data_19885 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N; and VL 13CH3 Side-chain Chemical Shift Assignments for SENP1 Catalytic Domain ; _BMRB_accession_number 19885 _BMRB_flat_file_name bmr19885.str _Entry_type original _Submission_date 2014-04-01 _Accession_date 2014-04-01 _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 Namanja Andrew T. . 2 Chen Chih-Hong . . 3 Chen Yuan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 273 "13C chemical shifts" 609 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19083 'Backbone 1H, 13C, and 15N; and VL 13CH3 Side-chain Chemical Shift Assignments for Mutant SENP1 C603S Catalytic Domain' stop_ _Original_release_date 2014-09-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformational flexibility and changes underlying activation of the SUMO-specific protease SENP1 by remote substrate binding' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Chih-Hong . . 2 Namanja Andrew T . 3 Chen Yuan . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword Allostery NMR SENP SUMO Ubiquitin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SENP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SENP1 $SENP1 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_SENP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SENP1 _Molecular_mass 28608 _Mol_thiol_state 'all free' loop_ _Biological_function 'SUMO1/sentrin specific peptidase 1' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; MHHHHHHENLYFQGEFPEIT EEMEKEIKNVFRNGNQDEVL SEAFRLTITRKDIQTLNHLN WLNDEIINFYMNMLMERSKE KGLPSVHAFNTFFFTKLKTA GYQAVKRWTKKVDVFSVDIL LVPIHLGVHWCLAVVDFRKK NITYYDSMGGINNEACRILL QYLKQESIDKKRKEFDTNGW QLFSKKSQEIPQQMNGSDCG MFACKYADCITKDRPINFTQ QHMPYFRKRMVWEILHRKLL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -14 MET 2 -13 HIS 3 -12 HIS 4 -11 HIS 5 -10 HIS 6 -9 HIS 7 -8 HIS 8 -7 GLU 9 -6 ASN 10 -5 LEU 11 -4 TYR 12 -3 PHE 13 -2 GLN 14 -1 GLY 15 419 GLU 16 420 PHE 17 421 PRO 18 422 GLU 19 423 ILE 20 424 THR 21 425 GLU 22 426 GLU 23 427 MET 24 428 GLU 25 429 LYS 26 430 GLU 27 431 ILE 28 432 LYS 29 433 ASN 30 434 VAL 31 435 PHE 32 436 ARG 33 437 ASN 34 438 GLY 35 439 ASN 36 440 GLN 37 441 ASP 38 442 GLU 39 443 VAL 40 444 LEU 41 445 SER 42 446 GLU 43 447 ALA 44 448 PHE 45 449 ARG 46 450 LEU 47 451 THR 48 452 ILE 49 453 THR 50 454 ARG 51 455 LYS 52 456 ASP 53 457 ILE 54 458 GLN 55 459 THR 56 460 LEU 57 461 ASN 58 462 HIS 59 463 LEU 60 464 ASN 61 465 TRP 62 466 LEU 63 467 ASN 64 468 ASP 65 469 GLU 66 470 ILE 67 471 ILE 68 472 ASN 69 473 PHE 70 474 TYR 71 475 MET 72 476 ASN 73 477 MET 74 478 LEU 75 479 MET 76 480 GLU 77 481 ARG 78 482 SER 79 483 LYS 80 484 GLU 81 485 LYS 82 486 GLY 83 487 LEU 84 488 PRO 85 489 SER 86 490 VAL 87 491 HIS 88 492 ALA 89 493 PHE 90 494 ASN 91 495 THR 92 496 PHE 93 497 PHE 94 498 PHE 95 499 THR 96 500 LYS 97 501 LEU 98 502 LYS 99 503 THR 100 504 ALA 101 505 GLY 102 506 TYR 103 507 GLN 104 508 ALA 105 509 VAL 106 510 LYS 107 511 ARG 108 512 TRP 109 513 THR 110 514 LYS 111 515 LYS 112 516 VAL 113 517 ASP 114 518 VAL 115 519 PHE 116 520 SER 117 521 VAL 118 522 ASP 119 523 ILE 120 524 LEU 121 525 LEU 122 526 VAL 123 527 PRO 124 528 ILE 125 529 HIS 126 530 LEU 127 531 GLY 128 532 VAL 129 533 HIS 130 534 TRP 131 535 CYS 132 536 LEU 133 537 ALA 134 538 VAL 135 539 VAL 136 540 ASP 137 541 PHE 138 542 ARG 139 543 LYS 140 544 LYS 141 545 ASN 142 546 ILE 143 547 THR 144 548 TYR 145 549 TYR 146 550 ASP 147 551 SER 148 552 MET 149 553 GLY 150 554 GLY 151 555 ILE 152 556 ASN 153 557 ASN 154 558 GLU 155 559 ALA 156 560 CYS 157 561 ARG 158 562 ILE 159 563 LEU 160 564 LEU 161 565 GLN 162 566 TYR 163 567 LEU 164 568 LYS 165 569 GLN 166 570 GLU 167 571 SER 168 572 ILE 169 573 ASP 170 574 LYS 171 575 LYS 172 576 ARG 173 577 LYS 174 578 GLU 175 579 PHE 176 580 ASP 177 581 THR 178 582 ASN 179 583 GLY 180 584 TRP 181 585 GLN 182 586 LEU 183 587 PHE 184 588 SER 185 589 LYS 186 590 LYS 187 591 SER 188 592 GLN 189 593 GLU 190 594 ILE 191 595 PRO 192 596 GLN 193 597 GLN 194 598 MET 195 599 ASN 196 600 GLY 197 601 SER 198 602 ASP 199 603 CYS 200 604 GLY 201 605 MET 202 606 PHE 203 607 ALA 204 608 CYS 205 609 LYS 206 610 TYR 207 611 ALA 208 612 ASP 209 613 CYS 210 614 ILE 211 615 THR 212 616 LYS 213 617 ASP 214 618 ARG 215 619 PRO 216 620 ILE 217 621 ASN 218 622 PHE 219 623 THR 220 624 GLN 221 625 GLN 222 626 HIS 223 627 MET 224 628 PRO 225 629 TYR 226 630 PHE 227 631 ARG 228 632 LYS 229 633 ARG 230 634 MET 231 635 VAL 232 636 TRP 233 637 GLU 234 638 ILE 235 639 LEU 236 640 HIS 237 641 ARG 238 642 LYS 239 643 LEU 240 644 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19083 SENP1 100.00 240 99.58 99.58 1.04e-178 PDB 2CKG "The Structure Of Senp1 Sumo-2 Co-Complex Suggests A Structural Basis For Discrimination Between Sumo Paralogues During Processi" 94.17 225 99.56 99.56 6.34e-165 PDB 2CKH "Senp1-sumo2 Complex" 94.17 225 99.56 99.56 6.34e-165 PDB 2G4D "Crystal Structure Of Human Senp1 Mutant (C603s) In Complex With Sumo-1" 85.42 205 99.51 99.51 7.06e-150 PDB 2IY0 "Senp1 (Mutant) Sumo1 Rangap" 94.17 226 99.56 99.56 1.61e-166 PDB 2IY1 "Senp1 (Mutant) Full Length Sumo1" 94.17 226 99.56 99.56 1.61e-166 PDB 2IYC "Senp1 Native Structure" 94.17 226 100.00 100.00 1.57e-167 PDB 2IYD "Senp1 Covalent Complex With Sumo-2" 94.17 226 100.00 100.00 1.57e-167 PDB 2XPH "Crystal Structure Of Human Senp1 With The Bound Cobalt" 95.00 238 99.12 99.56 9.73e-168 PDB 2XRE "Detection Of Cobalt In Previously Unassigned Human Senp1 Structure" 95.00 230 99.12 99.56 1.39e-167 DBJ BAC26011 "unnamed protein product [Mus musculus]" 95.00 640 97.37 99.12 3.17e-163 DBJ BAC26106 "unnamed protein product [Mus musculus]" 95.00 319 97.37 99.12 1.04e-166 DBJ BAC40442 "unnamed protein product [Mus musculus]" 95.00 640 96.93 98.68 3.41e-162 DBJ BAF84749 "unnamed protein product [Homo sapiens]" 95.00 644 99.12 99.56 5.38e-166 EMBL CAH90949 "hypothetical protein [Pongo abelii]" 95.00 645 99.12 99.56 4.92e-166 GB AAF31171 "sentrin/SUMO-specific protease [Homo sapiens]" 95.00 643 98.68 99.12 1.98e-163 GB AAH23129 "SUMO1/sentrin specific peptidase 1 [Mus musculus]" 95.00 640 97.37 99.12 3.17e-163 GB AAH45639 "SUMO1/sentrin specific peptidase 1 [Homo sapiens]" 95.00 644 99.12 99.56 6.61e-166 GB AIC60034 "SENP1, partial [synthetic construct]" 95.00 644 99.12 99.56 6.61e-166 GB EAW57971 "SUMO1/sentrin specific peptidase 1, isoform CRA_a [Homo sapiens]" 95.00 675 98.68 99.12 6.54e-163 REF NP_001129011 "sentrin-specific protease 1 [Pongo abelii]" 95.00 645 99.12 99.56 4.92e-166 REF NP_001193805 "sentrin-specific protease 1 [Bos taurus]" 95.00 645 98.25 99.12 1.33e-164 REF NP_001254523 "sentrin-specific protease 1 [Homo sapiens]" 95.00 644 99.12 99.56 5.38e-166 REF NP_001254524 "sentrin-specific protease 1 [Homo sapiens]" 95.00 644 99.12 99.56 5.38e-166 REF NP_659100 "sentrin-specific protease 1 [Mus musculus]" 95.00 640 97.37 99.12 3.17e-163 SP P59110 "RecName: Full=Sentrin-specific protease 1; AltName: Full=SUMO-1 protease 2; Short=SuPr-2; AltName: Full=Sentrin/SUMO-specific p" 95.00 640 97.37 99.12 3.17e-163 SP Q5RBB1 "RecName: Full=Sentrin-specific protease 1; AltName: Full=Sentrin/SUMO-specific protease SENP1" 95.00 645 99.12 99.56 4.92e-166 SP Q9P0U3 "RecName: Full=Sentrin-specific protease 1; AltName: Full=Sentrin/SUMO-specific protease SENP1" 95.00 644 99.12 99.56 5.38e-166 TPG DAA29877 "TPA: SUMO1/sentrin specific peptidase 1 [Bos taurus]" 95.00 646 98.25 99.12 1.38e-164 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SENP1 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 $SENP1 'recombinant technology' . Escherichia coli BL21(DE3) pET11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'For stereospecific assignments of Val/Leu methyls' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SENP1 0.4 mM 0.3 0.5 '[U-10% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'U-13C, U-15N, U-2H sample contained selective 1H at Val and Leu methyl groups. 6M GuHCl unfolded and refolded in NMR buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $SENP1 0.4 mM 0.3 0.5 '[U-10% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3 loop_ _Vendor _Address _Electronic_address Goddard . . 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 600 _Details 'TXI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_HMCM-VAL_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HMCM-VAL' _Sample_label $sample_2 save_ save_2D_HMCM-LEU_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HMCM-LEU' _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 pH 6.8 0.1 pH pressure 1 . atm temperature 295 0.1 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(COCA)CB' '3D HNCA' '3D HN(CO)CA' '3D H(CCO)NH' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '2D HMCM-VAL' '2D HMCM-LEU' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SENP1 _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 1 419 15 GLU H H 8.056 0.005 . 2 419 15 GLU C C 175.803 0.060 . 3 419 15 GLU CA C 56.635 0.060 . 4 419 15 GLU CB C 29.326 0.033 . 5 419 15 GLU N N 120.257 0.048 . 6 420 16 PHE H H 8.035 0.004 . 7 420 16 PHE C C 173.207 0.060 . 8 420 16 PHE CA C 54.951 0.018 . 9 420 16 PHE CB C 37.882 0.060 . 10 420 16 PHE N N 118.648 0.081 . 11 422 18 GLU H H 8.637 0.008 . 12 422 18 GLU C C 176.111 0.060 . 13 422 18 GLU CA C 56.498 0.029 . 14 422 18 GLU CB C 29.476 0.035 . 15 422 18 GLU N N 124.065 0.057 . 16 423 19 ILE H H 8.522 0.008 . 17 423 19 ILE C C 176.659 0.060 . 18 423 19 ILE CA C 60.725 0.060 . 19 423 19 ILE CB C 35.427 0.006 . 20 423 19 ILE N N 122.041 0.054 . 21 424 20 THR H H 7.633 0.007 . 22 424 20 THR C C 174.725 0.060 . 23 424 20 THR CB C 70.292 0.006 . 24 424 20 THR N N 121.188 0.045 . 25 425 21 GLU H H 8.913 0.006 . 26 425 21 GLU CA C 59.696 0.060 . 27 425 21 GLU CB C 28.462 0.013 . 28 425 21 GLU N N 120.900 0.051 . 29 426 22 GLU H H 8.419 0.007 . 30 426 22 GLU C C 179.787 0.060 . 31 426 22 GLU CA C 59.444 0.027 . 32 426 22 GLU N N 118.024 0.050 . 33 427 23 MET H H 7.366 0.008 . 34 427 23 MET C C 177.912 0.060 . 35 427 23 MET CB C 33.371 0.083 . 36 427 23 MET N N 119.301 0.055 . 37 428 24 GLU H H 8.605 0.006 . 38 428 24 GLU C C 178.828 0.060 . 39 428 24 GLU CB C 28.410 0.015 . 40 428 24 GLU N N 118.580 0.056 . 41 429 25 LYS H H 7.858 0.008 . 42 429 25 LYS C C 178.978 0.060 . 43 429 25 LYS CA C 59.488 0.039 . 44 429 25 LYS CB C 31.407 0.046 . 45 429 25 LYS N N 118.101 0.073 . 46 430 26 GLU H H 7.356 0.007 . 47 430 26 GLU C C 179.111 0.001 . 48 430 26 GLU CB C 29.584 0.026 . 49 430 26 GLU N N 119.087 0.072 . 50 431 27 ILE H H 8.075 0.008 . 51 431 27 ILE C C 176.796 0.060 . 52 431 27 ILE CA C 64.567 0.060 . 53 431 27 ILE CB C 38.123 0.064 . 54 431 27 ILE N N 119.774 0.106 . 55 432 28 LYS H H 8.320 0.012 . 56 432 28 LYS C C 180.185 0.060 . 57 432 28 LYS CA C 59.195 0.083 . 58 432 28 LYS CB C 31.197 0.017 . 59 432 28 LYS N N 116.686 0.095 . 60 433 29 ASN H H 7.635 0.009 . 61 433 29 ASN C C 178.466 0.060 . 62 433 29 ASN CA C 55.822 0.038 . 63 433 29 ASN CB C 37.950 0.004 . 64 433 29 ASN N N 114.913 0.065 . 65 434 30 VAL H H 7.548 0.012 . 66 434 30 VAL HG1 H 0.724 0.007 . 67 434 30 VAL HG2 H 0.725 0.007 . 68 434 30 VAL C C 176.412 0.060 . 69 434 30 VAL CA C 64.189 0.112 . 70 434 30 VAL CB C 30.396 0.004 . 71 434 30 VAL CG1 C 22.475 0.060 . 72 434 30 VAL CG2 C 21.674 0.060 . 73 434 30 VAL N N 114.740 0.101 . 74 435 31 PHE H H 7.344 0.007 . 75 435 31 PHE C C 177.180 0.060 . 76 435 31 PHE CA C 55.321 0.060 . 77 435 31 PHE CB C 37.701 0.060 . 78 435 31 PHE N N 117.562 0.065 . 79 436 32 ARG H H 7.225 0.017 . 80 436 32 ARG C C 176.099 0.060 . 81 436 32 ARG CA C 56.384 0.021 . 82 436 32 ARG CB C 30.009 0.026 . 83 436 32 ARG N N 118.730 0.041 . 84 437 33 ASN H H 8.252 0.019 . 85 437 33 ASN CA C 53.605 0.083 . 86 437 33 ASN CB C 38.193 0.060 . 87 437 33 ASN N N 119.685 0.048 . 88 438 34 GLY H H 8.080 0.008 . 89 438 34 GLY C C 172.725 0.060 . 90 438 34 GLY CA C 44.807 0.024 . 91 438 34 GLY N N 109.481 0.042 . 