data_17512 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments for S. aureus primase C-terminal domain ; _BMRB_accession_number 17512 _BMRB_flat_file_name bmr17512.str _Entry_type original _Submission_date 2011-03-07 _Accession_date 2011-03-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shortridge Matthew D. . 2 Griep Mark A. . 3 Powers Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 725 "13C chemical shifts" 565 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-06 update BMRB 'delete outlier 0.00 of 50 HIS CD2' 2012-04-06 update BMRB 'update entry citation' 2011-06-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N NMR assignments for the helicase interaction domain of Staphylococcus aureus DnaG primase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21644056 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shortridge Matthew D. . 2 Griep Mark A. . 3 Powers Robert . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35 _Page_last 38 _Year 2012 _Details . loop_ _Keyword 'C-terminal domain' DnaG NMR primase 'protein structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'primase CTD' _Enzyme_commission_number 2.7.7.- loop_ _Mol_system_component_name _Mol_label 'c-terminal domain' $primase_CTD stop_ _System_molecular_weight 17291.0 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_primase_CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common primase_CTD _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'bacterial DnaG primase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; FDNLSRQEKAERAFLKHLMR DKDTFLNYYESVDKDNFTNQ HFKYVFEVLHDFYAENDQYN ISDAVQYVNSNELRETLISL EQYNLNDEPYENEIDDYVNV INEKGQETIESLNHKLREAT RIGDVELQKYYLQQIVAKNK ERM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 463 PHE 2 464 ASP 3 465 ASN 4 466 LEU 5 467 SER 6 468 ARG 7 469 GLN 8 470 GLU 9 471 LYS 10 472 ALA 11 473 GLU 12 474 ARG 13 475 ALA 14 476 PHE 15 477 LEU 16 478 LYS 17 479 HIS 18 480 LEU 19 481 MET 20 482 ARG 21 483 ASP 22 484 LYS 23 485 ASP 24 486 THR 25 487 PHE 26 488 LEU 27 489 ASN 28 490 TYR 29 491 TYR 30 492 GLU 31 493 SER 32 494 VAL 33 495 ASP 34 496 LYS 35 497 ASP 36 498 ASN 37 499 PHE 38 500 THR 39 501 ASN 40 502 GLN 41 503 HIS 42 504 PHE 43 505 LYS 44 506 TYR 45 507 VAL 46 508 PHE 47 509 GLU 48 510 VAL 49 511 LEU 50 512 HIS 51 513 ASP 52 514 PHE 53 515 TYR 54 516 ALA 55 517 GLU 56 518 ASN 57 519 ASP 58 520 GLN 59 521 TYR 60 522 ASN 61 523 ILE 62 524 SER 63 525 ASP 64 526 ALA 65 527 VAL 66 528 GLN 67 529 TYR 68 530 VAL 69 531 ASN 70 532 SER 71 533 ASN 72 534 GLU 73 535 LEU 74 536 ARG 75 537 GLU 76 538 THR 77 539 LEU 78 540 ILE 79 541 SER 80 542 LEU 81 543 GLU 82 544 GLN 83 545 TYR 84 546 ASN 85 547 LEU 86 548 ASN 87 549 ASP 88 550 GLU 89 551 PRO 90 552 TYR 91 553 GLU 92 554 ASN 93 555 GLU 94 556 ILE 95 557 ASP 96 558 ASP 97 559 TYR 98 560 VAL 99 561 ASN 100 562 VAL 101 563 ILE 102 564 ASN 103 565 GLU 104 566 LYS 105 567 GLY 106 568 GLN 107 569 GLU 108 570 THR 109 571 ILE 110 572 GLU 111 573 SER 112 574 LEU 113 575 ASN 114 576 HIS 115 577 LYS 116 578 LEU 117 579 ARG 118 580 GLU 119 581 ALA 120 582 THR 121 583 ARG 122 584 ILE 123 585 GLY 124 586 ASP 125 587 VAL 126 588 GLU 127 589 LEU 128 590 GLN 129 591 LYS 130 592 TYR 131 593 TYR 132 594 LEU 133 595 GLN 134 596 GLN 135 597 ILE 136 598 VAL 137 599 ALA 138 600 LYS 139 601 ASN 140 602 LYS 141 603 GLU 142 604 ARG 143 605 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 PDB 2LZN "Solution Structure Of S. Aureus Primase C-terminal Domain" 100.00 143 100.00 100.00 1.13e-96 DBJ BAA19493 "dnaG [Staphylococcus aureus]" 100.00 572 98.60 99.30 7.81e-91 DBJ BAB42654 "DNA primase [Staphylococcus aureus subsp. aureus N315]" 100.00 605 100.00 100.00 6.01e-92 DBJ BAB57724 "DNA primase [Staphylococcus aureus subsp. aureus Mu50]" 100.00 605 100.00 100.00 6.01e-92 DBJ BAB95379 "DNA primase [Staphylococcus aureus subsp. aureus MW2]" 100.00 605 100.00 100.00 7.05e-92 DBJ BAF67737 "DNA primase [Staphylococcus aureus subsp. aureus str. Newman]" 100.00 599 100.00 100.00 4.44e-92 EMBL CAG40634 "DNA primase [Staphylococcus aureus subsp. aureus MRSA252]" 100.00 599 98.60 99.30 1.56e-90 EMBL CAG43301 "DNA primase [Staphylococcus aureus subsp. aureus MSSA476]" 100.00 605 100.00 100.00 8.73e-92 EMBL CAI81123 "DNA primase [Staphylococcus aureus RF122]" 100.00 599 98.60 99.30 1.65e-90 EMBL CAQ50051 "DNA primase [Staphylococcus aureus subsp. aureus ST398]" 100.00 599 98.60 99.30 1.70e-90 EMBL CBI49436 "DNA primase [Staphylococcus aureus subsp. aureus TW20]" 100.00 599 100.00 100.00 4.44e-92 GB AAW38235 "DNA primase [Staphylococcus aureus subsp. aureus COL]" 100.00 599 100.00 100.00 4.44e-92 GB ABD22184 "DNA primase [Staphylococcus aureus subsp. aureus USA300_FPR3757]" 100.00 599 100.00 100.00 4.44e-92 GB ABD30738 "DNA primase, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" 100.00 599 100.00 100.00 4.44e-92 GB ABQ49413 "DNA primase [Staphylococcus aureus subsp. aureus JH9]" 100.00 605 100.00 100.00 6.83e-92 GB ABR52502 "DNA primase [Staphylococcus aureus subsp. aureus JH1]" 100.00 605 100.00 100.00 6.83e-92 REF WP_000320523 "DNA primase, partial [Staphylococcus aureus]" 100.00 507 98.60 99.30 1.83e-91 REF WP_001217234 "DNA primase [Staphylococcus