data_19214 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Green Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain ; _BMRB_accession_number 19214 _BMRB_flat_file_name bmr19214.str _Entry_type original _Submission_date 2013-05-01 _Accession_date 2013-05-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Pg state' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cornilescu Gabriel . . 2 Cornilescu Claudia C. . 3 Burgie Sethe E. . 4 Walker Joseph M. . 5 Markley John L. . 6 Ulijasz Andrew T. . 7 Vierstra Richard D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 676 "13C chemical shifts" 547 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-05 update BMRB 'update entry citation' 2014-01-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dynamic Structural Changes Underpin Photoconversion of a Blue/Green Cyanobacteriochrome between Its Dark and Photoactivated States.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24337572 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cornilescu Claudia C. . 2 Cornilescu Gabriel . . 3 Burgie 'E. Sethe' . . 4 Markley John L. . 5 Ulijasz Andrew T. . 6 Vierstra Richard D. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3055 _Page_last 3065 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Green Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TePixJ $entity_1 PHYCOCYANOBILIN $entity_CYC 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18769.467 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MAAVQLSELRDRQAIFETLV AKGRELLACDRVIVYAFDDN YVGTVVAESVAEGWPQARDQ VIEDPCFREHWVEAYRQGRI QATTDIFKAGLTECHLNQLR PLKVRANLVVPMVIDDQLFG LLIAHQASEPRQWQEIEIDQ FSELASTGSLVLERLHFLEQ TIASL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 429 MET 2 430 ALA 3 431 ALA 4 432 VAL 5 433 GLN 6 434 LEU 7 435 SER 8 436 GLU 9 437 LEU 10 438 ARG 11 439 ASP 12 440 ARG 13 441 GLN 14 442 ALA 15 443 ILE 16 444 PHE 17 445 GLU 18 446 THR 19 447 LEU 20 448 VAL 21 449 ALA 22 450 LYS 23 451 GLY 24 452 ARG 25 453 GLU 26 454 LEU 27 455 LEU 28 456 ALA 29 457 CYS 30 458 ASP 31 459 ARG 32 460 VAL 33 461 ILE 34 462 VAL 35 463 TYR 36 464 ALA 37 465 PHE 38 466 ASP 39 467 ASP 40 468 ASN 41 469 TYR 42 470 VAL 43 471 GLY 44 472 THR 45 473 VAL 46 474 VAL 47 475 ALA 48 476 GLU 49 477 SER 50 478 VAL 51 479 ALA 52 480 GLU 53 481 GLY 54 482 TRP 55 483 PRO 56 484 GLN 57 485 ALA 58 486 ARG 59 487 ASP 60 488 GLN 61 489 VAL 62 490 ILE 63 491 GLU 64 492 ASP 65 493 PRO 66 494 CYS 67 495 PHE 68 496 ARG 69 497 GLU 70 498 HIS 71 499 TRP 72 500 VAL 73 501 GLU 74 502 ALA 75 503 TYR 76 504 ARG 77 505 GLN 78 506 GLY 79 507 ARG 80 508 ILE 81 509 GLN 82 510 ALA 83 511 THR 84 512 THR 85 513 ASP 86 514 ILE 87 515 PHE 88 516 LYS 89 517 ALA 90 518 GLY 91 519 LEU 92 520 THR 93 521 GLU 94 522 CYS 95 523 HIS 96 524 LEU 97 525 ASN 98 526 GLN 99 527 LEU 100 528 ARG 101 529 PRO 102 530 LEU 103 531 LYS 104 532 VAL 105 533 ARG 106 534 ALA 107 535 ASN 108 536 LEU 109 537 VAL 110 538 VAL 111 539 PRO 112 540 MET 113 541 VAL 114 542 ILE 115 543 ASP 116 544 ASP 117 545 GLN 118 546 LEU 119 547 PHE 120 548 GLY 121 549 LEU 122 550 LEU 123 551 ILE 124 552 ALA 125 553 HIS 126 554 GLN 127 555 ALA 128 556 SER 129 557 GLU 130 558 PRO 131 559 ARG 132 560 GLN 133 561 TRP 134 562 GLN 135 563 GLU 136 564 ILE 137 565 GLU 138 566 ILE 139 567 ASP 140 568 GLN 141 569 PHE 142 570 SER 143 571 GLU 144 572 LEU 145 573 ALA 146 574 SER 147 575 THR 148 576 GLY 149 577 SER 150 578 LEU 151 579 VAL 152 580 LEU 153 581 GLU 154 582 ARG 155 583 LEU 156 584 HIS 157 585 PHE 158 586 LEU 159 587 GLU 160 588 GLN 161 589 THR 162 590 ILE 163 591 ALA 164 592 SER 165 593 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-03 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 19213 TePixJ 100.00 165 100.00 100.00 5.89e-116 PDB 2M7U "Blue Light-absorbing State Of Tepixj, An Active Cyanobacteriochrome Domain" 100.00 165 100.00 100.00 5.89e-116 PDB 2M7V "Green Light-absorbing State Of Tepixj, An Active Cyanobacteriochrome Domain" 100.00 165 100.00 100.00 5.89e-116 PDB 3VV4 "Crystal Structure Of Cyanobacteriochrome Tepixj Gaf Domain" 98.79 196 99.39 99.39 1.70e-113 PDB 4FOF "Crystal Structure Of The Blue-light Absorbing Form Of The Thermosynechococcus Elongatus Pixj Gaf-domain" 100.00 171 100.00 100.00 8.53e-116 PDB 4GLQ "Crystal Structure Of The Blue-light Absorbing Form Of The Thermosynechococcus Elongatus Pixj Gaf-domain" 100.00 171 100.00 100.00 8.53e-116 DBJ BAC08121 "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus BP-1]" 98.79 940 98.77 99.39 2.45e-108 REF NP_681359 "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus BP-1]" 98.79 940 98.77 99.39 2.45e-108 REF WP_011056417 "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus]" 98.79 940 98.77 99.39 2.45e-108 stop_ save_ ############# # Ligands # ############# save_CYC _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common PHYCOCYANOBILIN _BMRB_code CYC _PDB_code CYC _Molecular_mass 588.694 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CHA CHA C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? CHB CHB C . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? OB OB O . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? OC OC O . 0 . ? CHD CHD C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HHB HHB H . 0 . ? HB HB H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB1 HAB1 H . 0 . ? HAB2 HAB2 H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBB3 HBB3 H . 0 . ? HC HC H . 0 . ? H2C H2C H . 0 . ? H3C H3C H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC1 HAC1 H . 0 . ? HAC2 HAC2 H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HBC3 HBC3 H . 0 . ? HHD HHD H . 0 . ? HD HD H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? SING NA C1A ? ? DOUB NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING C4A CHB ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? DOUB CHB C1B ? ? SING CHB HHB ? ? SING NB C1B ? ? SING NB C4B ? ? SING NB HB ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? DOUB C4B OB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING CAB CBB ? ? SING CAB HAB1 ? ? SING CAB HAB2 ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING CBB HBB3 ? ? SING NC C1C ? ? SING NC C4C ? ? SING NC HC ? ? SING C1C C2C ? ? DOUB C1C OC ? ? SING C2C C3C ? ? SING C2C CMC ? ? SING C2C H2C ? ? SING C3C C4C ? ? SING C3C CAC ? ? SING C3C H3C ? ? DOUB C4C CHD ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? SING CAC CBC ? ? SING CAC HAC1 ? ? SING CAC HAC2 ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING CBC HBC3 ? ? SING CHD C1D ? ? SING CHD HHD ? ? SING ND C1D ? ? SING ND C4D ? ? SING ND HD ? ? DOUB C1D C2D ? ? SING C2D C3D ? ? SING C2D CMD ? ? DOUB C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $entity_1 'Thermosynechococcus elongatus' 146786 Bacteria . Thermosynechococcus elongatus BP-1 tll0569 C555A 