data_19213 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Blue Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain ; _BMRB_accession_number 19213 _BMRB_flat_file_name bmr19213.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 'Pb 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" 803 "13C chemical shifts" 645 "15N chemical shifts" 171 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_ loop_ _Related_BMRB_accession_number _Relationship 19214 'Green Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain' 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 TePixJ _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TePixJ $TePixJ PHYCOVIOLOBILIN $entity_PVN 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_TePixJ _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TePixJ _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 19214 entity_1 100.00 165 100.00 100.00 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_PVN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common PHYCOVIOLOBILIN _BMRB_code PVN _PDB_code PVN _Molecular_mass 588.694 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C31 C31 C . 0 . ? C32 C32 C . 0 . ? C3 C3 C . 0 . ? C2 C2 C . 0 . ? C21 C21 C . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? N1 N1 N . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C41 C41 C . 0 . ? N2 N2 N . 0 . ? C9 C9 C . 0 . ? C8 C8 C . 0 . ? C51 C51 C . 0 . ? C52 C52 C . 0 . ? C53 C53 C . 0 . ? O54 O54 O . 0 . ? O55 O55 O . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C61 C61 C . 0 . ? C62 C62 C . 0 . ? C63 C63 C . 0 . ? O64 O64 O . 0 . ? O65 O65 O . 0 . ? N3 N3 N . 0 . ? C14 C14 C . 0 . ? C13 C13 C . 0 . ? C71 C71 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C81 C81 C . 0 . ? N4 N4 N . 0 . ? C19 C19 C . 0 . ? O19 O19 O . 0 . ? C18 C18 C . 0 . ? C91 C91 C . 0 . ? C92 C92 C . 0 . ? H321 H321 H . 0 . ? H322 H322 H . 0 . ? HC4 HC4 H . 0 . ? H211 H211 H . 0 . ? H212 H212 H . 0 . ? H213 H213 H . 0 . ? HN1 HN1 H . 0 . ? H5C1 H5C1 H . 0 . ? H5C2 H5C2 H . 0 . ? HN2 HN2 H . 0 . ? H411 H411 H . 0 . ? H412 H412 H . 0 . ? H413 H413 H . 0 . ? H101 H101 H . 0 . ? H511 H511 H . 0 . ? H512 H512 H . 0 . ? H521 H521 H . 0 . ? H522 H522 H . 0 . ? H54 H54 H . 0 . ? H611 H611 H . 0 . ? H612 H612 H . 0 . ? H621 H621 H . 0 . ? H622 H622 H . 0 . ? H65 H65 H . 0 . ? H151 H151 H . 0 . ? H711 H711 H . 0 . ? H712 H712 H . 0 . ? H713 H713 H . 0 . ? HN4 HN4 H . 0 . ? H811 H811 H . 0 . ? H812 H812 H . 0 . ? H813 H813 H . 0 . ? H911 H911 H . 0 . ? H912 H912 H . 0 . ? H921 H921 H . 0 . ? H922 H922 H . 0 . ? H923 H923 H . 0 . ? H31 H31 H . 0 . ? H323 H323 H . 0 . ? HXT HXT 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 SING C31 C32 ? ? SING C31 C3 ? ? SING C31 H31 ? ? SING C31 HXT ? ? SING C32 H323 ? ? SING C32 H321 ? ? SING C32 H322 ? ? SING C3 C4 ? ? DOUB C3 C2 ? ? SING C2 C21 ? ? SING C2 C1 ? ? SING C21 H212 ? ? SING C21 H213 ? ? SING C21 H211 ? ? DOUB C1 O1 ? ? SING C1 N1 ? ? SING N1 C4 ? ? SING N1 HN1 ? ? SING C4 C5 ? ? SING C4 HC4 ? ? SING C5 C6 ? ? SING C5 H5C2 ? ? SING C5 H5C1 ? ? DOUB C6 C7 ? ? SING C6 N2 ? ? SING C7 C41 ? ? SING C7 C8 ? ? SING C41 H411 ? ? SING C41 H412 ? ? SING C41 H413 ? ? SING N2 C9 ? ? SING N2 HN2 ? ? DOUB C9 C8 ? ? SING C9 C10 ? ? SING C8 C51 ? ? SING C51 C52 ? ? SING C51 H511 ? ? SING C51 H512 ? ? SING C52 C53 ? ? SING C52 H522 ? ? SING C52 H521 ? ? SING C53 O54 ? ? DOUB C53 O55 ? ? SING O54 H54 ? ? DOUB C10 C11 ? ? SING C10 H101 ? ? SING C11 C12 ? ? SING C11 N3 ? ? SING C12 C61 ? ? DOUB C12 C13 ? ? SING C61 H611 ? ? SING C61 H612 ? ? SING C61 C62 ? ? SING C62 H621 ? ? SING C62 H622 ? ? SING C62 C63 ? ? SING C63 O65 ? ? DOUB C63 O64 ? ? SING O65 H65 ? ? DOUB N3 C14 ? ? SING C14 C13 ? ? SING C14 C15 ? ? SING C13 C71 ? ? SING C71 H713 ? ? SING C71 H711 ? ? SING C71 H712 ? ? SING C15 H151 ? ? DOUB C15 C16 ? ? SING C16 C17 ? ? SING C16 N4 ? ? SING C17 C81 ? ? DOUB C17 C18 ? ? SING C81 H811 ? ? SING C81 H812 ? ? SING C81 H813 ? ? SING N4 HN4 ? ? SING N4 C19 ? ? DOUB C19 O19 ? ? SING C19 C18 ? ? SING C18 C91 ? ? SING C91 H911 ? ? SING C91 H912 ? ? SING C91 C92 ? ? SING C92 H921 ? ? SING C92 H922 ? ? SING C92 H923 ? ? stop_ _Mol_thiol_state 'not present' _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 $TePixJ Cyanobacteria 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 $TePixJ 'recombinant technology' . Escherichia coli . pBAD-Myc-His $entity_PVN '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 Pb' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TePixJ . mM 0.7 1.3 '[U-13C; U-15N]' $entity_PVN . mM 0.7 1.3 '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 Pb' 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 1 429 1 MET HA H 4.824 0.04 1 2 429 1 MET HB2 H 1.880 0.04 1 3 429 1 MET HB3 H 1.793 0.04 1 4 429 1 MET HG2 H 2.071 0.04 1 5 429 1 MET HG3 H 2.141 0.04 1 6 429 1 MET C C 173.374 0.25 1 7 429 1 MET CA C 54.314 0.25 1 8 429 1 MET CB C 32.536 0.25 1 9 429 1 MET CG C 34.148 0.25 1 10 430 2 ALA H H 8.772 0.04 1 11 430 2 ALA CA C 51.092 0.25 1 12 430 2 ALA CB C 21.474 0.25 1 13 430 2 ALA N N 132.375 0.25 1 14 431 3 ALA H H 8.180 0.04 1 15 431 3 ALA HA H 4.346 0.04 1 16 431 3 ALA HB H 1.341 0.04 1 17 431 3 ALA C C 177.537 0.25 1 18 431 3 ALA CA C 52.341 0.25 1 19 431 3 ALA CB C 19.209 0.25 1 20 431 3 ALA N N 117.710 0.25 1 21 432 4 VAL H H 8.191 0.04 1 22 432 4 VAL HA H 4.045 0.04 1 23 432 4 VAL HB H 1.954 0.04 1 24 432 4 VAL HG1 H 0.900 0.04 1 25 432 4 VAL HG2 H 0.860 0.04 1 26 432 4 VAL C C 175.692 0.25 1 27 432 4 VAL CA C 62.172 0.25 1 28 432 4 VAL CB C 33.029 0.25 1 29 432 4 VAL CG1 C 21.102 0.25 1 30 432 4 VAL N N 120.378 0.25 1 31 433 5 GLN H H 8.525 0.04 1 32 433 5 GLN HE21 H 7.520 0.04 1 33 433 5 GLN HE22 H 6.860 0.04 1 34 433 5 GLN CA C 54.855 0.25 1 35 433 5 GLN CB C 29.530 0.25 1 36 433 5 GLN CG C 33.500 0.25 1 37 433 5 GLN N N 124.398 0.25 1 38 433 5 GLN NE2 N 112.700 0.25 1 39 435 7 SER HA H 4.074 0.04 1 40 435 7 SER HB2 H 3.793 0.04 1 41 435 7 SER HB3 H 3.964 0.04 1 42 435 7 SER C C 178.865 0.25 1 43 435 7 SER CA C 60.402 0.25 1 44 435 7 SER CB C 62.858 0.25 1 45 436 8 GLU H H 7.847 0.04 1 46 436 8 GLU HA H 4.309 0.04 1 47 436 8 GLU HB2 H 1.990 0.04 1 48 436 8 GLU HB3 H 2.154 0.04 1 49 436 8 GLU HG3 H 2.199 0.04 1 50 436 8 GLU C C 176.654 0.25 1 51 436 8 GLU CA C 56.095 0.25 1 52 436 8 GLU CB C 30.278 0.25 1 53 436 8 GLU CG C 36.710 0.25 1 54 436 8 GLU N N 119.935 0.25 1 55 437 9 LEU H H 7.349 0.04 1 56 437 9 LEU CA C 55.492 0.25 1 57 437 9 LEU CB C 43.512 0.25 1 58 437 9 LEU N N 120.616 0.25 1 59 440 12 ARG HA H 3.274 0.04 1 60 440 12 ARG HB2 H 1.394 0.04 1 61 440 12 ARG HB3 H 1.526 0.04 1 62 440 12 ARG HG2 H 1.081 0.04 1 63 440 12 ARG HG3 H 1.330 0.04 1 64 440 12 ARG HD3 H 3.130 0.04 1 65 440 12 ARG HE H 7.540 0.04 1 66 440 12 ARG C C 175.983 0.25 1 67 440 12 ARG CA C 60.018 0.25 1 68 440 12 ARG CB C 30.268 0.25 1 69 440 12 ARG CG C 28.041 0.25 1 70 440 12 ARG CD C 43.500 0.25 1 71 441 13 GLN H H 8.079 0.04 1 72 441 13 GLN HA H 3.804 0.04 1 73 441 13 GLN HB2 H 2.041 0.04 1 74 441 13 GLN HB3 H 2.252 0.04 1 75 441 13 GLN HG2 H 2.510 0.04 1 76 441 13 GLN HG3 H 2.560 0.04 1 77 441 13 GLN HE21 H 8.260 0.04 1 78 441 13 GLN HE22 H 7.110 0.04 1 79 441 13 GLN C C 178.030 0.25 1 80 441 13 GLN CA C 58.764 0.25 1 81 441 13 GLN CB C 27.434 0.25 1 82 441 13 GLN CG C 33.207 0.25 1 83 441 13 GLN N N 117.801 0.25 1 84 441 13 GLN NE2 N 112.600 0.25 1 85 442 14 ALA H H 7.914 0.04 1 86 442 14 ALA HA H 4.123 0.04 1 87 442 14 ALA HB H 1.505 0.04 1 88 442 14 ALA C C 181.577 0.25 1 89 442 14 ALA CA C 54.940 0.25 1 90 442 14 ALA CB C 18.705 0.25 1 91 