aureus]" 100.00 605 100.00 100.00 8.73e-92 REF WP_001217235 "DNA primase [Staphylococcus aureus]" 100.00 605 100.00 100.00 7.05e-92 REF WP_001217236 "DNA primase [Staphylococcus aureus]" 100.00 605 100.00 100.00 7.36e-92 REF WP_001217237 "DNA primase [Staphylococcus aureus]" 100.00 599 98.60 99.30 1.65e-90 SP O05338 "RecName: Full=DNA primase" 100.00 605 98.60 99.30 1.74e-90 SP P63964 "RecName: Full=DNA primase" 100.00 605 100.00 100.00 6.01e-92 SP P63965 "RecName: Full=DNA primase" 100.00 605 100.00 100.00 6.01e-92 SP Q5HFJ8 "RecName: Full=DNA primase" 100.00 599 100.00 100.00 4.44e-92 SP Q6G904 "RecName: Full=DNA primase" 100.00 605 100.00 100.00 8.73e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $primase_CTD 'Staphylococcus aureus' 1280 Bacteria . Staphylococcus aureus 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 $primase_CTD 'recombinant technology' . Escherichia coli . n/a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $primase_CTD 1.4 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 . pH pressure 1.0 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HCCH-COSY' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' 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 'c-terminal domain' _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 1 463 1 PHE H H 8.15 0.021 . 2 463 1 PHE HA H 4.53 0.021 . 3 463 1 PHE HB2 H 2.91 0.022 . 4 463 1 PHE HB3 H 3.09 0.022 . 5 463 1 PHE HD1 H 7.19 0.023 . 6 463 1 PHE HE1 H 7.16 0.023 . 7 463 1 PHE HZ H 7.14 0.021 . 8 463 1 PHE C C 172.63 0.301 . 9 463 1 PHE CA C 57.72 0.301 . 10 463 1 PHE CB C 39.22 0.301 . 11 463 1 PHE CD1 C 131.63 0.303 . 12 463 1 PHE CE1 C 130.51 0.303 . 13 463 1 PHE CZ C 129.55 0.301 . 14 463 1 PHE N N 119.76 0.301 . 15 464 2 ASP H H 8.02 0.021 . 16 464 2 ASP HA H 4.51 0.021 . 17 464 2 ASP HB2 H 2.49 0.022 . 18 464 2 ASP HB3 H 2.60 0.022 . 19 464 2 ASP C C 173.42 0.301 . 20 464 2 ASP CA C 54.33 0.301 . 21 464 2 ASP CB C 41.47 0.301 . 22 464 2 ASP N N 120.96 0.301 . 23 465 3 ASN H H 8.22 0.021 . 24 465 3 ASN HA H 4.52 0.021 . 25 465 3 ASN HB2 H 2.57 0.022 . 26 465 3 ASN HB3 H 2.64 0.022 . 27 465 3 ASN C C 172.25 0.301 . 28 465 3 ASN CA C 53.16 0.301 . 29 465 3 ASN CB C 38.86 0.301 . 30 465 3 ASN N N 119.31 0.301 . 31 466 4 LEU H H 7.84 0.021 . 32 466 4 LEU HA H 4.40 0.021 . 33 466 4 LEU HB2 H 1.37 0.022 . 34 466 4 LEU HB3 H 1.51 0.022 . 35 466 4 LEU HG H 1.60 0.021 . 36 466 4 LEU HD1 H 0.69 0.022 . 37 466 4 LEU HD2 H 0.69 0.022 . 38 466 4 LEU C C 174.70 0.301 . 39 466 4 LEU CA C 54.83 0.301 . 40 466 4 LEU CB C 43.43 0.301 . 41 466 4 LEU CG C 26.81 0.301 . 42 466 4 LEU CD1 C 22.83 0.302 . 43 466 4 LEU CD2 C 22.83 0.302 . 44 466 4 LEU N N 121.16 0.301 . 45 467 5 SER H H 9.24 0.021 . 46 467 5 SER HA H 4.43 0.021 . 47 467 5 SER C C 171.76 0.301 . 48 467 5 SER CA C 57.53 0.301 . 49 467 5 SER CB C 65.60 0.301 . 50 467 5 SER N N 119.10 0.301 . 51 468 6 ARG H H 8.81 0.021 . 52 468 6 ARG HA H 3.77 0.021 . 53 468 6 ARG HB2 H 1.86 0.022 . 54 468 6 ARG HB3 H 1.81 0.022 . 55 468 6 ARG HG2 H 1.56 0.022 . 56 468 6 ARG HG3 H 1.56 0.022 . 57 468 6 ARG HD2 H 2.80 0.022 . 58 468 6 ARG HD3 H 2.80 0.022 . 59 468 6 ARG C C 176.49 0.301 . 60 468 6 ARG CA C 60.09 0.301 . 61 468 6 ARG CB C 31.20 0.301 . 62 468 6 ARG CG C 27.68 0.301 . 63 468 6 ARG CD C 42.02 0.301 . 64 468 6 ARG N N 121.12 0.301 . 65 469 7 GLN H H 8.35 0.021 . 66 469 7 GLN HA H 3.87 0.021 . 67 469 7 GLN HB2 H 2.04 0.022 . 68 469 7 GLN HB3 H 2.04 0.022 . 69 469 7 GLN HG2 H 2.40 0.022 . 70 469 7 GLN HG3 H 2.67 0.022 . 71 469 7 GLN C C 175.01 0.301 . 72 469 7 GLN CA C 59.67 0.301 . 73 469 7 GLN CB C 27.95 0.301 . 74 469 7 GLN CG C 34.46 0.301 . 75 469 7 GLN N N 118.10 0.301 . 76 470 8 GLU H H 7.78 0.021 . 77 470 8 GLU HA H 3.80 0.021 . 78 470 8 GLU HB2 H 2.04 0.022 . 79 470 8 GLU HB3 H 2.04 0.022 . 80 470 8 GLU HG2 H 2.30 0.022 . 81 470 8 GLU HG3 H 2.30 0.022 . 82 470 8 GLU C C 176.27 0.301 . 83 470 8 GLU CA C 59.66 0.301 . 84 470 8 GLU CB C 31.77 0.301 . 85 470 8 GLU N N 118.16 0.301 . 86 471 9 LYS H H 8.60 0.021 . 87 471 9 LYS HA H 3.70 0.021 . 88 471 9 LYS HB2 H 1.89 0.022 . 89 471 9 LYS HB3 H 1.89 0.022 . 90 471 9 LYS HG2 H 1.14 0.022 . 91 471 9 LYS HG3 H 1.14 0.022 . 92 471 9 LYS HD2 H 1.62 0.022 . 93 471 9 LYS HD3 H 1.62 0.022 . 94 471 9 LYS C C 177.09 0.301 . 95 471 9 LYS CA C 60.54 0.301 . 96 471 9 LYS CB C 32.25 0.301 . 97 471 9 LYS CG C 27.95 0.301 . 98 471 9 LYS CD C 29.91 0.301 . 99 471 9 LYS N N 118.40 0.301 . 100 472 10 ALA H H 7.38 0.021 . 101 472 10 ALA HA H 4.04 0.021 . 102 472 10 ALA HB H 1.59 0.021 . 103 472 10 ALA C C 175.78 0.301 . 104 472 10 ALA CA C 55.23 0.301 . 105 472 10 ALA CB C 18.45 0.301 . 106 472 10 ALA N N 123.66 0.301 . 107 473 11 GLU H H 8.00 0.021 . 108 473 11 GLU HA H 3.84 0.021 . 109 473 11 GLU HB2 H 2.03 0.022 . 110 473 11 GLU HB3 H 2.03 0.022 . 111 473 11 GLU HG2 H 2.43 0.022 . 112 473 11 GLU HG3 H 2.43 0.022 . 113 473 11 GLU C C 174.90 0.301 . 114 473 11 GLU CA C 60.05 0.301 . 115 473 11 GLU CB C 30.58 0.301 . 116 473 11 GLU CG C 36.93 0.301 . 117 473 11 GLU N N 118.96 0.301 . 118 474 12 ARG H H 8.06 0.021 . 119 474 12 ARG HA H 4.23 0.021 . 120 474 12 ARG HB2 H 1.90 0.022 . 121 474 12 ARG HB3 H 1.90 0.022 . 122 474 12 ARG HD2 H 3.20 0.022 . 