data_25697 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human CFTR NBD1 deltaRI I539T mutant chemical shift assignments ; _BMRB_accession_number 25697 _BMRB_flat_file_name bmr25697.str _Entry_type original _Submission_date 2015-07-09 _Accession_date 2015-07-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chemical shift assignments for a protein construct comprising residues 387-404 and 437-646 of human CFTR with I539T mutation' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chong Andrew . . 2 Forman-Kay Julie D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "13C chemical shifts" 581 "15N chemical shifts" 206 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-12 update BMRB 'update entry citation' 2015-08-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25696 'hCFTR NBD1 deltaRI' 25698 'hCFTR NBD1 deltaRI F508del' stop_ _Original_release_date 2015-08-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Deletion of Phenylalanine-508 in the First Nucleotide Binding Domain of the Cystic Fibrosis Transmembrane Conductance Regulator Increases Conformational Exchange and Inhibits Dimerization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26149808 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chong Andrew . . 2 Farber Patrick J. . 3 Vernon Robert M. . 4 Hudson Rhea P. . 5 Mittermaier Anthony K. . 6 Forman-Kay Julie D. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 22862 _Page_last 22878 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hCFTR NBD1 deltaRI I539T' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hCFTR NBD1 delta RI I539T' $hCFTR_NBD1_delta_RI_I539T 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_hCFTR_NBD1_delta_RI_I539T _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hCFTR_NBD1_delta_RI_I539T _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 229 _Mol_residue_sequence ; SLTTTEVVMENVTAFWEEGG TPVLKDINFKIERGQLLAVA GSTGAGKTSLLMMIMGELEP SEGKIKHSGRISFCSQFSWI MPGTIKENIIFGVSYDEYRY RSVIKACQLEEDISKFAEKD NTVLGEGGITLSGGQRARIS LARAVYKDADLYLLDSPFGY LDVLTEKEIFESCVCKLMAN KTRILVTSKMEHLKKADKIL ILHEGSSYFYGTFSELQNLQ PDFSSKLMG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 386 SER 2 387 LEU 3 388 THR 4 389 THR 5 390 THR 6 391 GLU 7 392 VAL 8 393 VAL 9 394 MET 10 395 GLU 11 396 ASN 12 397 VAL 13 398 THR 14 399 ALA 15 400 PHE 16 401 TRP 17 402 GLU 18 403 GLU 19 404 GLY 20 437 GLY 21 438 THR 22 439 PRO 23 440 VAL 24 441 LEU 25 442 LYS 26 443 ASP 27 444 ILE 28 445 ASN 29 446 PHE 30 447 LYS 31 448 ILE 32 449 GLU 33 450 ARG 34 451 GLY 35 452 GLN 36 453 LEU 37 454 LEU 38 455 ALA 39 456 VAL 40 457 ALA 41 458 GLY 42 459 SER 43 460 THR 44 461 GLY 45 462 ALA 46 463 GLY 47 464 LYS 48 465 THR 49 466 SER 50 467 LEU 51 468 LEU 52 469 MET 53 470 MET 54 471 ILE 55 472 MET 56 473 GLY 57 474 GLU 58 475 LEU 59 476 GLU 60 477 PRO 61 478 SER 62 479 GLU 63 480 GLY 64 481 LYS 65 482 ILE 66 483 LYS 67 484 HIS 68 485 SER 69 486 GLY 70 487 ARG 71 488 ILE 72 489 SER 73 490 PHE 74 491 CYS 75 492 SER 76 493 GLN 77 494 PHE 78 495 SER 79 496 TRP 80 497 ILE 81 498 MET 82 499 PRO 83 500 GLY 84 501 THR 85 502 ILE 86 503 LYS 87 504 GLU 88 505 ASN 89 506 ILE 90 507 ILE 91 508 PHE 92 509 GLY 93 510 VAL 94 511 SER 95 512 TYR 96 513 ASP 97 514 GLU 98 515 TYR 99 516 ARG 100 517 TYR 101 518 ARG 102 519 SER 103 520 VAL 104 521 ILE 105 522 LYS 106 523 ALA 107 524 CYS 108 525 GLN 109 526 LEU 110 527 GLU 111 528 GLU 112 529 ASP 113 530 ILE 114 531 SER 115 532 LYS 116 533 PHE 117 534 ALA 118 535 GLU 119 536 LYS 120 537 ASP 121 538 ASN 122 539 THR 123 540 VAL 124 541 LEU 125 542 GLY 126 543 GLU 127 544 GLY 128 545 GLY 129 546 ILE 130 547 THR 131 548 LEU 132 549 SER 133 550 GLY 134 551 GLY 135 552 GLN 136 553 ARG 137 554 ALA 138 555 ARG 139 556 ILE 140 557 SER 141 558 LEU 142 559 ALA 143 560 ARG 144 561 ALA 145 562 VAL 146 563 TYR 147 564 LYS 148 565 ASP 149 566 ALA 150 567 ASP 151 568 LEU 152 569 TYR 153 570 LEU 154 571 LEU 155 572 ASP 156 573 SER 157 574 PRO 158 575 PHE 159 576 GLY 160 577 TYR 161 578 LEU 162 579 ASP 163 580 VAL 164 581 LEU 165 582 THR 166 583 GLU 167 584 LYS 168 585 GLU 169 586 ILE 170 587 PHE 171 588 GLU 172 589 SER 173 590 CYS 174 591 VAL 175 592 CYS 176 593 LYS 177 594 LEU 178 595 MET 179 596 ALA 180 597 ASN 181 598 LYS 182 599 THR 183 600 ARG 184 601 ILE 185 602 LEU 186 603 VAL 187 604 THR 188 605 SER 189 606 LYS 190 607 MET 191 608 GLU 192 609 HIS 193 610 LEU 194 611 LYS 195 612 LYS 196 613 ALA 197 614 ASP 198 615 LYS 199 616 ILE 200 617 LEU 201 618 ILE 202 619 LEU 203 620 HIS 204 621 GLU 205 622 GLY 206 623 SER 207 624 SER 208 625 TYR 209 626 PHE 210 627 TYR 211 628 GLY 212 629 THR 213 630 PHE 214 631 SER 215 632 GLU 216 633 LEU 217 634 GLN 218 635 ASN 219 636 LEU 220 637 GLN 221 638 PRO 222 639 ASP 223 640 PHE 224 641 SER 225 642 SER 226 643 LYS 227 644 LEU 228 645 MET 229 646 GLY 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 $hCFTR_NBD1_delta_RI_I539T 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 $hCFTR_NBD1_delta_RI_I539T 'recombinant technology' . Escherichia coli . 