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 $entity_1 'recombinant technology' . Escherichia coli . pBAD-Myc-His $entity_CYC 'recombinant technology' . Escherichia coli . ALA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C/15N labeled TePixJ with unlabeled PVN, unlabeled TePixJ with 13C/15N labeled PVN in Pg' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7-1.3 mM '[U-13C; U-15N]' $entity_CYC 0.7-1.3 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'in Pg' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 .5 mM pH 8 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' 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 TePixJ _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 1 431 3 ALA HA H 4.315 0.04 1 2 431 3 ALA HB H 1.326 0.04 1 3 431 3 ALA C C 177.643 0.25 1 4 431 3 ALA CA C 52.380 0.25 1 5 431 3 ALA CB C 19.190 0.25 1 6 432 4 VAL H H 8.178 0.04 1 7 432 4 VAL HA H 4.019 0.04 1 8 432 4 VAL HB H 1.933 0.04 1 9 432 4 VAL HG1 H 0.864 0.04 1 10 432 4 VAL HG2 H 0.894 0.04 1 11 432 4 VAL C C 175.763 0.25 1 12 432 4 VAL CA C 62.234 0.25 1 13 432 4 VAL CB C 33.009 0.25 1 14 432 4 VAL CG1 C 21.065 0.25 1 15 432 4 VAL N N 120.312 0.25 1 16 433 5 GLN H H 8.502 0.04 1 17 433 5 GLN CB C 29.519 0.25 1 18 433 5 GLN N N 124.379 0.25 1 19 435 7 SER HA H 4.069 0.04 1 20 435 7 SER HB2 H 3.770 0.04 1 21 435 7 SER HB3 H 3.928 0.04 1 22 435 7 SER C C 178.994 0.25 1 23 435 7 SER CA C 60.511 0.25 1 24 435 7 SER CB C 62.860 0.25 1 25 436 8 GLU H H 7.805 0.04 1 26 436 8 GLU HA H 4.293 0.04 1 27 436 8 GLU HB2 H 1.949 0.04 1 28 436 8 GLU HB3 H 2.151 0.04 1 29 436 8 GLU HG3 H 2.171 0.04 1 30 436 8 GLU C C 176.644 0.25 1 31 436 8 GLU CA C 56.016 0.25 1 32 436 8 GLU CB C 30.335 0.25 1 33 436 8 GLU CG C 36.745 0.25 1 34 436 8 GLU N N 119.753 0.25 1 35 437 9 LEU H H 7.352 0.04 1 36 437 9 LEU HA H 4.150 0.04 1 37 437 9 LEU HB2 H 1.120 0.04 1 38 437 9 LEU HD1 H 0.750 0.04 1 39 437 9 LEU HD2 H 0.730 0.04 1 40 437 9 LEU CA C 55.497 0.25 1 41 437 9 LEU CB C 43.460 0.25 1 42 437 9 LEU CD1 C 24.900 0.25 1 43 437 9 LEU CD2 C 23.300 0.25 1 44 437 9 LEU N N 120.618 0.25 1 45 440 12 ARG HA H 3.240 0.04 1 46 440 12 ARG HB2 H 1.440 0.04 1 47 440 12 ARG HB3 H 1.515 0.04 1 48 440 12 ARG HG2 H 1.096 0.04 1 49 440 12 ARG HG3 H 1.341 0.04 1 50 440 12 ARG HD3 H 3.140 0.04 1 51 440 12 ARG HE H 7.470 0.04 1 52 440 12 ARG C C 175.895 0.25 1 53 440 12 ARG CA C 60.040 0.25 1 54 440 12 ARG CB C 30.218 0.25 1 55 440 12 ARG CG C 28.303 0.25 1 56 440 12 ARG CD C 43.618 0.25 1 57 441 13 GLN H H 8.075 0.04 1 58 441 13 GLN HA H 3.894 0.04 1 59 441 13 GLN HB2 H 2.024 0.04 1 60 441 13 GLN HB3 H 2.200 0.04 1 61 441 13 GLN HG3 H 2.463 0.04 1 62 441 13 GLN HE21 H 8.080 0.04 1 63 441 13 GLN HE22 H 7.170 0.04 1 64 441 13 GLN C C 177.959 0.25 1 65 441 13 GLN CA C 58.904 0.25 1 66 441 13 GLN CB C 27.387 0.25 1 67 441 13 GLN CG C 33.076 0.25 1 68 441 13 GLN N N 117.761 0.25 1 69 441 13 GLN NE2 N 111.900 0.25 1 70 442 14 ALA H H 7.859 0.04 1 71 442 14 ALA HA H 4.142 0.04 1 72 442 14 ALA HB H 1.494 0.04 1 73 442 14 ALA C C 181.535 0.25 1 74 442 14 ALA CA C 54.843 0.25 1 75 442 14 ALA CB C 18.746 0.25 1 76 442 14 ALA N N 120.325 0.25 1 77 443 15 ILE H H 7.668 0.04 1 78 443 15 ILE HA H 3.412 0.04 1 79 443 15 ILE HB H 1.726 0.04 1 80 443 15 ILE HG12 H 0.820 0.04 1 81 443 15 ILE HG13 H 1.530 0.04 1 82 443 15 ILE HG2 H 0.567 0.04 1 83 443 15 ILE HD1 H 0.470 0.04 1 84 443 15 ILE C C 177.554 0.25 1 85 443 15 ILE CA C 65.839 0.25 1 86 443 15 ILE CB C 37.236 0.25 1 87 443 15 ILE CG1 C 30.500 0.25 1 88 443 15 ILE CG2 C 16.403 0.25 1 89 443 15 ILE CD1 C 14.600 0.25 1 90 443 15 ILE N N 120.878 0.25 1 91 444 16 PHE H H 8.128 0.04 1 92 444 16 PHE HA H 4.364 0.04 1 93 444 16 PHE HB2 H 2.938 0.04 1 94 444 16 PHE HB3 H 3.215 0.04 1 95 444 16 PHE HD2 H 6.970 0.04 1 96 444 16 PHE HE2 H 7.160 0.04 1 97 444 16 PHE C C 178.054 0.25 1 98 444 16 PHE CA C 58.952 0.25 1 99 444 16 PHE CB C 37.948 0.25 1 100 444 16 PHE CD2 C 130.200 0.25 1 101 444 16 PHE N N 119.157 0.25 1 102 445 17 GLU H H 8.711 0.04 1 103 445 17 GLU HA H 3.985 0.04 1 104 445 17 GLU HB3 H 2.104 0.04 1 105 445 17 GLU HG2 H 2.507 0.04 1 106 445 17 GLU HG3 H 2.593 0.04 1 107 445 17 GLU C C 179.563 0.25 1 108 445 17 GLU CA C 59.156 0.25 1 109 445 17 GLU CB C 29.177 0.25 1 110 445 17 GLU CG C 36.709 0.25 1 111 445 17 GLU N N 116.382 0.25 1 112 446 18 THR H H 8.105 0.04 1 113 446 18 THR HA H 4.066 0.04 1 114 446 18 THR HB H 4.142 0.04 1 115 446 18 THR HG2 H 1.136 0.04 1 116 446 18 THR C C 175.861 0.25 1 117 446 18 THR CA C 67.041 0.25 1 118 446 18 THR CB C 68.218 0.25 1 119 446 18 THR CG2 C 21.503 0.25 1 120 446 18 THR N N 118.118 0.25 1 121 447 19 LEU H H 8.552 0.04 1 122 447 19 LEU HA H 3.852 0.04 1 123 447 19 LEU HB2 H 1.254 0.04 1 124 447 19 LEU HB3 H 1.984 0.04 1 125 447 19 LEU HG H 1.780 0.04 1 126 447 19 LEU HD1 H 0.800 0.04 1 127 447 19 LEU HD2 H 0.708 0.04 1 128 447 19 LEU C C 179.512 0.25 1 129 447 19 LEU CA C 58.956 0.25 1 130 447 19 LEU CB C 42.493 0.25 1 131 447 19 LEU CG C 26.600 0.25 1 132 447 19 LEU CD1 C 24.606 0.25 1 133 447 19 LEU CD2 C 24.300 0.25 1 134 447 19 LEU N N 121.874 0.25 1 135 448 20 VAL H H 7.695 0.04 1 136 448 20 VAL HA H 4.039 0.04 1 137 448 20 VAL HB H 1.980 0.04 1 138 448 20 VAL HG1 H 1.015 0.04 1 139 448 20 VAL HG2 H 0.816 0.04 1 140 448 20 VAL C C 177.323 0.25 1 141 448 20 VAL CA C 64.562 0.25 1 142 448 20 VAL CB C 30.055 0.25 1 143 448 20 VAL CG1 C 20.244 0.25 1 144 448 20 VAL CG2 C 24.557 0.25 1 145 448 20 VAL N N 108.313 0.25 1 146 449 21 ALA H H 7.421 0.04 1 147 449 21 ALA HA H 4.246 0.04 1 148 449 21 ALA HB H 1.579 0.04 1 149 449 21 ALA C C 181.275 0.25 1 150 449 21 ALA CA C 55.054 0.25 1 151 449 21 ALA CB C 18.528 0.25 1 152 449 21 ALA N N 124.683 0.25 1 153 450 22 LYS H H 8.806 0.04 1 154 450 22 LYS HA H 4.170 0.04 1 155 450 22 LYS HB2 H 1.839 0.04 1 156 450 22 LYS HB3 H 1.996 0.04 1 157 450 22 LYS HG3 H 1.603 0.04 1 158 450 22 LYS HD2 H 2.860 0.04 1 159 450 22 LYS HD3 H 2.940 0.04 1 160 450 22 LYS C C 180.083 0.25 1 161 450 22 LYS CA C 58.219 0.25 1 162 450 22 LYS CB C 31.697 0.25 1 163 450 22 LYS CG C 25.300 0.25 1 164 450 22 LYS CD C 41.900 0.25 1 165 450 22 LYS N N 118.092 0.25 1 166 451 23 GLY H H 8.816 0.04 1 167 451 23 GLY HA2 H 3.645 0.04 1 168 451 23 GLY HA3 H 3.783 0.04 1 169 451 23 GLY C C 173.724 0.25 1 170 451 23 GLY CA C 47.965 0.25 1 171 451 23 GLY N N 108.217 0.25 1 172 452 24 ARG H H 8.190 0.04 1 173 452 24 ARG HA H 4.100 0.04 1 174 452 24 ARG HB2 H 1.560 0.04 1 175 452 24 ARG HB3 H 2.180 0.04 1 176 452 24 ARG HD3 H 2.890 0.04 1 177 452 24 ARG HE H 7.410 0.04 1 178 452 24 ARG C C 178.908 0.25 1 179 452 24 ARG CA C 60.504 0.25 1 180 452 24 ARG CB C 30.208 0.25 1 181 452 24 ARG N N 122.310 0.25 1 182 452 24 ARG NE N 82.800 0.25 1 183 453 25 GLU H H 7.872 0.04 1 184 453 25 GLU HA H 4.076 0.04 1 185 453 25 GLU HB3 H 2.175 0.04 1 186 453 25 GLU HG3 H 