92 439 35 ASN H H 8.737 0.007 . 93 439 35 ASN CA C 52.847 0.047 . 94 439 35 ASN CB C 37.175 0.055 . 95 439 35 ASN N N 120.443 0.058 . 96 440 36 GLN H H 9.022 0.008 . 97 440 36 GLN C C 175.605 0.060 . 98 440 36 GLN CA C 58.040 0.056 . 99 440 36 GLN CB C 28.495 0.020 . 100 440 36 GLN N N 125.590 0.045 . 101 441 37 ASP H H 7.969 0.008 . 102 441 37 ASP C C 175.450 0.060 . 103 441 37 ASP CA C 53.428 0.058 . 104 441 37 ASP CB C 40.409 0.018 . 105 441 37 ASP N N 114.845 0.060 . 106 442 38 GLU H H 7.143 0.008 . 107 442 38 GLU C C 175.905 0.060 . 108 442 38 GLU CA C 56.501 0.068 . 109 442 38 GLU CB C 30.044 0.038 . 110 442 38 GLU N N 121.501 0.051 . 111 443 39 VAL H H 8.650 0.009 . 112 443 39 VAL HG1 H 0.721 0.007 . 113 443 39 VAL HG2 H 0.882 0.007 . 114 443 39 VAL CA C 64.020 0.079 . 115 443 39 VAL CB C 31.155 0.012 . 116 443 39 VAL CG1 C 21.487 0.060 . 117 443 39 VAL CG2 C 21.844 0.060 . 118 443 39 VAL N N 127.026 0.053 . 119 444 40 LEU H H 9.012 0.008 . 120 444 40 LEU HD1 H 0.590 0.007 . 121 444 40 LEU HD2 H 0.597 0.007 . 122 444 40 LEU C C 176.790 0.060 . 123 444 40 LEU CA C 54.051 0.009 . 124 444 40 LEU CB C 43.293 0.037 . 125 444 40 LEU CD1 C 27.029 0.060 . 126 444 40 LEU CD2 C 21.807 0.060 . 127 444 40 LEU N N 127.296 0.058 . 128 445 41 SER H H 7.412 0.008 . 129 445 41 SER C C 172.000 0.060 . 130 445 41 SER CA C 57.432 0.060 . 131 445 41 SER CB C 64.093 0.004 . 132 445 41 SER N N 111.726 0.066 . 133 446 42 GLU H H 7.933 0.008 . 134 446 42 GLU C C 174.257 0.060 . 135 446 42 GLU CA C 55.317 0.073 . 136 446 42 GLU CB C 31.965 0.017 . 137 446 42 GLU N N 125.063 0.063 . 138 447 43 ALA H H 8.286 0.008 . 139 447 43 ALA C C 176.087 0.060 . 140 447 43 ALA CA C 51.875 0.069 . 141 447 43 ALA CB C 18.979 0.001 . 142 447 43 ALA N N 124.213 0.068 . 143 448 44 PHE H H 8.610 0.008 . 144 448 44 PHE C C 175.788 0.060 . 145 448 44 PHE CA C 56.316 0.032 . 146 448 44 PHE CB C 36.029 0.011 . 147 448 44 PHE N N 115.367 0.066 . 148 449 45 ARG H H 8.484 0.009 . 149 449 45 ARG C C 175.491 0.060 . 150 449 45 ARG CA C 57.675 0.071 . 151 449 45 ARG CB C 26.229 0.060 . 152 449 45 ARG N N 110.844 0.055 . 153 450 46 LEU H H 8.389 0.008 . 154 450 46 LEU HD1 H 0.890 0.007 . 155 450 46 LEU HD2 H 0.948 0.007 . 156 450 46 LEU C C 176.645 0.060 . 157 450 46 LEU CA C 53.763 0.049 . 158 450 46 LEU CB C 44.035 0.007 . 159 450 46 LEU CD1 C 25.813 0.060 . 160 450 46 LEU CD2 C 22.437 0.060 . 161 450 46 LEU N N 121.623 0.063 . 162 451 47 THR H H 8.315 0.008 . 163 451 47 THR C C 173.407 0.060 . 164 451 47 THR CA C 60.834 0.059 . 165 451 47 THR CB C 71.178 0.025 . 166 451 47 THR N N 113.296 0.077 . 167 452 48 ILE H H 8.521 0.007 . 168 452 48 ILE C C 176.082 0.060 . 169 452 48 ILE CA C 56.522 0.044 . 170 452 48 ILE CB C 36.082 0.004 . 171 452 48 ILE N N 124.173 0.067 . 172 453 49 THR H H 9.811 0.010 . 173 453 49 THR CA C 59.709 0.048 . 174 453 49 THR CB C 72.939 0.024 . 175 453 49 THR N N 119.807 0.060 . 176 454 50 ARG H H 8.211 0.006 . 177 454 50 ARG C C 177.392 0.060 . 178 454 50 ARG CA C 60.137 0.005 . 179 454 50 ARG CB C 28.989 0.060 . 180 454 50 ARG N N 122.061 0.072 . 181 455 51 LYS H H 8.504 0.006 . 182 455 51 LYS C C 178.628 0.060 . 183 455 51 LYS CA C 59.289 0.032 . 184 455 51 LYS CB C 31.114 0.032 . 185 455 51 LYS N N 119.122 0.100 . 186 456 52 ASP H H 7.271 0.008 . 187 456 52 ASP CA C 57.369 0.061 . 188 456 52 ASP CB C 40.809 0.023 . 189 456 52 ASP N N 117.779 0.085 . 190 457 53 ILE H H 8.159 0.005 . 191 457 53 ILE CA C 62.392 0.087 . 192 457 53 ILE CB C 37.060 0.060 . 193 457 53 ILE N N 121.588 0.051 . 194 458 54 GLN H H 7.923 0.008 . 195 458 54 GLN C C 178.732 0.060 . 196 458 54 GLN CA C 57.804 0.042 . 197 458 54 GLN CB C 26.567 0.014 . 198 458 54 GLN N N 117.897 0.072 . 199 459 55 THR H H 7.897 0.009 . 200 459 55 THR CA C 65.051 0.055 . 201 459 55 THR CB C 67.395 0.023 . 202 459 55 THR N N 113.263 0.093 . 203 460 56 LEU H H 7.253 0.008 . 204 460 56 LEU HD1 H 0.820 0.007 . 205 460 56 LEU HD2 H 0.925 0.007 . 206 460 56 LEU C C 179.644 0.060 . 207 460 56 LEU CA C 54.923 0.059 . 208 460 56 LEU CB C 41.723 0.078 . 209 460 56 LEU CD1 C 25.968 0.060 . 210 460 56 LEU CD2 C 25.889 0.060 . 211 460 56 LEU N N 115.083 0.092 . 212 461 57 ASN H H 7.421 0.008 . 213 461 57 ASN CA C 51.888 0.077 . 214 461 57 ASN CB C 37.194 0.024 . 215 461 57 ASN N N 119.845 0.055 . 216 462 58 HIS H H 7.773 0.007 . 217 462 58 HIS CB C 28.992 0.060 . 218 462 58 HIS N N 119.821 0.082 . 219 465 61 TRP HE1 H 10.206 0.007 . 220 465 61 TRP NE1 N 130.435 0.060 . 221 466 62 LEU HD1 H 0.634 0.007 . 222 466 62 LEU HD2 H 0.563 0.007 . 223 466 62 LEU CD1 C 25.446 0.060 . 224 466 62 LEU CD2 C 23.298 0.060 . 225 467 63 ASN H H 7.164 0.009 . 226 467 63 ASN C C 174.619 0.060 . 227 467 63 ASN CA C 50.295 0.079 . 228 467 63 ASN CB C 39.556 0.030 . 229 467 63 ASN N N 116.901 0.069 . 230 468 64 ASP H H 8.246 0.007 . 231 468 64 ASP CA C 57.481 0.074 . 232 468 64 ASP CB C 40.531 0.058 . 233 468 64 ASP N N 115.434 0.055 . 234 469 65 GLU H H 8.991 0.011 . 235 469 65 GLU C C 179.948 0.060 . 236 469 65 GLU CA C 60.578 0.042 . 237 469 65 GLU CB C 27.414 0.023 . 238 469 65 GLU N N 119.089 0.057 . 239 470 66 ILE H H 7.753 0.009 . 240 470 66 ILE C C 177.040 0.060 . 241 470 66 ILE CA C 61.231 0.048 . 242 470 66 ILE CB C 34.744 0.009 . 243 470 66 ILE N N 117.845 0.054 . 244 471 67 ILE H H 6.974 0.010 . 245 471 67 ILE CA C 64.903 0.060 . 246 471 67 ILE N N 117.941 0.073 . 247 472 68 ASN H H 9.030 0.010 . 248 472 68 ASN C C 178.288 0.060 . 249 472 68 ASN CA C 56.070 0.035 . 250 472 68 ASN CB C 37.624 0.011 . 251 472 68 ASN N N 115.254 0.063 . 252 473 69 PHE H H 8.304 0.005 . 253 473 69 PHE C C 177.436 0.060 . 254 473 69 PHE CA C 62.584 0.065 . 255 473 69 PHE CB C 39.667 0.034 . 256 473 69 PHE N N 123.630 0.065 . 257 474 70 TYR H H 8.774 0.008 . 258 474 70 TYR C C 178.151 0.060 . 259 474 70 TYR CA C 62.784 0.020 . 260 474 70 TYR CB C 38.335 0.048 . 261 474 70 TYR N N 120.467 0.072 . 262 475 71 MET H H 8.709 0.005 . 263 475 71 MET C C 179.367 0.060 . 