'pET-SUMO hNBD1 deltaRI I539T' 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 $hCFTR_NBD1_delta_RI_I539T 1 mM '[U-99% 13C; U-99% 15N; 50% 2H]]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' glycerol 274 mM 'natural abundance' 'magnesium chloride' 5 mM 'natural abundance' 'sodium azide' .08 mM 'natural abundance' DTT 5 mM 'natural abundance' 'adenosine triphosphate' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.89 . M pH 7.6 . pH pressure 1 . atm temperature 293.15 . 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 0.0 external indirect . . . 0.25148 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.10134 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 $NMRView stop_ loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' '3D HNCA' '3D HCACO' '3D 1H-15N NOESY' 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 'hCFTR NBD1 delta RI I539T' _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 1 387 2 LEU C C 177.32 . . 2 387 2 LEU CA C 54.721 . . 3 387 2 LEU CB C 41.098 . . 4 388 3 THR H H 8.272 . . 5 388 3 THR C C 174.07 . . 6 388 3 THR CA C 60.834 . . 7 388 3 THR CB C 69.000 . . 8 388 3 THR N N 115.21 . . 9 389 4 THR H H 8.258 . . 10 389 4 THR CA C 60.900 . . 11 389 4 THR CB C 69.000 . . 12 389 4 THR N N 116.15 . . 13 392 7 VAL C C 173.68 . . 14 392 7 VAL CA C 60.381 . . 15 392 7 VAL CB C 33.649 . . 16 393 8 VAL H H 8.676 . . 17 393 8 VAL C C 174.09 . . 18 393 8 VAL CA C 60.064 . . 19 393 8 VAL CB C 34.693 . . 20 393 8 VAL N N 125.24 . . 21 394 9 MET H H 8.277 . . 22 394 9 MET C C 174.22 . . 23 394 9 MET CA C 55.265 . . 24 394 9 MET CB C 32.295 . . 25 394 9 MET N N 123.48 . . 26 395 10 GLU H H 8.913 . . 27 395 10 GLU C C 173.23 . . 28 395 10 GLU CA C 53.749 . . 29 395 10 GLU CB C 31.227 . . 30 395 10 GLU N N 124.76 . . 31 396 11 ASN H H 8.870 . . 32 396 11 ASN HD21 H 7.933 . . 33 396 11 ASN HD22 H 6.783 . . 34 396 11 ASN C C 174.17 . . 35 396 11 ASN CA C 53.589 . . 36 396 11 ASN CB C 37.657 . . 37 396 11 ASN N N 123.31 . . 38 397 12 VAL H H 8.342 . . 39 397 12 VAL C C 176.11 . . 40 397 12 VAL CA C 63.007 . . 41 397 12 VAL CB C 31.641 . . 42 397 12 VAL N N 119.85 . . 43 398 13 THR H H 7.803 . . 44 398 13 THR C C 172.58 . . 45 398 13 THR CA C 60.200 . . 46 398 13 THR CB C 71.612 . . 47 398 13 THR N N 122.92 . . 48 399 14 ALA H H 8.795 . . 49 399 14 ALA C C 173.57 . . 50 399 14 ALA CA C 50.575 . . 51 399 14 ALA CB C 23.777 . . 52 399 14 ALA N N 126.74 . . 53 400 15 PHE H H 9.236 . . 54 400 15 PHE C C 174.82 . . 55 400 15 PHE CA C 56.261 . . 56 400 15 PHE CB C 40.953 . . 57 400 15 PHE N N 118.50 . . 58 401 16 TRP H H 8.911 . . 59 401 16 TRP HE1 H 9.351 . . 60 401 16 TRP C C 176.87 . . 61 401 16 TRP CA C 58.535 . . 62 401 16 TRP CB C 30.141 . . 63 401 16 TRP N N 121.02 . . 64 401 16 TRP NE1 N 126.16 . . 65 402 17 GLU H H 7.957 . . 66 402 17 GLU C C 175.29 . . 67 402 17 GLU CA C 53.997 . . 68 402 17 GLU CB C 30.865 . . 69 402 17 GLU N N 117.67 . . 70 403 18 GLU H H 8.791 . . 71 403 18 GLU C C 177.47 . . 72 403 18 GLU CA C 57.121 . . 73 403 18 GLU CB C 28.019 . . 74 403 18 GLU N N 125.41 . . 75 404 19 GLY H H 8.473 . . 76 404 19 GLY C C 174.20 . . 77 404 19 GLY CA C 44.579 . . 78 404 19 GLY N N 113.02 . . 79 437 20 GLY H H 7.954 . . 80 437 20 GLY C C 173.34 . . 81 437 20 GLY CA C 43.674 . . 82 437 20 GLY N N 108.18 . . 83 438 21 THR H H 8.589 . . 84 438 21 THR CA C 59.159 . . 85 438 21 THR N N 118.08 . . 86 439 22 PRO C C 176.35 . . 87 439 22 PRO CA C 62.917 . . 88 439 22 PRO CB C 29.788 . . 89 440 23 VAL H H 8.245 . . 90 440 23 VAL C C 172.71 . . 91 440 23 VAL CA C 60.743 . . 92 440 23 VAL CB C 30.323 . . 93 440 23 VAL N N 122.60 . . 94 441 24 LEU H H 6.821 . . 95 441 24 LEU C C 175.23 . . 96 441 24 LEU CA C 52.412 . . 97 441 24 LEU CB C 45.340 . . 98 441 24 LEU N N 119.17 . . 99 442 25 LYS H H 8.504 . . 100 442 25 LYS C C 172.69 . . 101 442 25 LYS CA C 54.405 . . 102 442 25 LYS CB C 34.389 . . 103 442 25 LYS N N 121.60 . . 104 443 26 ASP H H 7.879 . . 105 443 26 ASP C C 173.14 . . 106 443 26 ASP CA C 54.314 . . 107 443 26 ASP CB C 38.883 . . 108 443 26 ASP N N 125.06 . . 109 444 27 ILE H H 9.229 . . 110 444 27 ILE C C 175.68 . . 111 444 27 ILE CA C 58.932 . . 