123 474 12 ARG HD3 H 3.20 0.022 . 124 474 12 ARG C C 173.68 0.301 . 125 474 12 ARG CA C 59.34 0.301 . 126 474 12 ARG CB C 30.44 0.301 . 127 474 12 ARG N N 117.33 0.301 . 128 475 13 ALA H H 7.22 0.021 . 129 475 13 ALA HA H 3.62 0.021 . 130 475 13 ALA HB H 0.55 0.021 . 131 475 13 ALA C C 176.41 0.301 . 132 475 13 ALA CA C 55.13 0.301 . 133 475 13 ALA CB C 16.86 0.301 . 134 475 13 ALA N N 118.88 0.301 . 135 476 14 PHE H H 8.19 0.021 . 136 476 14 PHE HA H 3.95 0.021 . 137 476 14 PHE HB2 H 2.66 0.022 . 138 476 14 PHE HB3 H 3.18 0.022 . 139 476 14 PHE HD1 H 6.96 0.023 . 140 476 14 PHE C C 174.14 0.301 . 141 476 14 PHE CA C 61.36 0.301 . 142 476 14 PHE CB C 40.45 0.301 . 143 476 14 PHE CD1 C 131.77 0.303 . 144 476 14 PHE N N 117.58 0.301 . 145 477 15 LEU H H 7.97 0.021 . 146 477 15 LEU HA H 4.01 0.021 . 147 477 15 LEU HB2 H 1.98 0.022 . 148 477 15 LEU HB3 H 1.98 0.022 . 149 477 15 LEU HG H 1.45 0.021 . 150 477 15 LEU HD1 H 0.88 0.022 . 151 477 15 LEU HD2 H 0.88 0.022 . 152 477 15 LEU C C 175.70 0.301 . 153 477 15 LEU CA C 58.25 0.301 . 154 477 15 LEU CB C 41.73 0.301 . 155 477 15 LEU CG C 26.21 0.301 . 156 477 15 LEU CD1 C 22.34 0.302 . 157 477 15 LEU CD2 C 22.34 0.302 . 158 477 15 LEU N N 116.51 0.301 . 159 478 16 LYS H H 7.89 0.021 . 160 478 16 LYS CA C 57.37 0.301 . 161 478 16 LYS N N 116.48 0.301 . 162 481 19 MET HB2 H 1.57 0.022 . 163 481 19 MET HB3 H 3.47 0.022 . 164 481 19 MET C C 172.67 0.301 . 165 481 19 MET CA C 57.61 0.301 . 166 481 19 MET CB C 33.97 0.301 . 167 482 20 ARG H H 7.54 0.021 . 168 482 20 ARG HA H 3.98 0.021 . 169 482 20 ARG HB2 H 1.92 0.022 . 170 482 20 ARG HB3 H 1.87 0.022 . 171 482 20 ARG HG2 H 1.63 0.022 . 172 482 20 ARG HG3 H 1.73 0.022 . 173 482 20 ARG HD2 H 3.14 0.022 . 174 482 20 ARG HD3 H 3.14 0.022 . 175 482 20 ARG C C 174.03 0.301 . 176 482 20 ARG CA C 59.47 0.301 . 177 482 20 ARG CB C 31.25 0.301 . 178 482 20 ARG CG C 27.14 0.301 . 179 482 20 ARG CD C 43.91 0.301 . 180 482 20 ARG N N 119.85 0.301 . 181 483 21 ASP H H 6.91 0.021 . 182 483 21 ASP HA H 4.89 0.021 . 183 483 21 ASP HB2 H 2.99 0.022 . 184 483 21 ASP HB3 H 2.80 0.022 . 185 483 21 ASP C C 171.58 0.301 . 186 483 21 ASP CA C 53.81 0.301 . 187 483 21 ASP CB C 43.31 0.301 . 188 483 21 ASP N N 111.39 0.301 . 189 484 22 LYS H H 8.98 0.021 . 190 484 22 LYS HB2 H 3.06 0.022 . 191 484 22 LYS HB3 H 3.06 0.022 . 192 484 22 LYS C C 174.78 0.301 . 193 484 22 LYS CA C 59.25 0.301 . 194 484 22 LYS CB C 32.76 0.301 . 195 484 22 LYS CG C 25.80 0.301 . 196 484 22 LYS CD C 27.22 0.301 . 197 484 22 LYS CE C 39.94 0.301 . 198 484 22 LYS N N 124.57 0.301 . 199 485 23 ASP H H 8.39 0.021 . 200 485 23 ASP HA H 4.35 0.021 . 201 485 23 ASP HB2 H 2.56 0.022 . 202 485 23 ASP HB3 H 2.56 0.022 . 203 485 23 ASP C C 176.61 0.301 . 204 485 23 ASP CA C 58.06 0.301 . 205 485 23 ASP CB C 40.55 0.301 . 206 485 23 ASP N N 118.28 0.301 . 207 486 24 THR H H 8.21 0.021 . 208 486 24 THR HA H 4.01 0.021 . 209 486 24 THR HB H 4.34 0.021 . 210 486 24 THR HG2 H 1.33 0.021 . 211 486 24 THR C C 173.72 0.301 . 212 486 24 THR CA C 67.53 0.301 . 213 486 24 THR CB C 67.71 0.301 . 214 486 24 THR CG2 C 22.47 0.301 . 215 486 24 THR N N 118.00 0.301 . 216 487 25 PHE H H 7.53 0.021 . 217 487 25 PHE HA H 4.14 0.021 . 218 487 25 PHE HB2 H 3.11 0.022 . 219 487 25 PHE HB3 H 3.11 0.022 . 220 487 25 PHE HD1 H 7.18 0.023 . 221 487 25 PHE C C 174.18 0.301 . 222 487 25 PHE CA C 62.81 0.301 . 223 487 25 PHE CB C 38.52 0.301 . 224 487 25 PHE CD1 C 132.27 0.303 . 225 487 25 PHE N N 121.33 0.301 . 226 488 26 LEU H H 8.90 0.021 . 227 488 26 LEU HA H 3.85 0.021 . 228 488 26 LEU HB2 H 1.79 0.022 . 229 488 26 LEU HB3 H 1.79 0.022 . 230 488 26 LEU HG H 1.36 0.021 . 231 488 26 LEU HD1 H 0.80 0.022 . 232 488 26 LEU HD2 H 0.80 0.022 . 233 488 26 LEU C C 176.86 0.301 . 234 488 26 LEU CA C 57.71 0.301 . 235 488 26 LEU CB C 41.37 0.301 . 236 488 26 LEU CG C 26.36 0.301 . 237 488 26 LEU CD1 C 22.30 0.302 . 238 488 26 LEU CD2 C 22.30 0.302 . 239 488 26 LEU N N 118.84 0.301 . 240 489 27 ASN H H 7.90 0.021 . 241 489 27 ASN HA H 4.46 0.021 . 242 489 27 ASN HB2 H 2.75 0.022 . 243 489 27 ASN HB3 H 2.32 0.022 . 244 489 27 ASN C C 173.84 0.301 . 245 489 27 ASN CA C 54.93 0.301 . 246 489 27 ASN CB C 39.80 0.301 . 247 489 27 ASN N N 116.19 0.301 . 248 490 28 TYR H H 7.72 0.021 . 249 490 28 TYR HA H 4.76 0.021 . 250 490 28 TYR HB2 H 2.63 0.022 . 251 490 28 TYR HB3 H 3.20 0.022 . 252 490 28 TYR HD1 H 7.34 0.023 . 253 490 28 TYR HE1 H 6.85 0.023 . 254 490 28 TYR C C 175.75 0.301 . 255 490 28 TYR CA C 60.49 0.301 . 256 490 28 TYR CB C 41.62 0.301 . 257 490 28 TYR CD1 C 132.61 0.303 . 258 490 28 TYR CE1 C 118.36 0.303 . 259 490 28 TYR N N 114.46 0.301 . 260 491 29 TYR H H 8.82 0.021 . 261 491 29 TYR HA H 4.20 0.021 . 262 491 29 TYR HB2 H 2.14 0.022 . 263 491 29 TYR HB3 H 2.41 0.022 . 264 491 29 TYR HD1 H 6.85 0.023 . 265 491 29 TYR HE1 H 7.34 0.023 . 266 491 29 TYR C C 173.12 0.301 . 267 491 29 TYR CA C 62.70 0.301 . 268 491 29 TYR CB C 36.73 0.301 . 269 491 29 TYR CD1 C 132.51 0.303 . 270 491 29 TYR CE1 C 117.81 0.303 . 271 491 29 TYR N N 123.50 0.301 . 272 492 30 GLU H H 7.84 0.021 . 273 492 30 GLU HA H 4.17 0.021 . 274 492 30 GLU HB2 H 2.00 0.022 . 275 492 30 GLU HB3 H 2.00 0.022 . 