264 475 71 MET CA C 57.325 0.057 . 265 475 71 MET CB C 31.041 0.015 . 266 475 71 MET N N 115.346 0.092 . 267 476 72 ASN H H 7.371 0.007 . 268 476 72 ASN C C 177.604 0.060 . 269 476 72 ASN CA C 56.292 0.045 . 270 476 72 ASN CB C 37.912 0.060 . 271 476 72 ASN N N 117.074 0.084 . 272 477 73 MET H H 7.664 0.006 . 273 477 73 MET C C 179.545 0.060 . 274 477 73 MET CA C 59.952 0.060 . 275 477 73 MET CB C 31.504 0.060 . 276 477 73 MET N N 121.465 0.048 . 277 478 74 LEU H H 7.767 0.009 . 278 478 74 LEU HD1 H 0.658 0.007 . 279 478 74 LEU HD2 H 0.411 0.007 . 280 478 74 LEU C C 180.857 0.060 . 281 478 74 LEU CA C 57.471 0.026 . 282 478 74 LEU CB C 39.790 0.013 . 283 478 74 LEU CD1 C 27.340 0.060 . 284 478 74 LEU CD2 C 22.112 0.060 . 285 478 74 LEU N N 119.925 0.067 . 286 479 75 MET H H 7.603 0.006 . 287 479 75 MET C C 179.134 0.060 . 288 479 75 MET CA C 59.413 0.078 . 289 479 75 MET CB C 32.433 0.002 . 290 479 75 MET N N 118.957 0.078 . 291 480 76 GLU H H 8.059 0.006 . 292 480 76 GLU CA C 59.225 0.048 . 293 480 76 GLU CB C 28.370 0.030 . 294 480 76 GLU N N 122.932 0.068 . 295 481 77 ARG H H 7.917 0.007 . 296 481 77 ARG C C 176.421 0.060 . 297 481 77 ARG CA C 58.251 0.056 . 298 481 77 ARG CB C 28.749 0.060 . 299 481 77 ARG N N 120.662 0.063 . 300 482 78 SER H H 7.201 0.009 . 301 482 78 SER C C 172.394 0.060 . 302 482 78 SER CA C 60.255 0.058 . 303 482 78 SER CB C 63.102 0.002 . 304 482 78 SER N N 113.273 0.073 . 305 483 79 LYS H H 6.968 0.008 . 306 483 79 LYS C C 178.176 0.060 . 307 483 79 LYS CA C 56.793 0.038 . 308 483 79 LYS CB C 31.687 0.023 . 309 483 79 LYS N N 118.755 0.096 . 310 484 80 GLU H H 8.114 0.007 . 311 484 80 GLU C C 176.653 0.060 . 312 484 80 GLU CB C 29.049 0.027 . 313 484 80 GLU N N 121.011 0.048 . 314 485 81 LYS H H 8.263 0.007 . 315 485 81 LYS C C 177.924 0.060 . 316 485 81 LYS CA C 57.550 0.036 . 317 485 81 LYS CB C 31.154 0.018 . 318 485 81 LYS N N 121.725 0.083 . 319 486 82 GLY H H 8.738 0.008 . 320 486 82 GLY C C 173.993 0.060 . 321 486 82 GLY CA C 44.731 0.033 . 322 486 82 GLY N N 111.446 0.048 . 323 487 83 LEU H H 7.357 0.009 . 324 487 83 LEU HD1 H 0.778 0.007 . 325 487 83 LEU HD2 H 0.829 0.007 . 326 487 83 LEU C C 174.966 0.060 . 327 487 83 LEU CA C 52.224 0.043 . 328 487 83 LEU CB C 40.075 0.026 . 329 487 83 LEU CD1 C 25.797 0.060 . 330 487 83 LEU CD2 C 23.228 0.060 . 331 487 83 LEU N N 121.648 0.037 . 332 489 85 SER H H 9.146 0.010 . 333 489 85 SER C C 175.307 0.060 . 334 489 85 SER CA C 57.732 0.060 . 335 489 85 SER CB C 63.976 0.060 . 336 489 85 SER N N 117.954 0.050 . 337 490 86 VAL H H 7.378 0.008 . 338 490 86 VAL HG1 H 0.555 0.007 . 339 490 86 VAL HG2 H 0.885 0.007 . 340 490 86 VAL C C 175.445 0.060 . 341 490 86 VAL CA C 59.960 0.014 . 342 490 86 VAL CB C 36.725 0.039 . 343 490 86 VAL CG1 C 21.034 0.060 . 344 490 86 VAL CG2 C 23.035 0.060 . 345 490 86 VAL N N 118.616 0.064 . 346 491 87 HIS H H 8.824 0.004 . 347 491 87 HIS C C 172.689 0.060 . 348 491 87 HIS CA C 56.457 0.030 . 349 491 87 HIS CB C 33.175 0.005 . 350 491 87 HIS N N 124.160 0.075 . 351 492 88 ALA H H 7.475 0.008 . 352 492 88 ALA C C 175.149 0.060 . 353 492 88 ALA CA C 48.933 0.059 . 354 492 88 ALA CB C 20.637 0.015 . 355 492 88 ALA N N 129.587 0.046 . 356 493 89 PHE H H 8.075 0.005 . 357 493 89 PHE CA C 57.443 0.060 . 358 493 89 PHE CB C 40.032 0.016 . 359 493 89 PHE N N 120.292 0.061 . 360 494 90 ASN H H 8.614 0.009 . 361 494 90 ASN C C 177.042 0.060 . 362 494 90 ASN CA C 52.612 0.035 . 363 494 90 ASN CB C 39.014 0.023 . 364 494 90 ASN N N 116.324 0.073 . 365 495 91 THR H H 8.712 0.007 . 366 495 91 THR CA C 65.108 0.051 . 367 495 91 THR CB C 67.954 0.017 . 368 495 91 THR N N 111.881 0.069 . 369 496 92 PHE H H 8.441 0.008 . 370 496 92 PHE C C 176.791 0.060 . 371 496 92 PHE CA C 57.589 0.027 . 372 496 92 PHE CB C 38.722 0.025 . 373 496 92 PHE N N 120.392 0.060 . 374 497 93 PHE H H 7.951 0.010 . 375 497 93 PHE C C 175.620 0.060 . 376 497 93 PHE CA C 61.468 0.047 . 377 497 93 PHE CB C 38.442 0.051 . 378 497 93 PHE N N 121.386 0.074 . 379 498 94 PHE H H 10.059 0.011 . 380 498 94 PHE C C 176.151 0.060 . 381 498 94 PHE CA C 62.450 0.073 . 382 498 94 PHE CB C 37.649 0.031 . 383 498 94 PHE N N 120.473 0.066 . 384 499 95 THR H H 7.099 0.005 . 385 499 95 THR CA C 65.751 0.024 . 386 499 95 THR CB C 68.656 0.008 . 387 499 95 THR N N 111.797 0.055 . 388 500 96 LYS H H 7.805 0.009 . 389 500 96 LYS C C 177.170 0.060 . 390 500 96 LYS CA C 58.082 0.053 . 391 500 96 LYS CB C 30.293 0.017 . 392 500 96 LYS N N 122.907 0.075 . 393 501 97 LEU H H 8.040 0.007 . 394 501 97 LEU HD1 H 0.619 0.007 . 395 501 97 LEU HD2 H 0.269 0.007 . 396 501 97 LEU CA C 56.922 0.033 . 397 501 97 LEU CB C 40.320 0.018 . 398 501 97 LEU CD1 C 21.344 0.060 . 399 501 97 LEU CD2 C 26.130 0.060 . 400 501 97 LEU N N 120.722 0.088 . 401 502 98 LYS H H 8.113 0.006 . 402 502 98 LYS C C 177.542 0.060 . 403 502 98 LYS CA C 58.359 0.061 . 404 502 98 LYS CB C 31.117 0.016 . 405 502 98 LYS N N 117.113 0.069 . 406 503 99 THR H H 7.521 0.009 . 407 503 99 THR C C 175.362 0.060 . 408 503 99 THR CA C 63.650 0.061 . 409 503 99 THR CB C 69.641 0.009 . 410 503 99 THR N N 108.626 0.039 . 411 504 100 ALA H H 8.417 0.007 . 412 504 100 ALA C C 177.923 0.060 . 413 504 100 ALA CA C 51.681 0.064 . 414 504 100 ALA CB C 19.982 0.039 . 415 504 100 ALA N N 124.229 0.075 . 416 505 101 GLY H H 7.404 0.008 . 417 505 101 GLY C C 173.703 0.060 . 418 505 101 GLY CA C 44.062 0.038 . 419 505 101 GLY N N 108.216 0.061 . 420 506 102 TYR H H 8.506 0.008 . 421 506 102 TYR C C 177.707 0.060 . 422 506 102 TYR CA C 61.372 0.045 . 423 506 102 TYR CB C 38.185 0.061 . 424 506 102 TYR N N 118.015 0.070 . 425 507 103 GLN H H 8.677 0.007 . 426 507 103 GLN C C 177.318 0.060 . 427 507 103 GLN CA C 58.073 0.054 . 428 507 103 GLN CB C 26.321 0.025 . 429 507 103 GLN N N 113.949 0.062 . 430 508 104 ALA H H 7.193 0.009 . 431 508 104 ALA C C 178.474 0.060 . 432 508 104 ALA CA C 53.059 0.080 . 433 508 104 ALA CB C 19.410 0.018 . 434 508 104 ALA N N 117.810 0.063 . 