442 14 ALA N N 120.194 0.25 1 92 443 15 ILE H H 7.663 0.04 1 93 443 15 ILE HA H 3.445 0.04 1 94 443 15 ILE HB H 1.793 0.04 1 95 443 15 ILE HG12 H 0.919 0.04 1 96 443 15 ILE HG13 H 1.205 0.04 1 97 443 15 ILE HG2 H 0.618 0.04 1 98 443 15 ILE HD1 H 0.540 0.04 1 99 443 15 ILE C C 177.663 0.25 1 100 443 15 ILE CA C 65.907 0.25 1 101 443 15 ILE CB C 37.169 0.25 1 102 443 15 ILE CG1 C 30.840 0.25 1 103 443 15 ILE CG2 C 16.409 0.25 1 104 443 15 ILE CD1 C 14.700 0.25 1 105 443 15 ILE N N 120.712 0.25 1 106 444 16 PHE H H 8.077 0.04 1 107 444 16 PHE HA H 4.311 0.04 1 108 444 16 PHE HB2 H 2.991 0.04 1 109 444 16 PHE HB3 H 3.313 0.04 1 110 444 16 PHE HD2 H 6.950 0.04 1 111 444 16 PHE HE2 H 7.090 0.04 1 112 444 16 PHE HZ H 7.110 0.04 1 113 444 16 PHE C C 178.273 0.25 1 114 444 16 PHE CA C 58.956 0.25 1 115 444 16 PHE CB C 38.154 0.25 1 116 444 16 PHE CD2 C 129.600 0.25 1 117 444 16 PHE CE2 C 131.500 0.25 1 118 444 16 PHE CZ C 129.800 0.25 1 119 444 16 PHE N N 119.033 0.25 1 120 445 17 GLU H H 8.746 0.04 1 121 445 17 GLU HA H 4.399 0.04 1 122 445 17 GLU HB2 H 2.170 0.04 1 123 445 17 GLU HB3 H 1.961 0.04 1 124 445 17 GLU HG2 H 2.560 0.04 1 125 445 17 GLU HG3 H 2.780 0.04 1 126 445 17 GLU C C 179.822 0.25 1 127 445 17 GLU CA C 58.472 0.25 1 128 445 17 GLU CB C 28.797 0.25 1 129 445 17 GLU CG C 35.503 0.25 1 130 445 17 GLU N N 115.469 0.25 1 131 446 18 THR H H 8.139 0.04 1 132 446 18 THR HA H 4.067 0.04 1 133 446 18 THR HB H 4.136 0.04 1 134 446 18 THR HG2 H 1.168 0.04 1 135 446 18 THR C C 175.802 0.25 1 136 446 18 THR CA C 66.959 0.25 1 137 446 18 THR CB C 68.289 0.25 1 138 446 18 THR CG2 C 21.727 0.25 1 139 446 18 THR N N 117.987 0.25 1 140 447 19 LEU H H 8.608 0.04 1 141 447 19 LEU HA H 3.874 0.04 1 142 447 19 LEU HB2 H 1.409 0.04 1 143 447 19 LEU HB3 H 1.902 0.04 1 144 447 19 LEU HG H 1.770 0.04 1 145 447 19 LEU HD1 H 0.760 0.04 1 146 447 19 LEU HD2 H 0.730 0.04 1 147 447 19 LEU C C 179.377 0.25 1 148 447 19 LEU CA C 58.858 0.25 1 149 447 19 LEU CB C 42.709 0.25 1 150 447 19 LEU CG C 26.500 0.25 1 151 447 19 LEU CD1 C 25.788 0.25 1 152 447 19 LEU CD2 C 24.830 0.25 1 153 447 19 LEU N N 122.061 0.25 1 154 448 20 VAL H H 7.783 0.04 1 155 448 20 VAL HA H 3.973 0.04 1 156 448 20 VAL HB H 1.999 0.04 1 157 448 20 VAL HG1 H 0.812 0.04 1 158 448 20 VAL HG2 H 1.052 0.04 1 159 448 20 VAL C C 177.414 0.25 1 160 448 20 VAL CA C 64.624 0.25 1 161 448 20 VAL CB C 29.895 0.25 1 162 448 20 VAL CG1 C 24.798 0.25 1 163 448 20 VAL CG2 C 20.496 0.25 1 164 448 20 VAL N N 108.293 0.25 1 165 449 21 ALA H H 7.477 0.04 1 166 449 21 ALA HA H 4.291 0.04 1 167 449 21 ALA HB H 1.601 0.04 1 168 449 21 ALA C C 181.177 0.25 1 169 449 21 ALA CA C 55.144 0.25 1 170 449 21 ALA CB C 18.558 0.25 1 171 449 21 ALA N N 124.901 0.25 1 172 450 22 LYS H H 8.835 0.04 1 173 450 22 LYS HA H 4.194 0.04 1 174 450 22 LYS HB2 H 1.864 0.04 1 175 450 22 LYS HB3 H 2.017 0.04 1 176 450 22 LYS HG3 H 1.612 0.04 1 177 450 22 LYS HD3 H 1.670 0.04 1 178 450 22 LYS HE2 H 2.920 0.04 1 179 450 22 LYS HE3 H 2.980 0.04 1 180 450 22 LYS C C 180.027 0.25 1 181 450 22 LYS CA C 58.274 0.25 1 182 450 22 LYS CB C 31.673 0.25 1 183 450 22 LYS CG C 25.218 0.25 1 184 450 22 LYS CD C 28.501 0.25 1 185 450 22 LYS CE C 42.072 0.25 1 186 450 22 LYS N N 118.438 0.25 1 187 451 23 GLY H H 8.765 0.04 1 188 451 23 GLY HA2 H 3.617 0.04 1 189 451 23 GLY HA3 H 3.813 0.04 1 190 451 23 GLY C C 173.706 0.25 1 191 451 23 GLY CA C 47.992 0.25 1 192 451 23 GLY N N 108.035 0.25 1 193 452 24 ARG H H 8.272 0.04 1 194 452 24 ARG HA H 4.080 0.04 1 195 452 24 ARG HB2 H 1.510 0.04 1 196 452 24 ARG HB3 H 1.640 0.04 1 197 452 24 ARG HG2 H 1.750 0.04 1 198 452 24 ARG HG3 H 2.170 0.04 1 199 452 24 ARG HD3 H 2.880 0.04 1 200 452 24 ARG HE H 7.400 0.04 1 201 452 24 ARG C C 178.863 0.25 1 202 452 24 ARG CA C 60.572 0.25 1 203 452 24 ARG CB C 30.407 0.25 1 204 452 24 ARG CG C 30.400 0.25 1 205 452 24 ARG CD C 43.740 0.25 1 206 452 24 ARG N N 122.460 0.25 1 207 452 24 ARG NE N 82.800 0.25 1 208 453 25 GLU H H 7.894 0.04 1 209 453 25 GLU HA H 4.096 0.04 1 210 453 25 GLU HB3 H 2.191 0.04 1 211 453 25 GLU HG2 H 2.230 0.04 1 212 453 25 GLU HG3 H 2.400 0.04 1 213 453 25 GLU C C 178.778 0.25 1 214 453 25 GLU CA C 59.023 0.25 1 215 453 25 GLU CB C 30.241 0.25 1 216 453 25 GLU CG C 36.218 0.25 1 217 453 25 GLU N N 119.784 0.25 1 218 454 26 LEU H H 8.328 0.04 1 219 454 26 LEU HA H 4.171 0.04 1 220 454 26 LEU HB2 H 1.743 0.04 1 221 454 26 LEU HB3 H 1.915 0.04 1 222 454 26 LEU HG H 1.840 0.04 1 223 454 26 LEU HD1 H 0.965 0.04 1 224 454 26 LEU HD2 H 0.910 0.04 1 225 454 26 LEU C C 178.457 0.25 1 226 454 26 LEU CA C 57.869 0.25 1 227 454 26 LEU CB C 42.922 0.25 1 228 454 26 LEU CG C 26.897 0.25 1 229 454 26 LEU CD1 C 25.343 0.25 1 230 454 26 LEU CD2 C 24.222 0.25 1 231 454 26 LEU N N 119.313 0.25 1 232 455 27 LEU H H 7.424 0.04 1 233 455 27 LEU HA H 4.380 0.04 1 234 455 27 LEU HB2 H 1.357 0.04 1 235 455 27 LEU HB3 H 1.825 0.04 1 236 455 27 LEU HG H -0.042 0.04 1 237 455 27 LEU HD1 H 0.693 0.04 1 238 455 27 LEU C C 176.795 0.25 1 239 455 27 LEU CA C 54.643 0.25 1 240 455 27 LEU CB C 43.897 0.25 1 241 455 27 LEU CG C 26.861 0.25 1 242 455 27 LEU CD1 C 22.510 0.25 1 243 455 27 LEU N N 113.192 0.25 1 244 456 28 ALA H H 8.573 0.04 1 245 456 28 ALA HA H 4.244 0.04 1 246 456 28 ALA HB H 1.462 0.04 1 247 456 28 ALA C C 177.051 0.25 1 248 456 28 ALA CA C 52.975 0.25 1 249 456 28 ALA CB C 16.514 0.25 1 250 456 28 ALA N N 124.175 0.25 1 251 457 29 CYS H H 7.000 0.04 1 252 457 29 CYS HA H 5.592 0.04 1 253 457 29 CYS HB2 H 2.564 0.04 1 254 457 29 CYS HB3 H 3.714 0.04 1 255 457 29 CYS C C 172.935 0.25 1 256 457 29 CYS CA C 54.876 0.25 1 257 457 29 CYS CB C 29.887 0.25 1 258 457 29 CYS N N 111.282 0.25 1 259 458 30 ASP H H 7.265 0.04 1 260 458 30 ASP HA H 4.834 0.04 1 261 458 30 ASP HB2 H 1.892 0.04 1 262 458 30 ASP HB3 H 2.062 0.04 1 263 458 30 ASP C C 175.463 0.25 1 264 458 30 ASP CA C 57.972 0.25 1 265 458 30 ASP CB C 42.753 0.25 1 266 458 30 ASP N N 117.373 0.25 1 267 459 31 ARG H H 8.099 0.04 1 268 459 31 ARG HA H 5.511 0.04 1 269 459 31 ARG HB2 H 1.836 0.04 1 270 459 31 ARG HB3 H 1.948 0.04 1 271 459 31 ARG HG2 H 1.360 0.04 1 272 459 31 ARG HG3 H 1.860 0.04 1 273 459 31 ARG HD3 H 3.700 0.04 1 274 459 31 ARG HE H 6.360 0.04 1 275 459 31 ARG HH11 H 8.880 0.04 1 276 459 31 ARG HH12 H 7.000 0.04 1 277 459 31 ARG HH21 H 9.540 0.04 1 278 459 31 ARG HH22 H 5.640 0.04 1 279 459 31 ARG C C 174.652 0.25 1 280 459 31 ARG CA C 55.593 0.25 1 281 459 31 ARG CB C 35.294 0.25 1 282 459 31 ARG CG C 30.144 0.25 1 283 459 31 ARG CD C 43.700 0.25 1 284 459 31 ARG N N 117.328 0.25 1 285 459 31 ARG NE N 83.200 0.25 1 286 459 31 ARG NH1 N 73.200 0.25 1 287 459 31 ARG NH2 N 74.100 0.25 1 288 460 32 VAL H H 9.215 0.04 1 289 460 32 VAL HA H 5.182 0.04 1 290 460 32 VAL HB H 2.129 0.04 1 291 460 32 VAL HG1 H 1.047 0.04 1 292 460 32 VAL HG2 H 0.761 0.04 1 293 460 32 VAL C C 174.538 0.25 1 294 460 32 VAL CA C 61.684 0.25 1 295 460 32 VAL CB C 35.157 0.25 1 296 460 32 VAL CG1 C 22.800 0.25 1 297 460 32 VAL CG2 C 23.300 0.25 1 298 460 32 VAL N N 127.029 0.25 1 299 461 33 ILE H H 9.051 0.04 1 300 461 33 ILE HA H 5.269 0.04 1 301 461 33 ILE HB H 1.925 0.04 1 302 461 33 ILE HG13 H 1.257 0.04 1 303 461 33 ILE HG2 H 0.765 0.04 1 304 461 33 ILE HD1 H 0.580 0.04 1 305 461 33 ILE C C 174.436 0.25 1 306 461 33 ILE CA C 58.897 0.25 1 307 461 33 ILE CB C 41.973 0.25 1 308 461 33 ILE CG1 C 25.565 0.25 1 309 461 33 ILE CG2 C 18.590 0.25 1 310 461 33 ILE CD1 C 13.910 0.25 1 311 461 33 ILE N N 118.191 0.25 1 312 462 34 VAL H H 7.266 0.04 1 313 462 34 VAL HA H 4.218 0.04 1 314 462 34 VAL HB H 1.413 0.04 1 315 462 