.3 1 397 459 112 SER CB C 62.969 0.3 1 398 459 112 SER N N 121.299 0.3 1 399 460 113 SER H H 8.507 0.02 1 400 460 113 SER CA C 58.207 0.3 1 401 460 113 SER CB C 64.255 0.3 1 402 460 113 SER N N 117.108 0.3 1 403 461 114 CYS H H 7.434 0.02 1 404 461 114 CYS CA C 59.134 0.3 1 405 461 114 CYS CB C 26.225 0.3 1 406 461 114 CYS N N 121.979 0.3 1 407 462 115 LYS H H 8.644 0.02 1 408 462 115 LYS CA C 59.546 0.3 1 409 462 115 LYS CB C 32.823 0.3 1 410 462 115 LYS N N 107.705 0.3 1 411 463 116 GLU H H 9.006 0.02 1 412 463 116 GLU CA C 59.367 0.3 1 413 463 116 GLU CB C 29.798 0.3 1 414 463 116 GLU N N 117.674 0.3 1 415 464 117 ALA H H 7.544 0.02 1 416 464 117 ALA CA C 53.874 0.3 1 417 464 117 ALA CB C 18.91 0.3 1 418 464 117 ALA N N 121.073 0.3 1 419 465 118 ALA H H 7.906 0.02 1 420 465 118 ALA CA C 55.579 0.3 1 421 465 118 ALA CB C 18.385 0.3 1 422 465 118 ALA N N 123.112 0.3 1 423 466 119 ASP H H 8.965 0.02 1 424 466 119 ASP CA C 56.815 0.3 1 425 466 119 ASP CB C 39.669 0.3 1 426 466 119 ASP N N 118.807 0.3 1 427 467 120 GLY H H 7.591 0.02 1 428 467 120 GLY CA C 46.857 0.3 1 429 467 120 GLY N N 108.725 0.3 1 430 468 121 TYR H H 8.179 0.02 1 431 468 121 TYR CA C 63.406 0.3 1 432 468 121 TYR CB C 38.79 0.3 1 433 468 121 TYR N N 122.885 0.3 1 434 469 122 GLN H H 7.55 0.02 1 435 469 122 GLN CA C 58.955 0.3 1 436 469 122 GLN CB C 28.346 0.3 1 437 469 122 GLN N N 115.975 0.3 1 438 470 123 ARG H H 8.193 0.02 1 439 470 123 ARG CA C 60.044 0.3 1 440 470 123 ARG CB C 31.734 0.3 1 441 470 123 ARG N N 118.807 0.3 1 442 471 124 CYS H H 8.131 0.02 1 443 471 124 CYS CA C 64.334 0.3 1 444 471 124 CYS CB C 28.31 0.3 1 445 471 124 CYS N N 117.223 0.3 1 446 472 125 MET H H 8.227 0.02 1 447 472 125 MET CA C 58.955 0.3 1 448 472 125 MET CB C 32.46 0.3 1 449 472 125 MET N N 120.959 0.3 1 450 473 126 MET H H 7.851 0.02 1 451 473 126 MET CA C 57.261 0.3 1 452 473 126 MET CB C 32.24 0.3 1 453 473 126 MET N N 116.428 0.3 1 454 474 127 ALA H H 7.585 0.02 1 455 474 127 ALA CA C 54.127 0.3 1 456 474 127 ALA CB C 17.121 0.3 1 457 474 127 ALA N N 121.412 0.3 1 458 475 128 GLN H H 7.468 0.02 1 459 475 128 GLN CA C 57.261 0.3 1 460 475 128 GLN CB C 29.072 0.3 1 461 475 128 GLN N N 115.408 0.3 1 462 476 129 TYR H H 7.639 0.02 1 463 476 129 TYR CA C 58.592 0.3 1 464 476 129 TYR CB C 38.63 0.3 1 465 476 129 TYR N N 117.901 0.3 1 466 477 130 ASN H H 8.002 0.02 1 467 477 130 ASN CA C 53.511 0.3 1 468 477 130 ASN CB C 38.929 0.3 1 469 477 130 ASN N N 118.58 0.3 1 470 478 131 ARG H H 7.981 0.02 1 471 478 131 ARG CA C 56.415 0.3 1 472 478 131 ARG CB C 30.887 0.3 1 473 478 131 ARG N N 120.393 0.3 1 474 480 133 ASP H H 8.364 0.02 1 475 480 133 ASP CA C 54.479 0.3 1 476 480 133 ASP CB C 41.413 0.3 1 477 480 133 ASP N N 120.959 0.3 1 478 481 134 SER H H 8.254 0.02 1 479 481 134 SER CA C 56.415 0.3 1 480 481 134 SER CB C 63.553 0.3 1 481 481 134 SER N N 116.655 0.3 1 482 482 135 PRO CA C 63.432 0.3 1 483 482 135 PRO CB C 32.186 0.3 1 484 483 136 GLU H H 8.446 0.02 1 485 483 136 GLU CA C 56.415 0.3 1 486 483 136 GLU CB C 30.645 0.3 1 487 483 136 GLU N N 120.733 0.3 1 488 484 137 ASP H H 7.926 0.02 1 489 484 137 ASP CA C 56.123 0.3 1 490 484 137 ASP CB C 42.381 0.3 1 491 484 137 ASP N N 126.623 0.3 1 stop_ save_