112 444 27 ILE CB C 34.273 . . 113 444 27 ILE N N 119.34 . . 114 445 28 ASN H H 7.673 . . 115 445 28 ASN HD21 H 7.014 . . 116 445 28 ASN HD22 H 7.422 . . 117 445 28 ASN C C 173.92 . . 118 445 28 ASN CA C 51.733 . . 119 445 28 ASN CB C 42.628 . . 120 445 28 ASN N N 122.39 . . 121 446 29 PHE H H 8.269 . . 122 446 29 PHE C C 172.00 . . 123 446 29 PHE CA C 57.768 . . 124 446 29 PHE CB C 38.750 . . 125 446 29 PHE N N 114.24 . . 126 447 30 LYS H H 7.812 . . 127 447 30 LYS C C 174.56 . . 128 447 30 LYS CA C 55.087 . . 129 447 30 LYS CB C 34.482 . . 130 447 30 LYS N N 118.31 . . 131 448 31 ILE H H 9.163 . . 132 448 31 ILE C C 174.69 . . 133 448 31 ILE CA C 58.768 . . 134 448 31 ILE CB C 39.739 . . 135 448 31 ILE N N 121.99 . . 136 449 32 GLU H H 8.344 . . 137 449 32 GLU C C 175.08 . . 138 449 32 GLU CA C 54.224 . . 139 449 32 GLU CB C 29.692 . . 140 449 32 GLU N N 125.00 . . 141 450 33 ARG H H 8.563 . . 142 450 33 ARG C C 177.92 . . 143 450 33 ARG CA C 57.041 . . 144 450 33 ARG CB C 28.495 . . 145 450 33 ARG N N 119.21 . . 146 451 34 GLY H H 9.099 . . 147 451 34 GLY C C 173.64 . . 148 451 34 GLY CA C 44.090 . . 149 451 34 GLY N N 113.61 . . 150 452 35 GLN H H 7.865 . . 151 452 35 GLN HE21 H 7.008 . . 152 452 35 GLN HE22 H 7.784 . . 153 452 35 GLN C C 173.34 . . 154 452 35 GLN CA C 55.723 . . 155 452 35 GLN CB C 29.640 . . 156 452 35 GLN N N 118.54 . . 157 453 36 LEU H H 9.538 . . 158 453 36 LEU CA C 52.906 . . 159 453 36 LEU CB C 42.238 . . 160 453 36 LEU N N 120.68 . . 161 454 37 LEU H H 9.066 . . 162 454 37 LEU CA C 52.133 . . 163 454 37 LEU CB C 42.759 . . 164 454 37 LEU N N 129.76 . . 165 455 38 ALA H H 8.724 . . 166 455 38 ALA CA C 48.952 . . 167 455 38 ALA CB C 19.958 . . 168 455 38 ALA N N 128.98 . . 169 456 39 VAL H H 9.030 . . 170 456 39 VAL CA C 60.040 . . 171 456 39 VAL CB C 32.764 . . 172 456 39 VAL N N 123.33 . . 173 457 40 ALA H H 9.008 . . 174 457 40 ALA C C 175.72 . . 175 457 40 ALA CA C 48.952 . . 176 457 40 ALA CB C 22.821 . . 177 457 40 ALA N N 127.88 . . 178 458 41 GLY H H 8.190 . . 179 458 41 GLY CA C 44.317 . . 180 458 41 GLY N N 105.71 . . 181 459 42 SER H H 9.254 . . 182 459 42 SER C C 173.92 . . 183 459 42 SER CA C 57.814 . . 184 459 42 SER CB C 63.621 . . 185 459 42 SER N N 118.64 . . 186 460 43 THR H H 8.600 . . 187 460 43 THR C C 175.62 . . 188 460 43 THR CA C 62.812 . . 189 460 43 THR CB C 67.629 . . 190 460 43 THR N N 116.76 . . 191 461 44 GLY H H 8.028 . . 192 461 44 GLY C C 174.11 . . 193 461 44 GLY CA C 45.317 . . 194 461 44 GLY N N 114.18 . . 195 462 45 ALA H H 8.113 . . 196 462 45 ALA C C 175.96 . . 197 462 45 ALA CA C 54.451 . . 198 462 45 ALA CB C 19.489 . . 199 462 45 ALA N N 122.38 . . 200 463 46 GLY H H 7.958 . . 201 463 46 GLY C C 173.45 . . 202 463 46 GLY CA C 43.954 . . 203 463 46 GLY N N 99.455 . . 204 464 47 LYS H H 9.128 . . 205 464 47 LYS C C 177.38 . . 206 464 47 LYS CA C 59.222 . . 207 464 47 LYS CB C 27.714 . . 208 464 47 LYS N N 122.77 . . 209 465 48 THR H H 9.392 . . 210 465 48 THR C C 177.50 . . 211 465 48 THR CA C 66.736 . . 212 465 48 THR CB C 67.112 . . 213 465 48 THR N N 117.10 . . 214 466 49 SER H H 8.356 . . 215 466 49 SER C C 173.80 . . 216 466 49 SER CA C 63.982 . . 217 466 49 SER CB C 60.841 . . 218 466 49 SER N N 118.44 . . 219 467 50 LEU H H 8.177 . . 220 467 50 LEU C C 178.43 . . 221 467 50 LEU CA C 58.439 . . 222 467 50 LEU CB C 40.009 . . 223 467 50 LEU N N 123.01 . . 224 468 51 LEU H H 7.334 . . 225 468 51 LEU CA C 57.679 . . 226 468 51 LEU CB C 38.588 . . 227 468 51 LEU N N 117.52 . . 228 469 52 MET H H 8.664 . . 229 469 52 MET C C 178.80 . . 230 469 52 MET CA C 56.632 . . 231 469 52 MET CB C 30.835 . . 232 469 52 MET N N 117.36 . . 233 470 53 MET H H 8.039 . . 234 470 53 MET C C 179.77 . . 235 470 53 MET CA C 57.645 . . 236 470 53 MET CB C 31.805 . . 237 470 53 MET N N 120.23 . . 238 471 54 ILE H H 7.487 . . 239 471 54 ILE C C 175.57 . . 240 471 54 ILE CA C 64.533 . . 241 471 54 ILE CB C 35.725 . . 242 471 54 ILE N N 122.07 . . 243 472 55 MET H H 7.431 . . 244 472 55 MET C C 175.72 . . 245 472 55 MET CA C 55.627 . . 246 472 55 MET CB C 32.222 . . 247 472 55 MET N N 113.07 . . 248 473 56 GLY H H 7.467 . . 249 473 56 GLY C C 174.05 . . 250 473 56 GLY CA C 44.718 . . 251 473 56 GLY N N 106.21 . . 252 474 57 GLU H H 7.863 . . 253 474 57 GLU C C 174.05 . . 254 474 57 GLU CA C 56.397 . . 255 474 57 GLU CB C 29.496 . . 256 474 57 GLU N N 118.43 . . 257 475 58 LEU H H 6.446 . . 258 475 58 LEU C C 174.02 . . 259 475 58 LEU CA C 52.459 . . 260 475 58 LEU CB C 41.823 . . 261 475 58 LEU N N 119.33 . . 262 476 59 GLU H H 8.639 . . 263 476 59 GLU CA C 52.820 . . 