276 492 30 GLU HG2 H 2.45 0.022 . 277 492 30 GLU HG3 H 2.45 0.022 . 278 492 30 GLU C C 174.76 0.301 . 279 492 30 GLU CA C 56.51 0.301 . 280 492 30 GLU CB C 29.31 0.301 . 281 492 30 GLU CG C 37.10 0.301 . 282 492 30 GLU N N 113.73 0.301 . 283 493 31 SER H H 8.02 0.021 . 284 493 31 SER HA H 4.13 0.021 . 285 493 31 SER HB2 H 3.94 0.022 . 286 493 31 SER HB3 H 3.94 0.022 . 287 493 31 SER C C 170.78 0.301 . 288 493 31 SER CA C 60.87 0.301 . 289 493 31 SER CB C 64.02 0.301 . 290 493 31 SER N N 114.94 0.301 . 291 494 32 VAL H H 7.03 0.021 . 292 494 32 VAL HA H 4.47 0.021 . 293 494 32 VAL HB H 1.60 0.021 . 294 494 32 VAL HG1 H 0.31 0.022 . 295 494 32 VAL HG2 H 0.37 0.022 . 296 494 32 VAL C C 170.53 0.301 . 297 494 32 VAL CA C 59.52 0.301 . 298 494 32 VAL CB C 35.37 0.301 . 299 494 32 VAL CG1 C 21.83 0.302 . 300 494 32 VAL CG2 C 21.66 0.302 . 301 494 32 VAL N N 115.13 0.301 . 302 495 33 ASP H H 7.18 0.021 . 303 495 33 ASP HA H 4.74 0.021 . 304 495 33 ASP HB2 H 2.53 0.022 . 305 495 33 ASP HB3 H 2.36 0.022 . 306 495 33 ASP C C 174.94 0.301 . 307 495 33 ASP CA C 52.88 0.301 . 308 495 33 ASP CB C 43.00 0.301 . 309 495 33 ASP N N 122.93 0.301 . 310 496 34 LYS H H 9.10 0.021 . 311 496 34 LYS HA H 4.10 0.021 . 312 496 34 LYS HB2 H 1.92 0.022 . 313 496 34 LYS HB3 H 1.92 0.022 . 314 496 34 LYS HG2 H 1.45 0.022 . 315 496 34 LYS HG3 H 1.45 0.022 . 316 496 34 LYS HD2 H 1.65 0.022 . 317 496 34 LYS HD3 H 1.65 0.022 . 318 496 34 LYS HE2 H 2.93 0.022 . 319 496 34 LYS HE3 H 2.93 0.022 . 320 496 34 LYS C C 173.87 0.301 . 321 496 34 LYS CA C 59.42 0.301 . 322 496 34 LYS CB C 31.86 0.301 . 323 496 34 LYS CG C 24.11 0.301 . 324 496 34 LYS CD C 29.71 0.301 . 325 496 34 LYS CE C 41.68 0.301 . 326 496 34 LYS N N 126.69 0.301 . 327 497 35 ASP H H 8.56 0.021 . 328 497 35 ASP HA H 4.55 0.021 . 329 497 35 ASP HB2 H 2.55 0.022 . 330 497 35 ASP HB3 H 2.55 0.022 . 331 497 35 ASP C C 171.34 0.301 . 332 497 35 ASP CA C 56.06 0.301 . 333 497 35 ASP CB C 40.08 0.301 . 334 497 35 ASP N N 117.83 0.301 . 335 498 36 ASN H H 8.27 0.021 . 336 498 36 ASN HA H 4.52 0.021 . 337 498 36 ASN HB2 H 2.55 0.022 . 338 498 36 ASN HB3 H 2.62 0.022 . 339 498 36 ASN C C 173.08 0.301 . 340 498 36 ASN CA C 53.23 0.301 . 341 498 36 ASN CB C 38.19 0.301 . 342 498 36 ASN N N 117.66 0.301 . 343 499 37 PHE H H 7.35 0.021 . 344 499 37 PHE HA H 3.81 0.021 . 345 499 37 PHE HB2 H 2.33 0.022 . 346 499 37 PHE HB3 H 2.70 0.022 . 347 499 37 PHE HD1 H 7.27 0.023 . 348 499 37 PHE HE1 H 6.84 0.023 . 349 499 37 PHE HZ H 6.50 0.021 . 350 499 37 PHE CA C 60.18 0.301 . 351 499 37 PHE CB C 39.59 0.301 . 352 499 37 PHE CD1 C 132.51 0.303 . 353 499 37 PHE CE1 C 132.51 0.303 . 354 499 37 PHE CZ C 131.47 0.301 . 355 499 37 PHE N N 118.73 0.301 . 356 500 38 THR HA H 4.14 0.021 . 357 500 38 THR HB H 4.01 0.021 . 358 500 38 THR HG2 H 1.15 0.021 . 359 500 38 THR C C 172.90 0.301 . 360 500 38 THR CA C 63.53 0.301 . 361 500 38 THR CB C 69.75 0.301 . 362 500 38 THR CG2 C 22.55 0.301 . 363 501 39 ASN H H 9.35 0.021 . 364 501 39 ASN HA H 4.67 0.021 . 365 501 39 ASN HB2 H 2.71 0.022 . 366 501 39 ASN HB3 H 2.71 0.022 . 367 501 39 ASN C C 173.12 0.301 . 368 501 39 ASN CA C 53.22 0.301 . 369 501 39 ASN CB C 40.05 0.301 . 370 501 39 ASN N N 126.76 0.301 . 371 502 40 GLN H H 8.84 0.021 . 372 502 40 GLN HA H 3.68 0.021 . 373 502 40 GLN HB2 H 1.78 0.022 . 374 502 40 GLN HB3 H 1.78 0.022 . 375 502 40 GLN HG2 H 2.06 0.022 . 376 502 40 GLN HG3 H 2.01 0.022 . 377 502 40 GLN C C 174.65 0.301 . 378 502 40 GLN CA C 58.38 0.301 . 379 502 40 GLN CB C 28.53 0.301 . 380 502 40 GLN CG C 33.70 0.301 . 381 502 40 GLN N N 126.52 0.301 . 382 503 41 HIS H H 7.71 0.021 . 383 503 41 HIS HA H 4.37 0.021 . 384 503 41 HIS HB2 H 3.17 0.022 . 385 503 41 HIS HB3 H 3.17 0.022 . 386 503 41 HIS C C 175.84 0.301 . 387 503 41 HIS CA C 59.23 0.301 . 388 503 41 HIS CB C 30.49 0.301 . 389 503 41 HIS N N 118.55 0.301 . 390 504 42 PHE H H 8.34 0.021 . 391 504 42 PHE HA H 4.42 0.021 . 392 504 42 PHE HB2 H 3.24 0.022 . 393 504 42 PHE HB3 H 3.61 0.022 . 394 504 42 PHE HD1 H 7.30 0.023 . 395 504 42 PHE C C 174.65 0.301 . 396 504 42 PHE CA C 56.55 0.301 . 397 504 42 PHE CB C 35.83 0.301 . 398 504 42 PHE N N 119.54 0.301 . 399 505 43 LYS H H 8.27 0.021 . 400 505 43 LYS HA H 3.87 0.021 . 401 505 43 LYS HB2 H 1.81 0.022 . 402 505 43 LYS HB3 H 1.81 0.022 . 403 505 43 LYS HD2 H 1.62 0.022 . 404 505 43 LYS HD3 H 1.62 0.022 . 405 505 43 LYS HE2 H 3.01 0.022 . 406 505 43 LYS HE3 H 3.01 0.022 . 407 505 43 LYS C C 176.20 0.301 . 408 505 43 LYS CA C 60.16 0.301 . 409 505 43 LYS CB C 32.72 0.301 . 410 505 43 LYS CG C 24.36 0.301 . 411 505 43 LYS CD C 30.37 0.301 . 412 505 43 LYS CE C 41.79 0.301 . 413 505 43 LYS N N 121.33 0.301 . 414 506 44 TYR H H 7.68 0.021 . 415 506 44 TYR HA H 4.49 0.021 . 416 506 44 TYR HB2 H 2.58 0.022 . 417 506 44 TYR HB3 H 3.19 0.022 . 418 506 44 TYR HD1 H 7.11 0.023 . 419 506 44 TYR HE1 H 6.78 0.023 . 420 506 44 TYR C C 176.61 0.301 . 421 506 44 TYR CA C 59.75 0.301 . 422 506 44 TYR CB C 37.87 0.301 . 423 506 44 TYR CD1 C 131.28 0.303 . 424 506 44 TYR CE1 C 117.47 0.303 . 425 506 44 TYR N N 117.05 0.301 . 426 507 45 VAL H H 8.33 0.021 . 427 507 45 VAL HA H 3.87 0.021 . 428 507 45 VAL C C 171.39 0.301 . 429 507 45 VAL CA C 67.13 0.301 . 