435 509 105 VAL H H 6.990 0.009 . 436 509 105 VAL HG1 H 0.152 0.007 . 437 509 105 VAL HG2 H 0.505 0.007 . 438 509 105 VAL C C 178.833 0.060 . 439 509 105 VAL CA C 59.584 0.069 . 440 509 105 VAL CB C 32.636 0.001 . 441 509 105 VAL CG1 C 19.036 0.060 . 442 509 105 VAL CG2 C 20.077 0.060 . 443 509 105 VAL N N 104.928 0.072 . 444 510 106 LYS H H 7.252 0.009 . 445 510 106 LYS C C 178.002 0.060 . 446 510 106 LYS CA C 59.235 0.093 . 447 510 106 LYS CB C 30.396 0.003 . 448 510 106 LYS N N 126.565 0.064 . 449 511 107 ARG H H 8.593 0.009 . 450 511 107 ARG CA C 56.969 0.060 . 451 511 107 ARG CB C 28.393 0.021 . 452 511 107 ARG N N 116.236 0.062 . 453 512 108 TRP H H 8.477 0.010 . 454 512 108 TRP HE1 H 10.293 0.007 . 455 512 108 TRP C C 178.179 0.060 . 456 512 108 TRP CA C 59.154 0.065 . 457 512 108 TRP CB C 27.825 0.038 . 458 512 108 TRP N N 120.092 0.058 . 459 512 108 TRP NE1 N 129.338 0.060 . 460 513 109 THR H H 7.356 0.007 . 461 513 109 THR C C 174.181 0.060 . 462 513 109 THR CA C 60.060 0.062 . 463 513 109 THR CB C 65.562 0.028 . 464 513 109 THR N N 105.836 0.061 . 465 514 110 LYS H H 7.187 0.009 . 466 514 110 LYS C C 177.271 0.060 . 467 514 110 LYS CA C 59.285 0.075 . 468 514 110 LYS CB C 31.488 0.017 . 469 514 110 LYS N N 120.770 0.055 . 470 515 111 LYS H H 8.520 0.009 . 471 515 111 LYS C C 175.550 0.060 . 472 515 111 LYS CA C 55.075 0.100 . 473 515 111 LYS CB C 31.340 0.028 . 474 515 111 LYS N N 115.267 0.057 . 475 516 112 VAL H H 7.346 0.010 . 476 516 112 VAL HG1 H 1.035 0.007 . 477 516 112 VAL HG2 H 0.828 0.007 . 478 516 112 VAL C C 173.373 0.060 . 479 516 112 VAL CA C 60.315 0.061 . 480 516 112 VAL CB C 34.794 0.019 . 481 516 112 VAL CG1 C 22.213 0.060 . 482 516 112 VAL CG2 C 19.431 0.060 . 483 516 112 VAL N N 118.521 0.052 . 484 517 113 ASP H H 8.502 0.008 . 485 517 113 ASP C C 178.171 0.060 . 486 517 113 ASP CA C 50.719 0.038 . 487 517 113 ASP CB C 39.298 0.029 . 488 517 113 ASP N N 124.325 0.062 . 489 518 114 VAL H H 8.909 0.008 . 490 518 114 VAL HG1 H 0.709 0.007 . 491 518 114 VAL HG2 H 0.246 0.007 . 492 518 114 VAL C C 173.205 0.060 . 493 518 114 VAL CA C 64.120 0.103 . 494 518 114 VAL CG1 C 21.974 0.060 . 495 518 114 VAL CG2 C 17.740 0.060 . 496 518 114 VAL N N 121.419 0.062 . 497 519 115 PHE H H 7.223 0.004 . 498 519 115 PHE C C 176.500 0.060 . 499 519 115 PHE CA C 57.900 0.014 . 500 519 115 PHE CB C 36.872 0.022 . 501 519 115 PHE N N 110.893 0.051 . 502 520 116 SER H H 7.457 0.007 . 503 520 116 SER C C 173.635 0.060 . 504 520 116 SER CB C 64.082 0.002 . 505 520 116 SER N N 113.527 0.061 . 506 521 117 VAL H H 6.675 0.009 . 507 521 117 VAL HG1 H 0.677 0.060 . 508 521 117 VAL HG2 H 0.736 0.060 . 509 521 117 VAL C C 174.363 0.060 . 510 521 117 VAL CA C 58.421 0.072 . 511 521 117 VAL CB C 33.049 0.021 . 512 521 117 VAL CG1 C 21.474 0.060 . 513 521 117 VAL CG2 C 19.203 0.060 . 514 521 117 VAL N N 114.244 0.058 . 515 522 118 ASP H H 8.177 0.007 . 516 522 118 ASP CA C 57.671 0.030 . 517 522 118 ASP CB C 42.241 0.023 . 518 522 118 ASP N N 120.102 0.040 . 519 523 119 ILE H H 8.209 0.003 . 520 523 119 ILE CA C 59.234 0.060 . 521 523 119 ILE N N 117.310 0.042 . 522 524 120 LEU H H 9.357 0.001 . 523 524 120 LEU HD1 H 0.826 0.007 . 524 524 120 LEU HD2 H 0.826 0.007 . 525 524 120 LEU CA C 51.912 0.060 . 526 524 120 LEU CB C 42.117 0.060 . 527 524 120 LEU CD1 C 24.458 0.060 . 528 524 120 LEU CD2 C 24.458 0.060 . 529 524 120 LEU N N 121.905 0.019 . 530 525 121 LEU H H 8.708 0.001 . 531 525 121 LEU HD1 H 0.737 0.007 . 532 525 121 LEU HD2 H 0.713 0.007 . 533 525 121 LEU CA C 53.109 0.060 . 534 525 121 LEU CB C 43.667 0.060 . 535 525 121 LEU CD1 C 27.473 0.060 . 536 525 121 LEU CD2 C 23.613 0.060 . 537 525 121 LEU N N 120.450 0.019 . 538 526 122 VAL H H 8.925 0.009 . 539 526 122 VAL HG1 H -0.236 0.007 . 540 526 122 VAL HG2 H 0.488 0.007 . 541 526 122 VAL CA C 59.564 0.060 . 542 526 122 VAL CB C 32.337 0.060 . 543 526 122 VAL CG1 C 20.681 0.060 . 544 526 122 VAL CG2 C 19.401 0.060 . 545 526 122 VAL N N 120.847 0.035 . 546 528 124 ILE H H 8.737 0.007 . 547 528 124 ILE CA C 60.950 0.060 . 548 528 124 ILE CB C 39.801 0.060 . 549 528 124 ILE N N 125.023 0.041 . 550 529 125 HIS H H 9.036 0.011 . 551 529 125 HIS C C 174.067 0.060 . 552 529 125 HIS CA C 50.979 0.061 . 553 529 125 HIS CB C 29.375 0.031 . 554 529 125 HIS N N 129.849 0.036 . 555 530 126 LEU H H 8.525 0.011 . 556 530 126 LEU HD1 H 0.874 0.007 . 557 530 126 LEU HD2 H 0.770 0.007 . 558 530 126 LEU C C 176.318 0.060 . 559 530 126 LEU CA C 52.799 0.028 . 560 530 126 LEU CB C 41.010 0.033 . 561 530 126 LEU CD1 C 25.841 0.060 . 562 530 126 LEU CD2 C 23.767 0.060 . 563 530 126 LEU N N 130.501 0.101 . 564 531 127 GLY H H 8.157 0.012 . 565 531 127 GLY C C 174.790 0.060 . 566 531 127 GLY CA C 46.001 0.042 . 567 531 127 GLY N N 115.336 0.056 . 568 532 128 VAL H H 8.198 0.011 . 569 532 128 VAL HG1 H 0.532 0.007 . 570 532 128 VAL HG2 H 0.584 0.007 . 571 532 128 VAL C C 175.461 0.060 . 572 532 128 VAL CA C 61.094 0.023 . 573 532 128 VAL CB C 30.784 0.022 . 574 532 128 VAL CG1 C 20.964 0.060 . 575 532 128 VAL CG2 C 18.117 0.060 . 576 532 128 VAL N N 119.810 0.072 . 577 533 129 HIS H H 7.803 0.007 . 578 533 129 HIS C C 174.498 0.060 . 579 533 129 HIS CA C 55.280 0.060 . 580 533 129 HIS CB C 32.996 0.060 . 581 533 129 HIS N N 121.771 0.068 . 582 534 130 TRP H H 6.407 0.017 . 583 534 130 TRP HE1 H 9.377 0.007 . 584 534 130 TRP CA C 55.915 0.049 . 585 534 130 TRP CB C 32.490 0.037 . 586 534 130 TRP N N 125.300 0.090 . 587 534 130 TRP NE1 N 128.192 0.060 . 588 535 131 CYS H H 9.461 0.011 . 589 535 131 CYS C C 171.965 0.060 . 590 535 131 CYS CA C 56.548 0.043 . 591 535 131 CYS CB C 30.615 0.018 . 592 535 131 CYS N N 117.220 0.036 . 593 536 132 LEU H H 7.905 0.006 . 594 536 132 LEU HD1 H 0.679 0.007 . 595 536 132 LEU HD2 H 0.597 0.007 . 596 536 132 LEU CA C 54.008 0.027 . 597 536 132 LEU CB C 46.487 0.031 . 598 536 132 LEU CD1 C 22.301 0.060 . 599 536 132 LEU CD2 C 26.282 0.060 . 600 536 132 LEU N N 120.825 0.082 . 