264 476 59 GLU CB C 29.220 . . 265 476 59 GLU N N 126.96 . . 266 477 60 PRO C C 176.76 . . 267 477 60 PRO CA C 62.072 . . 268 477 60 PRO CB C 31.148 . . 269 478 61 SER H H 9.181 . . 270 478 61 SER C C 174.08 . . 271 478 61 SER CA C 59.427 . . 272 478 61 SER CB C 62.842 . . 273 478 61 SER N N 119.39 . . 274 479 62 GLU H H 7.817 . . 275 479 62 GLU C C 174.26 . . 276 479 62 GLU CA C 54.475 . . 277 479 62 GLU CB C 32.680 . . 278 479 62 GLU N N 119.40 . . 279 480 63 GLY H H 8.317 . . 280 480 63 GLY C C 173.48 . . 281 480 63 GLY CA C 44.293 . . 282 480 63 GLY N N 107.63 . . 283 481 64 LYS H H 8.230 . . 284 481 64 LYS C C 173.71 . . 285 481 64 LYS CA C 54.246 . . 286 481 64 LYS CB C 35.506 . . 287 481 64 LYS N N 116.48 . . 288 482 65 ILE H H 8.477 . . 289 482 65 ILE C C 174.70 . . 290 482 65 ILE CA C 58.754 . . 291 482 65 ILE CB C 39.332 . . 292 482 65 ILE N N 121.59 . . 293 483 66 LYS H H 8.937 . . 294 483 66 LYS C C 174.59 . . 295 483 66 LYS CA C 54.438 . . 296 483 66 LYS CB C 34.137 . . 297 483 66 LYS N N 126.76 . . 298 484 67 HIS H H 8.059 . . 299 484 67 HIS C C 173.77 . . 300 484 67 HIS CA C 55.646 . . 301 484 67 HIS CB C 30.944 . . 302 484 67 HIS N N 118.93 . . 303 485 68 SER H H 8.709 . . 304 485 68 SER C C 174.67 . . 305 485 68 SER CA C 57.626 . . 306 485 68 SER CB C 63.642 . . 307 485 68 SER N N 115.98 . . 308 486 69 GLY H H 8.920 . . 309 486 69 GLY C C 173.44 . . 310 486 69 GLY CA C 44.397 . . 311 486 69 GLY N N 111.74 . . 312 487 70 ARG H H 8.967 . . 313 487 70 ARG C C 176.02 . . 314 487 70 ARG CA C 55.146 . . 315 487 70 ARG CB C 29.405 . . 316 487 70 ARG N N 121.46 . . 317 488 71 ILE H H 8.716 . . 318 488 71 ILE C C 175.73 . . 319 488 71 ILE CA C 59.466 . . 320 488 71 ILE CB C 40.608 . . 321 488 71 ILE N N 125.40 . . 322 489 72 SER H H 8.090 . . 323 489 72 SER C C 172.36 . . 324 489 72 SER CA C 55.258 . . 325 489 72 SER CB C 63.548 . . 326 489 72 SER N N 119.04 . . 327 490 73 PHE H H 8.942 . . 328 490 73 PHE C C 173.29 . . 329 490 73 PHE CA C 54.289 . . 330 490 73 PHE CB C 41.876 . . 331 490 73 PHE N N 129.86 . . 332 491 74 CYS H H 8.791 . . 333 491 74 CYS C C 170.62 . . 334 491 74 CYS CA C 56.052 . . 335 491 74 CYS CB C 27.770 . . 336 491 74 CYS N N 130.06 . . 337 492 75 SER H H 8.000 . . 338 492 75 SER CA C 56.871 . . 339 492 75 SER N N 120.47 . . 340 496 79 TRP HE1 H 10.120 . . 341 496 79 TRP NE1 N 130.40 . . 342 499 82 PRO C C 176.39 . . 343 499 82 PRO CA C 62.778 . . 344 499 82 PRO CB C 29.960 . . 345 500 83 GLY H H 7.865 . . 346 500 83 GLY C C 172.76 . . 347 500 83 GLY CA C 43.213 . . 348 500 83 GLY N N 112.26 . . 349 501 84 THR H H 9.140 . . 350 501 84 THR C C 177.67 . . 351 501 84 THR CA C 60.656 . . 352 501 84 THR CB C 70.891 . . 353 501 84 THR N N 110.90 . . 354 502 85 ILE H H 7.782 . . 355 502 85 ILE C C 176.41 . . 356 502 85 ILE CA C 66.367 . . 357 502 85 ILE CB C 36.888 . . 358 502 85 ILE N N 121.93 . . 359 503 86 LYS H H 8.298 . . 360 503 86 LYS C C 178.41 . . 361 503 86 LYS CA C 59.602 . . 362 503 86 LYS CB C 31.378 . . 363 503 86 LYS N N 118.79 . . 364 504 87 GLU H H 8.162 . . 365 504 87 GLU C C 179.85 . . 366 504 87 GLU CA C 58.380 . . 367 504 87 GLU CB C 28.393 . . 368 504 87 GLU N N 116.61 . . 369 505 88 ASN H H 8.198 . . 370 505 88 ASN HD21 H 6.203 . . 371 505 88 ASN HD22 H 6.828 . . 372 505 88 ASN C C 175.54 . . 373 505 88 ASN CA C 57.206 . . 374 505 88 ASN CB C 40.262 . . 375 505 88 ASN N N 116.94 . . 376 506 89 ILE H H 7.699 . . 377 506 89 ILE CA C 64.524 . . 378 506 89 ILE CB C 37.807 . . 379 506 89 ILE N N 118.27 . . 380 507 90 ILE H H 8.107 . . 381 507 90 ILE C C 176.20 . . 382 507 90 ILE CA C 61.788 . . 383 507 90 ILE CB C 35.152 . . 384 507 90 ILE N N 111.68 . . 385 508 91 PHE H H 7.629 . . 386 508 91 PHE CA C 58.714 . . 387 508 91 PHE CB C 38.707 . . 388 508 91 PHE N N 121.43 . . 389 509 92 GLY H H 8.345 . . 390 509 92 GLY C C 173.97 . . 391 509 92 GLY CA C 44.974 . . 392 509 92 GLY N N 108.20 . . 393 510 93 VAL H H 8.184 . . 394 510 93 VAL C C 175.25 . . 395 510 93 VAL CA C 60.372 . . 396 510 93 VAL CB C 31.565 . . 397 510 93 VAL N N 120.94 . . 398 511 94 SER H H 8.236 . . 399 511 94 SER C C 175.40 . . 400 511 94 SER CA C 58.805 . . 401 511 94 SER CB C 62.610 . . 402 511 94 SER N N 117.07 . . 403 512 95 TYR H H 9.174 . . 404 512 95 TYR C C 172.91 . . 405 512 95 TYR CA C 58.638 . . 406 512 95 TYR CB C 37.573 . . 407 512 95 TYR N N 126.74 . . 408 513 96 ASP H H 7.321 . . 409 513 96 ASP C C 174.22 . . 410 513 96 ASP CA C 52.080 . . 411 513 96 ASP CB C 42.500 . . 412 513 96 ASP N N 131.42 . . 413 514 97 GLU H H 8.711 . . 414 514 97 GLU C C 176.68 . . 415 514 97 GLU CA C 59.202 . . 416 514 97 GLU CB C 28.742 . . 