430 507 45 VAL CB C 29.61 0.301 . 431 507 45 VAL CG1 C 24.12 0.302 . 432 507 45 VAL CG2 C 22.71 0.302 . 433 507 45 VAL N N 120.10 0.301 . 434 508 46 PHE H H 8.31 0.021 . 435 508 46 PHE HA H 4.11 0.021 . 436 508 46 PHE HB2 H 2.02 0.022 . 437 508 46 PHE HB3 H 3.20 0.022 . 438 508 46 PHE HD1 H 6.39 0.023 . 439 508 46 PHE C C 175.35 0.301 . 440 508 46 PHE CA C 61.62 0.301 . 441 508 46 PHE CB C 39.02 0.301 . 442 508 46 PHE N N 120.32 0.301 . 443 509 47 GLU H H 7.90 0.021 . 444 509 47 GLU HA H 3.84 0.021 . 445 509 47 GLU HB2 H 2.05 0.022 . 446 509 47 GLU HB3 H 2.08 0.022 . 447 509 47 GLU HG2 H 2.29 0.022 . 448 509 47 GLU HG3 H 2.29 0.022 . 449 509 47 GLU C C 177.00 0.301 . 450 509 47 GLU CA C 60.33 0.301 . 451 509 47 GLU CB C 30.23 0.301 . 452 509 47 GLU CG C 37.20 0.301 . 453 509 47 GLU N N 117.75 0.301 . 454 510 48 VAL H H 8.47 0.021 . 455 510 48 VAL HA H 3.87 0.021 . 456 510 48 VAL HB H 2.22 0.021 . 457 510 48 VAL HG1 H 0.80 0.022 . 458 510 48 VAL HG2 H 1.00 0.022 . 459 510 48 VAL C C 175.40 0.301 . 460 510 48 VAL CA C 65.64 0.301 . 461 510 48 VAL CB C 31.36 0.301 . 462 510 48 VAL CG1 C 20.67 0.302 . 463 510 48 VAL CG2 C 23.87 0.302 . 464 510 48 VAL N N 121.30 0.301 . 465 511 49 LEU H H 8.39 0.021 . 466 511 49 LEU HA H 3.95 0.021 . 467 511 49 LEU HB2 H 1.89 0.022 . 468 511 49 LEU HB3 H 1.89 0.022 . 469 511 49 LEU HG H 1.93 0.021 . 470 511 49 LEU HD1 H 0.96 0.022 . 471 511 49 LEU HD2 H 0.96 0.022 . 472 511 49 LEU C C 175.33 0.301 . 473 511 49 LEU CA C 57.83 0.301 . 474 511 49 LEU CB C 41.80 0.301 . 475 511 49 LEU CG C 26.38 0.301 . 476 511 49 LEU CD1 C 24.32 0.302 . 477 511 49 LEU CD2 C 24.32 0.302 . 478 511 49 LEU N N 119.32 0.301 . 479 512 50 HIS H H 7.39 0.021 . 480 512 50 HIS HA H 3.96 0.021 . 481 512 50 HIS HB2 H 3.19 0.022 . 482 512 50 HIS HB3 H 3.29 0.022 . 483 512 50 HIS HD2 H 6.83 0.021 . 484 512 50 HIS C C 174.50 0.301 . 485 512 50 HIS CA C 60.20 0.301 . 486 512 50 HIS CB C 28.51 0.301 . 487 512 50 HIS N N 115.27 0.301 . 488 513 51 ASP H H 7.17 0.021 . 489 513 51 ASP HA H 4.27 0.021 . 490 513 51 ASP HB2 H 2.76 0.022 . 491 513 51 ASP HB3 H 2.76 0.022 . 492 513 51 ASP C C 175.15 0.301 . 493 513 51 ASP CA C 57.03 0.301 . 494 513 51 ASP CB C 40.38 0.301 . 495 513 51 ASP N N 119.82 0.301 . 496 514 52 PHE H H 8.81 0.021 . 497 514 52 PHE HA H 4.03 0.021 . 498 514 52 PHE HB2 H 2.96 0.022 . 499 514 52 PHE HB3 H 2.96 0.022 . 500 514 52 PHE HD1 H 6.95 0.023 . 501 514 52 PHE C C 176.39 0.301 . 502 514 52 PHE CA C 61.93 0.301 . 503 514 52 PHE CB C 39.69 0.301 . 504 514 52 PHE N N 119.80 0.301 . 505 515 53 TYR H H 8.37 0.021 . 506 515 53 TYR HA H 4.73 0.021 . 507 515 53 TYR HB2 H 2.25 0.022 . 508 515 53 TYR HB3 H 2.25 0.022 . 509 515 53 TYR HD1 H 6.33 0.023 . 510 515 53 TYR C C 173.86 0.301 . 511 515 53 TYR CA C 59.24 0.301 . 512 515 53 TYR CB C 37.28 0.301 . 513 515 53 TYR N N 117.94 0.301 . 514 516 54 ALA H H 7.11 0.021 . 515 516 54 ALA HA H 4.07 0.021 . 516 516 54 ALA HB H 1.43 0.021 . 517 516 54 ALA C C 176.62 0.301 . 518 516 54 ALA CA C 54.50 0.301 . 519 516 54 ALA CB C 18.21 0.301 . 520 516 54 ALA N N 120.49 0.301 . 521 517 55 GLU H H 6.78 0.021 . 522 517 55 GLU HA H 4.40 0.021 . 523 517 55 GLU HB2 H 1.66 0.022 . 524 517 55 GLU HB3 H 1.69 0.022 . 525 517 55 GLU HG2 H 2.03 0.022 . 526 517 55 GLU HG3 H 2.03 0.022 . 527 517 55 GLU C C 171.66 0.301 . 528 517 55 GLU CA C 55.25 0.301 . 529 517 55 GLU CB C 32.30 0.301 . 530 517 55 GLU CG C 35.89 0.301 . 531 517 55 GLU N N 111.79 0.301 . 532 518 56 ASN H H 7.22 0.021 . 533 518 56 ASN HA H 4.39 0.021 . 534 518 56 ASN HB2 H 2.99 0.022 . 535 518 56 ASN HB3 H 2.99 0.022 . 536 518 56 ASN C C 176.12 0.301 . 537 518 56 ASN CA C 52.48 0.301 . 538 518 56 ASN CB C 43.30 0.301 . 539 518 56 ASN N N 117.18 0.301 . 540 519 57 ASP H H 8.48 0.021 . 541 519 57 ASP HA H 4.06 0.021 . 542 519 57 ASP HB2 H 2.71 0.022 . 543 519 57 ASP HB3 H 2.71 0.022 . 544 519 57 ASP C C 172.78 0.301 . 545 519 57 ASP CA C 55.62 0.301 . 546 519 57 ASP CB C 42.34 0.301 . 547 519 57 ASP N N 118.05 0.301 . 548 520 58 GLN H H 7.78 0.021 . 549 520 58 GLN HA H 4.76 0.021 . 550 520 58 GLN HB2 H 1.93 0.022 . 551 520 58 GLN HB3 H 2.01 0.022 . 552 520 58 GLN HG2 H 2.30 0.022 . 553 520 58 GLN HG3 H 2.30 0.022 . 554 520 58 GLN C C 171.92 0.301 . 555 520 58 GLN CA C 54.61 0.301 . 556 520 58 GLN CB C 31.46 0.301 . 557 520 58 GLN CG C 33.43 0.301 . 558 520 58 GLN N N 116.73 0.301 . 559 521 59 TYR H H 9.73 0.021 . 560 521 59 TYR HA H 3.87 0.021 . 561 521 59 TYR HB2 H 2.44 0.022 . 562 521 59 TYR HB3 H 3.08 0.022 . 563 521 59 TYR HD1 H 6.07 0.023 . 564 521 59 TYR HE1 H 6.66 0.023 . 565 521 59 TYR C C 172.36 0.301 . 566 521 59 TYR CA C 60.74 0.301 . 567 521 59 TYR CB C 38.15 0.301 . 568 521 59 TYR CD1 C 130.78 0.303 . 569 521 59 TYR CE1 C 117.20 0.303 . 570 521 59 TYR N N 126.67 0.301 . 571 522 60 ASN H H 5.53 0.021 . 572 522 60 ASN HA H 4.37 0.021 . 573 522 60 ASN HB2 H 2.53 0.022 . 574 522 60 ASN HB3 H 2.68 0.022 . 575 522 60 ASN C C 171.99 0.301 . 576 522 60 ASN CA C 52.72 0.301 . 577 522 60 ASN CB C 41.92 0.301 . 578 522 60 ASN N N 122.62 0.301 . 579 523 61 ILE H H 9.01 0.021 . 580 523 61 ILE HA H 3.75 0.021 . 581 523 61 ILE HB H 1.72 0.021 . 582 523 61 ILE HG12 H 1.19 0.022 . 583 523 61 ILE HG13 H 1.13 0.022 . 