34 VAL HG1 H 0.726 0.04 1 316 462 34 VAL HG2 H 0.304 0.04 1 317 462 34 VAL C C 173.040 0.25 1 318 462 34 VAL CA C 62.382 0.25 1 319 462 34 VAL CB C 33.016 0.25 1 320 462 34 VAL CG1 C 21.364 0.25 1 321 462 34 VAL CG2 C 21.000 0.25 1 322 462 34 VAL N N 119.036 0.25 1 323 463 35 TYR H H 8.796 0.04 1 324 463 35 TYR HA H 4.634 0.04 1 325 463 35 TYR HB2 H 2.067 0.04 1 326 463 35 TYR HB3 H 2.649 0.04 1 327 463 35 TYR HD1 H 6.130 0.04 1 328 463 35 TYR HE1 H 6.370 0.04 1 329 463 35 TYR C C 172.062 0.25 1 330 463 35 TYR CA C 54.971 0.25 1 331 463 35 TYR CB C 40.572 0.25 1 332 463 35 TYR CD1 C 132.200 0.25 1 333 463 35 TYR CE1 C 118.000 0.25 1 334 463 35 TYR N N 131.813 0.25 1 335 464 36 ALA H H 8.423 0.04 1 336 464 36 ALA HA H 3.810 0.04 1 337 464 36 ALA HB H 0.786 0.04 1 338 464 36 ALA C C 176.605 0.25 1 339 464 36 ALA CA C 50.931 0.25 1 340 464 36 ALA CB C 21.945 0.25 1 341 464 36 ALA N N 127.309 0.25 1 342 465 37 PHE H H 7.687 0.04 1 343 465 37 PHE HA H 4.635 0.04 1 344 465 37 PHE HB2 H 2.482 0.04 1 345 465 37 PHE HB3 H 2.970 0.04 1 346 465 37 PHE HD2 H 6.510 0.04 1 347 465 37 PHE HE2 H 6.630 0.04 1 348 465 37 PHE HZ H 5.690 0.04 1 349 465 37 PHE C C 176.576 0.25 1 350 465 37 PHE CA C 57.430 0.25 1 351 465 37 PHE CB C 41.434 0.25 1 352 465 37 PHE CD2 C 130.100 0.25 1 353 465 37 PHE CE2 C 131.300 0.25 1 354 465 37 PHE CZ C 128.200 0.25 1 355 465 37 PHE N N 119.567 0.25 1 356 466 38 ASP H H 7.829 0.04 1 357 466 38 ASP HA H 4.699 0.04 1 358 466 38 ASP HB2 H 2.638 0.04 1 359 466 38 ASP HB3 H 3.200 0.04 1 360 466 38 ASP C C 178.481 0.25 1 361 466 38 ASP CA C 51.837 0.25 1 362 466 38 ASP CB C 40.950 0.25 1 363 466 38 ASP N N 120.914 0.25 1 364 467 39 ASP H H 8.138 0.04 1 365 467 39 ASP HA H 4.018 0.04 1 366 467 39 ASP HB2 H 2.520 0.04 1 367 467 39 ASP HB3 H 2.570 0.04 1 368 467 39 ASP C C 176.022 0.25 1 369 467 39 ASP CA C 56.052 0.25 1 370 467 39 ASP CB C 40.144 0.25 1 371 467 39 ASP N N 115.889 0.25 1 372 468 40 ASN H H 8.076 0.04 1 373 468 40 ASN HA H 4.954 0.04 1 374 468 40 ASN HB2 H 2.526 0.04 1 375 468 40 ASN HB3 H 2.869 0.04 1 376 468 40 ASN HD21 H 7.770 0.04 1 377 468 40 ASN HD22 H 6.810 0.04 1 378 468 40 ASN C C 174.155 0.25 1 379 468 40 ASN CA C 52.052 0.25 1 380 468 40 ASN CB C 39.733 0.25 1 381 468 40 ASN N N 116.903 0.25 1 382 468 40 ASN ND2 N 113.800 0.25 1 383 469 41 TYR H H 7.785 0.04 1 384 469 41 TYR HA H 3.249 0.04 1 385 469 41 TYR HB2 H 2.513 0.04 1 386 469 41 TYR HB3 H 2.752 0.04 1 387 469 41 TYR HD1 H 5.950 0.04 1 388 469 41 TYR HE1 H 6.620 0.04 1 389 469 41 TYR C C 175.377 0.25 1 390 469 41 TYR CA C 61.891 0.25 1 391 469 41 TYR CB C 34.352 0.25 1 392 469 41 TYR CD1 C 131.900 0.25 1 393 469 41 TYR CE1 C 118.500 0.25 1 394 469 41 TYR N N 112.788 0.25 1 395 470 42 VAL H H 8.666 0.04 1 396 470 42 VAL HA H 4.010 0.04 1 397 470 42 VAL HB H 2.240 0.04 1 398 470 42 VAL HG1 H 0.870 0.04 1 399 470 42 VAL HG2 H 0.690 0.04 1 400 470 42 VAL CA C 63.699 0.25 1 401 470 42 VAL CB C 30.721 0.25 1 402 470 42 VAL CG1 C 21.100 0.25 1 403 470 42 VAL N N 122.718 0.25 1 404 471 43 GLY HA3 H 4.191 0.04 1 405 471 43 GLY C C 170.959 0.25 1 406 471 43 GLY CA C 43.674 0.25 1 407 472 44 THR H H 8.150 0.04 1 408 472 44 THR HA H 4.931 0.04 1 409 472 44 THR HB H 3.520 0.04 1 410 472 44 THR HG2 H 0.820 0.04 1 411 472 44 THR C C 174.282 0.25 1 412 472 44 THR CA C 61.142 0.25 1 413 472 44 THR CB C 70.941 0.25 1 414 472 44 THR CG2 C 20.627 0.25 1 415 472 44 THR N N 118.003 0.25 1 416 473 45 VAL H H 8.740 0.04 1 417 473 45 VAL HA H 4.552 0.04 1 418 473 45 VAL HB H 2.515 0.04 1 419 473 45 VAL HG1 H 0.763 0.04 1 420 473 45 VAL HG2 H 0.968 0.04 1 421 473 45 VAL C C 175.472 0.25 1 422 473 45 VAL CA C 62.066 0.25 1 423 473 45 VAL CB C 29.572 0.25 1 424 473 45 VAL CG1 C 22.325 0.25 1 425 473 45 VAL CG2 C 20.864 0.25 1 426 473 45 VAL N N 126.802 0.25 1 427 474 46 VAL H H 7.753 0.04 1 428 474 46 VAL HA H 4.394 0.04 1 429 474 46 VAL HB H 2.285 0.04 1 430 474 46 VAL HG1 H 0.745 0.04 1 431 474 46 VAL HG2 H 0.264 0.04 1 432 474 46 VAL C C 175.653 0.25 1 433 474 46 VAL CA C 62.168 0.25 1 434 474 46 VAL CB C 32.041 0.25 1 435 474 46 VAL CG1 C 22.063 0.25 1 436 474 46 VAL CG2 C 19.229 0.25 1 437 474 46 VAL N N 122.729 0.25 1 438 475 47 ALA H H 7.366 0.04 1 439 475 47 ALA HA H 4.493 0.04 1 440 475 47 ALA HB H 1.228 0.04 1 441 475 47 ALA C C 174.317 0.25 1 442 475 47 ALA CA C 52.144 0.25 1 443 475 47 ALA CB C 23.434 0.25 1 444 475 47 ALA N N 117.768 0.25 1 445 476 48 GLU H H 8.455 0.04 1 446 476 48 GLU HA H 5.143 0.04 1 447 476 48 GLU HB2 H 1.630 0.04 1 448 476 48 GLU HB3 H 1.970 0.04 1 449 476 48 GLU HG3 H 1.857 0.04 1 450 476 48 GLU C C 173.452 0.25 1 451 476 48 GLU CA C 55.216 0.25 1 452 476 48 GLU CB C 36.288 0.25 1 453 476 48 GLU CG C 37.512 0.25 1 454 476 48 GLU N N 122.294 0.25 1 455 477 49 SER H H 8.867 0.04 1 456 477 49 SER HA H 4.910 0.04 1 457 477 49 SER HB3 H 3.592 0.04 1 458 477 49 SER C C 173.417 0.25 1 459 477 49 SER CA C 56.576 0.25 1 460 477 49 SER CB C 63.836 0.25 1 461 477 49 SER N N 121.014 0.25 1 462 478 50 VAL H H 9.143 0.04 1 463 478 50 VAL HA H 5.361 0.04 1 464 478 50 VAL HB H 2.077 0.04 1 465 478 50 VAL HG1 H 1.402 0.04 1 466 478 50 VAL HG2 H 1.000 0.04 1 467 478 50 VAL C C 172.729 0.25 1 468 478 50 VAL CA C 58.657 0.25 1 469 478 50 VAL CB C 35.971 0.25 1 470 478 50 VAL CG1 C 21.585 0.25 1 471 478 50 VAL CG2 C 18.830 0.25 1 472 478 50 VAL N N 128.791 0.25 1 473 479 51 ALA H H 8.632 0.04 1 474 479 51 ALA HA H 4.373 0.04 1 475 479 51 ALA HB H 1.837 0.04 1 476 479 51 ALA C C 176.732 0.25 1 477 479 51 ALA CA C 52.231 0.25 1 478 479 51 ALA CB C 20.053 0.25 1 479 479 51 ALA N N 129.671 0.25 1 480 480 52 GLU H H 8.558 0.04 1 481 480 52 GLU HA H 4.028 0.04 1 482 480 52 GLU HB2 H 1.929 0.04 1 483 480 52 GLU HB3 H 1.996 0.04 1 484 480 52 GLU HG3 H 2.295 0.04 1 485 480 52 GLU C C 177.151 0.25 1 486 480 52 GLU CA C 58.179 0.25 1 487 480 52 GLU CB C 29.797 0.25 1 488 480 52 GLU CG C 36.265 0.25 1 489 480 52 GLU N N 120.434 0.25 1 490 481 53 GLY H H 8.539 0.04 1 491 481 53 GLY HA2 H 3.401 0.04 1 492 481 53 GLY HA3 H 3.860 0.04 1 493 481 53 GLY C C 174.073 0.25 1 494 481 53 GLY CA C 44.681 0.25 1 495 481 53 GLY N N 110.914 0.25 1 496 482 54 TRP H H 7.009 0.04 1 497 482 54 TRP HA H 5.290 0.04 1 498 482 54 TRP HB2 H 2.910 0.04 1 499 482 54 TRP HB3 H 3.120 0.04 1 500 482 54 TRP HD1 H 7.140 0.04 1 501 482 54 TRP HE1 H 9.910 0.04 1 502 482 54 TRP HE3 H 7.410 0.04 1 503 482 54 TRP HZ2 H 7.430 0.04 1 504 482 54 TRP HZ3 H 7.020 0.04 1 505 482 54 TRP HH2 H 7.100 0.04 1 506 482 54 TRP CA C 53.659 0.25 1 507 482 54 TRP CB C 29.487 0.25 1 508 482 54 TRP CD1 C 128.300 0.25 1 509 482 54 TRP CE3 C 120.100 0.25 1 510 482 54 TRP CZ2 C 115.100 0.25 1 511 482 54 TRP CZ3 C 122.000 0.25 1 512 482 54 TRP CH2 C 124.500 0.25 1 513 482 54 TRP N N 119.508 0.25 1 514 482 54 TRP NE1 N 127.700 0.25 1 515 483 55 PRO HA H 4.426 0.04 1 516 483 55 PRO HB2 H 1.722 0.04 1 517 483 55 PRO HB3 H 2.518 0.04 1 518 483 55 PRO HG2 H 2.210 0.04 1 519 483 55 PRO HG3 H 2.300 0.04 1 520 483 55 PRO C C 175.722 0.25 1 521 483 55 PRO CA C 63.259 0.25 1 522 483 55 PRO CB C 33.238 0.25 1 523 483 55 PRO CG C 28.171 0.25 1 524 484 56 GLN H H 8.646 0.04 1 525 484 56 GLN HA H 4.936 0.04 1 526 484 56 GLN HB2 H 2.020 0.04 1 527 484 56 GLN HB3 H 2.170 0.04 1 528 484 56 GLN HG2 H 2.313 0.04 1 529 484 56 GLN HG3 H 2.480 0.04 1 530 484 56 GLN HE21 H 7.700 0.04 1 531 484 56 GLN HE22 H 6.890 0.04 1 532 484 56 GLN C C 176.405 0.25 1 533 484 56 GLN CA C 55.688 0.25 1 534 484 56 GLN CB C 29.565 0.25 1 535 484 56 GLN CG C 34.632 0.25 1 536 484 56 GLN N N 121.488 0.25 1 537 484 56 GLN NE2 N 112.400 0.25 1 538 485 57 ALA H H 