417 514 97 GLU N N 126.73 . . 418 515 98 TYR H H 8.097 . . 419 515 98 TYR C C 179.09 . . 420 515 98 TYR CA C 60.669 . . 421 515 98 TYR CB C 36.486 . . 422 515 98 TYR N N 118.37 . . 423 516 99 ARG H H 8.510 . . 424 516 99 ARG C C 178.35 . . 425 516 99 ARG CA C 58.774 . . 426 516 99 ARG CB C 28.994 . . 427 516 99 ARG N N 123.03 . . 428 517 100 TYR H H 9.028 . . 429 517 100 TYR C C 176.45 . . 430 517 100 TYR CA C 61.591 . . 431 517 100 TYR CB C 38.250 . . 432 517 100 TYR N N 119.93 . . 433 518 101 ARG H H 8.585 . . 434 518 101 ARG C C 179.33 . . 435 518 101 ARG CA C 58.213 . . 436 518 101 ARG CB C 28.114 . . 437 518 101 ARG N N 116.39 . . 438 519 102 SER H H 7.977 . . 439 519 102 SER C C 176.64 . . 440 519 102 SER CA C 61.353 . . 441 519 102 SER CB C 61.515 . . 442 519 102 SER N N 114.83 . . 443 520 103 VAL H H 8.199 . . 444 520 103 VAL CA C 66.119 . . 445 520 103 VAL CB C 30.301 . . 446 520 103 VAL N N 123.63 . . 447 521 104 ILE H H 8.146 . . 448 521 104 ILE C C 178.00 . . 449 521 104 ILE CA C 63.984 . . 450 521 104 ILE CB C 35.638 . . 451 521 104 ILE N N 119.04 . . 452 522 105 LYS H H 7.706 . . 453 522 105 LYS C C 180.16 . . 454 522 105 LYS CA C 58.526 . . 455 522 105 LYS CB C 31.186 . . 456 522 105 LYS N N 119.05 . . 457 523 106 ALA H H 8.010 . . 458 523 106 ALA C C 178.47 . . 459 523 106 ALA CA C 54.420 . . 460 523 106 ALA CB C 18.058 . . 461 523 106 ALA N N 121.54 . . 462 524 107 CYS H H 7.808 . . 463 524 107 CYS C C 171.15 . . 464 524 107 CYS CA C 59.824 . . 465 524 107 CYS CB C 26.490 . . 466 524 107 CYS N N 110.55 . . 467 525 108 GLN H H 7.775 . . 468 525 108 GLN HE21 H 7.452 . . 469 525 108 GLN HE22 H 7.210 . . 470 525 108 GLN C C 175.79 . . 471 525 108 GLN CA C 55.111 . . 472 525 108 GLN CB C 24.236 . . 473 525 108 GLN N N 111.69 . . 474 526 109 LEU H H 8.221 . . 475 526 109 LEU C C 176.80 . . 476 526 109 LEU CA C 53.900 . . 477 526 109 LEU CB C 44.591 . . 478 526 109 LEU N N 115.93 . . 479 527 110 GLU H H 7.790 . . 480 527 110 GLU C C 178.70 . . 481 527 110 GLU CA C 59.911 . . 482 527 110 GLU CB C 29.127 . . 483 527 110 GLU N N 121.28 . . 484 528 111 GLU H H 8.633 . . 485 528 111 GLU C C 178.70 . . 486 528 111 GLU CA C 58.560 . . 487 528 111 GLU CB C 27.650 . . 488 528 111 GLU N N 119.24 . . 489 529 112 ASP H H 8.123 . . 490 529 112 ASP C C 177.95 . . 491 529 112 ASP CA C 56.587 . . 492 529 112 ASP CB C 40.010 . . 493 529 112 ASP N N 118.53 . . 494 530 113 ILE H H 7.974 . . 495 530 113 ILE C C 176.98 . . 496 530 113 ILE CA C 64.869 . . 497 530 113 ILE CB C 36.477 . . 498 530 113 ILE N N 115.69 . . 499 531 114 SER H H 7.548 . . 500 531 114 SER C C 174.86 . . 501 531 114 SER CA C 60.135 . . 502 531 114 SER CB C 62.359 . . 503 531 114 SER N N 111.61 . . 504 532 115 LYS H H 7.065 . . 505 532 115 LYS C C 177.50 . . 506 532 115 LYS CA C 56.024 . . 507 532 115 LYS CB C 31.630 . . 508 532 115 LYS N N 118.91 . . 509 533 116 PHE H H 7.350 . . 510 533 116 PHE C C 178.74 . . 511 533 116 PHE CA C 55.815 . . 512 533 116 PHE CB C 38.763 . . 513 533 116 PHE N N 119.75 . . 514 534 117 ALA H H 9.383 . . 515 534 117 ALA C C 179.27 . . 516 534 117 ALA CA C 55.321 . . 517 534 117 ALA CB C 17.419 . . 518 534 117 ALA N N 129.14 . . 519 535 118 GLU H H 8.198 . . 520 535 118 GLU C C 176.16 . . 521 535 118 GLU CA C 54.088 . . 522 535 118 GLU CB C 27.554 . . 523 535 118 GLU N N 111.93 . . 524 536 119 LYS H H 8.017 . . 525 536 119 LYS C C 177.91 . . 526 536 119 LYS CA C 56.182 . . 527 536 119 LYS CB C 28.022 . . 528 536 119 LYS N N 116.56 . . 529 537 120 ASP H H 9.197 . . 530 537 120 ASP C C 174.04 . . 531 537 120 ASP CA C 54.473 . . 532 537 120 ASP CB C 37.760 . . 533 537 120 ASP N N 120.88 . . 534 538 121 ASN H H 8.226 . . 535 538 121 ASN HD21 H 6.055 . . 536 538 121 ASN C C 173.27 . . 537 538 121 ASN CA C 52.130 . . 538 538 121 ASN CB C 37.417 . . 539 538 121 ASN N N 114.89 . . 540 539 122 THR H H 7.218 . . 541 539 122 THR C C 172.80 . . 542 539 122 THR CA C 64.283 . . 543 539 122 THR CB C 68.920 . . 544 539 122 THR N N 118.65 . . 545 540 123 VAL H H 8.448 . . 546 540 123 VAL C C 174.24 . . 547 540 123 VAL CA C 63.337 . . 548 540 123 VAL CB C 30.998 . . 549 540 123 VAL N N 127.98 . . 550 541 124 LEU H H 8.652 . . 551 541 124 LEU C C 177.03 . . 552 541 124 LEU CA C 52.269 . . 553 541 124 LEU CB C 41.778 . . 554 541 124 LEU N N 126.87 . . 555 542 125 GLY H H 8.402 . . 556 542 125 GLY C C 174.05 . . 557 542 125 GLY CA C 43.351 . . 558 542 125 GLY N N 108.00 . . 559 543 126 GLU H H 8.605 . . 560 543 126 GLU C C 177.69 . . 561 543 126 GLU CA C 57.218 . . 562 543 126 GLU CB C 28.401 . . 563 543 126 GLU N N 122.32 . . 