584 523 61 ILE HG2 H 0.82 0.021 . 585 523 61 ILE HD1 H 0.69 0.021 . 586 523 61 ILE C C 172.00 0.301 . 587 523 61 ILE CA C 62.52 0.301 . 588 523 61 ILE CB C 37.44 0.301 . 589 523 61 ILE CG1 C 29.36 0.301 . 590 523 61 ILE CG2 C 17.39 0.301 . 591 523 61 ILE CD1 C 14.91 0.301 . 592 523 61 ILE N N 125.43 0.301 . 593 524 62 SER H H 7.77 0.021 . 594 524 62 SER HA H 3.95 0.021 . 595 524 62 SER HB2 H 3.74 0.022 . 596 524 62 SER HB3 H 3.74 0.022 . 597 524 62 SER C C 173.73 0.301 . 598 524 62 SER CA C 61.74 0.301 . 599 524 62 SER CB C 62.42 0.301 . 600 524 62 SER N N 117.21 0.301 . 601 525 63 ASP H H 7.59 0.021 . 602 525 63 ASP HA H 4.64 0.021 . 603 525 63 ASP HB2 H 2.58 0.022 . 604 525 63 ASP HB3 H 2.73 0.022 . 605 525 63 ASP C C 175.70 0.301 . 606 525 63 ASP CA C 56.22 0.301 . 607 525 63 ASP CB C 41.73 0.301 . 608 525 63 ASP N N 118.59 0.301 . 609 526 64 ALA H H 7.88 0.021 . 610 526 64 ALA HA H 3.94 0.021 . 611 526 64 ALA HB H 0.76 0.021 . 612 526 64 ALA C C 176.98 0.301 . 613 526 64 ALA CA C 55.41 0.301 . 614 526 64 ALA CB C 19.27 0.301 . 615 526 64 ALA N N 122.76 0.301 . 616 527 65 VAL H H 7.89 0.021 . 617 527 65 VAL HA H 3.75 0.021 . 618 527 65 VAL HB H 2.12 0.021 . 619 527 65 VAL HG1 H 0.93 0.022 . 620 527 65 VAL HG2 H 0.93 0.022 . 621 527 65 VAL C C 174.56 0.301 . 622 527 65 VAL CA C 65.30 0.301 . 623 527 65 VAL CB C 31.50 0.301 . 624 527 65 VAL CG1 C 21.41 0.302 . 625 527 65 VAL CG2 C 20.35 0.302 . 626 527 65 VAL N N 110.77 0.301 . 627 528 66 GLN H H 7.26 0.021 . 628 528 66 GLN HA H 4.15 0.021 . 629 528 66 GLN HB2 H 1.93 0.022 . 630 528 66 GLN HB3 H 1.99 0.022 . 631 528 66 GLN HG2 H 2.25 0.022 . 632 528 66 GLN HG3 H 2.25 0.022 . 633 528 66 GLN C C 173.89 0.301 . 634 528 66 GLN CA C 57.13 0.301 . 635 528 66 GLN CB C 28.48 0.301 . 636 528 66 GLN CG C 33.89 0.301 . 637 528 66 GLN N N 116.52 0.301 . 638 529 67 TYR H H 7.96 0.021 . 639 529 67 TYR HA H 4.19 0.021 . 640 529 67 TYR HB2 H 3.16 0.022 . 641 529 67 TYR HB3 H 3.24 0.022 . 642 529 67 TYR HD1 H 6.91 0.023 . 643 529 67 TYR HE1 H 6.61 0.023 . 644 529 67 TYR C C 172.77 0.301 . 645 529 67 TYR CA C 59.55 0.301 . 646 529 67 TYR CB C 39.08 0.301 . 647 529 67 TYR CD1 C 133.08 0.303 . 648 529 67 TYR CE1 C 117.40 0.303 . 649 529 67 TYR N N 117.19 0.301 . 650 530 68 VAL H H 7.22 0.021 . 651 530 68 VAL HA H 4.44 0.021 . 652 530 68 VAL HB H 2.14 0.021 . 653 530 68 VAL HG1 H 0.87 0.022 . 654 530 68 VAL HG2 H 0.92 0.022 . 655 530 68 VAL CA C 60.31 0.301 . 656 530 68 VAL CB C 33.66 0.301 . 657 530 68 VAL CG1 C 19.71 0.302 . 658 530 68 VAL CG2 C 22.69 0.302 . 659 530 68 VAL N N 112.14 0.301 . 660 531 69 ASN H H 6.71 0.021 . 661 531 69 ASN HA H 4.84 0.021 . 662 531 69 ASN HB2 H 2.79 0.022 . 663 531 69 ASN HB3 H 2.97 0.022 . 664 531 69 ASN C C 172.19 0.301 . 665 531 69 ASN CA C 53.05 0.301 . 666 531 69 ASN CB C 41.30 0.301 . 667 531 69 ASN N N 113.23 0.301 . 668 532 70 SER H H 7.18 0.021 . 669 532 70 SER HA H 4.71 0.021 . 670 532 70 SER HB2 H 3.66 0.022 . 671 532 70 SER HB3 H 4.09 0.022 . 672 532 70 SER CA C 56.22 0.301 . 673 532 70 SER CB C 65.82 0.301 . 674 532 70 SER N N 111.83 0.301 . 675 533 71 ASN H H 8.37 0.021 . 676 533 71 ASN HA H 4.28 0.021 . 677 533 71 ASN HB2 H 2.70 0.022 . 678 533 71 ASN HB3 H 2.70 0.022 . 679 533 71 ASN C C 174.53 0.301 . 680 533 71 ASN CA C 56.55 0.301 . 681 533 71 ASN CB C 38.06 0.301 . 682 533 71 ASN N N 118.24 0.301 . 683 534 72 GLU H H 8.89 0.021 . 684 534 72 GLU HA H 3.97 0.021 . 685 534 72 GLU HB2 H 2.08 0.022 . 686 534 72 GLU HB3 H 2.08 0.022 . 687 534 72 GLU HG2 H 2.56 0.022 . 688 534 72 GLU HG3 H 2.56 0.022 . 689 534 72 GLU C C 176.62 0.301 . 690 534 72 GLU CA C 60.01 0.301 . 691 534 72 GLU CB C 28.89 0.301 . 692 534 72 GLU CG C 36.96 0.301 . 693 534 72 GLU N N 119.37 0.301 . 694 535 73 LEU H H 7.57 0.021 . 695 535 73 LEU HA H 4.11 0.021 . 696 535 73 LEU HB2 H 1.55 0.022 . 697 535 73 LEU HB3 H 1.55 0.022 . 698 535 73 LEU HG H 1.55 0.021 . 699 535 73 LEU HD1 H 0.80 0.022 . 700 535 73 LEU HD2 H 0.80 0.022 . 701 535 73 LEU CA C 56.82 0.301 . 702 535 73 LEU CB C 41.84 0.301 . 703 535 73 LEU CG C 25.53 0.301 . 704 535 73 LEU CD1 C 23.24 0.302 . 705 535 73 LEU CD2 C 23.24 0.302 . 706 535 73 LEU N N 120.87 0.301 . 707 537 75 GLU C C 177.11 0.301 . 708 537 75 GLU CA C 59.68 0.301 . 709 537 75 GLU CB C 29.07 0.301 . 710 537 75 GLU CG C 36.52 0.301 . 711 538 76 THR H H 7.76 0.021 . 712 538 76 THR HA H 3.87 0.021 . 713 538 76 THR HB H 4.25 0.021 . 714 538 76 THR HG2 H 1.19 0.021 . 715 538 76 THR C C 173.96 0.301 . 716 538 76 THR CA C 67.17 0.301 . 717 538 76 THR CB C 67.74 0.301 . 718 538 76 THR CG2 C 22.02 0.301 . 719 538 76 THR N N 118.30 0.301 . 720 539 77 LEU H H 8.18 0.021 . 721 539 77 LEU HA H 3.96 0.021 . 722 539 77 LEU HB2 H 1.91 0.022 . 723 539 77 LEU HB3 H 1.91 0.022 . 724 539 77 LEU HG H 1.91 0.021 . 725 539 77 LEU C C 177.22 0.301 . 726 539 77 LEU CA C 58.87 0.301 . 727 539 77 LEU CB C 41.33 0.301 . 728 539 77 LEU CG C 26.41 0.301 . 729 539 77 LEU N N 121.86 0.301 . 730 540 78 ILE H H 8.26 0.021 . 731 540 78 ILE HA H 3.49 0.021 . 732 540 78 ILE HB H 1.78 0.021 . 733 540 78 ILE HG12 H 0.93 0.022 . 734 540 78 ILE HG13 H 1.59 0.022 . 735 540 78 ILE HG2 H 0.76 0.021 . 736 540 78 ILE HD1 H 0.67 0.021 . 737 540 78 ILE C C 175.67 0.301 . 