2.366 0.04 1 187 453 25 GLU C C 178.638 0.25 1 188 453 25 GLU CA C 58.999 0.25 1 189 453 25 GLU CB C 30.188 0.25 1 190 453 25 GLU CG C 36.249 0.25 1 191 453 25 GLU N N 119.749 0.25 1 192 454 26 LEU H H 8.275 0.04 1 193 454 26 LEU HA H 4.157 0.04 1 194 454 26 LEU HB2 H 1.883 0.04 1 195 454 26 LEU HB3 H 1.925 0.04 1 196 454 26 LEU HG H 1.648 0.04 1 197 454 26 LEU HD1 H 0.941 0.04 1 198 454 26 LEU C C 178.446 0.25 1 199 454 26 LEU CA C 57.868 0.25 1 200 454 26 LEU CB C 43.001 0.25 1 201 454 26 LEU CG C 27.069 0.25 1 202 454 26 LEU CD1 C 25.396 0.25 1 203 454 26 LEU CD2 C 24.064 0.25 1 204 454 26 LEU N N 119.235 0.25 1 205 455 27 LEU H H 7.393 0.04 1 206 455 27 LEU HA H 4.406 0.04 1 207 455 27 LEU HB2 H 1.304 0.04 1 208 455 27 LEU HB3 H 1.770 0.04 1 209 455 27 LEU HG H -0.148 0.04 1 210 455 27 LEU HD1 H 0.610 0.04 1 211 455 27 LEU C C 177.047 0.25 1 212 455 27 LEU CA C 54.730 0.25 1 213 455 27 LEU CB C 43.848 0.25 1 214 455 27 LEU CG C 26.904 0.25 1 215 455 27 LEU CD1 C 22.515 0.25 1 216 455 27 LEU N N 112.983 0.25 1 217 456 28 ALA H H 8.567 0.04 1 218 456 28 ALA HA H 4.239 0.04 1 219 456 28 ALA HB H 1.453 0.04 1 220 456 28 ALA C C 177.010 0.25 1 221 456 28 ALA CA C 52.955 0.25 1 222 456 28 ALA CB C 16.479 0.25 1 223 456 28 ALA N N 124.090 0.25 1 224 457 29 CYS H H 6.942 0.04 1 225 457 29 CYS HA H 5.658 0.04 1 226 457 29 CYS HB2 H 2.521 0.04 1 227 457 29 CYS HB3 H 3.712 0.04 1 228 457 29 CYS C C 173.094 0.25 1 229 457 29 CYS CA C 54.770 0.25 1 230 457 29 CYS CB C 29.803 0.25 1 231 457 29 CYS N N 111.388 0.25 1 232 458 30 ASP H H 7.157 0.04 1 233 458 30 ASP HA H 4.808 0.04 1 234 458 30 ASP HB2 H 1.830 0.04 1 235 458 30 ASP HB3 H 2.039 0.04 1 236 458 30 ASP C C 175.313 0.25 1 237 458 30 ASP CA C 57.780 0.25 1 238 458 30 ASP CB C 42.699 0.25 1 239 458 30 ASP N N 117.058 0.25 1 240 459 31 ARG H H 7.946 0.04 1 241 459 31 ARG HA H 5.396 0.04 1 242 459 31 ARG HB3 H 1.861 0.04 1 243 459 31 ARG HG3 H 1.310 0.04 1 244 459 31 ARG HE H 6.350 0.04 1 245 459 31 ARG C C 174.465 0.25 1 246 459 31 ARG CA C 55.628 0.25 1 247 459 31 ARG CB C 35.127 0.25 1 248 459 31 ARG CG C 29.997 0.25 1 249 459 31 ARG N N 117.570 0.25 1 250 459 31 ARG NE N 83.200 0.25 1 251 460 32 VAL H H 9.200 0.04 1 252 460 32 VAL HA H 5.410 0.04 1 253 460 32 VAL HB H 2.020 0.04 1 254 460 32 VAL HG1 H 1.092 0.04 1 255 460 32 VAL HG2 H 0.751 0.04 1 256 460 32 VAL C C 174.698 0.25 1 257 460 32 VAL CA C 61.229 0.25 1 258 460 32 VAL CB C 35.335 0.25 1 259 460 32 VAL CG1 C 23.113 0.25 1 260 460 32 VAL CG2 C 23.300 0.25 1 261 460 32 VAL N N 126.878 0.25 1 262 461 33 ILE H H 9.247 0.04 1 263 461 33 ILE HA H 5.198 0.04 1 264 461 33 ILE HB H 1.836 0.04 1 265 461 33 ILE HG12 H 0.710 0.04 1 266 461 33 ILE HG13 H 1.190 0.04 1 267 461 33 ILE HG2 H 0.771 0.04 1 268 461 33 ILE HD1 H 0.540 0.04 1 269 461 33 ILE C C 174.647 0.25 1 270 461 33 ILE CA C 59.112 0.25 1 271 461 33 ILE CB C 42.959 0.25 1 272 461 33 ILE CG1 C 26.800 0.25 1 273 461 33 ILE CG2 C 18.100 0.25 1 274 461 33 ILE CD1 C 14.200 0.25 1 275 461 33 ILE N N 120.070 0.25 1 276 462 34 VAL H H 7.400 0.04 1 277 462 34 VAL HA H 4.668 0.04 1 278 462 34 VAL HB H 1.320 0.04 1 279 462 34 VAL HG1 H 0.776 0.04 1 280 462 34 VAL HG2 H 0.265 0.04 1 281 462 34 VAL C C 173.970 0.25 1 282 462 34 VAL CA C 61.528 0.25 1 283 462 34 VAL CB C 33.865 0.25 1 284 462 34 VAL CG1 C 22.300 0.25 1 285 462 34 VAL CG2 C 21.000 0.25 1 286 462 34 VAL N N 118.676 0.25 1 287 463 35 TYR H H 8.782 0.04 1 288 463 35 TYR HA H 4.937 0.04 1 289 463 35 TYR HB2 H 2.152 0.04 1 290 463 35 TYR HB3 H 2.697 0.04 1 291 463 35 TYR HD2 H 6.310 0.04 1 292 463 35 TYR HE2 H 6.530 0.04 1 293 463 35 TYR C C 173.196 0.25 1 294 463 35 TYR CA C 55.589 0.25 1 295 463 35 TYR CB C 41.849 0.25 1 296 463 35 TYR CD2 C 132.100 0.25 1 297 463 35 TYR CE2 C 117.700 0.25 1 298 463 35 TYR N N 131.551 0.25 1 299 464 36 ALA H H 8.295 0.04 1 300 464 36 ALA HA H 4.418 0.04 1 301 464 36 ALA HB H 0.774 0.04 1 302 464 36 ALA C C 175.095 0.25 1 303 464 36 ALA CA C 50.422 0.25 1 304 464 36 ALA CB C 22.676 0.25 1 305 464 36 ALA N N 127.436 0.25 1 306 465 37 PHE H H 7.426 0.04 1 307 465 37 PHE HA H 4.434 0.04 1 308 465 37 PHE HB2 H 2.266 0.04 1 309 465 37 PHE HB3 H 2.550 0.04 1 310 465 37 PHE HD2 H 6.860 0.04 1 311 465 37 PHE HE2 H 7.180 0.04 1 312 465 37 PHE C C 176.189 0.25 1 313 465 37 PHE CA C 56.771 0.25 1 314 465 37 PHE CB C 42.082 0.25 1 315 465 37 PHE N N 116.385 0.25 1 316 466 38 ASP H H 8.012 0.04 1 317 466 38 ASP HA H 4.765 0.04 1 318 466 38 ASP HB3 H 3.256 0.04 1 319 466 38 ASP C C 178.212 0.25 1 320 466 38 ASP CA C 52.007 0.25 1 321 466 38 ASP CB C 41.201 0.25 1 322 466 38 ASP N N 121.980 0.25 1 323 467 39 ASP H H 8.335 0.04 1 324 467 39 ASP HA H 4.146 0.04 1 325 467 39 ASP HB2 H 2.495 0.04 1 326 467 39 ASP HB3 H 2.608 0.04 1 327 467 39 ASP C C 176.189 0.25 1 328 467 39 ASP CA C 56.172 0.25 1 329 467 39 ASP CB C 40.189 0.25 1 330 467 39 ASP N N 116.915 0.25 1 331 468 40 ASN H H 8.237 0.04 1 332 468 40 ASN HA H 4.689 0.04 1 333 468 40 ASN HB2 H 2.679 0.04 1 334 468 40 ASN HB3 H 2.885 0.04 1 335 468 40 ASN HD21 H 7.740 0.04 1 336 468 40 ASN HD22 H 6.820 0.04 1 337 468 40 ASN C C 174.068 0.25 1 338 468 40 ASN CA C 52.711 0.25 1 339 468 40 ASN CB C 39.418 0.25 1 340 468 40 ASN N N 116.918 0.25 1 341 468 40 ASN ND2 N 114.400 0.25 1 342 469 41 TYR H H 7.975 0.04 1 343 469 41 TYR HA H 3.614 0.04 1 344 469 41 TYR HB2 H 2.920 0.04 1 345 469 41 TYR HB3 H 3.000 0.04 1 346 469 41 TYR HD2 H 5.970 0.04 1 347 469 41 TYR HE2 H 6.620 0.04 1 348 469 41 TYR C C 173.766 0.25 1 349 469 41 TYR CA C 60.636 0.25 1 350 469 41 TYR CB C 34.697 0.25 1 351 469 41 TYR CE2 C 118.200 0.25 1 352 469 41 TYR N N 113.180 0.25 1 353 470 42 VAL H H 8.354 0.04 1 354 470 42 VAL HA H 4.100 0.04 1 355 470 42 VAL HB H 2.270 0.04 1 356 470 42 VAL HG1 H 0.940 0.04 1 357 470 42 VAL HG2 H 0.860 0.04 1 358 470 42 VAL CA C 63.555 0.25 1 359 470 42 VAL CB C 31.054 0.25 1 360 470 42 VAL N N 120.871 0.25 1 361 474 46 VAL HA H 4.288 0.04 1 362 474 46 VAL HB H 2.090 0.04 1 363 474 46 VAL HG1 H 0.614 0.04 1 364 474 46 VAL HG2 H 0.008 0.04 1 365 474 46 VAL C C 175.489 0.25 1 366 474 46 VAL CA C 61.669 0.25 1 367 474 46 VAL CB C 32.382 0.25 1 368 474 46 VAL CG1 C 22.431 0.25 1 369 474 46 VAL CG2 C 19.339 0.25 1 370 475 47 ALA H H 7.321 0.04 1 371 475 47 ALA HA H 4.552 0.04 1 372 475 47 ALA HB H 1.228 0.04 1 373 475 47 ALA C C 174.363 0.25 1 374 475 47 ALA CA C 52.023 0.25 1 375 475 47 ALA CB C 23.339 0.25 1 376 475 47 ALA N N 118.920 0.25 1 377 476 48 GLU H H 8.969 0.04 1 378 476 48 GLU HA H 5.128 0.04 1 379 476 48 GLU HB2 H 1.748 0.04 1 380 476 48 GLU HB3 H 1.918 0.04 1 381 476 48 GLU HG3 H 1.891 0.04 1 382 476 48 GLU C C 173.921 0.25 1 383 476 48 GLU CA C 55.372 0.25 1 384 476 48 GLU CB C 35.144 0.25 1 385 476 48 GLU CG C 36.687 0.25 1 386 476 48 GLU N N 121.933 0.25 1 387 477 49 SER H H 9.069 0.04 1 388 477 49 SER HA H 4.855 0.04 