564 544 127 GLY H H 8.856 . . 565 544 127 GLY C C 174.15 . . 566 544 127 GLY CA C 44.568 . . 567 544 127 GLY N N 113.26 . . 568 545 128 GLY H H 8.257 . . 569 545 128 GLY CA C 44.344 . . 570 545 128 GLY N N 110.34 . . 571 548 131 LEU C C 177.08 . . 572 548 131 LEU CA C 52.903 . . 573 548 131 LEU CB C 42.388 . . 574 549 132 SER H H 8.926 . . 575 549 132 SER CA C 56.412 . . 576 549 132 SER CB C 64.513 . . 577 549 132 SER N N 116.73 . . 578 550 133 GLY CA C 46.914 . . 579 551 134 GLY H H 8.983 . . 580 551 134 GLY C C 177.24 . . 581 551 134 GLY CA C 46.444 . . 582 551 134 GLY N N 110.20 . . 583 552 135 GLN H H 7.792 . . 584 552 135 GLN C C 178.02 . . 585 552 135 GLN CA C 58.868 . . 586 552 135 GLN CB C 28.597 . . 587 552 135 GLN N N 122.39 . . 588 553 136 ARG H H 8.518 . . 589 553 136 ARG C C 178.39 . . 590 553 136 ARG CA C 59.610 . . 591 553 136 ARG CB C 29.217 . . 592 553 136 ARG N N 118.50 . . 593 554 137 ALA H H 8.218 . . 594 554 137 ALA C C 181.08 . . 595 554 137 ALA CA C 54.372 . . 596 554 137 ALA CB C 17.610 . . 597 554 137 ALA N N 121.40 . . 598 555 138 ARG H H 7.750 . . 599 555 138 ARG C C 177.71 . . 600 555 138 ARG CA C 60.376 . . 601 555 138 ARG CB C 29.100 . . 602 555 138 ARG N N 118.10 . . 603 556 139 ILE H H 8.230 . . 604 556 139 ILE C C 175.94 . . 605 556 139 ILE CA C 64.264 . . 606 556 139 ILE CB C 36.029 . . 607 556 139 ILE N N 119.69 . . 608 557 140 SER H H 7.921 . . 609 557 140 SER CA C 60.687 . . 610 557 140 SER CB C 61.952 . . 611 557 140 SER N N 114.09 . . 612 559 142 ALA CA C 54.679 . . 613 560 143 ARG H H 8.162 . . 614 560 143 ARG CA C 57.250 . . 615 560 143 ARG N N 117.50 . . 616 561 144 ALA H H 7.244 . . 617 561 144 ALA CA C 53.300 . . 618 561 144 ALA N N 118.74 . . 619 562 145 VAL H H 8.372 . . 620 562 145 VAL CA C 63.328 . . 621 562 145 VAL N N 115.03 . . 622 563 146 TYR H H 8.763 . . 623 563 146 TYR C C 176.77 . . 624 563 146 TYR CA C 61.486 . . 625 563 146 TYR CB C 37.513 . . 626 563 146 TYR N N 120.29 . . 627 564 147 LYS H H 6.802 . . 628 564 147 LYS HZ H 7.038 . . 629 564 147 LYS C C 175.04 . . 630 564 147 LYS CA C 56.583 . . 631 564 147 LYS CB C 31.578 . . 632 564 147 LYS N N 118.58 . . 633 565 148 ASP H H 8.793 . . 634 565 148 ASP C C 173.33 . . 635 565 148 ASP CA C 54.155 . . 636 565 148 ASP CB C 40.118 . . 637 565 148 ASP N N 127.40 . . 638 566 149 ALA H H 7.822 . . 639 566 149 ALA C C 173.76 . . 640 566 149 ALA CA C 49.358 . . 641 566 149 ALA CB C 20.096 . . 642 566 149 ALA N N 127.38 . . 643 567 150 ASP H H 7.789 . . 644 567 150 ASP C C 174.75 . . 645 567 150 ASP CA C 55.012 . . 646 567 150 ASP CB C 41.999 . . 647 567 150 ASP N N 116.96 . . 648 568 151 LEU H H 7.554 . . 649 568 151 LEU CA C 52.965 . . 650 568 151 LEU CB C 43.219 . . 651 568 151 LEU N N 120.40 . . 652 569 152 TYR H H 8.576 . . 653 569 152 TYR CA C 56.250 . . 654 569 152 TYR CB C 39.249 . . 655 569 152 TYR N N 124.37 . . 656 570 153 LEU H H 9.151 . . 657 570 153 LEU CA C 52.060 . . 658 570 153 LEU CB C 41.230 . . 659 570 153 LEU N N 123.21 . . 660 571 154 LEU H H 9.446 . . 661 571 154 LEU C C 173.02 . . 662 571 154 LEU CA C 52.114 . . 663 571 154 LEU CB C 41.638 . . 664 571 154 LEU N N 124.04 . . 665 572 155 ASP H H 8.511 . . 666 572 155 ASP C C 172.39 . . 667 572 155 ASP CA C 51.940 . . 668 572 155 ASP CB C 39.671 . . 669 572 155 ASP N N 126.44 . . 670 573 156 SER H H 7.296 . . 671 573 156 SER CA C 56.510 . . 672 573 156 SER CB C 61.080 . . 673 573 156 SER N N 113.66 . . 674 577 160 TYR C C 175.32 . . 675 577 160 TYR CA C 58.262 . . 676 578 161 LEU H H 7.566 . . 677 578 161 LEU C C 176.67 . . 678 578 161 LEU CA C 53.238 . . 679 578 161 LEU CB C 42.130 . . 680 578 161 LEU N N 118.28 . . 681 579 162 ASP H H 8.213 . . 682 579 162 ASP C C 175.53 . . 683 579 162 ASP CA C 52.596 . . 684 579 162 ASP CB C 40.863 . . 685 579 162 ASP N N 120.22 . . 686 580 163 VAL H H 8.368 . . 687 580 163 VAL C C 178.02 . . 688 580 163 VAL CA C 64.841 . . 689 580 163 VAL CB C 30.682 . . 690 580 163 VAL N N 117.69 . . 691 581 164 LEU H H 8.063 . . 692 581 164 LEU C C 176.69 . . 693 581 164 LEU CA C 57.228 . . 694 581 164 LEU CB C 39.646 . . 695 581 164 LEU N N 121.70 . . 696 582 165 THR H H 8.080 . . 697 582 165 THR C C 175.98 . . 698 582 165 THR CA C 65.941 . . 699 582 165 THR CB C 66.625 . . 700 582 165 THR N N 118.64 . . 701 583 166 GLU H H 8.450 . . 702 583 166 GLU C C 176.01 . . 703 583 166 GLU CA C 59.383 . . 704 583 166 GLU CB C 28.782 . . 705 583 166 GLU N N 120.92 . . 706 584 167 LYS H H 7.621 . . 707 584 167 LYS C C 178.74 . . 708 584 167 LYS CA C 59.020 . . 709 584 167 LYS CB C 31.365 . . 710 584 167 LYS N N 119.16 . . 711 585 168 GLU H H 7.957 . . 