11.964 0.04 1 539 485 57 ALA HA H 4.340 0.04 1 540 485 57 ALA HB H 1.293 0.04 1 541 485 57 ALA C C 176.317 0.25 1 542 485 57 ALA CA C 51.289 0.25 1 543 485 57 ALA CB C 20.581 0.25 1 544 485 57 ALA N N 133.617 0.25 1 545 486 58 ARG H H 8.235 0.04 1 546 486 58 ARG HA H 3.300 0.04 1 547 486 58 ARG HB2 H 2.120 0.04 1 548 486 58 ARG HB3 H 1.590 0.04 1 549 486 58 ARG HG2 H 1.170 0.04 1 550 486 58 ARG HG3 H 1.616 0.04 1 551 486 58 ARG HD3 H 3.370 0.04 1 552 486 58 ARG HE H 7.820 0.04 1 553 486 58 ARG C C 175.502 0.25 1 554 486 58 ARG CA C 59.200 0.25 1 555 486 58 ARG CB C 30.648 0.25 1 556 486 58 ARG CG C 27.962 0.25 1 557 486 58 ARG CD C 43.100 0.25 1 558 486 58 ARG N N 119.720 0.25 1 559 486 58 ARG NE N 85.400 0.25 1 560 487 59 ASP H H 9.023 0.04 1 561 487 59 ASP HA H 4.141 0.04 1 562 487 59 ASP HB2 H 2.807 0.04 1 563 487 59 ASP HB3 H 3.175 0.04 1 564 487 59 ASP C C 175.557 0.25 1 565 487 59 ASP CA C 57.148 0.25 1 566 487 59 ASP CB C 39.031 0.25 1 567 487 59 ASP N N 119.936 0.25 1 568 488 60 GLN H H 8.200 0.04 1 569 488 60 GLN HA H 4.147 0.04 1 570 488 60 GLN HB2 H 1.961 0.04 1 571 488 60 GLN HB3 H 2.132 0.04 1 572 488 60 GLN HG2 H 2.297 0.04 1 573 488 60 GLN HG3 H 2.381 0.04 1 574 488 60 GLN HE21 H 7.300 0.04 1 575 488 60 GLN HE22 H 6.500 0.04 1 576 488 60 GLN C C 174.993 0.25 1 577 488 60 GLN CA C 57.475 0.25 1 578 488 60 GLN CB C 28.866 0.25 1 579 488 60 GLN CG C 34.773 0.25 1 580 488 60 GLN N N 119.954 0.25 1 581 488 60 GLN NE2 N 110.100 0.25 1 582 489 61 VAL H H 8.379 0.04 1 583 489 61 VAL HA H 4.593 0.04 1 584 489 61 VAL HB H 1.907 0.04 1 585 489 61 VAL HG1 H 0.953 0.04 1 586 489 61 VAL HG2 H 0.723 0.04 1 587 489 61 VAL C C 177.060 0.25 1 588 489 61 VAL CA C 61.871 0.25 1 589 489 61 VAL CB C 32.575 0.25 1 590 489 61 VAL CG1 C 20.863 0.25 1 591 489 61 VAL CG2 C 20.800 0.25 1 592 489 61 VAL N N 124.202 0.25 1 593 490 62 ILE H H 8.952 0.04 1 594 490 62 ILE HA H 4.433 0.04 1 595 490 62 ILE HB H 1.836 0.04 1 596 490 62 ILE HG12 H 1.500 0.04 1 597 490 62 ILE HG13 H 1.110 0.04 1 598 490 62 ILE HG2 H 0.850 0.04 1 599 490 62 ILE HD1 H 0.810 0.04 1 600 490 62 ILE C C 174.634 0.25 1 601 490 62 ILE CA C 60.464 0.25 1 602 490 62 ILE CB C 41.025 0.25 1 603 490 62 ILE CG1 C 26.762 0.25 1 604 490 62 ILE CG2 C 17.539 0.25 1 605 490 62 ILE CD1 C 13.643 0.25 1 606 490 62 ILE N N 128.772 0.25 1 607 491 63 GLU H H 9.289 0.04 1 608 491 63 GLU HA H 4.598 0.04 1 609 491 63 GLU HG2 H 2.010 0.04 1 610 491 63 GLU HG3 H 2.137 0.04 1 611 491 63 GLU C C 174.015 0.25 1 612 491 63 GLU CA C 55.930 0.25 1 613 491 63 GLU CB C 28.942 0.25 1 614 491 63 GLU CG C 36.481 0.25 1 615 491 63 GLU N N 130.867 0.25 1 616 492 64 ASP H H 9.437 0.04 1 617 492 64 ASP HA H 5.210 0.04 1 618 492 64 ASP HB2 H 2.900 0.04 1 619 492 64 ASP HB3 H 3.450 0.04 1 620 492 64 ASP CA C 50.160 0.25 1 621 492 64 ASP CB C 43.965 0.25 1 622 492 64 ASP N N 130.401 0.25 1 623 493 65 PRO HA H 4.359 0.04 1 624 493 65 PRO HB2 H 1.894 0.04 1 625 493 65 PRO HB3 H 2.239 0.04 1 626 493 65 PRO HG2 H 1.540 0.04 1 627 493 65 PRO HG3 H 1.800 0.04 1 628 493 65 PRO HD2 H 3.610 0.04 1 629 493 65 PRO HD3 H 3.640 0.04 1 630 493 65 PRO C C 176.079 0.25 1 631 493 65 PRO CA C 63.617 0.25 1 632 493 65 PRO CB C 33.300 0.25 1 633 493 65 PRO CG C 26.302 0.25 1 634 493 65 PRO CD C 51.643 0.25 1 635 494 66 CYS H H 8.806 0.04 1 636 494 66 CYS HA H 4.147 0.04 1 637 494 66 CYS HB2 H 2.415 0.04 1 638 494 66 CYS HB3 H 3.198 0.04 1 639 494 66 CYS C C 176.789 0.25 1 640 494 66 CYS CA C 58.195 0.25 1 641 494 66 CYS CB C 33.343 0.25 1 642 494 66 CYS N N 117.251 0.25 1 643 495 67 PHE H H 6.799 0.04 1 644 495 67 PHE HA H 4.328 0.04 1 645 495 67 PHE HB2 H 2.583 0.04 1 646 495 67 PHE HB3 H 3.385 0.04 1 647 495 67 PHE HD2 H 7.000 0.04 1 648 495 67 PHE HE2 H 6.030 0.04 1 649 495 67 PHE HZ H 6.270 0.04 1 650 495 67 PHE C C 176.529 0.25 1 651 495 67 PHE CA C 63.265 0.25 1 652 495 67 PHE CB C 37.239 0.25 1 653 495 67 PHE CD2 C 133.200 0.25 1 654 495 67 PHE CE2 C 129.800 0.25 1 655 495 67 PHE N N 118.785 0.25 1 656 496 68 ARG H H 9.000 0.04 1 657 496 68 ARG HA H 3.692 0.04 1 658 496 68 ARG HB2 H 1.748 0.04 1 659 496 68 ARG HB3 H 1.982 0.04 1 660 496 68 ARG HG2 H 1.470 0.04 1 661 496 68 ARG HG3 H 1.730 0.04 1 662 496 68 ARG HD3 H 3.310 0.04 1 663 496 68 ARG HE H 7.350 0.04 1 664 496 68 ARG C C 178.119 0.25 1 665 496 68 ARG CA C 58.495 0.25 1 666 496 68 ARG CB C 29.942 0.25 1 667 496 68 ARG CG C 26.888 0.25 1 668 496 68 ARG CD C 43.566 0.25 1 669 496 68 ARG N N 118.755 0.25 1 670 496 68 ARG NE N 84.500 0.25 1 671 497 69 GLU H H 7.849 0.04 1 672 497 69 GLU HA H 3.858 0.04 1 673 497 69 GLU HB2 H 1.440 0.04 1 674 497 69 GLU HB3 H 1.349 0.04 1 675 497 69 GLU HG2 H 2.310 0.04 1 676 497 69 GLU HG3 H 2.003 0.04 1 677 497 69 GLU C C 177.981 0.25 1 678 497 69 GLU CA C 58.920 0.25 1 679 497 69 GLU CB C 29.841 0.25 1 680 497 69 GLU CG C 36.805 0.25 1 681 497 69 GLU N N 115.895 0.25 1 682 498 70 HIS H H 7.717 0.04 1 683 498 70 HIS HA H 4.710 0.04 1 684 498 70 HIS HB2 H 1.790 0.04 1 685 498 70 HIS HB3 H 2.430 0.04 1 686 498 70 HIS HE1 H 7.980 0.04 1 687 498 70 HIS CA C 55.904 0.25 1 688 498 70 HIS CB C 30.890 0.25 1 689 498 70 HIS CE1 C 137.100 0.25 1 690 498 70 HIS N N 111.119 0.25 1 691 499 71 TRP HA H 5.476 0.04 1 692 499 71 TRP HB2 H 3.082 0.04 1 693 499 71 TRP HB3 H 4.210 0.04 1 694 499 71 TRP HD1 H 6.940 0.04 1 695 499 71 TRP HE1 H 11.720 0.04 1 696 499 71 TRP HZ2 H 7.300 0.04 1 697 499 71 TRP HH2 H 7.020 0.04 1 698 499 71 TRP C C 176.398 0.25 1 699 499 71 TRP CA C 58.111 0.25 1 700 499 71 TRP CB C 34.294 0.25 1 701 499 71 TRP CD1 C 127.900 0.25 1 702 499 71 TRP CZ2 C 114.900 0.25 1 703 499 71 TRP CH2 C 124.300 0.25 1 704 499 71 TRP NE1 N 131.600 0.25 1 705 500 72 VAL H H 8.071 0.04 1 706 500 72 VAL HA H 3.421 0.04 1 707 500 72 VAL HB H 1.681 0.04 1 708 500 72 VAL HG1 H 0.028 0.04 1 709 500 72 VAL HG2 H 0.575 0.04 1 710 500 72 VAL C C 177.163 0.25 1 711 500 72 VAL CA C 68.043 0.25 1 712 500 72 VAL CB C 31.127 0.25 1 713 500 72 VAL CG1 C 21.076 0.25 1 714 500 72 VAL CG2 C 20.900 0.25 1 715 500 72 VAL N N 121.907 0.25 1 716 501 73 GLU H H 8.188 0.04 1 717 501 73 GLU HA H 4.130 0.04 1 718 501 73 GLU HB2 H 1.888 0.04 1 719 501 73 GLU HB3 H 1.909 0.04 1 720 501 73 GLU HG3 H 2.253 0.04 1 721 501 73 GLU C C 178.314 0.25 1 722 501 73 GLU CA C 58.781 0.25 1 723 501 73 GLU CB C 28.631 0.25 1 724 501 73 GLU CG C 35.661 0.25 1 725 501 73 GLU N N 117.634 0.25 1 726 502 74 ALA H H 7.996 0.04 1 727 502 74 ALA HA H 4.106 0.04 1 728 502 74 ALA HB H 1.686 0.04 1 729 502 74 ALA C C 181.963 0.25 1 730 502 74 ALA CA C 54.953 0.25 1 731 502 74 ALA CB C 18.558 0.25 1 732 502 74 ALA N N 120.830 0.25 1 733 503 75 TYR H H 8.665 0.04 1 734 503 75 TYR HA H 4.362 0.04 1 735 503 75 TYR HB2 H 2.930 0.04 1 736 503 75 TYR HB3 H 2.976 0.04 1 737 503 75 TYR HD1 H 7.220 0.04 1 738 503 75 TYR HE1 H 6.570 0.04 1 739 503 75 TYR C C 178.723 0.25 1 740 503 75 TYR CA C 64.148 0.25 1 741 503 75 TYR CB C 39.126 0.25 1 742 503 75 TYR CD1 C 132.800 0.25 1 743 503 75 TYR CE1 C 119.900 0.25 1 744 503 75 TYR N N 118.238 0.25 1 745 504 76 ARG H H 8.824 0.04 1 746 504 76 ARG HA H 3.905 0.04 1 747 504 76 ARG HB2 H 1.978 0.04 1 748 504 76 ARG HB3 H 2.131 0.04 1 749 504 76 ARG HG3 H 1.570 0.04 1 750 504 76 ARG HD2 H 3.080 0.04 1 751 504 76 ARG HD3 H 3.470 0.04 1 752 504 76 ARG HE H 7.550 0.04 1 753 504 76 ARG C C 177.714 0.25 1 754 504 76 ARG CA C 59.679 0.25 1 755 504 76 ARG CB C 30.495 0.25 1 756 504 76 ARG CG C 28.356 0.25 1 757 504 76 ARG CD C 43.408 0.25 1 758 504 76 ARG N N 121.723 0.25 1 759 504 76 ARG NE N 83.200 0.25 1 760 505 77 GLN H H 7.613 0.04 1 761 505 77 GLN HA H 4.332 0.04 1 762 505 