1 389 477 49 SER HB3 H 3.579 0.04 1 390 477 49 SER C C 173.315 0.25 1 391 477 49 SER CA C 56.600 0.25 1 392 477 49 SER CB C 64.022 0.25 1 393 477 49 SER N N 121.397 0.25 1 394 478 50 VAL H H 9.081 0.04 1 395 478 50 VAL HA H 5.287 0.04 1 396 478 50 VAL HB H 2.143 0.04 1 397 478 50 VAL HG1 H 1.304 0.04 1 398 478 50 VAL HG2 H 0.991 0.04 1 399 478 50 VAL C C 173.093 0.25 1 400 478 50 VAL CA C 58.849 0.25 1 401 478 50 VAL CB C 35.764 0.25 1 402 478 50 VAL CG1 C 21.675 0.25 1 403 478 50 VAL CG2 C 19.418 0.25 1 404 478 50 VAL N N 128.194 0.25 1 405 479 51 ALA H H 8.688 0.04 1 406 479 51 ALA HA H 4.358 0.04 1 407 479 51 ALA HB H 1.815 0.04 1 408 479 51 ALA C C 176.760 0.25 1 409 479 51 ALA CA C 52.215 0.25 1 410 479 51 ALA CB C 20.082 0.25 1 411 479 51 ALA N N 129.566 0.25 1 412 480 52 GLU H H 8.531 0.04 1 413 480 52 GLU HA H 4.011 0.04 1 414 480 52 GLU HB2 H 1.906 0.04 1 415 480 52 GLU HB3 H 1.990 0.04 1 416 480 52 GLU HG3 H 2.269 0.04 1 417 480 52 GLU C C 177.201 0.25 1 418 480 52 GLU CA C 58.178 0.25 1 419 480 52 GLU CB C 29.829 0.25 1 420 480 52 GLU CG C 36.318 0.25 1 421 480 52 GLU N N 120.391 0.25 1 422 481 53 GLY H H 8.557 0.04 1 423 481 53 GLY HA2 H 3.372 0.04 1 424 481 53 GLY HA3 H 3.834 0.04 1 425 481 53 GLY C C 174.000 0.25 1 426 481 53 GLY CA C 44.644 0.25 1 427 481 53 GLY N N 110.913 0.25 1 428 482 54 TRP H H 7.066 0.04 1 429 482 54 TRP HA H 5.200 0.04 1 430 482 54 TRP HB2 H 2.860 0.04 1 431 482 54 TRP HB3 H 3.030 0.04 1 432 482 54 TRP HD1 H 7.110 0.04 1 433 482 54 TRP HE1 H 9.900 0.04 1 434 482 54 TRP HE3 H 7.350 0.04 1 435 482 54 TRP HZ2 H 7.390 0.04 1 436 482 54 TRP HZ3 H 7.000 0.04 1 437 482 54 TRP HH2 H 7.070 0.04 1 438 482 54 TRP CA C 53.641 0.25 1 439 482 54 TRP CB C 29.556 0.25 1 440 482 54 TRP CD1 C 128.400 0.25 1 441 482 54 TRP CE3 C 119.800 0.25 1 442 482 54 TRP CZ2 C 114.900 0.25 1 443 482 54 TRP CZ3 C 122.100 0.25 1 444 482 54 TRP CH2 C 124.200 0.25 1 445 482 54 TRP N N 119.571 0.25 1 446 482 54 TRP NE1 N 127.900 0.25 1 447 484 56 GLN HE21 H 7.290 0.04 1 448 484 56 GLN CB C 28.700 0.25 1 449 484 56 GLN CG C 35.000 0.25 1 450 484 56 GLN NE2 N 110.200 0.25 1 451 485 57 ALA HA H 4.021 0.04 1 452 485 57 ALA HB H 1.363 0.04 1 453 485 57 ALA C C 180.181 0.25 1 454 485 57 ALA CA C 55.328 0.25 1 455 485 57 ALA CB C 18.537 0.25 1 456 486 58 ARG H H 8.998 0.04 1 457 486 58 ARG HA H 4.104 0.04 1 458 486 58 ARG HB2 H 1.766 0.04 1 459 486 58 ARG HB3 H 1.974 0.04 1 460 486 58 ARG HG3 H 1.588 0.04 1 461 486 58 ARG HD3 H 3.061 0.04 1 462 486 58 ARG C C 176.165 0.25 1 463 486 58 ARG CA C 58.068 0.25 1 464 486 58 ARG CB C 29.624 0.25 1 465 486 58 ARG N N 114.901 0.25 1 466 487 59 ASP H H 7.424 0.04 1 467 487 59 ASP HA H 4.724 0.04 1 468 487 59 ASP HB2 H 2.654 0.04 1 469 487 59 ASP HB3 H 2.857 0.04 1 470 487 59 ASP C C 175.859 0.25 1 471 487 59 ASP CA C 54.873 0.25 1 472 487 59 ASP CB C 41.415 0.25 1 473 487 59 ASP N N 117.227 0.25 1 474 488 60 GLN H H 7.548 0.04 1 475 488 60 GLN HA H 4.471 0.04 1 476 488 60 GLN HB2 H 1.972 0.04 1 477 488 60 GLN HB3 H 2.131 0.04 1 478 488 60 GLN HG3 H 2.510 0.04 1 479 488 60 GLN C C 175.010 0.25 1 480 488 60 GLN CA C 54.037 0.25 1 481 488 60 GLN CB C 29.989 0.25 1 482 488 60 GLN CG C 33.490 0.25 1 483 488 60 GLN N N 117.558 0.25 1 484 489 61 VAL H H 8.426 0.04 1 485 489 61 VAL HA H 4.102 0.04 1 486 489 61 VAL HB H 1.970 0.04 1 487 489 61 VAL HG1 H 0.900 0.04 1 488 489 61 VAL C C 175.471 0.25 1 489 489 61 VAL CA C 62.947 0.25 1 490 489 61 VAL CB C 31.473 0.25 1 491 489 61 VAL CG1 C 22.200 0.25 1 492 489 61 VAL N N 122.991 0.25 1 493 490 62 ILE H H 8.474 0.04 1 494 490 62 ILE HA H 4.310 0.04 1 495 490 62 ILE HB H 1.830 0.04 1 496 490 62 ILE HG12 H 1.210 0.04 1 497 490 62 ILE HG13 H 1.420 0.04 1 498 490 62 ILE HG2 H 0.960 0.04 1 499 490 62 ILE HD1 H 0.890 0.04 1 500 490 62 ILE N N 128.401 0.25 1 501 491 63 GLU HA H 4.361 0.04 1 502 491 63 GLU HB2 H 1.585 0.04 1 503 491 63 GLU HB3 H 1.977 0.04 1 504 491 63 GLU C C 174.175 0.25 1 505 491 63 GLU CA C 54.874 0.25 1 506 491 63 GLU CB C 31.063 0.25 1 507 492 64 ASP H H 6.870 0.04 1 508 492 64 ASP HA H 4.730 0.04 1 509 492 64 ASP HB3 H 2.610 0.04 1 510 492 64 ASP CA C 52.914 0.25 1 511 492 64 ASP CB C 44.223 0.25 1 512 492 64 ASP N N 117.270 0.25 1 513 493 65 PRO C C 178.700 0.25 1 514 493 65 PRO CA C 63.429 0.25 1 515 493 65 PRO CB C 32.064 0.25 1 516 493 65 PRO CG C 27.260 0.25 1 517 494 66 CYS H H 8.010 0.04 1 518 494 66 CYS N N 121.800 0.25 1 519 495 67 PHE HD1 H 6.050 0.04 1 520 495 67 PHE HE1 H 5.970 0.04 1 521 495 67 PHE CB C 36.800 0.25 1 522 500 72 VAL C C 177.132 0.25 1 523 501 73 GLU H H 8.169 0.04 1 524 501 73 GLU C C 178.329 0.25 1 525 501 73 GLU N N 117.783 0.25 1 526 502 74 ALA H H 7.982 0.04 1 527 502 74 ALA HA H 3.976 0.04 1 528 502 74 ALA HB H 1.278 0.04 1 529 502 74 ALA C C 181.216 0.25 1 530 502 74 ALA CA C 55.113 0.25 1 531 502 74 ALA CB C 17.660 0.25 1 532 502 74 ALA N N 120.877 0.25 1 533 503 75 TYR H H 7.310 0.04 1 534 503 75 TYR HA H 4.440 0.04 1 535 503 75 TYR HB2 H 2.960 0.04 1 536 503 75 TYR HB3 H 3.000 0.04 1 537 503 75 TYR HD2 H 7.550 0.04 1 538 503 75 TYR HE2 H 6.820 0.04 1 539 503 75 TYR C C 178.488 0.25 1 540 503 75 TYR CA C 62.517 0.25 1 541 503 75 TYR CB C 38.834 0.25 1 542 503 75 TYR CD2 C 133.700 0.25 1 543 503 75 TYR CE2 C 117.500 0.25 1 544 503 75 TYR N N 116.217 0.25 1 545 504 76 ARG H H 8.424 0.04 1 546 504 76 ARG HA H 3.748 0.04 1 547 504 76 ARG HB3 H 1.680 0.04 1 548 504 76 ARG C C 177.207 0.25 1 549 504 76 ARG CA C 59.734 0.25 1 550 504 76 ARG CB C 30.200 0.25 1 551 504 76 ARG N N 122.384 0.25 1 552 505 77 GLN H H 7.436 0.04 1 553 505 77 GLN HA H 4.220 0.04 1 554 505 77 GLN HB2 H 1.915 0.04 1 555 505 77 GLN HB3 H 2.404 0.04 1 556 505 77 GLN HG2 H 2.302 0.04 1 557 505 77 GLN HG3 H 2.491 0.04 1 558 505 77 GLN HE21 H 7.590 0.04 1 559 505 77 GLN HE22 H 6.720 0.04 1 560 505 77 GLN C C 176.342 0.25 1 561 505 77 GLN CA C 55.587 0.25 1 562 505 77 GLN CB C 28.591 0.25 1 563 505 77 GLN CG C 33.891 0.25 1 564 505 77 GLN N N 112.682 0.25 1 565 505 77 GLN NE2 N 111.900 0.25 1 566 506 78 GLY H H 7.910 0.04 1 567 506 78 GLY HA2 H 3.560 0.04 1 568 506 78 GLY HA3 H 4.374 0.04 1 569 506 78 GLY C C 174.202 0.25 1 570 506 78 GLY CA C 45.499 0.25 1 571 506 78 GLY N N 107.068 0.25 1 572 507 79 ARG H H 7.934 0.04 1 573 507 79 ARG HA H 3.857 0.04 1 574 507 79 ARG HB2 H 0.740 0.04 1 575 507 79 ARG HB3 H 1.330 0.04 1 576 507 79 ARG C C 172.375 0.25 1 577 507 79 ARG CA C 57.969 0.25 1 578 507 79 ARG CB C 30.269 0.25 1 579 507 79 ARG N N 123.044 0.25 1 580 508 80 ILE H H 7.572 0.04 1 581 508 80 ILE HA H 4.819 0.04 1 582 508 80 ILE HB H 1.677 0.04 1 583 508 80 ILE HG12 H 1.167 0.04 1 584 508 80 ILE HG13 H 1.470 0.04 1 585 508 80 ILE HG2 H 0.827 0.04 1 586 508 80 ILE HD1 H 0.830 0.04 1 587 508 80 ILE C C 177.238 0.25 1 588 508 80 ILE CA C 59.801 0.25 1 589 508 80 ILE CB C 41.877 0.25 1 590 508 80 ILE CG1 C 27.930 