712 585 168 GLU C C 179.47 . . 713 585 168 GLU CA C 58.237 . . 714 585 168 GLU CB C 28.246 . . 715 585 168 GLU N N 117.89 . . 716 586 169 ILE H H 8.470 . . 717 586 169 ILE C C 179.16 . . 718 586 169 ILE CA C 64.015 . . 719 586 169 ILE CB C 36.820 . . 720 586 169 ILE N N 119.14 . . 721 587 170 PHE H H 9.191 . . 722 587 170 PHE C C 176.61 . . 723 587 170 PHE CA C 62.131 . . 724 587 170 PHE CB C 37.386 . . 725 587 170 PHE N N 124.52 . . 726 588 171 GLU H H 8.179 . . 727 588 171 GLU C C 177.83 . . 728 588 171 GLU CA C 59.041 . . 729 588 171 GLU CB C 28.443 . . 730 588 171 GLU N N 116.63 . . 731 589 172 SER H H 8.926 . . 732 589 172 SER C C 175.81 . . 733 589 172 SER CA C 61.222 . . 734 589 172 SER CB C 62.216 . . 735 589 172 SER N N 112.39 . . 736 590 173 CYS H H 9.167 . . 737 590 173 CYS C C 173.81 . . 738 590 173 CYS CA C 59.904 . . 739 590 173 CYS CB C 26.829 . . 740 590 173 CYS N N 121.63 . . 741 591 174 VAL H H 7.121 . . 742 591 174 VAL C C 176.20 . . 743 591 174 VAL CA C 65.902 . . 744 591 174 VAL CB C 28.807 . . 745 591 174 VAL N N 115.49 . . 746 592 175 CYS H H 7.303 . . 747 592 175 CYS C C 174.93 . . 748 592 175 CYS CA C 60.676 . . 749 592 175 CYS CB C 26.517 . . 750 592 175 CYS N N 112.12 . . 751 593 176 LYS H H 6.754 . . 752 593 176 LYS C C 177.29 . . 753 593 176 LYS CA C 57.992 . . 754 593 176 LYS CB C 31.392 . . 755 593 176 LYS N N 116.87 . . 756 594 177 LEU H H 7.929 . . 757 594 177 LEU C C 178.62 . . 758 594 177 LEU CA C 58.347 . . 759 594 177 LEU CB C 40.640 . . 760 594 177 LEU N N 122.32 . . 761 595 178 MET H H 7.173 . . 762 595 178 MET C C 174.17 . . 763 595 178 MET CA C 53.841 . . 764 595 178 MET CB C 32.035 . . 765 595 178 MET N N 111.35 . . 766 596 179 ALA H H 6.761 . . 767 596 179 ALA C C 177.10 . . 768 596 179 ALA CA C 54.083 . . 769 596 179 ALA CB C 17.962 . . 770 596 179 ALA N N 118.55 . . 771 597 180 ASN H H 8.498 . . 772 597 180 ASN C C 174.66 . . 773 597 180 ASN CA C 52.630 . . 774 597 180 ASN CB C 37.442 . . 775 597 180 ASN N N 110.60 . . 776 598 181 LYS H H 7.840 . . 777 598 181 LYS C C 175.77 . . 778 598 181 LYS CA C 52.086 . . 779 598 181 LYS CB C 33.359 . . 780 598 181 LYS N N 117.97 . . 781 599 182 THR H H 8.662 . . 782 599 182 THR CA C 63.188 . . 783 599 182 THR N N 122.34 . . 784 600 183 ARG H H 9.304 . . 785 600 183 ARG CA C 53.792 . . 786 600 183 ARG CB C 34.200 . . 787 600 183 ARG N N 126.66 . . 788 601 184 ILE H H 9.000 . . 789 601 184 ILE CA C 59.943 . . 790 601 184 ILE CB C 37.885 . . 791 601 184 ILE N N 120.67 . . 792 602 185 LEU H H 9.177 . . 793 602 185 LEU CA C 51.758 . . 794 602 185 LEU CB C 45.796 . . 795 602 185 LEU N N 129.02 . . 796 603 186 VAL H H 8.915 . . 797 603 186 VAL C C 175.06 . . 798 603 186 VAL CA C 60.912 . . 799 603 186 VAL CB C 30.850 . . 800 603 186 VAL N N 129.24 . . 801 604 187 THR H H 8.543 . . 802 604 187 THR C C 170.60 . . 803 604 187 THR CA C 58.684 . . 804 604 187 THR CB C 67.445 . . 805 604 187 THR N N 121.81 . . 806 605 188 SER H H 8.102 . . 807 605 188 SER C C 173.65 . . 808 605 188 SER CA C 56.258 . . 809 605 188 SER CB C 64.007 . . 810 605 188 SER N N 117.54 . . 811 606 189 LYS H H 7.840 . . 812 606 189 LYS C C 177.36 . . 813 606 189 LYS CA C 54.180 . . 814 606 189 LYS CB C 29.719 . . 815 606 189 LYS N N 121.17 . . 816 607 190 MET H H 8.998 . . 817 607 190 MET C C 177.38 . . 818 607 190 MET CA C 57.618 . . 819 607 190 MET CB C 30.506 . . 820 607 190 MET N N 127.37 . . 821 608 191 GLU H H 9.013 . . 822 608 191 GLU C C 177.68 . . 823 608 191 GLU CA C 58.442 . . 824 608 191 GLU CB C 27.977 . . 825 608 191 GLU N N 115.66 . . 826 609 192 HIS H H 6.791 . . 827 609 192 HIS C C 177.34 . . 828 609 192 HIS CA C 54.858 . . 829 609 192 HIS CB C 30.850 . . 830 609 192 HIS N N 116.48 . . 831 610 193 LEU H H 7.385 . . 832 610 193 LEU C C 177.73 . . 833 610 193 LEU CA C 57.618 . . 834 610 193 LEU CB C 39.115 . . 835 610 193 LEU N N 117.73 . . 836 611 194 LYS H H 7.374 . . 837 611 194 LYS C C 177.18 . . 838 611 194 LYS CA C 57.715 . . 839 611 194 LYS CB C 31.342 . . 840 611 194 LYS N N 114.02 . . 841 612 195 LYS H H 6.940 . . 842 612 195 LYS C C 175.55 . . 843 612 195 LYS CA C 54.131 . . 844 612 195 LYS CB C 31.982 . . 845 612 195 LYS N N 115.63 . . 846 613 196 ALA H H 7.356 . . 847 613 196 ALA C C 176.54 . . 848 613 196 ALA CA C 51.613 . . 849 613 196 ALA CB C 18.745 . . 850 613 196 ALA N N 122.00 . . 851 614 197 ASP H H 9.013 . . 852 614 197 ASP C C 176.83 . . 853 614 197 ASP CA C 57.182 . . 854 614 197 ASP CB C 41.821 . . 855 614 197 ASP N N 120.72 . . 856 615 198 LYS H H 8.002 . . 857 615 198 LYS C C 173.12 . . 858 615 198 LYS CA C 52.872 . . 