601 537 133 ALA H H 8.835 0.008 . 602 537 133 ALA CA C 49.576 0.060 . 603 537 133 ALA CB C 20.964 0.060 . 604 537 133 ALA N N 126.773 0.020 . 605 538 134 VAL H H 9.071 0.014 . 606 538 134 VAL HG1 H 0.870 0.007 . 607 538 134 VAL HG2 H 0.809 0.007 . 608 538 134 VAL C C 174.727 0.060 . 609 538 134 VAL CA C 60.449 0.060 . 610 538 134 VAL CB C 35.413 0.060 . 611 538 134 VAL CG1 C 21.698 0.060 . 612 538 134 VAL CG2 C 21.913 0.060 . 613 538 134 VAL N N 119.546 0.197 . 614 539 135 VAL H H 9.402 0.010 . 615 539 135 VAL HG1 H 0.441 0.007 . 616 539 135 VAL HG2 H 0.881 0.007 . 617 539 135 VAL CA C 60.873 0.060 . 618 539 135 VAL CB C 32.053 0.060 . 619 539 135 VAL CG1 C 20.502 0.060 . 620 539 135 VAL CG2 C 19.475 0.060 . 621 539 135 VAL N N 130.501 0.022 . 622 540 136 ASP H H 8.954 0.006 . 623 540 136 ASP CA C 51.922 0.060 . 624 540 136 ASP CB C 41.816 0.060 . 625 540 136 ASP N N 126.546 0.026 . 626 541 137 PHE H H 9.479 0.005 . 627 541 137 PHE CA C 62.022 0.060 . 628 541 137 PHE CB C 39.187 0.060 . 629 541 137 PHE N N 123.936 0.061 . 630 542 138 ARG H H 8.714 0.009 . 631 542 138 ARG C C 179.074 0.060 . 632 542 138 ARG CA C 57.300 0.063 . 633 542 138 ARG CB C 28.607 0.009 . 634 542 138 ARG N N 117.561 0.066 . 635 543 139 LYS H H 6.749 0.008 . 636 543 139 LYS C C 175.221 0.060 . 637 543 139 LYS CA C 54.808 0.099 . 638 543 139 LYS CB C 33.288 0.040 . 639 543 139 LYS N N 114.224 0.054 . 640 544 140 LYS H H 7.423 0.007 . 641 544 140 LYS C C 175.247 0.060 . 642 544 140 LYS CA C 55.562 0.060 . 643 544 140 LYS CB C 27.641 0.016 . 644 544 140 LYS N N 115.776 0.062 . 645 545 141 ASN H H 7.230 0.008 . 646 545 141 ASN C C 173.859 0.060 . 647 545 141 ASN CA C 51.023 0.041 . 648 545 141 ASN CB C 42.123 0.008 . 649 545 141 ASN N N 113.498 0.054 . 650 546 142 ILE H H 8.432 0.008 . 651 546 142 ILE CA C 61.517 0.047 . 652 546 142 ILE N N 120.288 0.054 . 653 547 143 THR H H 8.781 0.004 . 654 547 143 THR CA C 60.921 0.060 . 655 547 143 THR CB C 70.493 0.060 . 656 547 143 THR N N 121.352 0.055 . 657 548 144 TYR H H 8.727 0.015 . 658 548 144 TYR CA C 57.227 0.060 . 659 548 144 TYR CB C 40.796 0.060 . 660 548 144 TYR N N 128.981 0.032 . 661 549 145 TYR H H 9.079 0.010 . 662 549 145 TYR CB C 40.072 0.060 . 663 549 145 TYR N N 125.239 0.041 . 664 550 146 ASP H H 8.116 0.012 . 665 550 146 ASP C C 177.444 0.060 . 666 550 146 ASP CA C 52.549 0.054 . 667 550 146 ASP CB C 43.937 0.014 . 668 550 146 ASP N N 123.169 0.110 . 669 551 147 SER H H 9.519 0.009 . 670 551 147 SER C C 174.422 0.060 . 671 551 147 SER CA C 60.463 0.011 . 672 551 147 SER CB C 62.962 0.017 . 673 551 147 SER N N 122.969 0.103 . 674 552 148 MET H H 9.320 0.007 . 675 552 148 MET C C 178.972 0.060 . 676 552 148 MET CA C 54.901 0.042 . 677 552 148 MET CB C 34.489 0.020 . 678 552 148 MET N N 122.574 0.047 . 679 553 149 GLY H H 7.890 0.008 . 680 553 149 GLY C C 175.385 0.060 . 681 553 149 GLY CA C 46.475 0.060 . 682 553 149 GLY N N 109.507 0.054 . 683 554 150 GLY H H 7.510 0.007 . 684 554 150 GLY C C 171.658 0.060 . 685 554 150 GLY CA C 44.928 0.027 . 686 554 150 GLY N N 107.555 0.051 . 687 555 151 ILE H H 8.050 0.018 . 688 555 151 ILE C C 176.285 0.060 . 689 555 151 ILE CA C 59.215 0.067 . 690 555 151 ILE CB C 37.955 0.073 . 691 555 151 ILE N N 118.138 0.064 . 692 556 152 ASN H H 7.762 0.011 . 693 556 152 ASN CA C 50.688 0.016 . 694 556 152 ASN CB C 36.209 0.034 . 695 556 152 ASN N N 124.106 0.108 . 696 557 153 ASN H H 8.339 0.013 . 697 557 153 ASN CA C 55.660 0.060 . 698 557 153 ASN CB C 37.225 0.049 . 699 557 153 ASN N N 121.312 0.052 . 700 558 154 GLU H H 8.531 0.008 . 701 558 154 GLU CA C 59.210 0.032 . 702 558 154 GLU CB C 28.223 0.004 . 703 558 154 GLU N N 120.721 0.042 . 704 559 155 ALA H H 7.491 0.006 . 705 559 155 ALA C C 179.228 0.060 . 706 559 155 ALA CA C 55.072 0.035 . 707 559 155 ALA CB C 17.209 0.030 . 708 559 155 ALA N N 120.499 0.062 . 709 560 156 CYS H H 6.803 0.009 . 710 560 156 CYS C C 176.152 0.060 . 711 560 156 CYS CA C 61.861 0.070 . 712 560 156 CYS CB C 26.362 0.047 . 713 560 156 CYS N N 111.946 0.041 . 714 561 157 ARG H H 8.077 0.007 . 715 561 157 ARG C C 179.458 0.060 . 716 561 157 ARG CA C 59.736 0.033 . 717 561 157 ARG CB C 29.122 0.060 . 718 561 157 ARG N N 120.238 0.060 . 719 562 158 ILE H H 8.583 0.009 . 720 562 158 ILE C C 179.283 0.060 . 721 562 158 ILE CA C 64.773 0.050 . 722 562 158 ILE CB C 36.965 0.012 . 723 562 158 ILE N N 120.588 0.050 . 724 563 159 LEU H H 7.580 0.010 . 725 563 159 LEU HD1 H 0.714 0.007 . 726 563 159 LEU HD2 H 0.791 0.007 . 727 563 159 LEU C C 177.668 0.060 . 728 563 159 LEU CA C 56.989 0.065 . 729 563 159 LEU CB C 41.139 0.020 . 730 563 159 LEU CD1 C 26.070 0.060 . 731 563 159 LEU CD2 C 22.794 0.060 . 732 563 159 LEU N N 120.645 0.067 . 733 564 160 LEU H H 7.989 0.008 . 734 564 160 LEU HD1 H 0.503 0.007 . 735 564 160 LEU HD2 H 0.873 0.007 . 736 564 160 LEU CA C 57.863 0.069 . 737 564 160 LEU CB C 40.586 0.060 . 738 564 160 LEU CD1 C 23.029 0.060 . 739 564 160 LEU CD2 C 25.722 0.060 . 740 564 160 LEU N N 122.277 0.065 . 741 565 161 GLN H H 7.945 0.007 . 742 565 161 GLN C C 178.554 0.060 . 743 565 161 GLN CB C 27.023 0.022 . 744 565 161 GLN N N 116.169 0.063 . 745 566 162 TYR H H 8.147 0.004 . 746 566 162 TYR CA C 61.262 0.060 . 747 566 162 TYR CB C 36.890 0.060 . 748 566 162 TYR N N 121.414 0.015 . 749 567 163 LEU H H 7.756 0.004 . 750 567 163 LEU HD1 H 0.298 0.007 . 751 567 163 LEU HD2 H 0.574 0.007 . 752 567 163 LEU CA C 57.690 0.060 . 753 567 163 LEU CB C 39.693 0.060 . 754 567 163 LEU CD1 C 26.027 0.060 . 755 567 163 LEU CD2 C 21.698 0.060 . 756 567 163 LEU N N 118.927 0.105 . 757 568 164 LYS H H 7.436 0.006 . 758 568 164 LYS C C 180.159 0.060 . 759 568 164 LYS CA C 59.666 0.041 . 760 568 164 LYS CB C 31.072 0.084 . 761 568 164 LYS N N 116.321 0.093 . 762 569 165 GLN H H 7.710 0.008 . 763 569 165 GLN C C 178.121 0.060 . 764 569 165 GLN CA C 58.376 0.043 . 765 569 165 GLN CB C 26.837 0.046 . 766 569 165 GLN N N 119.281 0.054 . 