77 GLN HB2 H 1.948 0.04 1 763 505 77 GLN HB3 H 2.464 0.04 1 764 505 77 GLN HG2 H 2.367 0.04 1 765 505 77 GLN HG3 H 2.558 0.04 1 766 505 77 GLN HE21 H 7.530 0.04 1 767 505 77 GLN HE22 H 6.760 0.04 1 768 505 77 GLN C C 176.403 0.25 1 769 505 77 GLN CA C 55.387 0.25 1 770 505 77 GLN CB C 28.792 0.25 1 771 505 77 GLN CG C 34.006 0.25 1 772 505 77 GLN N N 113.473 0.25 1 773 505 77 GLN NE2 N 111.800 0.25 1 774 506 78 GLY H H 7.867 0.04 1 775 506 78 GLY HA2 H 3.671 0.04 1 776 506 78 GLY HA3 H 4.370 0.04 1 777 506 78 GLY C C 174.133 0.25 1 778 506 78 GLY CA C 45.874 0.25 1 779 506 78 GLY N N 106.968 0.25 1 780 507 79 ARG H H 7.858 0.04 1 781 507 79 ARG HA H 3.717 0.04 1 782 507 79 ARG HB2 H 0.360 0.04 1 783 507 79 ARG HB3 H 1.030 0.04 1 784 507 79 ARG HG2 H 0.385 0.04 1 785 507 79 ARG HG3 H 1.268 0.04 1 786 507 79 ARG C C 171.000 0.25 1 787 507 79 ARG CA C 58.285 0.25 1 788 507 79 ARG CB C 29.901 0.25 1 789 507 79 ARG CG C 27.976 0.25 1 790 507 79 ARG N N 123.761 0.25 1 791 508 80 ILE H H 7.180 0.04 1 792 508 80 ILE HA H 4.859 0.04 1 793 508 80 ILE HB H 1.626 0.04 1 794 508 80 ILE HG12 H 1.129 0.04 1 795 508 80 ILE HG13 H 1.850 0.04 1 796 508 80 ILE HG2 H 0.854 0.04 1 797 508 80 ILE HD1 H 0.890 0.04 1 798 508 80 ILE C C 176.521 0.25 1 799 508 80 ILE CA C 59.199 0.25 1 800 508 80 ILE CB C 42.573 0.25 1 801 508 80 ILE CG1 C 27.255 0.25 1 802 508 80 ILE CG2 C 17.735 0.25 1 803 508 80 ILE CD1 C 14.322 0.25 1 804 508 80 ILE N N 119.641 0.25 1 805 509 81 GLN H H 8.536 0.04 1 806 509 81 GLN HA H 4.918 0.04 1 807 509 81 GLN HB2 H 1.759 0.04 1 808 509 81 GLN HB3 H 1.881 0.04 1 809 509 81 GLN HG3 H 2.063 0.04 1 810 509 81 GLN HE21 H 6.950 0.04 1 811 509 81 GLN HE22 H 6.480 0.04 1 812 509 81 GLN C C 173.750 0.25 1 813 509 81 GLN CA C 54.255 0.25 1 814 509 81 GLN CB C 32.267 0.25 1 815 509 81 GLN CG C 33.671 0.25 1 816 509 81 GLN N N 125.871 0.25 1 817 509 81 GLN NE2 N 111.100 0.25 1 818 510 82 ALA H H 8.865 0.04 1 819 510 82 ALA HA H 4.946 0.04 1 820 510 82 ALA HB H 1.347 0.04 1 821 510 82 ALA C C 175.742 0.25 1 822 510 82 ALA CA C 51.009 0.25 1 823 510 82 ALA CB C 21.245 0.25 1 824 510 82 ALA N N 133.952 0.25 1 825 511 83 THR H H 9.368 0.04 1 826 511 83 THR HA H 4.652 0.04 1 827 511 83 THR HB H 4.345 0.04 1 828 511 83 THR HG2 H 1.020 0.04 1 829 511 83 THR C C 174.487 0.25 1 830 511 83 THR CA C 62.152 0.25 1 831 511 83 THR CB C 69.678 0.25 1 832 511 83 THR CG2 C 22.281 0.25 1 833 511 83 THR N N 121.442 0.25 1 834 512 84 THR H H 8.829 0.04 1 835 512 84 THR HA H 4.706 0.04 1 836 512 84 THR HB H 3.959 0.04 1 837 512 84 THR HG2 H 1.009 0.04 1 838 512 84 THR C C 173.054 0.25 1 839 512 84 THR CA C 63.609 0.25 1 840 512 84 THR CB C 69.408 0.25 1 841 512 84 THR CG2 C 22.254 0.25 1 842 512 84 THR N N 126.491 0.25 1 843 513 85 ASP H H 7.272 0.04 1 844 513 85 ASP HA H 5.022 0.04 1 845 513 85 ASP HB2 H 2.657 0.04 1 846 513 85 ASP HB3 H 2.370 0.04 1 847 513 85 ASP C C 179.097 0.25 1 848 513 85 ASP CA C 52.164 0.25 1 849 513 85 ASP CB C 42.331 0.25 1 850 513 85 ASP N N 113.706 0.25 1 851 514 86 ILE H H 8.916 0.04 1 852 514 86 ILE HA H 3.636 0.04 1 853 514 86 ILE HB H 1.409 0.04 1 854 514 86 ILE HG13 H 0.575 0.04 1 855 514 86 ILE HG2 H 0.428 0.04 1 856 514 86 ILE HD1 H 0.270 0.04 1 857 514 86 ILE C C 175.769 0.25 1 858 514 86 ILE CA C 63.545 0.25 1 859 514 86 ILE CB C 38.180 0.25 1 860 514 86 ILE CG1 C 26.255 0.25 1 861 514 86 ILE CG2 C 17.239 0.25 1 862 514 86 ILE CD1 C 14.926 0.25 1 863 514 86 ILE N N 123.327 0.25 1 864 515 87 PHE H H 8.154 0.04 1 865 515 87 PHE HA H 4.517 0.04 1 866 515 87 PHE HB2 H 3.011 0.04 1 867 515 87 PHE HB3 H 3.398 0.04 1 868 515 87 PHE HD1 H 7.260 0.04 1 869 515 87 PHE HE1 H 7.270 0.04 1 870 515 87 PHE C C 176.514 0.25 1 871 515 87 PHE CA C 58.401 0.25 1 872 515 87 PHE CB C 37.600 0.25 1 873 515 87 PHE CD1 C 131.400 0.25 1 874 515 87 PHE N N 117.344 0.25 1 875 516 88 LYS H H 7.634 0.04 1 876 516 88 LYS HA H 4.715 0.04 1 877 516 88 LYS HB2 H 1.505 0.04 1 878 516 88 LYS HB3 H 2.176 0.04 1 879 516 88 LYS HG3 H 1.305 0.04 1 880 516 88 LYS HD2 H 1.640 0.04 1 881 516 88 LYS HD3 H 1.680 0.04 1 882 516 88 LYS HE3 H 2.987 0.04 1 883 516 88 LYS C C 175.486 0.25 1 884 516 88 LYS CA C 54.831 0.25 1 885 516 88 LYS CB C 33.581 0.25 1 886 516 88 LYS CG C 25.084 0.25 1 887 516 88 LYS CD C 29.254 0.25 1 888 516 88 LYS CE C 42.293 0.25 1 889 516 88 LYS N N 120.351 0.25 1 890 517 89 ALA H H 7.552 0.04 1 891 517 89 ALA HA H 4.561 0.04 1 892 517 89 ALA HB H 1.290 0.04 1 893 517 89 ALA C C 176.799 0.25 1 894 517 89 ALA CA C 51.980 0.25 1 895 517 89 ALA CB C 20.779 0.25 1 896 517 89 ALA N N 122.264 0.25 1 897 518 90 GLY H H 8.499 0.04 1 898 518 90 GLY HA2 H 3.746 0.04 1 899 518 90 GLY HA3 H 3.890 0.04 1 900 518 90 GLY C C 175.260 0.25 1 901 518 90 GLY CA C 46.252 0.25 1 902 518 90 GLY N N 110.102 0.25 1 903 519 91 LEU H H 8.418 0.04 1 904 519 91 LEU HA H 4.285 0.04 1 905 519 91 LEU HB2 H 0.740 0.04 1 906 519 91 LEU HB3 H 1.593 0.04 1 907 519 91 LEU HG H 1.220 0.04 1 908 519 91 LEU HD1 H 0.248 0.04 1 909 519 91 LEU HD2 H 0.052 0.04 1 910 519 91 LEU C C 176.687 0.25 1 911 519 91 LEU CA C 54.291 0.25 1 912 519 91 LEU CB C 42.942 0.25 1 913 519 91 LEU CG C 26.300 0.25 1 914 519 91 LEU CD1 C 23.500 0.25 1 915 519 91 LEU CD2 C 21.200 0.25 1 916 519 91 LEU N N 120.980 0.25 1 917 520 92 THR H H 6.149 0.04 1 918 520 92 THR HA H 4.420 0.04 1 919 520 92 THR HG2 H 1.360 0.04 1 920 520 92 THR CA C 60.231 0.25 1 921 520 92 THR CB C 71.205 0.25 1 922 520 92 THR N N 107.429 0.25 1 923 521 93 GLU H H 7.290 0.04 1 924 521 93 GLU HA H 4.173 0.04 1 925 521 93 GLU HB3 H 1.988 0.04 1 926 521 93 GLU HG2 H 2.219 0.04 1 927 521 93 GLU HG3 H 2.940 0.04 1 928 521 93 GLU C C 176.567 0.25 1 929 521 93 GLU CA C 57.220 0.25 1 930 521 93 GLU CB C 30.353 0.25 1 931 521 93 GLU CG C 36.281 0.25 1 932 521 93 GLU N N 118.700 0.25 1 933 522 94 CYS H H 8.218 0.04 1 934 522 94 CYS HA H 4.139 0.04 1 935 522 94 CYS HB2 H 2.620 0.04 1 936 522 94 CYS HB3 H 3.084 0.04 1 937 522 94 CYS C C 177.769 0.25 1 938 522 94 CYS CA C 61.379 0.25 1 939 522 94 CYS CB C 32.851 0.25 1 940 522 94 CYS N N 121.185 0.25 1 941 523 95 HIS H H 7.333 0.04 1 942 523 95 HIS HA H 3.796 0.04 1 943 523 95 HIS HB3 H 3.170 0.04 1 944 523 95 HIS HD2 H 6.100 0.04 1 945 523 95 HIS HE1 H 7.700 0.04 1 946 523 95 HIS C C 177.832 0.25 1 947 523 95 HIS CA C 59.058 0.25 1 948 523 95 HIS CB C 28.841 0.25 1 949 523 95 HIS CE1 C 138.400 0.25 1 950 523 95 HIS N N 117.000 0.25 1 951 524 96 LEU H H 8.582 0.04 1 952 524 96 LEU HA H 3.792 0.04 1 953 524 96 LEU HB2 H 1.279 0.04 1 954 524 96 LEU HB3 H 1.890 0.04 1 955 524 96 LEU HG H 1.590 0.04 1 956 524 96 LEU HD1 H 0.840 0.04 1 957 524 96 LEU HD2 H 0.570 0.04 1 958 524 96 LEU C C 180.184 0.25 1 959 524 96 LEU CA C 58.223 0.25 1 960 524 96 LEU CB C 41.482 0.25 1 961 524 96 LEU CD1 C 25.662 0.25 1 962 524 96 LEU CD2 C 22.969 0.25 1 963 524 96 LEU N N 117.403 0.25 1 964 525 97 ASN H H 9.226 0.04 1 965 525 97 ASN HA H 4.534 0.04 1 966 525 97 ASN HB2 H 2.845 0.04 1 967 525 97 ASN HB3 H 2.985 0.04 1 968 525 97 ASN HD21 H 7.760 0.04 1 969 525 97 ASN HD22 H 7.050 0.04 1 970 525 97 ASN C C 177.023 0.25 1 971 525 97 ASN CA C 55.784 0.25 1 972 525 97 ASN CB C 38.017 0.25 1 973 525 97 ASN N N 118.149 0.25 1 974 525 97 ASN ND2 N 112.900 0.25 1 975 526 98 GLN H H 7.290 0.04 1 976 526 98 GLN HA H 4.358 0.04 1 977 526 98 GLN HB2 H 1.913 0.04 1 978 526 98 GLN HB3 H 2.062 0.04 1 979 526 98 GLN HG2 H 2.273 0.04 1 980 526 98 GLN HG3 H 2.561 0.04 1 981 526 98 GLN HE21 H 7.260 0.04 1 982 526 98 GLN HE22 H 6.810 0.04 1 983 526 98 GLN C C 175.801 0.25 1 984 526 98 GLN CA C 57.008 0.25 1 985 526 98 GLN CB C 28.586 0.25 1 