859 615 198 LYS CB C 37.541 . . 860 615 198 LYS N N 114.27 . . 861 616 199 ILE H H 9.205 . . 862 616 199 ILE CA C 59.131 . . 863 616 199 ILE CB C 41.378 . . 864 616 199 ILE N N 119.66 . . 865 617 200 LEU H H 9.088 . . 866 617 200 LEU CA C 52.664 . . 867 617 200 LEU CB C 45.246 . . 868 617 200 LEU N N 126.47 . . 869 618 201 ILE H H 9.574 . . 870 618 201 ILE C C 175.60 . . 871 618 201 ILE CA C 58.729 . . 872 618 201 ILE CB C 37.501 . . 873 618 201 ILE N N 124.64 . . 874 619 202 LEU H H 8.936 . . 875 619 202 LEU C C 176.38 . . 876 619 202 LEU CA C 52.259 . . 877 619 202 LEU CB C 44.434 . . 878 619 202 LEU N N 127.37 . . 879 620 203 HIS H H 9.230 . . 880 620 203 HIS C C 174.81 . . 881 620 203 HIS CA C 56.359 . . 882 620 203 HIS CB C 32.228 . . 883 620 203 HIS N N 118.84 . . 884 621 204 GLU H H 9.564 . . 885 621 204 GLU C C 176.04 . . 886 621 204 GLU CA C 56.407 . . 887 621 204 GLU CB C 26.325 . . 888 621 204 GLU N N 126.65 . . 889 622 205 GLY H H 7.888 . . 890 622 205 GLY C C 172.37 . . 891 622 205 GLY CA C 46.382 . . 892 622 205 GLY N N 105.19 . . 893 623 206 SER H H 7.980 . . 894 623 206 SER C C 173.39 . . 895 623 206 SER CA C 56.465 . . 896 623 206 SER CB C 64.853 . . 897 623 206 SER N N 113.85 . . 898 624 207 SER H H 9.273 . . 899 624 207 SER C C 174.06 . . 900 624 207 SER CA C 56.795 . . 901 624 207 SER CB C 61.574 . . 902 624 207 SER N N 116.16 . . 903 625 208 TYR H H 9.394 . . 904 625 208 TYR C C 175.53 . . 905 625 208 TYR CA C 58.732 . . 906 625 208 TYR CB C 38.525 . . 907 625 208 TYR N N 132.95 . . 908 626 209 PHE H H 7.888 . . 909 626 209 PHE CA C 58.006 . . 910 626 209 PHE CB C 42.017 . . 911 626 209 PHE N N 116.49 . . 912 627 210 TYR H H 7.257 . . 913 627 210 TYR C C 173.51 . . 914 627 210 TYR CA C 54.712 . . 915 627 210 TYR CB C 39.667 . . 916 627 210 TYR N N 127.41 . . 917 628 211 GLY H H 7.948 . . 918 628 211 GLY C C 171.55 . . 919 628 211 GLY CA C 44.862 . . 920 628 211 GLY N N 115.27 . . 921 629 212 THR H H 8.890 . . 922 629 212 THR C C 175.32 . . 923 629 212 THR CA C 59.813 . . 924 629 212 THR CB C 70.672 . . 925 629 212 THR N N 112.93 . . 926 630 213 PHE H H 9.435 . . 927 630 213 PHE C C 176.69 . . 928 630 213 PHE CA C 61.858 . . 929 630 213 PHE CB C 37.813 . . 930 630 213 PHE N N 121.66 . . 931 631 214 SER H H 8.621 . . 932 631 214 SER C C 176.99 . . 933 631 214 SER CA C 60.767 . . 934 631 214 SER CB C 61.577 . . 935 631 214 SER N N 112.68 . . 936 632 215 GLU H H 7.447 . . 937 632 215 GLU C C 178.31 . . 938 632 215 GLU CA C 58.041 . . 939 632 215 GLU CB C 28.495 . . 940 632 215 GLU N N 120.90 . . 941 633 216 LEU H H 7.892 . . 942 633 216 LEU C C 177.58 . . 943 633 216 LEU CA C 56.859 . . 944 633 216 LEU CB C 38.906 . . 945 633 216 LEU N N 123.46 . . 946 634 217 GLN H H 7.680 . . 947 634 217 GLN C C 176.82 . . 948 634 217 GLN CA C 57.177 . . 949 634 217 GLN CB C 27.714 . . 950 634 217 GLN N N 114.66 . . 951 635 218 ASN H H 7.244 . . 952 635 218 ASN C C 175.81 . . 953 635 218 ASN CA C 53.996 . . 954 635 218 ASN CB C 38.490 . . 955 635 218 ASN N N 114.38 . . 956 636 219 LEU H H 7.796 . . 957 636 219 LEU C C 177.25 . . 958 636 219 LEU CA C 55.541 . . 959 636 219 LEU CB C 41.874 . . 960 636 219 LEU N N 119.53 . . 961 637 220 GLN H H 8.261 . . 962 637 220 GLN CA C 52.769 . . 963 637 220 GLN CB C 27.454 . . 964 637 220 GLN N N 117.47 . . 965 638 221 PRO C C 177.10 . . 966 638 221 PRO CA C 63.857 . . 967 638 221 PRO CB C 30.577 . . 968 639 222 ASP H H 8.350 . . 969 639 222 ASP C C 176.65 . . 970 639 222 ASP CA C 53.269 . . 971 639 222 ASP CB C 39.271 . . 972 639 222 ASP N N 117.03 . . 973 640 223 PHE H H 7.991 . . 974 640 223 PHE C C 176.13 . . 975 640 223 PHE CA C 59.222 . . 976 640 223 PHE CB C 37.765 . . 977 640 223 PHE N N 120.53 . . 978 641 224 SER H H 7.842 . . 979 641 224 SER C C 175.42 . . 980 641 224 SER CA C 59.359 . . 981 641 224 SER CB C 62.108 . . 982 641 224 SER N N 116.17 . . 983 642 225 SER H H 8.025 . . 984 642 225 SER C C 175.32 . . 985 642 225 SER CA C 59.450 . . 986 642 225 SER CB C 62.213 . . 987 642 225 SER N N 116.98 . . 988 643 226 LYS H H 7.793 . . 989 643 226 LYS C C 176.61 . . 990 643 226 LYS CA C 55.996 . . 991 643 226 LYS CB C 31.046 . . 992 643 226 LYS N N 120.98 . . 993 644 227 LEU H H 7.543 . . 994 644 227 LEU C C 176.54 . . 995 644 227 LEU CA C 54.633 . . 996 644 227 LEU CB C 40.885 . . 997 644 227 LEU N N 118.61 . . 998 645 228 MET H H 7.758 . . 999 645 228 MET C C 175.29 . . 1000 645 228 MET CA C 54.633 . . 1001 645 228 MET CB C 32.191 . . 1002 645 228 MET N N 117.05 . . 1003 646 229 GLY H H 7.825 . . 1004 646 229 GLY CA C 45.544 . . 1005 646 229 GLY N N 114.85 . . stop_ save_