767 570 166 GLU H H 8.874 0.007 . 768 570 166 GLU C C 178.511 0.060 . 769 570 166 GLU CA C 57.248 0.082 . 770 570 166 GLU CB C 27.850 0.059 . 771 570 166 GLU N N 123.757 0.059 . 772 571 167 SER H H 8.112 0.008 . 773 571 167 SER CA C 61.824 0.053 . 774 571 167 SER CB C 63.591 0.051 . 775 571 167 SER N N 113.072 0.057 . 776 572 168 ILE H H 7.085 0.010 . 777 572 168 ILE C C 178.898 0.060 . 778 572 168 ILE CA C 64.046 0.063 . 779 572 168 ILE CB C 36.762 0.018 . 780 572 168 ILE N N 120.025 0.061 . 781 573 169 ASP H H 8.267 0.006 . 782 573 169 ASP CA C 58.589 0.097 . 783 573 169 ASP CB C 45.295 0.057 . 784 573 169 ASP N N 119.596 0.096 . 785 574 170 LYS H H 8.537 0.006 . 786 574 170 LYS CA C 55.261 0.081 . 787 574 170 LYS N N 110.111 0.095 . 788 580 176 ASP C C 175.974 0.060 . 789 580 176 ASP CA C 53.108 0.072 . 790 581 177 THR H H 8.005 0.007 . 791 581 177 THR C C 176.370 0.060 . 792 581 177 THR CA C 61.607 0.040 . 793 581 177 THR CB C 67.992 0.005 . 794 581 177 THR N N 114.488 0.063 . 795 582 178 ASN H H 8.559 0.007 . 796 582 178 ASN C C 177.026 0.060 . 797 582 178 ASN CA C 55.671 0.031 . 798 582 178 ASN CB C 37.704 0.003 . 799 582 178 ASN N N 124.721 0.046 . 800 583 179 GLY H H 8.964 0.006 . 801 583 179 GLY C C 174.640 0.060 . 802 583 179 GLY CA C 45.005 0.050 . 803 583 179 GLY N N 113.066 0.085 . 804 584 180 TRP H H 7.891 0.008 . 805 584 180 TRP HE1 H 10.207 0.007 . 806 584 180 TRP C C 177.331 0.060 . 807 584 180 TRP CA C 58.735 0.040 . 808 584 180 TRP CB C 27.343 0.015 . 809 584 180 TRP N N 120.551 0.065 . 810 584 180 TRP NE1 N 130.072 0.060 . 811 585 181 GLN H H 8.320 0.008 . 812 585 181 GLN C C 173.396 0.060 . 813 585 181 GLN CA C 54.336 0.033 . 814 585 181 GLN CB C 32.617 0.002 . 815 585 181 GLN N N 120.470 0.066 . 816 586 182 LEU H H 8.257 0.007 . 817 586 182 LEU HD1 H 0.875 0.007 . 818 586 182 LEU HD2 H 1.060 0.007 . 819 586 182 LEU C C 176.073 0.060 . 820 586 182 LEU CA C 52.787 0.029 . 821 586 182 LEU CB C 41.572 0.009 . 822 586 182 LEU CD1 C 24.580 0.060 . 823 586 182 LEU CD2 C 24.177 0.060 . 824 586 182 LEU N N 122.471 0.085 . 825 587 183 PHE H H 9.007 0.010 . 826 587 183 PHE C C 174.710 0.060 . 827 587 183 PHE CA C 56.274 0.044 . 828 587 183 PHE CB C 41.980 0.033 . 829 587 183 PHE N N 119.628 0.087 . 830 588 184 SER H H 8.550 0.007 . 831 588 184 SER C C 174.522 0.060 . 832 588 184 SER CA C 57.584 0.072 . 833 588 184 SER CB C 64.741 0.007 . 834 588 184 SER N N 115.508 0.048 . 835 589 185 LYS H H 8.375 0.005 . 836 589 185 LYS C C 176.928 0.060 . 837 589 185 LYS CA C 54.504 0.035 . 838 589 185 LYS CB C 30.677 0.054 . 839 589 185 LYS N N 123.879 0.066 . 840 590 186 LYS H H 9.160 0.007 . 841 590 186 LYS C C 178.646 0.060 . 842 590 186 LYS CA C 55.590 0.060 . 843 590 186 LYS CB C 32.654 0.005 . 844 590 186 LYS N N 124.442 0.046 . 845 591 187 SER H H 8.771 0.006 . 846 591 187 SER C C 175.070 0.060 . 847 591 187 SER CA C 60.730 0.060 . 848 591 187 SER CB C 62.469 0.038 . 849 591 187 SER N N 116.878 0.051 . 850 592 188 GLN H H 7.787 0.017 . 851 592 188 GLN C C 177.119 0.060 . 852 592 188 GLN CA C 56.481 0.039 . 853 592 188 GLN CB C 27.319 0.008 . 854 592 188 GLN N N 114.421 0.061 . 855 593 189 GLU H H 8.147 0.006 . 856 593 189 GLU C C 176.185 0.060 . 857 593 189 GLU CA C 56.788 0.028 . 858 593 189 GLU CB C 31.514 0.060 . 859 593 189 GLU N N 116.571 0.071 . 860 594 190 ILE H H 7.099 0.010 . 861 594 190 ILE CA C 57.233 0.068 . 862 594 190 ILE CB C 39.464 0.047 . 863 594 190 ILE N N 111.638 0.067 . 864 596 192 GLN H H 8.568 0.007 . 865 596 192 GLN C C 176.998 0.060 . 866 596 192 GLN CA C 52.641 0.060 . 867 596 192 GLN CB C 31.367 0.060 . 868 596 192 GLN N N 119.776 0.056 . 869 597 193 GLN H H 8.670 0.009 . 870 597 193 GLN C C 175.677 0.060 . 871 597 193 GLN CA C 53.866 0.060 . 872 597 193 GLN CB C 28.195 0.060 . 873 597 193 GLN N N 118.265 0.046 . 874 598 194 MET H H 9.450 0.009 . 875 598 194 MET C C 175.887 0.060 . 876 598 194 MET CA C 55.496 0.060 . 877 598 194 MET CB C 33.978 0.092 . 878 598 194 MET N N 118.496 0.123 . 879 599 195 ASN H H 7.565 0.009 . 880 599 195 ASN CA C 51.768 0.047 . 881 599 195 ASN CB C 39.114 0.015 . 882 599 195 ASN N N 117.184 0.119 . 883 600 196 GLY H H 9.054 0.007 . 884 600 196 GLY N N 114.081 0.050 . 885 601 197 SER H H 7.855 0.007 . 886 601 197 SER CA C 58.424 0.060 . 887 601 197 SER CB C 60.647 0.060 . 888 601 197 SER N N 114.866 0.042 . 889 602 198 ASP H H 7.257 0.009 . 890 602 198 ASP C C 178.539 0.060 . 891 602 198 ASP CA C 55.181 0.060 . 892 602 198 ASP CB C 40.810 0.060 . 893 602 198 ASP N N 118.282 0.051 . 894 603 199 CYS H H 7.715 0.007 . 895 603 199 CYS C C 175.783 0.060 . 896 603 199 CYS CA C 60.678 0.017 . 897 603 199 CYS CB C 28.270 0.067 . 898 603 199 CYS N N 121.968 0.071 . 899 604 200 GLY H H 8.736 0.006 . 900 604 200 GLY C C 175.076 0.060 . 901 604 200 GLY CA C 46.862 0.028 . 902 604 200 GLY N N 109.643 0.037 . 903 605 201 MET H H 6.973 0.014 . 904 605 201 MET C C 178.831 0.060 . 905 605 201 MET CA C 54.421 0.072 . 906 605 201 MET CB C 28.885 0.026 . 907 605 201 MET N N 118.381 0.063 . 908 606 202 PHE H H 8.265 0.006 . 909 606 202 PHE C C 175.928 0.060 . 910 606 202 PHE CA C 63.186 0.043 . 911 606 202 PHE CB C 37.346 0.060 . 912 606 202 PHE N N 118.962 0.093 . 913 607 203 ALA H H 7.745 0.007 . 914 607 203 ALA C C 179.705 0.060 . 915 607 203 ALA CA C 55.826 0.034 . 916 607 203 ALA CB C 15.841 0.039 . 917 607 203 ALA N N 118.262 0.098 . 918 608 204 CYS H H 7.150 0.009 . 919 608 204 CYS C C 176.344 0.060 . 920 608 204 CYS CA C 64.555 0.063 . 921 608 204 CYS CB C 26.489 0.041 . 922 608 204 CYS N N 111.327 0.051 . 923 609 205 LYS H H 8.114 0.008 . 924 609 205 LYS C C 180.898 0.060 . 925 609 205 LYS CA C 55.983 0.043 . 926 609 205 LYS CB C 28.003 0.042 . 927 609 205 LYS N N 117.546 0.067 . 928 610 206 TYR H H 9.584 0.008 . 929 610 206 TYR C C 177.942 0.060 . 930 610 206 TYR CA C 58.081 0.064 . 931 610 206 TYR CB C 36.268 0.012 . 932 610 206 TYR N N 121.342 0.079 . 933 611 207 ALA H H 7.300 0.008 . 