986 526 98 GLN CG C 33.783 0.25 1 987 526 98 GLN N N 115.619 0.25 1 988 526 98 GLN NE2 N 112.300 0.25 1 989 527 99 LEU H H 6.944 0.04 1 990 527 99 LEU HA H 4.130 0.04 1 991 527 99 LEU HB2 H 1.130 0.04 1 992 527 99 LEU HB3 H 1.581 0.04 1 993 527 99 LEU HG H 1.540 0.04 1 994 527 99 LEU HD1 H 0.632 0.04 1 995 527 99 LEU HD2 H 0.220 0.04 1 996 527 99 LEU C C 178.587 0.25 1 997 527 99 LEU CA C 55.568 0.25 1 998 527 99 LEU CB C 42.148 0.25 1 999 527 99 LEU CG C 27.000 0.25 1 1000 527 99 LEU CD1 C 25.624 0.25 1 1001 527 99 LEU CD2 C 22.000 0.25 1 1002 527 99 LEU N N 115.651 0.25 1 1003 528 100 ARG H H 8.246 0.04 1 1004 528 100 ARG HA H 4.310 0.04 1 1005 528 100 ARG HB2 H 1.720 0.04 1 1006 528 100 ARG HB3 H 1.870 0.04 1 1007 528 100 ARG HG3 H 1.970 0.04 1 1008 528 100 ARG HD3 H 3.270 0.04 1 1009 528 100 ARG CA C 61.278 0.25 1 1010 528 100 ARG CB C 28.800 0.25 1 1011 528 100 ARG CD C 43.400 0.25 1 1012 528 100 ARG N N 121.110 0.25 1 1013 529 101 PRO HA H 4.432 0.04 1 1014 529 101 PRO HB2 H 1.774 0.04 1 1015 529 101 PRO HB3 H 2.390 0.04 1 1016 529 101 PRO HG3 H 2.010 0.04 1 1017 529 101 PRO HD2 H 3.360 0.04 1 1018 529 101 PRO HD3 H 3.750 0.04 1 1019 529 101 PRO C C 177.119 0.25 1 1020 529 101 PRO CA C 65.500 0.25 1 1021 529 101 PRO CB C 31.079 0.25 1 1022 529 101 PRO CG C 28.353 0.25 1 1023 529 101 PRO CD C 51.400 0.25 1 1024 530 102 LEU H H 6.908 0.04 1 1025 530 102 LEU HA H 4.186 0.04 1 1026 530 102 LEU HB2 H 1.320 0.04 1 1027 530 102 LEU HB3 H 1.700 0.04 1 1028 530 102 LEU HG H 1.630 0.04 1 1029 530 102 LEU HD1 H 0.790 0.04 1 1030 530 102 LEU HD2 H 0.700 0.04 1 1031 530 102 LEU C C 176.839 0.25 1 1032 530 102 LEU CA C 54.360 0.25 1 1033 530 102 LEU CB C 42.962 0.25 1 1034 530 102 LEU CD1 C 25.865 0.25 1 1035 530 102 LEU CD2 C 22.906 0.25 1 1036 530 102 LEU N N 113.140 0.25 1 1037 531 103 LYS H H 8.120 0.04 1 1038 531 103 LYS HA H 3.881 0.04 1 1039 531 103 LYS HB2 H 2.029 0.04 1 1040 531 103 LYS HB3 H 2.377 0.04 1 1041 531 103 LYS HG2 H 1.419 0.04 1 1042 531 103 LYS HG3 H 1.586 0.04 1 1043 531 103 LYS HD2 H 1.830 0.04 1 1044 531 103 LYS HD3 H 1.990 0.04 1 1045 531 103 LYS HE2 H 3.080 0.04 1 1046 531 103 LYS HE3 H 3.100 0.04 1 1047 531 103 LYS C C 173.063 0.25 1 1048 531 103 LYS CA C 57.573 0.25 1 1049 531 103 LYS CB C 28.802 0.25 1 1050 531 103 LYS CG C 25.556 0.25 1 1051 531 103 LYS CD C 29.100 0.25 1 1052 531 103 LYS CE C 42.618 0.25 1 1053 531 103 LYS N N 114.250 0.25 1 1054 532 104 VAL H H 6.477 0.04 1 1055 532 104 VAL HA H 3.000 0.04 1 1056 532 104 VAL HB H 1.400 0.04 1 1057 532 104 VAL HG1 H 0.415 0.04 1 1058 532 104 VAL HG2 H -0.069 0.04 1 1059 532 104 VAL C C 174.337 0.25 1 1060 532 104 VAL CA C 64.525 0.25 1 1061 532 104 VAL CB C 32.785 0.25 1 1062 532 104 VAL CG1 C 21.600 0.25 1 1063 532 104 VAL CG2 C 21.300 0.25 1 1064 532 104 VAL N N 115.759 0.25 1 1065 533 105 ARG H H 8.917 0.04 1 1066 533 105 ARG HA H 4.457 0.04 1 1067 533 105 ARG HB2 H 1.272 0.04 1 1068 533 105 ARG HB3 H 1.444 0.04 1 1069 533 105 ARG HG2 H 1.130 0.04 1 1070 533 105 ARG HG3 H 1.280 0.04 1 1071 533 105 ARG HD3 H 3.040 0.04 1 1072 533 105 ARG C C 173.662 0.25 1 1073 533 105 ARG CA C 53.844 0.25 1 1074 533 105 ARG CB C 31.242 0.25 1 1075 533 105 ARG CG C 27.176 0.25 1 1076 533 105 ARG N N 123.594 0.25 1 1077 534 106 ALA H H 8.338 0.04 1 1078 534 106 ALA HA H 4.663 0.04 1 1079 534 106 ALA HB H 1.779 0.04 1 1080 534 106 ALA C C 176.608 0.25 1 1081 534 106 ALA CA C 51.456 0.25 1 1082 534 106 ALA CB C 25.134 0.25 1 1083 534 106 ALA N N 123.107 0.25 1 1084 535 107 ASN H H 9.052 0.04 1 1085 535 107 ASN HA H 6.000 0.04 1 1086 535 107 ASN HB2 H 2.840 0.04 1 1087 535 107 ASN HB3 H 3.060 0.04 1 1088 535 107 ASN C C 170.841 0.25 1 1089 535 107 ASN CA C 52.258 0.25 1 1090 535 107 ASN CB C 42.060 0.25 1 1091 535 107 ASN N N 117.841 0.25 1 1092 536 108 LEU H H 8.163 0.04 1 1093 536 108 LEU HA H 4.667 0.04 1 1094 536 108 LEU HB2 H -0.730 0.04 1 1095 536 108 LEU HB3 H 0.367 0.04 1 1096 536 108 LEU HG H 1.052 0.04 1 1097 536 108 LEU HD1 H 0.477 0.04 1 1098 536 108 LEU HD2 H -0.030 0.04 1 1099 536 108 LEU C C 173.345 0.25 1 1100 536 108 LEU CA C 54.258 0.25 1 1101 536 108 LEU CB C 43.282 0.25 1 1102 536 108 LEU CG C 27.400 0.25 1 1103 536 108 LEU CD1 C 24.104 0.25 1 1104 536 108 LEU CD2 C 25.991 0.25 1 1105 536 108 LEU N N 123.199 0.25 1 1106 537 109 VAL H H 8.881 0.04 1 1107 537 109 VAL HA H 4.428 0.04 1 1108 537 109 VAL HB H 2.268 0.04 1 1109 537 109 VAL HG1 H 0.740 0.04 1 1110 537 109 VAL HG2 H 0.770 0.04 1 1111 537 109 VAL C C 174.411 0.25 1 1112 537 109 VAL CA C 62.112 0.25 1 1113 537 109 VAL CB C 34.747 0.25 1 1114 537 109 VAL CG1 C 23.356 0.25 1 1115 537 109 VAL CG2 C 19.480 0.25 1 1116 537 109 VAL N N 128.390 0.25 1 1117 538 110 VAL H H 8.456 0.04 1 1118 538 110 VAL HA H 5.360 0.04 1 1119 538 110 VAL HB H 2.320 0.04 1 1120 538 110 VAL HG1 H 1.030 0.04 1 1121 538 110 VAL HG2 H 0.720 0.04 1 1122 538 110 VAL CA C 56.783 0.25 1 1123 538 110 VAL CB C 33.069 0.25 1 1124 538 110 VAL CG1 C 22.000 0.25 1 1125 538 110 VAL CG2 C 21.800 0.25 1 1126 538 110 VAL N N 118.758 0.25 1 1127 539 111 PRO HA H 4.832 0.04 1 1128 539 111 PRO HB2 H 1.836 0.04 1 1129 539 111 PRO HB3 H 2.187 0.04 1 1130 539 111 PRO HG2 H 2.220 0.04 1 1131 539 111 PRO HG3 H 2.610 0.04 1 1132 539 111 PRO HD3 H 3.770 0.04 1 1133 539 111 PRO C C 175.835 0.25 1 1134 539 111 PRO CA C 62.909 0.25 1 1135 539 111 PRO CB C 34.483 0.25 1 1136 539 111 PRO CG C 26.822 0.25 1 1137 539 111 PRO CD C 49.868 0.25 1 1138 540 112 MET H H 8.212 0.04 1 1139 540 112 MET HA H 4.372 0.04 1 1140 540 112 MET HB2 H 1.661 0.04 1 1141 540 112 MET HB3 H 2.105 0.04 1 1142 540 112 MET HG3 H 2.170 0.04 1 1143 540 112 MET HE H 1.730 0.04 1 1144 540 112 MET C C 173.982 0.25 1 1145 540 112 MET CA C 55.763 0.25 1 1146 540 112 MET CB C 35.394 0.25 1 1147 540 112 MET CG C 32.019 0.25 1 1148 540 112 MET CE C 16.100 0.25 1 1149 540 112 MET N N 116.774 0.25 1 1150 541 113 VAL H H 8.342 0.04 1 1151 541 113 VAL HA H 4.851 0.04 1 1152 541 113 VAL HB H 2.059 0.04 1 1153 541 113 VAL HG1 H 0.996 0.04 1 1154 541 113 VAL HG2 H 0.844 0.04 1 1155 541 113 VAL C C 174.789 0.25 1 1156 541 113 VAL CA C 61.847 0.25 1 1157 541 113 VAL CB C 33.092 0.25 1 1158 541 113 VAL CG1 C 22.255 0.25 1 1159 541 113 VAL CG2 C 20.698 0.25 1 1160 541 113 VAL N N 127.382 0.25 1 1161 542 114 ILE H H 8.687 0.04 1 1162 542 114 ILE HA H 4.225 0.04 1 1163 542 114 ILE HB H 1.613 0.04 1 1164 542 114 ILE HG12 H 1.050 0.04 1 1165 542 114 ILE HG13 H 1.404 0.04 1 1166 542 114 ILE HG2 H 0.647 0.04 1 1167 542 114 ILE HD1 H 0.357 0.04 1 1168 542 114 ILE C C 176.127 0.25 1 1169 542 114 ILE CA C 60.535 0.25 1 1170 542 114 ILE CB C 41.569 0.25 1 1171 542 114 ILE CG1 C 27.601 0.25 1 1172 542 114 ILE CG2 C 16.897 0.25 1 1173 542 114 ILE CD1 C 15.183 0.25 1 1174 542 114 ILE N N 126.100 0.25 1 1175 543 115 ASP H H 10.386 0.04 1 1176 543 115 ASP HA H 4.203 0.04 1 1177 543 115 ASP HB2 H 2.361 0.04 1 1178 543 115 ASP HB3 H 2.979 0.04 1 1179 543 115 ASP C C 175.231 0.25 1 1180 543 115 ASP CA C 55.725 0.25 1 1181 543 115 ASP CB C 39.705 0.25 1 1182 543 115 ASP N N 132.060 0.25 1 1183 544 116 ASP H H 8.812 0.04 1 1184 544 116 ASP HA H 4.109 0.04 1 1185 544 116 ASP HB2 H 2.665 0.04 1 1186 544 116 ASP HB3 H 2.966 0.04 1 1187 544 116 ASP C C 174.479 0.25 1 1188 544 116 ASP CA C 55.744 0.25 1 1189 544 116 ASP CB C 41.048 0.25 1 1190 544 116 ASP N N 111.355 0.25 1 1191 545 117 GLN H H 7.884 0.04 1 1192 545 117 GLN HA H 4.582 0.04 1 1193 545 117 GLN HB2 H 1.965 0.04 1 1194 545 117 GLN HB3 H 2.180 0.04 1 1195 545 117 GLN HG2 H 2.370 0.04 1 1196 545 117 GLN HG3 H 2.430 0.04 1 1197 545 117 GLN HE21 H 7.520 0.04 1 1198 