0.25 1 591 508 80 ILE CG2 C 16.811 0.25 1 592 508 80 ILE CD1 C 14.137 0.25 1 593 508 80 ILE N N 120.600 0.25 1 594 509 81 GLN H H 8.894 0.04 1 595 509 81 GLN HA H 4.761 0.04 1 596 509 81 GLN HG3 H 2.110 0.04 1 597 509 81 GLN HE21 H 6.830 0.04 1 598 509 81 GLN HE22 H 6.710 0.04 1 599 509 81 GLN C C 172.804 0.25 1 600 509 81 GLN CA C 54.158 0.25 1 601 509 81 GLN CB C 31.078 0.25 1 602 509 81 GLN N N 127.676 0.25 1 603 510 82 ALA H H 9.110 0.04 1 604 510 82 ALA HA H 4.912 0.04 1 605 510 82 ALA HB H 1.317 0.04 1 606 510 82 ALA C C 175.581 0.25 1 607 510 82 ALA CA C 51.180 0.25 1 608 510 82 ALA CB C 19.939 0.25 1 609 510 82 ALA N N 132.910 0.25 1 610 511 83 THR H H 9.525 0.04 1 611 511 83 THR HA H 4.636 0.04 1 612 511 83 THR HB H 4.207 0.04 1 613 511 83 THR HG2 H 1.071 0.04 1 614 511 83 THR C C 174.690 0.25 1 615 511 83 THR CA C 61.883 0.25 1 616 511 83 THR CB C 69.826 0.25 1 617 511 83 THR CG2 C 23.900 0.25 1 618 511 83 THR N N 123.543 0.25 1 619 512 84 THR H H 9.024 0.04 1 620 512 84 THR HA H 4.524 0.04 1 621 512 84 THR HB H 3.949 0.04 1 622 512 84 THR HG2 H 0.876 0.04 1 623 512 84 THR C C 172.791 0.25 1 624 512 84 THR CA C 63.974 0.25 1 625 512 84 THR CB C 69.199 0.25 1 626 512 84 THR CG2 C 22.000 0.25 1 627 512 84 THR N N 129.502 0.25 1 628 513 85 ASP H H 7.263 0.04 1 629 513 85 ASP HA H 4.891 0.04 1 630 513 85 ASP HB2 H 2.304 0.04 1 631 513 85 ASP HB3 H 2.579 0.04 1 632 513 85 ASP C C 179.282 0.25 1 633 513 85 ASP CA C 51.637 0.25 1 634 513 85 ASP CB C 42.591 0.25 1 635 513 85 ASP N N 113.203 0.25 1 636 514 86 ILE H H 9.465 0.04 1 637 514 86 ILE HA H 3.595 0.04 1 638 514 86 ILE HB H 1.439 0.04 1 639 514 86 ILE HG2 H 0.542 0.04 1 640 514 86 ILE HD1 H 0.075 0.04 1 641 514 86 ILE C C 175.984 0.25 1 642 514 86 ILE CA C 64.552 0.25 1 643 514 86 ILE CB C 37.796 0.25 1 644 514 86 ILE CG2 C 17.787 0.25 1 645 514 86 ILE CD1 C 16.000 0.25 1 646 514 86 ILE N N 122.554 0.25 1 647 515 87 PHE H H 7.804 0.04 1 648 515 87 PHE HA H 4.399 0.04 1 649 515 87 PHE HB2 H 2.912 0.04 1 650 515 87 PHE HB3 H 3.337 0.04 1 651 515 87 PHE HD1 H 7.260 0.04 1 652 515 87 PHE HE1 H 7.160 0.04 1 653 515 87 PHE HZ H 7.320 0.04 1 654 515 87 PHE C C 176.347 0.25 1 655 515 87 PHE CA C 59.346 0.25 1 656 515 87 PHE CB C 37.709 0.25 1 657 515 87 PHE CD1 C 131.400 0.25 1 658 515 87 PHE CE1 C 131.300 0.25 1 659 515 87 PHE CZ C 131.500 0.25 1 660 515 87 PHE N N 117.573 0.25 1 661 516 88 LYS H H 7.559 0.04 1 662 516 88 LYS HA H 4.692 0.04 1 663 516 88 LYS HB2 H 1.509 0.04 1 664 516 88 LYS HB3 H 2.147 0.04 1 665 516 88 LYS HG2 H 1.610 0.04 1 666 516 88 LYS HG3 H 1.684 0.04 1 667 516 88 LYS HD2 H 1.272 0.04 1 668 516 88 LYS HD3 H 1.337 0.04 1 669 516 88 LYS HE3 H 2.965 0.04 1 670 516 88 LYS C C 175.821 0.25 1 671 516 88 LYS CA C 54.851 0.25 1 672 516 88 LYS CB C 33.855 0.25 1 673 516 88 LYS CG C 24.983 0.25 1 674 516 88 LYS CD C 29.202 0.25 1 675 516 88 LYS CE C 43.600 0.25 1 676 516 88 LYS N N 118.690 0.25 1 677 517 89 ALA H H 7.219 0.04 1 678 517 89 ALA HA H 4.530 0.04 1 679 517 89 ALA HB H 1.330 0.04 1 680 517 89 ALA CA C 52.124 0.25 1 681 517 89 ALA CB C 20.974 0.25 1 682 517 89 ALA N N 121.471 0.25 1 683 518 90 GLY HA3 H 3.818 0.04 1 684 518 90 GLY C C 175.423 0.25 1 685 518 90 GLY CA C 46.692 0.25 1 686 519 91 LEU H H 8.531 0.04 1 687 519 91 LEU HA H 4.348 0.04 1 688 519 91 LEU HB2 H 1.450 0.04 1 689 519 91 LEU HB3 H 1.550 0.04 1 690 519 91 LEU HG H 0.690 0.04 1 691 519 91 LEU HD1 H 0.490 0.04 1 692 519 91 LEU HD2 H 0.370 0.04 1 693 519 91 LEU C C 177.704 0.25 1 694 519 91 LEU CA C 54.535 0.25 1 695 519 91 LEU CB C 41.174 0.25 1 696 519 91 LEU N N 119.857 0.25 1 697 520 92 THR H H 9.352 0.04 1 698 520 92 THR HA H 4.260 0.04 1 699 520 92 THR HB H 4.360 0.04 1 700 520 92 THR HG2 H 1.460 0.04 1 701 520 92 THR CA C 61.653 0.25 1 702 520 92 THR CB C 71.260 0.25 1 703 520 92 THR CG2 C 23.000 0.25 1 704 520 92 THR N N 113.386 0.25 1 705 522 94 CYS HA H 4.385 0.04 1 706 522 94 CYS HB2 H 2.420 0.04 1 707 522 94 CYS HB3 H 3.430 0.04 1 708 522 94 CYS C C 175.903 0.25 1 709 522 94 CYS CA C 58.664 0.25 1 710 522 94 CYS CB C 31.785 0.25 1 711 523 95 HIS H H 7.210 0.04 1 712 523 95 HIS HA H 4.430 0.04 1 713 523 95 HIS HB2 H 2.090 0.04 1 714 523 95 HIS HB3 H 3.160 0.04 1 715 523 95 HIS HD2 H 6.230 0.04 1 716 523 95 HIS HE1 H 7.280 0.04 1 717 523 95 HIS C C 178.292 0.25 1 718 523 95 HIS CA C 55.874 0.25 1 719 523 95 HIS CB C 33.792 0.25 1 720 523 95 HIS CD2 C 113.600 0.25 1 721 523 95 HIS CE1 C 138.000 0.25 1 722 523 95 HIS N N 125.416 0.25 1 723 524 96 LEU H H 8.407 0.04 1 724 524 96 LEU HA H 3.447 0.04 1 725 524 96 LEU HB2 H 1.113 0.04 1 726 524 96 LEU HB3 H 1.770 0.04 1 727 524 96 LEU HG H 1.330 0.04 1 728 524 96 LEU HD1 H 0.673 0.04 1 729 524 96 LEU HD2 H 0.439 0.04 1 730 524 96 LEU C C 179.772 0.25 1 731 524 96 LEU CA C 58.643 0.25 1 732 524 96 LEU CB C 41.395 0.25 1 733 524 96 LEU CG C 26.600 0.25 1 734 524 96 LEU CD1 C 25.200 0.25 1 735 524 96 LEU CD2 C 24.000 0.25 1 736 524 96 LEU N N 120.382 0.25 1 737 525 97 ASN H H 8.540 0.04 1 738 525 97 ASN HA H 4.474 0.04 1 739 525 97 ASN HB3 H 2.722 0.04 1 740 525 97 ASN HD21 H 7.630 0.04 1 741 525 97 ASN HD22 H 7.040 0.04 1 742 525 97 ASN C C 176.493 0.25 1 743 525 97 ASN CA C 55.154 0.25 1 744 525 97 ASN CB C 38.056 0.25 1 745 525 97 ASN N N 115.617 0.25 1 746 525 97 ASN ND2 N 112.500 0.25 1 747 526 98 GLN H H 7.492 0.04 1 748 526 98 GLN HA H 4.004 0.04 1 749 526 98 GLN HE21 H 7.520 0.04 1 750 526 98 GLN HE22 H 6.850 0.04 1 751 526 98 GLN C C 175.549 0.25 1 752 526 98 GLN CA C 57.483 0.25 1 753 526 98 GLN CB C 29.433 0.25 1 754 526 98 GLN CG C 33.600 0.25 1 755 526 98 GLN N N 116.828 0.25 1 756 526 98 GLN NE2 N 112.500 0.25 1 757 527 99 LEU H H 6.803 0.04 1 758 527 99 LEU HA H 4.064 0.04 1 759 527 99 LEU HB2 H 0.760 0.04 1 760 527 99 LEU HB3 H 1.250 0.04 1 761 527 99 LEU HG H 1.310 0.04 1 762 527 99 LEU HD1 H 0.510 0.04 1 763 527 99 LEU HD2 H 0.110 0.04 1 764 527 99 LEU C C 178.808 0.25 1 765 527 99 LEU CA C 55.460 0.25 1 766 527 99 LEU CB C 43.643 0.25 1 767 527 99 LEU CG C 26.100 0.25 1 768 527 99 LEU CD1 C 22.700 0.25 1 769 527 99 LEU CD2 C 25.200 0.25 1 770 527 99 LEU N N 115.200 0.25 1 771 528 100 ARG H H 8.763 0.04 1 772 528 100 ARG HA H 4.230 0.04 1 773 528 100 ARG HB2 H 1.690 0.04 1 774 528 100 ARG HB3 H 1.930 0.04 1 775 528 100 ARG HD2 H 3.240 0.04 1 776 528 100 ARG HD3 H 3.600 0.04 1 777 528 100 ARG CA C 61.240 0.25 1 778 528 100 ARG CB C 28.670 0.25 1 779 528 100 ARG N N 121.174 0.25 1 780 529 101 PRO HA H 4.397 0.04 1 781 529 101 PRO HB2 H 1.620 0.04 1 782 529 101 PRO HB3 H 2.320 0.04 1 783 529 101 PRO HG3 H 1.900 0.04 1 784 529 101 PRO C C 176.672 0.25 1 785 529 101 PRO CA C 65.693 0.25 1 786 529 101 PRO CB C 30.983 0.25 1 787 529 101 PRO CG C 28.200 0.25 1 788 530 102 LEU H H 6.762 0.04 1 789 530 102 LEU HA H 4.198 0.04 1 790 530 102 LEU HB2 H 1.387 0.04 1 791 530 102 LEU HB3 H 1.660 0.04 1 792 