738 540 78 ILE CA C 65.44 0.301 . 739 540 78 ILE CB C 37.82 0.301 . 740 540 78 ILE CG1 C 28.86 0.301 . 741 540 78 ILE CG2 C 17.02 0.301 . 742 540 78 ILE CD1 C 13.40 0.301 . 743 540 78 ILE N N 122.04 0.301 . 744 541 79 SER H H 8.22 0.021 . 745 541 79 SER HA H 4.04 0.021 . 746 541 79 SER HB2 H 3.83 0.022 . 747 541 79 SER HB3 H 3.90 0.022 . 748 541 79 SER C C 175.53 0.301 . 749 541 79 SER CA C 62.00 0.301 . 750 541 79 SER CB C 62.71 0.301 . 751 541 79 SER N N 117.18 0.301 . 752 542 80 LEU H H 8.10 0.021 . 753 542 80 LEU HA H 3.97 0.021 . 754 542 80 LEU HB2 H 1.92 0.022 . 755 542 80 LEU HB3 H 1.92 0.022 . 756 542 80 LEU HG H 1.92 0.021 . 757 542 80 LEU HD1 H 0.73 0.022 . 758 542 80 LEU HD2 H 0.73 0.022 . 759 542 80 LEU CA C 57.75 0.301 . 760 542 80 LEU CB C 42.16 0.301 . 761 542 80 LEU N N 122.27 0.301 . 762 543 81 GLU H H 7.87 0.021 . 763 543 81 GLU HA H 3.87 0.021 . 764 543 81 GLU HB2 H 2.17 0.022 . 765 543 81 GLU HB3 H 2.17 0.022 . 766 543 81 GLU HG2 H 2.17 0.022 . 767 543 81 GLU HG3 H 2.17 0.022 . 768 543 81 GLU C C 174.79 0.301 . 769 543 81 GLU CA C 58.45 0.301 . 770 543 81 GLU CB C 29.47 0.301 . 771 543 81 GLU CG C 35.21 0.301 . 772 543 81 GLU N N 120.44 0.301 . 773 544 82 GLN H H 7.41 0.021 . 774 544 82 GLN HA H 4.03 0.021 . 775 544 82 GLN HB2 H 2.00 0.022 . 776 544 82 GLN HB3 H 2.10 0.022 . 777 544 82 GLN HG2 H 2.32 0.022 . 778 544 82 GLN HG3 H 2.32 0.022 . 779 544 82 GLN C C 173.17 0.301 . 780 544 82 GLN CA C 56.30 0.301 . 781 544 82 GLN CB C 29.02 0.301 . 782 544 82 GLN CG C 34.22 0.301 . 783 544 82 GLN N N 114.07 0.301 . 784 545 83 TYR H H 7.27 0.021 . 785 545 83 TYR HA H 4.29 0.021 . 786 545 83 TYR HB2 H 2.69 0.022 . 787 545 83 TYR HB3 H 2.69 0.022 . 788 545 83 TYR HD1 H 6.71 0.023 . 789 545 83 TYR C C 170.27 0.301 . 790 545 83 TYR CA C 58.36 0.301 . 791 545 83 TYR CB C 38.98 0.301 . 792 545 83 TYR N N 121.64 0.301 . 793 546 84 ASN H H 7.61 0.021 . 794 546 84 ASN HA H 4.47 0.021 . 795 546 84 ASN HB2 H 2.30 0.022 . 796 546 84 ASN HB3 H 2.56 0.022 . 797 546 84 ASN C C 171.94 0.301 . 798 546 84 ASN CA C 51.20 0.301 . 799 546 84 ASN CB C 40.55 0.301 . 800 546 84 ASN N N 125.24 0.301 . 801 547 85 LEU H H 8.18 0.021 . 802 547 85 LEU HA H 3.79 0.021 . 803 547 85 LEU HB2 H 1.35 0.022 . 804 547 85 LEU HB3 H 1.35 0.022 . 805 547 85 LEU HG H 1.35 0.021 . 806 547 85 LEU HD1 H 0.32 0.022 . 807 547 85 LEU HD2 H 0.63 0.022 . 808 547 85 LEU C C 175.49 0.301 . 809 547 85 LEU CA C 56.40 0.301 . 810 547 85 LEU CB C 42.23 0.301 . 811 547 85 LEU CG C 27.11 0.301 . 812 547 85 LEU CD1 C 23.50 0.302 . 813 547 85 LEU CD2 C 23.50 0.302 . 814 547 85 LEU N N 123.59 0.301 . 815 548 86 ASN H H 8.40 0.021 . 816 548 86 ASN HA H 4.46 0.021 . 817 548 86 ASN HB2 H 2.63 0.022 . 818 548 86 ASN HB3 H 2.63 0.022 . 819 548 86 ASN C C 172.53 0.301 . 820 548 86 ASN CA C 54.55 0.301 . 821 548 86 ASN CB C 38.05 0.301 . 822 548 86 ASN N N 117.23 0.301 . 823 549 87 ASP H H 7.89 0.021 . 824 549 87 ASP HA H 4.47 0.021 . 825 549 87 ASP HB2 H 2.63 0.022 . 826 549 87 ASP HB3 H 2.63 0.022 . 827 549 87 ASP C C 174.14 0.301 . 828 549 87 ASP CA C 54.95 0.301 . 829 549 87 ASP CB C 40.73 0.301 . 830 549 87 ASP N N 118.74 0.301 . 831 550 88 GLU H H 7.56 0.021 . 832 550 88 GLU HA H 4.38 0.021 . 833 550 88 GLU CA C 54.23 0.301 . 834 550 88 GLU CB C 29.92 0.301 . 835 550 88 GLU N N 120.32 0.301 . 836 552 90 TYR HA H 4.48 0.021 . 837 552 90 TYR HB2 H 2.97 0.022 . 838 552 90 TYR HB3 H 2.97 0.022 . 839 552 90 TYR C C 173.07 0.301 . 840 552 90 TYR CA C 58.04 0.301 . 841 552 90 TYR CB C 38.95 0.301 . 842 553 91 GLU H H 8.64 0.021 . 843 553 91 GLU HA H 4.07 0.021 . 844 553 91 GLU HB2 H 1.85 0.022 . 845 553 91 GLU HB3 H 1.88 0.022 . 846 553 91 GLU HG2 H 2.11 0.022 . 847 553 91 GLU HG3 H 2.11 0.022 . 848 553 91 GLU C C 173.40 0.301 . 849 553 91 GLU CA C 57.28 0.301 . 850 553 91 GLU CB C 29.37 0.301 . 851 553 91 GLU CG C 36.32 0.301 . 852 553 91 GLU N N 119.85 0.301 . 853 554 92 ASN H H 7.78 0.021 . 854 554 92 ASN HA H 4.16 0.021 . 855 554 92 ASN HB2 H 2.70 0.022 . 856 554 92 ASN HB3 H 2.70 0.022 . 857 554 92 ASN C C 174.66 0.301 . 858 554 92 ASN CA C 53.36 0.301 . 859 554 92 ASN CB C 39.81 0.301 . 860 554 92 ASN N N 119.35 0.301 . 861 555 93 GLU H H 8.56 0.021 . 862 555 93 GLU HA H 4.60 0.021 . 863 555 93 GLU HB2 H 2.72 0.022 . 864 555 93 GLU HB3 H 2.72 0.022 . 865 555 93 GLU C C 174.66 0.301 . 866 555 93 GLU CA C 55.23 0.301 . 867 555 93 GLU CB C 39.34 0.301 . 868 555 93 GLU N N 121.11 0.301 . 869 556 94 ILE H H 8.53 0.021 . 870 556 94 ILE HA H 3.41 0.021 . 871 556 94 ILE HB H 1.02 0.021 . 872 556 94 ILE HG12 H 1.02 0.022 . 873 556 94 ILE HG13 H 0.23 0.022 . 874 556 94 ILE HG2 H 0.17 0.021 . 875 556 94 ILE HD1 H 0.24 0.021 . 876 556 94 ILE C C 174.45 0.301 . 877 556 94 ILE CA C 65.60 0.301 . 878 556 94 ILE CB C 39.41 0.301 . 879 556 94 ILE CG1 C 29.00 0.301 . 880 556 94 ILE CG2 C 16.38 0.301 . 881 556 94 ILE CD1 C 14.02 0.301 . 882 556 94 ILE N N 121.07 0.301 . 883 557 95 ASP H H 7.89 0.021 . 884 557 95 ASP HA H 4.12 0.021 . 885 557 95 ASP HB2 H 2.24 0.022 . 886 557 95 ASP HB3 H 2.50 0.022 . 887 557 95 ASP C C 174.72 0.301 . 888 557 95 ASP CA C 57.01 0.301 . 889 557 95 ASP CB C 40.88 0.301 . 890 557 95 ASP N N 116.85 0.301 . 891 558 96 ASP H H 7.40 0.021 . 