545 117 GLN HE22 H 6.820 0.04 1 1199 545 117 GLN C C 174.762 0.25 1 1200 545 117 GLN CA C 53.703 0.25 1 1201 545 117 GLN CB C 31.687 0.25 1 1202 545 117 GLN CG C 33.251 0.25 1 1203 545 117 GLN N N 117.226 0.25 1 1204 545 117 GLN NE2 N 112.500 0.25 1 1205 546 118 LEU H H 9.175 0.04 1 1206 546 118 LEU HA H 4.590 0.04 1 1207 546 118 LEU HB2 H 1.103 0.04 1 1208 546 118 LEU HB3 H 2.281 0.04 1 1209 546 118 LEU HG H 1.000 0.04 1 1210 546 118 LEU HD1 H 1.038 0.04 1 1211 546 118 LEU C C 174.041 0.25 1 1212 546 118 LEU CA C 55.029 0.25 1 1213 546 118 LEU CB C 42.361 0.25 1 1214 546 118 LEU CG C 28.146 0.25 1 1215 546 118 LEU CD1 C 24.556 0.25 1 1216 546 118 LEU N N 123.783 0.25 1 1217 547 119 PHE H H 8.925 0.04 1 1218 547 119 PHE HA H 4.564 0.04 1 1219 547 119 PHE HB2 H 2.796 0.04 1 1220 547 119 PHE HB3 H 3.336 0.04 1 1221 547 119 PHE HD2 H 7.080 0.04 1 1222 547 119 PHE HE2 H 7.020 0.04 1 1223 547 119 PHE C C 176.063 0.25 1 1224 547 119 PHE CA C 59.445 0.25 1 1225 547 119 PHE CB C 41.069 0.25 1 1226 547 119 PHE CD2 C 132.000 0.25 1 1227 547 119 PHE CE2 C 130.500 0.25 1 1228 547 119 PHE N N 132.161 0.25 1 1229 548 120 GLY H H 8.025 0.04 1 1230 548 120 GLY HA2 H 3.557 0.04 1 1231 548 120 GLY HA3 H 3.805 0.04 1 1232 548 120 GLY C C 169.176 0.25 1 1233 548 120 GLY CA C 45.906 0.25 1 1234 548 120 GLY N N 103.713 0.25 1 1235 549 121 LEU H H 8.738 0.04 1 1236 549 121 LEU HA H 4.872 0.04 1 1237 549 121 LEU HB2 H 1.013 0.04 1 1238 549 121 LEU HB3 H 1.190 0.04 1 1239 549 121 LEU HG H 1.129 0.04 1 1240 549 121 LEU HD1 H 0.124 0.04 1 1241 549 121 LEU C C 174.008 0.25 1 1242 549 121 LEU CA C 52.697 0.25 1 1243 549 121 LEU CB C 44.641 0.25 1 1244 549 121 LEU CG C 26.385 0.25 1 1245 549 121 LEU CD1 C 22.293 0.25 1 1246 549 121 LEU N N 117.457 0.25 1 1247 550 122 LEU H H 9.078 0.04 1 1248 550 122 LEU HA H 4.920 0.04 1 1249 550 122 LEU HB2 H 0.836 0.04 1 1250 550 122 LEU HB3 H 1.553 0.04 1 1251 550 122 LEU HG H 1.160 0.04 1 1252 550 122 LEU HD1 H 0.612 0.04 1 1253 550 122 LEU HD2 H -0.054 0.04 1 1254 550 122 LEU C C 175.162 0.25 1 1255 550 122 LEU CA C 53.922 0.25 1 1256 550 122 LEU CB C 42.857 0.25 1 1257 550 122 LEU CG C 27.300 0.25 1 1258 550 122 LEU CD1 C 24.688 0.25 1 1259 550 122 LEU CD2 C 26.115 0.25 1 1260 550 122 LEU N N 127.533 0.25 1 1261 551 123 ILE H H 8.382 0.04 1 1262 551 123 ILE HA H 5.332 0.04 1 1263 551 123 ILE HB H 1.173 0.04 1 1264 551 123 ILE HG13 H 1.284 0.04 1 1265 551 123 ILE HG2 H 0.530 0.04 1 1266 551 123 ILE HD1 H 0.060 0.04 1 1267 551 123 ILE C C 174.056 0.25 1 1268 551 123 ILE CA C 59.702 0.25 1 1269 551 123 ILE CB C 41.568 0.25 1 1270 551 123 ILE CG1 C 26.950 0.25 1 1271 551 123 ILE CG2 C 17.027 0.25 1 1272 551 123 ILE CD1 C 12.200 0.25 1 1273 551 123 ILE N N 123.427 0.25 1 1274 552 124 ALA H H 9.245 0.04 1 1275 552 124 ALA HA H 5.130 0.04 1 1276 552 124 ALA HB H 0.814 0.04 1 1277 552 124 ALA C C 176.892 0.25 1 1278 552 124 ALA CA C 49.481 0.25 1 1279 552 124 ALA CB C 22.936 0.25 1 1280 552 124 ALA N N 129.153 0.25 1 1281 553 125 HIS H H 9.584 0.04 1 1282 553 125 HIS HA H 5.879 0.04 1 1283 553 125 HIS HB2 H 2.666 0.04 1 1284 553 125 HIS HB3 H 3.210 0.04 1 1285 553 125 HIS HD2 H 7.240 0.04 1 1286 553 125 HIS HE1 H 7.110 0.04 1 1287 553 125 HIS HE2 H 12.360 0.04 1 1288 553 125 HIS C C 175.709 0.25 1 1289 553 125 HIS CA C 52.575 0.25 1 1290 553 125 HIS CB C 36.391 0.25 1 1291 553 125 HIS CE1 C 135.200 0.25 1 1292 553 125 HIS N N 117.481 0.25 1 1293 553 125 HIS NE2 N 165.800 0.25 1 1294 554 126 GLN H H 9.240 0.04 1 1295 554 126 GLN HA H 4.604 0.04 1 1296 554 126 GLN HG3 H 2.376 0.04 1 1297 554 126 GLN C C 174.647 0.25 1 1298 554 126 GLN CA C 55.753 0.25 1 1299 554 126 GLN CB C 30.350 0.25 1 1300 554 126 GLN CG C 33.337 0.25 1 1301 554 126 GLN N N 125.534 0.25 1 1302 555 127 ALA H H 11.446 0.04 1 1303 555 127 ALA HA H 4.543 0.04 1 1304 555 127 ALA HB H -0.075 0.04 1 1305 555 127 ALA C C 177.707 0.25 1 1306 555 127 ALA CA C 53.062 0.25 1 1307 555 127 ALA CB C 19.238 0.25 1 1308 555 127 ALA N N 135.281 0.25 1 1309 556 128 SER H H 8.106 0.04 1 1310 556 128 SER HA H 4.190 0.04 1 1311 556 128 SER HB3 H 4.120 0.04 1 1312 556 128 SER C C 174.538 0.25 1 1313 556 128 SER CA C 60.691 0.25 1 1314 556 128 SER CB C 63.729 0.25 1 1315 556 128 SER N N 110.784 0.25 1 1316 557 129 GLU H H 7.380 0.04 1 1317 557 129 GLU CA C 53.779 0.25 1 1318 557 129 GLU CB C 30.585 0.25 1 1319 557 129 GLU N N 118.812 0.25 1 1320 558 130 PRO HA H 4.290 0.04 1 1321 558 130 PRO HB2 H 1.683 0.04 1 1322 558 130 PRO HB3 H 2.123 0.04 1 1323 558 130 PRO HG2 H 1.740 0.04 1 1324 558 130 PRO HG3 H 1.960 0.04 1 1325 558 130 PRO HD2 H 3.430 0.04 1 1326 558 130 PRO HD3 H 3.640 0.04 1 1327 558 130 PRO C C 175.238 0.25 1 1328 558 130 PRO CA C 62.733 0.25 1 1329 558 130 PRO CB C 32.892 0.25 1 1330 558 130 PRO CG C 27.772 0.25 1 1331 558 130 PRO CD C 50.400 0.25 1 1332 559 131 ARG H H 8.106 0.04 1 1333 559 131 ARG HA H 3.949 0.04 1 1334 559 131 ARG HB2 H 0.570 0.04 1 1335 559 131 ARG HB3 H 0.873 0.04 1 1336 559 131 ARG HG2 H -0.290 0.04 1 1337 559 131 ARG HG3 H 0.660 0.04 1 1338 559 131 ARG HE H 7.520 0.04 1 1339 559 131 ARG HH11 H 7.060 0.04 1 1340 559 131 ARG HH21 H 6.070 0.04 1 1341 559 131 ARG C C 171.339 0.25 1 1342 559 131 ARG CA C 55.522 0.25 1 1343 559 131 ARG CB C 33.266 0.25 1 1344 559 131 ARG CG C 25.324 0.25 1 1345 559 131 ARG CD C 42.883 0.25 1 1346 559 131 ARG N N 121.705 0.25 1 1347 559 131 ARG NE N 87.700 0.25 1 1348 559 131 ARG NH1 N 71.000 0.25 1 1349 559 131 ARG NH2 N 69.300 0.25 1 1350 560 132 GLN H H 8.295 0.04 1 1351 560 132 GLN HA H 4.386 0.04 1 1352 560 132 GLN HB2 H 1.738 0.04 1 1353 560 132 GLN HB3 H 1.879 0.04 1 1354 560 132 GLN HG2 H 2.081 0.04 1 1355 560 132 GLN HG3 H 2.129 0.04 1 1356 560 132 GLN HE21 H 7.550 0.04 1 1357 560 132 GLN HE22 H 6.860 0.04 1 1358 560 132 GLN C C 175.691 0.25 1 1359 560 132 GLN CA C 53.655 0.25 1 1360 560 132 GLN CB C 27.650 0.25 1 1361 560 132 GLN CG C 33.611 0.25 1 1362 560 132 GLN N N 125.611 0.25 1 1363 560 132 GLN NE2 N 112.700 0.25 1 1364 561 133 TRP H H 7.899 0.04 1 1365 561 133 TRP HA H 4.449 0.04 1 1366 561 133 TRP HB2 H 2.909 0.04 1 1367 561 133 TRP HB3 H 3.030 0.04 1 1368 561 133 TRP HD1 H 7.450 0.04 1 1369 561 133 TRP HE1 H 11.530 0.04 1 1370 561 133 TRP HE3 H 7.270 0.04 1 1371 561 133 TRP HZ2 H 7.230 0.04 1 1372 561 133 TRP HZ3 H 6.510 0.04 1 1373 561 133 TRP C C 176.089 0.25 1 1374 561 133 TRP CA C 56.370 0.25 1 1375 561 133 TRP CB C 28.641 0.25 1 1376 561 133 TRP CD1 C 129.400 0.25 1 1377 561 133 TRP CE3 C 120.200 0.25 1 1378 561 133 TRP CZ2 C 116.800 0.25 1 1379 561 133 TRP CZ3 C 120.700 0.25 1 1380 561 133 TRP N N 132.619 0.25 1 1381 561 133 TRP NE1 N 130.800 0.25 1 1382 562 134 GLN H H 9.714 0.04 1 1383 562 134 GLN HA H 4.465 0.04 1 1384 562 134 GLN HB2 H 1.810 0.04 1 1385 562 134 GLN HB3 H 2.506 0.04 1 1386 562 134 GLN HG2 H 2.470 0.04 1 1387 562 134 GLN HG3 H 2.510 0.04 1 1388 562 134 GLN HE21 H 7.290 0.04 1 1389 562 134 GLN HE22 H 6.900 0.04 1 1390 562 134 GLN C C 177.060 0.25 1 1391 562 134 GLN CA C 54.712 0.25 1 1392 562 134 GLN CB C 30.536 0.25 1 1393 562 134 GLN CG C 33.940 0.25 1 1394 562 134 GLN N N 124.398 0.25 1 1395 562 134 GLN NE2 N 113.100 0.25 1 1396 563 135 GLU H H 9.197 0.04 1 1397 563 135 GLU HA H 3.913 0.04 1 1398 563 135 GLU HB3 H 2.104 0.04 1 1399 563 135 GLU HG2 H 2.334 0.04 1 1400 563 135 GLU HG3 H 2.406 0.04 1 1401 563 135 GLU C C 178.669 0.25 1 1402 563 135 GLU CA C 61.261 0.25 1 1403 563 135 GLU CB C 29.246 0.25 1 1404 563 135 GLU CG C 36.746 0.25 1 1405 563 135 GLU N N 124.299 0.25 1 1406 564 136 ILE H H 8.482 0.04 1 1407 564 136 ILE HA H 4.217 0.04 1 1408 564 136 ILE HB H 1.903 