530 102 LEU HG H 0.880 0.04 1 793 530 102 LEU HD2 H 0.648 0.04 1 794 530 102 LEU C C 176.746 0.25 1 795 530 102 LEU CA C 53.564 0.25 1 796 530 102 LEU CB C 42.143 0.25 1 797 530 102 LEU CG C 26.848 0.25 1 798 530 102 LEU CD2 C 22.633 0.25 1 799 530 102 LEU N N 112.952 0.25 1 800 531 103 LYS H H 8.319 0.04 1 801 531 103 LYS HA H 3.921 0.04 1 802 531 103 LYS HB2 H 2.148 0.04 1 803 531 103 LYS HB3 H 2.252 0.04 1 804 531 103 LYS HG2 H 1.310 0.04 1 805 531 103 LYS HG3 H 1.530 0.04 1 806 531 103 LYS HD2 H 1.740 0.04 1 807 531 103 LYS HD3 H 1.900 0.04 1 808 531 103 LYS HE3 H 3.020 0.04 1 809 531 103 LYS C C 173.427 0.25 1 810 531 103 LYS CA C 56.732 0.25 1 811 531 103 LYS CB C 28.329 0.25 1 812 531 103 LYS CG C 25.500 0.25 1 813 531 103 LYS CD C 29.100 0.25 1 814 531 103 LYS CE C 42.600 0.25 1 815 531 103 LYS N N 114.491 0.25 1 816 532 104 VAL H H 6.295 0.04 1 817 532 104 VAL HA H 2.631 0.04 1 818 532 104 VAL HB H 1.216 0.04 1 819 532 104 VAL HG1 H 0.306 0.04 1 820 532 104 VAL HG2 H -0.192 0.04 1 821 532 104 VAL C C 174.660 0.25 1 822 532 104 VAL CA C 65.644 0.25 1 823 532 104 VAL CB C 32.120 0.25 1 824 532 104 VAL CG1 C 21.300 0.25 1 825 532 104 VAL CG2 C 21.900 0.25 1 826 532 104 VAL N N 114.641 0.25 1 827 533 105 ARG H H 8.446 0.04 1 828 533 105 ARG HA H 4.473 0.04 1 829 533 105 ARG HB3 H 1.391 0.04 1 830 533 105 ARG C C 173.734 0.25 1 831 533 105 ARG CA C 55.062 0.25 1 832 533 105 ARG CB C 30.163 0.25 1 833 533 105 ARG N N 120.970 0.25 1 834 534 106 ALA H H 8.477 0.04 1 835 534 106 ALA HA H 4.842 0.04 1 836 534 106 ALA HB H 1.677 0.04 1 837 534 106 ALA C C 176.821 0.25 1 838 534 106 ALA CA C 51.093 0.25 1 839 534 106 ALA CB C 24.474 0.25 1 840 534 106 ALA N N 123.443 0.25 1 841 535 107 ASN H H 8.910 0.04 1 842 535 107 ASN HA H 5.709 0.04 1 843 535 107 ASN HB2 H 1.861 0.04 1 844 535 107 ASN HB3 H 2.683 0.04 1 845 535 107 ASN HD21 H 6.570 0.04 1 846 535 107 ASN HD22 H 6.330 0.04 1 847 535 107 ASN C C 171.453 0.25 1 848 535 107 ASN CA C 52.188 0.25 1 849 535 107 ASN CB C 44.081 0.25 1 850 535 107 ASN N N 121.981 0.25 1 851 535 107 ASN ND2 N 105.800 0.25 1 852 536 108 LEU H H 9.242 0.04 1 853 536 108 LEU HA H 5.104 0.04 1 854 536 108 LEU HB2 H -1.020 0.04 1 855 536 108 LEU HB3 H 0.587 0.04 1 856 536 108 LEU HG H 0.950 0.04 1 857 536 108 LEU HD1 H 0.472 0.04 1 858 536 108 LEU HD2 H -0.460 0.04 1 859 536 108 LEU C C 173.245 0.25 1 860 536 108 LEU CA C 53.812 0.25 1 861 536 108 LEU CB C 41.977 0.25 1 862 536 108 LEU CG C 26.800 0.25 1 863 536 108 LEU CD1 C 23.900 0.25 1 864 536 108 LEU CD2 C 25.800 0.25 1 865 536 108 LEU N N 132.341 0.25 1 866 537 109 VAL H H 9.258 0.04 1 867 537 109 VAL HA H 4.580 0.04 1 868 537 109 VAL HB H 2.235 0.04 1 869 537 109 VAL HG1 H 0.682 0.04 1 870 537 109 VAL HG2 H 0.581 0.04 1 871 537 109 VAL C C 174.764 0.25 1 872 537 109 VAL CA C 61.450 0.25 1 873 537 109 VAL CB C 35.260 0.25 1 874 537 109 VAL CG1 C 19.830 0.25 1 875 537 109 VAL CG2 C 23.596 0.25 1 876 537 109 VAL N N 126.829 0.25 1 877 538 110 VAL H H 8.809 0.04 1 878 538 110 VAL HA H 5.240 0.04 1 879 538 110 VAL HB H 2.170 0.04 1 880 538 110 VAL HG1 H 0.990 0.04 1 881 538 110 VAL HG2 H 0.750 0.04 1 882 538 110 VAL CA C 56.785 0.25 1 883 538 110 VAL CB C 33.470 0.25 1 884 538 110 VAL CG1 C 21.800 0.25 1 885 538 110 VAL CG2 C 21.800 0.25 1 886 538 110 VAL N N 120.280 0.25 1 887 539 111 PRO HA H 4.756 0.04 1 888 539 111 PRO C C 175.826 0.25 1 889 539 111 PRO CA C 62.754 0.25 1 890 539 111 PRO CB C 34.400 0.25 1 891 540 112 MET H H 8.360 0.04 1 892 540 112 MET HA H 4.397 0.04 1 893 540 112 MET HG3 H 2.133 0.04 1 894 540 112 MET HE H 1.730 0.04 1 895 540 112 MET C C 173.839 0.25 1 896 540 112 MET CA C 55.758 0.25 1 897 540 112 MET CB C 34.217 0.25 1 898 540 112 MET CE C 16.300 0.25 1 899 540 112 MET N N 118.724 0.25 1 900 541 113 VAL H H 8.383 0.04 1 901 541 113 VAL HA H 5.100 0.04 1 902 541 113 VAL HB H 1.920 0.04 1 903 541 113 VAL HG1 H 0.838 0.04 1 904 541 113 VAL HG2 H 0.910 0.04 1 905 541 113 VAL C C 174.569 0.25 1 906 541 113 VAL CA C 60.526 0.25 1 907 541 113 VAL CB C 34.461 0.25 1 908 541 113 VAL CG1 C 20.200 0.25 1 909 541 113 VAL CG2 C 21.600 0.25 1 910 541 113 VAL N N 125.320 0.25 1 911 542 114 ILE H H 8.470 0.04 1 912 542 114 ILE HA H 4.256 0.04 1 913 542 114 ILE HB H 1.620 0.04 1 914 542 114 ILE HG12 H 1.040 0.04 1 915 542 114 ILE HG13 H 1.380 0.04 1 916 542 114 ILE HG2 H 0.720 0.04 1 917 542 114 ILE HD1 H 0.530 0.04 1 918 542 114 ILE C C 175.815 0.25 1 919 542 114 ILE CA C 60.441 0.25 1 920 542 114 ILE CB C 41.219 0.25 1 921 542 114 ILE CG1 C 27.900 0.25 1 922 542 114 ILE CG2 C 17.100 0.25 1 923 542 114 ILE CD1 C 14.200 0.25 1 924 542 114 ILE N N 125.677 0.25 1 925 543 115 ASP H H 9.650 0.04 1 926 543 115 ASP HA H 4.150 0.04 1 927 543 115 ASP HB3 H 2.910 0.04 1 928 543 115 ASP CA C 56.014 0.25 1 929 543 115 ASP CB C 39.515 0.25 1 930 543 115 ASP N N 130.204 0.25 1 931 544 116 ASP HA H 4.180 0.04 1 932 544 116 ASP HB2 H 2.690 0.04 1 933 544 116 ASP HB3 H 2.790 0.04 1 934 544 116 ASP C C 174.473 0.25 1 935 544 116 ASP CA C 55.500 0.25 1 936 544 116 ASP CB C 40.941 0.25 1 937 545 117 GLN H H 7.868 0.04 1 938 545 117 GLN CA C 53.533 0.25 1 939 545 117 GLN N N 117.251 0.25 1 940 546 118 LEU C C 174.500 0.25 1 941 547 119 PHE H H 9.120 0.04 1 942 547 119 PHE HA H 4.650 0.04 1 943 547 119 PHE HB2 H 2.980 0.04 1 944 547 119 PHE HB3 H 3.070 0.04 1 945 547 119 PHE HD1 H 7.160 0.04 1 946 547 119 PHE HE1 H 7.180 0.04 1 947 547 119 PHE C C 176.033 0.25 1 948 547 119 PHE CA C 59.700 0.25 1 949 547 119 PHE CB C 40.800 0.25 1 950 547 119 PHE CD1 C 131.400 0.25 1 951 547 119 PHE CE1 C 129.500 0.25 1 952 547 119 PHE N N 130.200 0.25 1 953 548 120 GLY H H 7.939 0.04 1 954 548 120 GLY HA3 H 4.072 0.04 1 955 548 120 GLY C C 169.494 0.25 1 956 548 120 GLY CA C 46.008 0.25 1 957 548 120 GLY N N 102.705 0.25 1 958 549 121 LEU H H 9.279 0.04 1 959 549 121 LEU HA H 4.870 0.04 1 960 549 121 LEU C C 173.746 0.25 1 961 549 121 LEU CA C 53.108 0.25 1 962 549 121 LEU CB C 44.752 0.25 1 963 549 121 LEU CG C 26.500 0.25 1 964 549 121 LEU N N 118.437 0.25 1 965 550 122 LEU H H 9.068 0.04 1 966 550 122 LEU HA H 4.881 0.04 1 967 550 122 LEU HB2 H 0.866 0.04 1 968 550 122 LEU HB3 H 1.529 0.04 1 969 550 122 LEU HG H 1.120 0.04 1 970 550 122 LEU HD1 H 0.540 0.04 1 971 550 122 LEU HD2 H -0.066 0.04 1 972 550 122 LEU C C 174.669 0.25 1 973 550 122 LEU CA C 54.216 0.25 1 974 550 122 LEU CB C 42.954 0.25 1 975 550 122 LEU CG C 27.145 0.25 1 976 550 122 LEU CD1 C 24.335 0.25 1 977 550 122 LEU CD2 C 25.756 0.25 1 978 550 122 LEU N N 127.359 0.25 1 979 551 123 ILE H H 8.584 0.04 1 980 551 123 ILE HA H 5.234 0.04 1 981 551 123 ILE HB H 1.268 0.04 1 982 551 123 ILE HG12 H 0.910 0.04 1 983 551 123 ILE HG13 H 1.280 0.04 1 984 551 123 ILE HG2 H 0.470 0.04 1 985 551 123 ILE HD1 H 0.574 0.04 1 986 551 123 ILE C C 173.709 0.25 1 987 551 123 ILE CA C 59.720 0.25 1 988 551 