934 611 207 ALA C C 179.296 0.060 . 935 611 207 ALA CA C 55.284 0.082 . 936 611 207 ALA CB C 17.360 0.029 . 937 611 207 ALA N N 118.235 0.067 . 938 612 208 ASP H H 8.285 0.004 . 939 612 208 ASP C C 177.083 0.060 . 940 612 208 ASP CA C 57.496 0.017 . 941 612 208 ASP CB C 40.809 0.006 . 942 612 208 ASP N N 119.051 0.071 . 943 613 209 CYS H H 7.283 0.009 . 944 613 209 CYS C C 177.033 0.060 . 945 613 209 CYS CA C 64.249 0.041 . 946 613 209 CYS CB C 26.401 0.036 . 947 613 209 CYS N N 114.150 0.053 . 948 614 210 ILE H H 8.523 0.008 . 949 614 210 ILE C C 180.531 0.060 . 950 614 210 ILE CA C 64.188 0.060 . 951 614 210 ILE CB C 38.287 0.001 . 952 614 210 ILE N N 119.103 0.077 . 953 615 211 THR H H 8.251 0.008 . 954 615 211 THR C C 174.525 0.060 . 955 615 211 THR CB C 67.658 0.003 . 956 615 211 THR N N 108.325 0.089 . 957 616 212 LYS H H 7.204 0.009 . 958 616 212 LYS C C 175.509 0.060 . 959 616 212 LYS CA C 55.419 0.017 . 960 616 212 LYS CB C 31.971 0.037 . 961 616 212 LYS N N 118.784 0.101 . 962 617 213 ASP H H 7.982 0.005 . 963 617 213 ASP C C 174.882 0.060 . 964 617 213 ASP CA C 55.028 0.031 . 965 617 213 ASP CB C 38.871 0.011 . 966 617 213 ASP N N 117.696 0.049 . 967 618 214 ARG H H 7.893 0.009 . 968 618 214 ARG C C 173.638 0.060 . 969 618 214 ARG CA C 51.906 0.074 . 970 618 214 ARG CB C 30.614 0.006 . 971 618 214 ARG N N 116.707 0.058 . 972 620 216 ILE H H 8.465 0.007 . 973 620 216 ILE C C 177.018 0.060 . 974 620 216 ILE CA C 62.112 0.078 . 975 620 216 ILE CB C 35.731 0.012 . 976 620 216 ILE N N 121.915 0.051 . 977 621 217 ASN H H 7.952 0.010 . 978 621 217 ASN CA C 52.404 0.060 . 979 621 217 ASN CB C 38.108 0.005 . 980 621 217 ASN N N 126.058 0.038 . 981 622 218 PHE H H 6.573 0.011 . 982 622 218 PHE C C 173.442 0.060 . 983 622 218 PHE CA C 54.399 0.058 . 984 622 218 PHE CB C 41.066 0.020 . 985 622 218 PHE N N 114.010 0.056 . 986 623 219 THR H H 11.019 0.021 . 987 623 219 THR CA C 59.922 0.046 . 988 623 219 THR CB C 73.255 0.016 . 989 623 219 THR N N 112.666 0.049 . 990 624 220 GLN H H 9.841 0.009 . 991 624 220 GLN C C 177.817 0.060 . 992 624 220 GLN CA C 57.991 0.083 . 993 624 220 GLN CB C 28.115 0.054 . 994 624 220 GLN N N 118.693 0.070 . 995 625 221 GLN H H 8.350 0.006 . 996 625 221 GLN C C 177.118 0.060 . 997 625 221 GLN CA C 57.772 0.015 . 998 625 221 GLN CB C 27.232 0.058 . 999 625 221 GLN N N 118.528 0.035 . 1000 626 222 HIS H H 7.690 0.010 . 1001 626 222 HIS C C 175.195 0.060 . 1002 626 222 HIS CA C 59.023 0.063 . 1003 626 222 HIS CB C 32.018 0.010 . 1004 626 222 HIS N N 116.120 0.049 . 1005 627 223 MET H H 7.581 0.008 . 1006 627 223 MET C C 175.481 0.060 . 1007 627 223 MET CA C 58.703 0.052 . 1008 627 223 MET CB C 29.282 0.004 . 1009 627 223 MET N N 117.619 0.067 . 1010 629 225 TYR H H 7.455 0.007 . 1011 629 225 TYR C C 176.303 0.060 . 1012 629 225 TYR CA C 59.898 0.069 . 1013 629 225 TYR CB C 36.935 0.011 . 1014 629 225 TYR N N 119.231 0.050 . 1015 630 226 PHE H H 8.720 0.012 . 1016 630 226 PHE C C 179.707 0.060 . 1017 630 226 PHE CA C 57.548 0.055 . 1018 630 226 PHE N N 118.661 0.066 . 1019 631 227 ARG H H 8.743 0.010 . 1020 631 227 ARG C C 177.119 0.060 . 1021 631 227 ARG CA C 59.879 0.057 . 1022 631 227 ARG CB C 29.774 0.054 . 1023 631 227 ARG N N 121.276 0.074 . 1024 632 228 LYS H H 7.027 0.010 . 1025 632 228 LYS C C 178.005 0.060 . 1026 632 228 LYS CB C 32.019 0.036 . 1027 632 228 LYS N N 115.472 0.094 . 1028 633 229 ARG H H 8.483 0.010 . 1029 633 229 ARG CA C 59.110 0.132 . 1030 633 229 ARG CB C 30.377 0.008 . 1031 633 229 ARG N N 116.560 0.053 . 1032 634 230 MET H H 8.212 0.007 . 1033 634 230 MET CA C 57.950 0.079 . 1034 634 230 MET CB C 31.937 0.048 . 1035 634 230 MET N N 116.933 0.067 . 1036 635 231 VAL H H 7.401 0.011 . 1037 635 231 VAL HG1 H 0.511 0.007 . 1038 635 231 VAL HG2 H 1.078 0.007 . 1039 635 231 VAL C C 176.781 0.060 . 1040 635 231 VAL CA C 66.729 0.085 . 1041 635 231 VAL CB C 30.848 0.020 . 1042 635 231 VAL CG1 C 22.182 0.060 . 1043 635 231 VAL CG2 C 24.307 0.060 . 1044 635 231 VAL N N 117.807 0.068 . 1045 636 232 TRP H H 6.945 0.009 . 1046 636 232 TRP HE1 H 10.208 0.007 . 1047 636 232 TRP C C 177.991 0.060 . 1048 636 232 TRP CA C 63.021 0.038 . 1049 636 232 TRP CB C 28.855 0.061 . 1050 636 232 TRP N N 117.761 0.062 . 1051 636 232 TRP NE1 N 131.254 0.060 . 1052 637 233 GLU H H 8.942 0.007 . 1053 637 233 GLU C C 179.549 0.060 . 1054 637 233 GLU CA C 59.634 0.071 . 1055 637 233 GLU CB C 29.540 0.042 . 1056 637 233 GLU N N 118.312 0.075 . 1057 638 234 ILE H H 8.516 0.008 . 1058 638 234 ILE C C 178.793 0.060 . 1059 638 234 ILE CA C 65.061 0.061 . 1060 638 234 ILE CB C 36.564 0.039 . 1061 638 234 ILE N N 118.151 0.051 . 1062 639 235 LEU H H 8.021 0.006 . 1063 639 235 LEU HD1 H 0.577 0.007 . 1064 639 235 LEU HD2 H 0.498 0.007 . 1065 639 235 LEU CA C 57.489 0.039 . 1066 639 235 LEU CB C 40.751 0.026 . 1067 639 235 LEU CD1 C 25.065 0.060 . 1068 639 235 LEU CD2 C 22.821 0.060 . 1069 639 235 LEU N N 119.857 0.098 . 1070 640 236 HIS H H 7.758 0.009 . 1071 640 236 HIS CA C 55.633 0.033 . 1072 640 236 HIS CB C 26.845 0.075 . 1073 640 236 HIS N N 112.218 0.089 . 1074 641 237 ARG H H 7.879 0.007 . 1075 641 237 ARG C C 174.773 0.060 . 1076 641 237 ARG CA C 56.955 0.087 . 1077 641 237 ARG CB C 25.944 0.051 . 1078 641 237 ARG N N 122.564 0.053 . 1079 642 238 LYS H H 8.220 0.009 . 1080 642 238 LYS C C 172.886 0.060 . 1081 642 238 LYS CA C 54.648 0.048 . 1082 642 238 LYS CB C 34.915 0.008 . 1083 642 238 LYS N N 121.148 0.096 . 1084 643 239 LEU H H 8.136 0.009 . 1085 643 239 LEU HD1 H 0.395 0.007 . 1086 643 239 LEU HD2 H 0.572 0.007 . 1087 643 239 LEU C C 177.594 0.060 . 1088 643 239 LEU CA C 53.678 0.073 . 1089 643 239 LEU CB C 41.237 0.033 . 1090 643 239 LEU CD1 C 27.306 0.060 . 1091 643 239 LEU CD2 C 24.450 0.060 . 1092 643 239 LEU N N 122.205 0.055 . 1093 644 240 LEU H H 8.863 0.005 . 1094 644 240 LEU C C 182.082 0.060 . 1095 644 240 LEU CA C 55.222 0.066 . 1096 644 240 LEU CB C 41.615 0.052 . 1097 644 240 LEU N N 130.114 0.074 . stop_ save_