0.04 1 1409 564 136 ILE HG12 H 1.277 0.04 1 1410 564 136 ILE HG13 H 1.533 0.04 1 1411 564 136 ILE HG2 H 0.949 0.04 1 1412 564 136 ILE HD1 H 0.940 0.04 1 1413 564 136 ILE C C 177.495 0.25 1 1414 564 136 ILE CA C 63.396 0.25 1 1415 564 136 ILE CB C 37.815 0.25 1 1416 564 136 ILE CG1 C 28.804 0.25 1 1417 564 136 ILE CG2 C 17.801 0.25 1 1418 564 136 ILE CD1 C 13.897 0.25 1 1419 564 136 ILE N N 115.325 0.25 1 1420 565 137 GLU H H 6.700 0.04 1 1421 565 137 GLU HA H 4.014 0.04 1 1422 565 137 GLU HB3 H 1.811 0.04 1 1423 565 137 GLU HG3 H 2.314 0.04 1 1424 565 137 GLU C C 178.136 0.25 1 1425 565 137 GLU CA C 58.734 0.25 1 1426 565 137 GLU CB C 29.617 0.25 1 1427 565 137 GLU CG C 36.848 0.25 1 1428 565 137 GLU N N 121.151 0.25 1 1429 566 138 ILE H H 8.122 0.04 1 1430 566 138 ILE HA H 3.450 0.04 1 1431 566 138 ILE HB H 1.940 0.04 1 1432 566 138 ILE HG13 H 1.760 0.04 1 1433 566 138 ILE HG2 H 0.972 0.04 1 1434 566 138 ILE HD1 H 0.730 0.04 1 1435 566 138 ILE C C 178.664 0.25 1 1436 566 138 ILE CA C 66.463 0.25 1 1437 566 138 ILE CB C 38.360 0.25 1 1438 566 138 ILE CG1 C 29.173 0.25 1 1439 566 138 ILE CG2 C 17.854 0.25 1 1440 566 138 ILE CD1 C 13.438 0.25 1 1441 566 138 ILE N N 119.835 0.25 1 1442 567 139 ASP H H 8.503 0.04 1 1443 567 139 ASP HA H 4.372 0.04 1 1444 567 139 ASP HB2 H 2.732 0.04 1 1445 567 139 ASP HB3 H 2.832 0.04 1 1446 567 139 ASP C C 179.395 0.25 1 1447 567 139 ASP CA C 57.846 0.25 1 1448 567 139 ASP CB C 40.610 0.25 1 1449 567 139 ASP N N 120.402 0.25 1 1450 568 140 GLN H H 8.273 0.04 1 1451 568 140 GLN HA H 4.147 0.04 1 1452 568 140 GLN HB2 H 2.099 0.04 1 1453 568 140 GLN HB3 H 2.288 0.04 1 1454 568 140 GLN HG2 H 2.418 0.04 1 1455 568 140 GLN HG3 H 2.852 0.04 1 1456 568 140 GLN HE21 H 7.240 0.04 1 1457 568 140 GLN HE22 H 6.730 0.04 1 1458 568 140 GLN C C 179.163 0.25 1 1459 568 140 GLN CA C 59.243 0.25 1 1460 568 140 GLN CB C 29.668 0.25 1 1461 568 140 GLN CG C 35.125 0.25 1 1462 568 140 GLN N N 118.044 0.25 1 1463 568 140 GLN NE2 N 109.600 0.25 1 1464 569 141 PHE H H 8.962 0.04 1 1465 569 141 PHE HA H 4.303 0.04 1 1466 569 141 PHE HB2 H 2.966 0.04 1 1467 569 141 PHE HB3 H 3.204 0.04 1 1468 569 141 PHE HD2 H 6.920 0.04 1 1469 569 141 PHE HE2 H 6.940 0.04 1 1470 569 141 PHE HZ H 6.760 0.04 1 1471 569 141 PHE C C 177.052 0.25 1 1472 569 141 PHE CA C 61.230 0.25 1 1473 569 141 PHE CB C 40.614 0.25 1 1474 569 141 PHE CD2 C 131.700 0.25 1 1475 569 141 PHE CE2 C 130.700 0.25 1 1476 569 141 PHE CZ C 130.300 0.25 1 1477 569 141 PHE N N 124.363 0.25 1 1478 570 142 SER H H 8.880 0.04 1 1479 570 142 SER HA H 4.353 0.04 1 1480 570 142 SER HB3 H 4.087 0.04 1 1481 570 142 SER C C 177.332 0.25 1 1482 570 142 SER CA C 61.727 0.25 1 1483 570 142 SER CB C 62.752 0.25 1 1484 570 142 SER N N 113.474 0.25 1 1485 571 143 GLU H H 8.251 0.04 1 1486 571 143 GLU HA H 4.151 0.04 1 1487 571 143 GLU HB2 H 2.145 0.04 1 1488 571 143 GLU HB3 H 2.177 0.04 1 1489 571 143 GLU HG3 H 2.355 0.04 1 1490 571 143 GLU C C 178.900 0.25 1 1491 571 143 GLU CA C 59.404 0.25 1 1492 571 143 GLU CB C 29.340 0.25 1 1493 571 143 GLU CG C 36.366 0.25 1 1494 571 143 GLU N N 122.935 0.25 1 1495 572 144 LEU H H 7.811 0.04 1 1496 572 144 LEU HA H 4.040 0.04 1 1497 572 144 LEU HB2 H 1.569 0.04 1 1498 572 144 LEU HB3 H 1.891 0.04 1 1499 572 144 LEU HG H 1.350 0.04 1 1500 572 144 LEU HD1 H 0.878 0.04 1 1501 572 144 LEU HD2 H 0.614 0.04 1 1502 572 144 LEU C C 178.222 0.25 1 1503 572 144 LEU CA C 58.316 0.25 1 1504 572 144 LEU CB C 41.446 0.25 1 1505 572 144 LEU CG C 26.800 0.25 1 1506 572 144 LEU CD1 C 25.980 0.25 1 1507 572 144 LEU CD2 C 23.879 0.25 1 1508 572 144 LEU N N 123.239 0.25 1 1509 573 145 ALA H H 7.636 0.04 1 1510 573 145 ALA HA H 3.704 0.04 1 1511 573 145 ALA HB H 1.276 0.04 1 1512 573 145 ALA C C 180.552 0.25 1 1513 573 145 ALA CA C 55.596 0.25 1 1514 573 145 ALA CB C 19.404 0.25 1 1515 573 145 ALA N N 120.107 0.25 1 1516 574 146 SER H H 8.675 0.04 1 1517 574 146 SER HA H 4.415 0.04 1 1518 574 146 SER HB2 H 4.020 0.04 1 1519 574 146 SER HB3 H 4.080 0.04 1 1520 574 146 SER C C 177.418 0.25 1 1521 574 146 SER CA C 61.750 0.25 1 1522 574 146 SER CB C 62.688 0.25 1 1523 574 146 SER N N 116.333 0.25 1 1524 575 147 THR H H 8.870 0.04 1 1525 575 147 THR HA H 4.001 0.04 1 1526 575 147 THR HB H 4.283 0.04 1 1527 575 147 THR HG2 H 1.210 0.04 1 1528 575 147 THR C C 177.033 0.25 1 1529 575 147 THR CA C 66.835 0.25 1 1530 575 147 THR CB C 68.384 0.25 1 1531 575 147 THR CG2 C 21.691 0.25 1 1532 575 147 THR N N 120.659 0.25 1 1533 576 148 GLY H H 8.687 0.04 1 1534 576 148 GLY HA3 H 3.530 0.04 1 1535 576 148 GLY C C 174.221 0.25 1 1536 576 148 GLY CA C 47.808 0.25 1 1537 576 148 GLY N N 108.168 0.25 1 1538 577 149 SER H H 8.314 0.04 1 1539 577 149 SER HA H 3.889 0.04 1 1540 577 149 SER HB2 H 4.170 0.04 1 1541 577 149 SER HB3 H 3.996 0.04 1 1542 577 149 SER C C 174.830 0.25 1 1543 577 149 SER CA C 63.606 0.25 1 1544 577 149 SER CB C 62.564 0.25 1 1545 577 149 SER N N 118.111 0.25 1 1546 578 150 LEU H H 7.841 0.04 1 1547 578 150 LEU HA H 3.785 0.04 1 1548 578 150 LEU HB2 H 1.131 0.04 1 1549 578 150 LEU HB3 H 1.890 0.04 1 1550 578 150 LEU HG H 1.560 0.04 1 1551 578 150 LEU HD1 H 0.459 0.04 1 1552 578 150 LEU HD2 H 0.480 0.04 1 1553 578 150 LEU C C 179.351 0.25 1 1554 578 150 LEU CA C 58.109 0.25 1 1555 578 150 LEU CB C 41.837 0.25 1 1556 578 150 LEU CG C 27.800 0.25 1 1557 578 150 LEU CD1 C 25.999 0.25 1 1558 578 150 LEU CD2 C 24.307 0.25 1 1559 578 150 LEU N N 122.532 0.25 1 1560 579 151 VAL H H 8.789 0.04 1 1561 579 151 VAL CA C 59.949 0.25 1 1562 579 151 VAL CB C 31.167 0.25 1 1563 579 151 VAL N N 122.455 0.25 1 1564 582 154 ARG HA H 3.694 0.04 1 1565 582 154 ARG C C 170.822 0.25 1 1566 582 154 ARG CA C 58.211 0.25 1 1567 582 154 ARG CB C 30.031 0.25 1 1568 582 154 ARG CG C 28.307 0.25 1 1569 583 155 LEU H H 7.100 0.04 1 1570 583 155 LEU CA C 58.995 0.25 1 1571 583 155 LEU CB C 42.668 0.25 1 1572 583 155 LEU N N 118.579 0.25 1 1573 585 157 PHE C C 176.850 0.25 1 1574 585 157 PHE CA C 54.882 0.25 1 1575 585 157 PHE CB C 41.019 0.25 1 1576 586 158 LEU H H 8.147 0.04 1 1577 586 158 LEU CA C 55.891 0.25 1 1578 586 158 LEU CB C 42.021 0.25 1 1579 586 158 LEU N N 122.944 0.25 1 1580 587 159 GLU HA H 4.213 0.04 1 1581 587 159 GLU HB2 H 1.941 0.04 1 1582 587 159 GLU HB3 H 2.065 0.04 1 1583 587 159 GLU HG3 H 2.256 0.04 1 1584 587 159 GLU C C 176.917 0.25 1 1585 587 159 GLU CA C 57.437 0.25 1 1586 587 159 GLU CB C 30.047 0.25 1 1587 587 159 GLU CG C 36.517 0.25 1 1588 588 160 GLN H H 8.402 0.04 1 1589 588 160 GLN CA C 57.300 0.25 1 1590 588 160 GLN CB C 30.196 0.25 1 1591 588 160 GLN N N 120.604 0.25 1 1592 589 161 THR HA H 4.167 0.04 1 1593 589 161 THR HB H 4.209 0.04 1 1594 589 161 THR HG2 H 1.127 0.04 1 1595 589 161 THR C C 174.851 0.25 1 1596 589 161 THR CA C 62.959 0.25 1 1597 589 161 THR CB C 69.693 0.25 1 1598 589 161 THR CG2 C 21.546 0.25 1 1599 590 162 ILE H H 8.028 0.04 1 1600 590 162 ILE CA C 61.524 0.25 1 1601 590 162 ILE CB C 38.402 0.25 1 1602 590 162 ILE N N 123.158 0.25 1 1603 591 163 ALA HA H 4.180 0.04 1 1604 591 163 ALA HB H 1.396 0.04 1 1605 591 163 ALA C C 178.457 0.25 1 1606 591 163 ALA CA C 53.569 0.25 1 1607 591 163 ALA CB C 18.733 0.25 1 1608 592 164 SER H H 7.946 0.04 1 1609 592 164 SER HA H 4.290 0.04 1 1610 592 164 SER HB2 H 3.860 0.04 1 1611 592 164 SER HB3 H 3.900 0.04 1 1612 592 164 SER C C 174.913 0.25 1 1613 592 164 SER CA C 58.992 0.25 1 1614 592 164 SER CB C 63.550 0.25 1 1615 592 164 SER N N 113.507 0.25 1 1616 593 165 LEU H H 7.901 0.04 1 1617 593 165 LEU CA C 55.774 0.25 1 1618 593 165 LEU CB C 42.119 0.25 1 1619 593 165 LEU N N 122.847 0.25 1 stop_ save_