123 ILE CB C 42.210 0.25 1 989 551 123 ILE CG1 C 28.121 0.25 1 990 551 123 ILE CG2 C 17.199 0.25 1 991 551 123 ILE N N 126.177 0.25 1 992 552 124 ALA H H 9.709 0.04 1 993 552 124 ALA HA H 5.194 0.04 1 994 552 124 ALA HB H 0.776 0.04 1 995 552 124 ALA C C 175.549 0.25 1 996 552 124 ALA CA C 49.380 0.25 1 997 552 124 ALA CB C 23.712 0.25 1 998 552 124 ALA N N 129.345 0.25 1 999 553 125 HIS H H 9.151 0.04 1 1000 553 125 HIS HA H 6.162 0.04 1 1001 553 125 HIS HB2 H 2.628 0.04 1 1002 553 125 HIS HB3 H 2.965 0.04 1 1003 553 125 HIS HD2 H 7.500 0.04 1 1004 553 125 HIS HE1 H 6.920 0.04 1 1005 553 125 HIS HE2 H 11.150 0.04 1 1006 553 125 HIS C C 177.121 0.25 1 1007 553 125 HIS CA C 51.965 0.25 1 1008 553 125 HIS CB C 36.593 0.25 1 1009 553 125 HIS CD2 C 119.000 0.25 1 1010 553 125 HIS CE1 C 133.900 0.25 1 1011 553 125 HIS N N 115.303 0.25 1 1012 554 126 GLN H H 8.647 0.04 1 1013 554 126 GLN HA H 4.540 0.04 1 1014 554 126 GLN HB2 H 2.140 0.04 1 1015 554 126 GLN HB3 H 1.690 0.04 1 1016 554 126 GLN HE21 H 6.990 0.04 1 1017 554 126 GLN HE22 H 6.750 0.04 1 1018 554 126 GLN C C 174.320 0.25 1 1019 554 126 GLN CA C 55.976 0.25 1 1020 554 126 GLN CB C 30.828 0.25 1 1021 554 126 GLN N N 124.107 0.25 1 1022 554 126 GLN NE2 N 111.100 0.25 1 1023 555 127 ALA H H 11.550 0.04 1 1024 555 127 ALA HA H 4.617 0.04 1 1025 555 127 ALA HB H -0.103 0.04 1 1026 555 127 ALA C C 177.422 0.25 1 1027 555 127 ALA CA C 52.406 0.25 1 1028 555 127 ALA CB C 19.553 0.25 1 1029 555 127 ALA N N 136.582 0.25 1 1030 556 128 SER H H 8.083 0.04 1 1031 556 128 SER HA H 4.044 0.04 1 1032 556 128 SER HB2 H 4.090 0.04 1 1033 556 128 SER HB3 H 4.239 0.04 1 1034 556 128 SER C C 174.912 0.25 1 1035 556 128 SER CA C 61.145 0.25 1 1036 556 128 SER CB C 62.905 0.25 1 1037 556 128 SER N N 111.945 0.25 1 1038 557 129 GLU H H 7.318 0.04 1 1039 557 129 GLU CA C 53.900 0.25 1 1040 557 129 GLU CB C 30.171 0.25 1 1041 557 129 GLU N N 117.238 0.25 1 1042 558 130 PRO HA H 4.194 0.04 1 1043 558 130 PRO HB2 H 1.621 0.04 1 1044 558 130 PRO HB3 H 2.022 0.04 1 1045 558 130 PRO HG3 H 1.950 0.04 1 1046 558 130 PRO C C 174.855 0.25 1 1047 558 130 PRO CA C 62.915 0.25 1 1048 558 130 PRO CB C 32.862 0.25 1 1049 558 130 PRO CG C 28.114 0.25 1 1050 559 131 ARG H H 7.836 0.04 1 1051 559 131 ARG HA H 3.945 0.04 1 1052 559 131 ARG HB2 H 0.518 0.04 1 1053 559 131 ARG HB3 H 0.899 0.04 1 1054 559 131 ARG HG2 H -0.170 0.04 1 1055 559 131 ARG HD3 H 2.360 0.04 1 1056 559 131 ARG HE H 7.780 0.04 1 1057 559 131 ARG HH21 H 7.110 0.04 1 1058 559 131 ARG HH22 H 6.040 0.04 1 1059 559 131 ARG C C 171.134 0.25 1 1060 559 131 ARG CA C 55.538 0.25 1 1061 559 131 ARG CB C 33.169 0.25 1 1062 559 131 ARG CG C 25.209 0.25 1 1063 559 131 ARG CD C 43.310 0.25 1 1064 559 131 ARG N N 121.957 0.25 1 1065 559 131 ARG NE N 87.310 0.25 1 1066 559 131 ARG NH2 N 70.700 0.25 1 1067 560 132 GLN H H 8.332 0.04 1 1068 560 132 GLN HA H 4.372 0.04 1 1069 560 132 GLN HB2 H 1.702 0.04 1 1070 560 132 GLN HB3 H 1.857 0.04 1 1071 560 132 GLN HG2 H 2.005 0.04 1 1072 560 132 GLN HG3 H 2.105 0.04 1 1073 560 132 GLN HE21 H 7.560 0.04 1 1074 560 132 GLN HE22 H 6.870 0.04 1 1075 560 132 GLN C C 175.848 0.25 1 1076 560 132 GLN CA C 53.622 0.25 1 1077 560 132 GLN CB C 27.811 0.25 1 1078 560 132 GLN CG C 33.614 0.25 1 1079 560 132 GLN N N 126.067 0.25 1 1080 560 132 GLN NE2 N 113.000 0.25 1 1081 561 133 TRP H H 7.982 0.04 1 1082 561 133 TRP HA H 4.522 0.04 1 1083 561 133 TRP HB2 H 2.906 0.04 1 1084 561 133 TRP HB3 H 3.021 0.04 1 1085 561 133 TRP HD1 H 7.250 0.04 1 1086 561 133 TRP HE3 H 7.300 0.04 1 1087 561 133 TRP HZ2 H 6.850 0.04 1 1088 561 133 TRP HZ3 H 6.500 0.04 1 1089 561 133 TRP HH2 H 6.600 0.04 1 1090 561 133 TRP C C 176.141 0.25 1 1091 561 133 TRP CA C 56.337 0.25 1 1092 561 133 TRP CB C 28.840 0.25 1 1093 561 133 TRP CD1 C 128.400 0.25 1 1094 561 133 TRP CE3 C 120.300 0.25 1 1095 561 133 TRP CZ2 C 114.300 0.25 1 1096 561 133 TRP CZ3 C 121.000 0.25 1 1097 561 133 TRP CH2 C 123.000 0.25 1 1098 561 133 TRP N N 133.373 0.25 1 1099 562 134 GLN H H 9.763 0.04 1 1100 562 134 GLN HA H 4.454 0.04 1 1101 562 134 GLN HB2 H 2.460 0.04 1 1102 562 134 GLN HB3 H 1.744 0.04 1 1103 562 134 GLN HG2 H 2.440 0.04 1 1104 562 134 GLN HG3 H 2.490 0.04 1 1105 562 134 GLN HE21 H 7.280 0.04 1 1106 562 134 GLN HE22 H 6.910 0.04 1 1107 562 134 GLN C C 177.088 0.25 1 1108 562 134 GLN CA C 54.676 0.25 1 1109 562 134 GLN CB C 30.526 0.25 1 1110 562 134 GLN CG C 34.000 0.25 1 1111 562 134 GLN N N 124.678 0.25 1 1112 562 134 GLN NE2 N 113.200 0.25 1 1113 563 135 GLU H H 9.210 0.04 1 1114 563 135 GLU HA H 3.907 0.04 1 1115 563 135 GLU HB3 H 2.095 0.04 1 1116 563 135 GLU HG2 H 2.308 0.04 1 1117 563 135 GLU HG3 H 2.397 0.04 1 1118 563 135 GLU C C 178.742 0.25 1 1119 563 135 GLU CA C 61.275 0.25 1 1120 563 135 GLU CB C 29.149 0.25 1 1121 563 135 GLU CG C 36.758 0.25 1 1122 563 135 GLU N N 124.545 0.25 1 1123 564 136 ILE H H 8.496 0.04 1 1124 564 136 ILE HA H 4.208 0.04 1 1125 564 136 ILE HB H 1.889 0.04 1 1126 564 136 ILE HG12 H 1.258 0.04 1 1127 564 136 ILE HG13 H 1.512 0.04 1 1128 564 136 ILE HG2 H 0.930 0.04 1 1129 564 136 ILE HD1 H 0.900 0.04 1 1130 564 136 ILE C C 177.462 0.25 1 1131 564 136 ILE CA C 63.380 0.25 1 1132 564 136 ILE CB C 37.828 0.25 1 1133 564 136 ILE CG1 C 28.762 0.25 1 1134 564 136 ILE CG2 C 17.846 0.25 1 1135 564 136 ILE CD1 C 13.986 0.25 1 1136 564 136 ILE N N 115.275 0.25 1 1137 565 137 GLU H H 6.668 0.04 1 1138 565 137 GLU HA H 4.009 0.04 1 1139 565 137 GLU HB2 H 1.806 0.04 1 1140 565 137 GLU HB3 H 2.744 0.04 1 1141 565 137 GLU HG3 H 2.298 0.04 1 1142 565 137 GLU C C 178.217 0.25 1 1143 565 137 GLU CA C 58.713 0.25 1 1144 565 137 GLU CB C 29.685 0.25 1 1145 565 137 GLU CG C 36.796 0.25 1 1146 565 137 GLU N N 121.174 0.25 1 1147 566 138 ILE H H 8.165 0.04 1 1148 566 138 ILE HA H 3.387 0.04 1 1149 566 138 ILE HB H 1.917 0.04 1 1150 566 138 ILE HG13 H 1.700 0.04 1 1151 566 138 ILE HG2 H 0.953 0.04 1 1152 566 138 ILE HD1 H 0.734 0.04 1 1153 566 138 ILE C C 178.911 0.25 1 1154 566 138 ILE CA C 66.484 0.25 1 1155 566 138 ILE CB C 38.410 0.25 1 1156 566 138 ILE CG1 C 29.200 0.25 1 1157 566 138 ILE CG2 C 17.911 0.25 1 1158 566 138 ILE CD1 C 13.702 0.25 1 1159 566 138 ILE N N 119.747 0.25 1 1160 567 139 ASP H H 8.574 0.04 1 1161 567 139 ASP HA H 4.373 0.04 1 1162 567 139 ASP HB2 H 2.719 0.04 1 1163 567 139 ASP HB3 H 2.838 0.04 1 1164 567 139 ASP C C 179.462 0.25 1 1165 567 139 ASP CA C 57.949 0.25 1 1166 567 139 ASP CB C 40.516 0.25 1 1167 567 139 ASP N N 120.827 0.25 1 1168 568 140 GLN H H 8.321 0.04 1 1169 568 140 GLN HA H 4.140 0.04 1 1170 568 140 GLN HB2 H 2.089 0.04 1 1171 568 140 GLN HB3 H 2.298 0.04 1 1172 568 140 GLN HG2 H 2.379 0.04 1 1173 568 140 GLN HG3 H 2.832 0.04 1 1174 568 140 GLN HE21 H 7.240 0.04 1 1175 568 140 GLN HE22 H 6.720 0.04 1 1176 568 140 GLN C C 179.204 0.25 1 1177 568 140 GLN CA C 59.294 0.25 1 1178 568 140 GLN CB C 29.558 0.25 1 1179 568 140 GLN CG C 35.136 0.25 1 1180 568 140 GLN N N 118.625 0.25 1 1181 568 140 GLN NE2 N 109.600 0.25 1 1182 569 141 PHE H H 8.999 0.04 1 1183 569 141 PHE HA H 4.310 0.04 1 1184 569 141 PHE HB2 H 2.929 0.04 1 1185 569 141 PHE HB3 H 3.197 0.04 1 1186 569 141 PHE HD1 H 6.900 0.04 1 1187 569 141 PHE HE1 H 6.900 0.04 1 1188 569 141 PHE HZ H 6.810 0.04 1 1189 569 141 PHE C C 177.387 0.25 1 1190 569 141 PHE CA C 61.106 0.25 1 1191 569 141 PHE CB C 40.452 0.25 1 1192 569 141 PHE CD1 C 131.400 0.25 1 1193 569 141 PHE CE1 C 131.400 0.25 1 1194 569 141 PHE CZ C 130.700 0.25 1 1195 569 141 PHE N N 124.764 0.25 1 1196 570 142 SER H H 8.979 0.04 1 1197 570 142 SER HA H 4.145 0.04 1 1198 570 142 SER HB3 H 4.046 0.04 1 1199 570 142 SER C C 177.181 0.25 1 1200 570 142 SER CA C 61.933 0.25 1 1201 570 142 SER CB C 63.049 0.25 1 1202 570 142 SER N N 113.882 0.25 1 1203 571 143 GLU H H 8.282 0.04 1 1204 571 143 GLU HA H 4.146 0.04 1 1205 571 143 GLU HB3 H 2.166 0.04 1 1206 571 143 GLU HG2 H 2.150 0.04 1 1207 571 143 GLU HG3 H 2.338 0.04 1 1208 571 143 GLU C C 179.006 0.25 1 1209 571 143 GLU CA C 59.437 0.25 1 1210 571 143 GLU CB C 29.269 0.25 1 1211 571 143 GLU CG C 36.382 0.25 1 1212 571 143 GLU N N 123.710 0.25 1 1213 572 144 LEU H H 7.722 0.04 1 1214 572 144 LEU HA H 4.030 0.04 1 1215 572 144 LEU HB2 H 1.571 0.04 1 1216 572 144 LEU HB3 H 1.839 0.04 1 1217 572 144 LEU HG H 1.350 0.04 1 1218 572 144 LEU HD1 H 0.851 0.04 1 1219 572 144 LEU HD2 H 0.830 0.04 1 1220 572 144 LEU C C 178.204 0.25 1 1221 572 144 LEU CA C 58.186 0.25 1 1222 572 144 LEU CB C 41.303 0.25 1 1223 572 144 LEU CG C 26.711 0.25 1 1224 572 144 LEU CD1 C 25.652 0.25 1 1225 572 144 LEU CD2 C 23.898 0.25 1 1226 572 144 LEU N N 123.115 0.25 1 1227 573 145 ALA H H 7.701 0.04 1 1228 573 145 ALA HA H 3.703 0.04 1 1229 573 145 ALA HB H 1.296 0.04 1 1230 573 145 ALA C C 180.276 0.25 1 1231 573 145 ALA CA C 55.577 0.25 1 1232 573 145 ALA CB C 19.090 0.25 1 1233 573 145 ALA N N 120.384 0.25 1 1234 574 146 SER H H 8.679 0.04 1 1235 574 146 SER HA H 4.373 0.04 1 1236 574 146 SER HB2 H 4.041 0.04 1 1237 574 146 SER HB3 H 4.069 0.04 1 1238 574 146 SER C C 177.259 0.25 1 1239 574 146 SER CA C 61.851 0.25 1 1240 574 146 SER CB C 62.460 0.25 1 1241 574 146 SER N N 116.150 0.25 1 1242 575 147 THR H H 8.685 0.04 1 1243 575 147 THR HA H 3.985 0.04 1 1244 575 147 THR HB H 4.299 0.04 1 1245 575 147 THR HG2 H 1.199 0.04 1 1246 575 147 THR C C 177.023 0.25 1 1247 575 147 THR CA C 66.859 0.25 1 1248 575 147 THR CB C 68.370 0.25 1 1249 575 147 THR CG2 C 21.800 0.25 1 1250 575 147 THR N N 120.316 0.25 1 1251 576 148 GLY H H 8.565 0.04 1 1252 576 148 GLY HA2 H 3.450 0.04 1 1253 576 148 GLY HA3 H 3.521 0.04 1 1254 576 148 GLY C C 174.096 0.25 1 1255 576 148 GLY CA C 47.730 0.25 1 1256 576 148 GLY N N 107.996 0.25 1 1257 577 149 SER H H 8.425 0.04 1 1258 577 149 SER HA H 3.840 0.04 1 1259 577 149 SER HB3 H 4.260 0.04 1 1260 577 149 SER CA C 63.146 0.25 1 1261 577 149 SER N N 118.026 0.25 1 1262 578 150 LEU HA H 3.700 0.04 1 1263 578 150 LEU HB2 H 0.970 0.04 1 1264 578 150 LEU HB3 H 1.700 0.04 1 1265 578 150 LEU HG H 1.470 0.04 1 1266 578 150 LEU HD1 H 0.420 0.04 1 1267 578 150 LEU HD2 H 0.430 0.04 1 1268 578 150 LEU C C 179.316 0.25 1 1269 578 150 LEU CA C 57.995 0.25 1 1270 578 150 LEU CB C 41.739 0.25 1 1271 578 150 LEU CG C 27.300 0.25 1 1272 578 150 LEU CD1 C 25.900 0.25 1 1273 578 150 LEU CD2 C 23.500 0.25 1 1274 579 151 VAL H H 8.773 0.04 1 1275 579 151 VAL CB C 31.123 0.25 1 1276 579 151 VAL N N 122.330 0.25 1 1277 584 156 HIS HA H 4.332 0.04 1 1278 584 156 HIS HB2 H 3.040 0.04 1 1279 584 156 HIS HB3 H 3.180 0.04 1 1280 584 156 HIS C C 177.320 0.25 1 1281 584 156 HIS CA C 59.034 0.25 1 1282 584 156 HIS CB C 29.981 0.25 1 1283 585 157 PHE H H 8.065 0.04 1 1284 585 157 PHE HA H 4.316 0.04 1 1285 585 157 PHE HB2 H 3.180 0.04 1 1286 585 157 PHE HB3 H 3.199 0.04 1 1287 585 157 PHE HD1 H 7.260 0.04 1 1288 585 157 PHE C C 178.195 0.25 1 1289 585 157 PHE CA C 60.326 0.25 1 1290 585 157 PHE CB C 38.773 0.25 1 1291 585 157 PHE N N 118.557 0.25 1 1292 586 158 LEU H H 8.153 0.04 1 1293 586 158 LEU HA H 4.060 0.04 1 1294 586 158 LEU HB2 H 1.680 0.04 1 1295 586 158 LEU HB3 H 1.810 0.04 1 1296 586 158 LEU HG H 1.680 0.04 1 1297 586 158 LEU HD2 H 0.878 0.04 1 1298 586 158 LEU C C 178.863 0.25 1 1299 586 158 LEU CA C 57.423 0.25 1 1300 586 158 LEU CB C 42.042 0.25 1 1301 586 158 LEU CG C 26.847 0.25 1 1302 586 158 LEU CD2 C 24.817 0.25 1 1303 586 158 LEU N N 121.964 0.25 1 1304 587 159 GLU H H 8.234 0.04 1 1305 587 159 GLU HA H 4.016 0.04 1 1306 587 159 GLU HB3 H 1.998 0.04 1 1307 587 159 GLU HG2 H 2.201 0.04 1 1308 587 159 GLU HG3 H 2.428 0.04 1 1309 587 159 GLU C C 178.330 0.25 1 1310 587 159 GLU CA C 58.475 0.25 1 1311 587 159 GLU CB C 29.825 0.25 1 1312 587 159 GLU CG C 36.718 0.25 1 1313 587 159 GLU N N 119.163 0.25 1 1314 588 160 GLN H H 8.003 0.04 1 1315 588 160 GLN HA H 4.136 0.04 1 1316 588 160 GLN HB2 H 1.984 0.04 1 1317 588 160 GLN HB3 H 2.046 0.04 1 1318 588 160 GLN HG3 H 2.225 0.04 1 1319 588 160 GLN HE21 H 7.250 0.04 1 1320 588 160 GLN HE22 H 6.820 0.04 1 1321 588 160 GLN C C 177.452 0.25 1 1322 588 160 GLN CA C 57.188 0.25 1 1323 588 160 GLN CB C 28.932 0.25 1 1324 588 160 GLN CG C 33.907 0.25 1 1325 588 160 GLN N N 118.390 0.25 1 1326 588 160 GLN NE2 N 112.500 0.25 1 1327 589 161 THR H H 7.957 0.04 1 1328 589 161 THR HA H 4.136 0.04 1 1329 589 161 THR HB H 4.163 0.04 1 1330 589 161 THR HG2 H 1.092 0.04 1 1331 589 161 THR C C 175.620 0.25 1 1332 589 161 THR CA C 63.840 0.25 1 1333 589 161 THR CB C 69.380 0.25 1 1334 589 161 THR CG2 C 21.500 0.25 1 1335 589 161 THR N N 115.070 0.25 1 1336 590 162 ILE H H 7.985 0.04 1 1337 590 162 ILE HA H 3.926 0.04 1 1338 590 162 ILE HB H 1.842 0.04 1 1339 590 162 ILE HG12 H 1.120 0.04 1 1340 590 162 ILE HG13 H 1.470 0.04 1 1341 590 162 ILE HG2 H 0.863 0.04 1 1342 590 162 ILE HD1 H 0.760 0.04 1 1343 590 162 ILE C C 176.914 0.25 1 1344 590 162 ILE CA C 62.663 0.25 1 1345 590 162 ILE CB C 38.222 0.25 1 1346 590 162 ILE CG1 C 28.029 0.25 1 1347 590 162 ILE CG2 C 17.370 0.25 1 1348 590 162 ILE CD1 C 12.900 0.25 1 1349 590 162 ILE N N 122.655 0.25 1 1350 591 163 ALA H H 8.086 0.04 1 1351 591 163 ALA HA H 4.181 0.04 1 1352 591 163 ALA HB H 1.387 0.04 1 1353 591 163 ALA C C 178.466 0.25 1 1354 591 163 ALA CA C 53.502 0.25 1 1355 591 163 ALA CB C 18.788 0.25 1 1356 591 163 ALA N N 125.105 0.25 1 1357 592 164 SER H H 7.957 0.04 1 1358 592 164 SER HA H 4.298 0.04 1 1359 592 164 SER HB2 H 3.790 0.04 1 1360 592 164 SER HB3 H 3.840 0.04 1 1361 592 164 SER C C 174.886 0.25 1 1362 592 164 SER CA C 58.939 0.25 1 1363 592 164 SER CB C 63.738 0.25 1 1364 592 164 SER N N 113.591 0.25 1 1365 593 165 LEU H H 7.905 0.04 1 1366 593 165 LEU CA C 55.720 0.25 1 1367 593 165 LEU CB C 42.107 0.25 1 1368 593 165 LEU N N 122.972 0.25 1 stop_ save_