892 558 96 ASP HA H 4.23 0.021 . 893 558 96 ASP HB2 H 2.30 0.022 . 894 558 96 ASP HB3 H 2.30 0.022 . 895 558 96 ASP C C 176.07 0.301 . 896 558 96 ASP CA C 57.39 0.301 . 897 558 96 ASP CB C 40.41 0.301 . 898 558 96 ASP N N 117.10 0.301 . 899 559 97 TYR H H 6.95 0.021 . 900 559 97 TYR HA H 4.21 0.021 . 901 559 97 TYR HB2 H 3.14 0.022 . 902 559 97 TYR HB3 H 3.22 0.022 . 903 559 97 TYR HD1 H 7.11 0.023 . 904 559 97 TYR HE1 H 6.73 0.023 . 905 559 97 TYR C C 175.00 0.301 . 906 559 97 TYR CA C 60.01 0.301 . 907 559 97 TYR CB C 37.41 0.301 . 908 559 97 TYR CD1 C 132.58 0.303 . 909 559 97 TYR CE1 C 117.84 0.303 . 910 559 97 TYR N N 118.51 0.301 . 911 560 98 VAL H H 7.57 0.021 . 912 560 98 VAL HA H 3.87 0.021 . 913 560 98 VAL HB H 2.22 0.021 . 914 560 98 VAL HG1 H 1.01 0.022 . 915 560 98 VAL HG2 H 0.80 0.022 . 916 560 98 VAL C C 174.15 0.301 . 917 560 98 VAL CA C 66.67 0.301 . 918 560 98 VAL CB C 31.13 0.301 . 919 560 98 VAL CG1 C 24.12 0.302 . 920 560 98 VAL CG2 C 21.73 0.302 . 921 560 98 VAL N N 119.29 0.301 . 922 561 99 ASN H H 7.64 0.021 . 923 561 99 ASN HA H 4.28 0.021 . 924 561 99 ASN HB2 H 2.70 0.022 . 925 561 99 ASN HB3 H 2.70 0.022 . 926 561 99 ASN C C 173.73 0.301 . 927 561 99 ASN CA C 56.04 0.301 . 928 561 99 ASN CB C 37.81 0.301 . 929 561 99 ASN N N 114.96 0.301 . 930 562 100 VAL H H 7.23 0.021 . 931 562 100 VAL HA H 3.60 0.021 . 932 562 100 VAL HB H 2.00 0.021 . 933 562 100 VAL HG1 H 0.92 0.022 . 934 562 100 VAL HG2 H 0.87 0.022 . 935 562 100 VAL C C 176.08 0.301 . 936 562 100 VAL CA C 66.25 0.301 . 937 562 100 VAL CB C 32.16 0.301 . 938 562 100 VAL CG1 C 22.37 0.302 . 939 562 100 VAL CG2 C 20.99 0.302 . 940 562 100 VAL N N 119.29 0.301 . 941 563 101 ILE H H 7.85 0.021 . 942 563 101 ILE HA H 3.53 0.021 . 943 563 101 ILE HB H 1.17 0.021 . 944 563 101 ILE HG12 H 0.45 0.022 . 945 563 101 ILE HG13 H 1.39 0.022 . 946 563 101 ILE HG2 H 0.06 0.021 . 947 563 101 ILE HD1 H -0.08 0.021 . 948 563 101 ILE C C 174.72 0.301 . 949 563 101 ILE CA C 64.47 0.301 . 950 563 101 ILE CB C 38.44 0.301 . 951 563 101 ILE CG1 C 28.26 0.301 . 952 563 101 ILE CG2 C 16.76 0.301 . 953 563 101 ILE CD1 C 13.92 0.301 . 954 563 101 ILE N N 121.62 0.301 . 955 564 102 ASN H H 7.88 0.021 . 956 564 102 ASN HA H 4.53 0.021 . 957 564 102 ASN HB2 H 2.49 0.022 . 958 564 102 ASN HB3 H 2.59 0.022 . 959 564 102 ASN C C 174.39 0.301 . 960 564 102 ASN CA C 53.64 0.301 . 961 564 102 ASN CB C 38.05 0.301 . 962 564 102 ASN N N 113.65 0.301 . 963 565 103 GLU H H 7.64 0.021 . 964 565 103 GLU HA H 4.01 0.021 . 965 565 103 GLU HB2 H 1.96 0.022 . 966 565 103 GLU HB3 H 1.96 0.022 . 967 565 103 GLU HG2 H 2.41 0.022 . 968 565 103 GLU HG3 H 2.41 0.022 . 969 565 103 GLU C C 175.02 0.301 . 970 565 103 GLU CA C 58.33 0.301 . 971 565 103 GLU CB C 29.88 0.301 . 972 565 103 GLU CG C 36.43 0.301 . 973 565 103 GLU N N 121.92 0.301 . 974 566 104 LYS H H 7.90 0.021 . 975 566 104 LYS HA H 4.27 0.021 . 976 566 104 LYS HB2 H 1.78 0.022 . 977 566 104 LYS HB3 H 1.94 0.022 . 978 566 104 LYS HE2 H 3.13 0.022 . 979 566 104 LYS HE3 H 3.13 0.022 . 980 566 104 LYS C C 174.81 0.301 . 981 566 104 LYS CA C 56.74 0.301 . 982 566 104 LYS CB C 32.21 0.301 . 983 566 104 LYS CG C 24.55 0.301 . 984 566 104 LYS CD C 28.96 0.301 . 985 566 104 LYS CE C 42.27 0.301 . 986 566 104 LYS N N 119.91 0.301 . 987 567 105 GLY H H 8.12 0.021 . 988 567 105 GLY HA2 H 3.90 0.022 . 989 567 105 GLY HA3 H 3.90 0.022 . 990 567 105 GLY C C 171.70 0.301 . 991 567 105 GLY CA C 45.62 0.301 . 992 567 105 GLY N N 108.23 0.301 . 993 568 106 GLN H H 7.97 0.021 . 994 568 106 GLN HA H 4.29 0.021 . 995 568 106 GLN HB2 H 2.02 0.022 . 996 568 106 GLN HB3 H 1.87 0.022 . 997 568 106 GLN HG2 H 2.24 0.022 . 998 568 106 GLN HG3 H 2.24 0.022 . 999 568 106 GLN C C 173.47 0.301 . 1000 568 106 GLN CA C 55.64 0.301 . 1001 568 106 GLN CB C 29.66 0.301 . 1002 568 106 GLN CG C 33.70 0.301 . 1003 568 106 GLN N N 119.17 0.301 . 1004 569 107 GLU H H 8.30 0.021 . 1005 569 107 GLU HA H 4.33 0.021 . 1006 569 107 GLU HB2 H 1.77 0.022 . 1007 569 107 GLU HB3 H 1.93 0.022 . 1008 569 107 GLU HG2 H 2.23 0.022 . 1009 569 107 GLU HG3 H 2.23 0.022 . 1010 569 107 GLU C C 173.96 0.301 . 1011 569 107 GLU CA C 56.36 0.301 . 1012 569 107 GLU CB C 30.48 0.301 . 1013 569 107 GLU CG C 35.64 0.301 . 1014 569 107 GLU N N 121.73 0.301 . 1015 570 108 THR H H 8.52 0.021 . 1016 570 108 THR HA H 4.42 0.021 . 1017 570 108 THR HB H 4.60 0.021 . 1018 570 108 THR HG2 H 1.21 0.021 . 1019 570 108 THR C C 172.63 0.301 . 1020 570 108 THR CA C 60.24 0.301 . 1021 570 108 THR CB C 71.84 0.301 . 1022 570 108 THR CG2 C 21.98 0.301 . 1023 570 108 THR N N 113.58 0.301 . 1024 571 109 ILE H H 8.78 0.021 . 1025 571 109 ILE HA H 3.78 0.021 . 1026 571 109 ILE HB H 1.78 0.021 . 1027 571 109 ILE HG12 H 1.21 0.022 . 1028 571 109 ILE HG13 H 1.42 0.022 . 1029 571 109 ILE HG2 H 0.83 0.021 . 1030 571 109 ILE HD1 H 0.76 0.021 . 1031 571 109 ILE C C 174.90 0.301 . 1032 571 109 ILE CA C 63.80 0.301 . 1033 571 109 ILE CB C 37.49 0.301 . 1034 571 109 ILE CG1 C 29.39 0.301 . 1035 571 109 ILE CG2 C 17.99 0.301 . 1036 571 109 ILE CD1 C 13.18 0.301 . 1037 571 109 ILE N N 121.07 0.301 . 1038 572 110 GLU H H 8.38 0.021 . 1039 572 110 GLU HA H 4.03 0.021 . 1040 572 110 GLU HB2 H 1.81 0.022 . 1041 572 110 GLU HB3 H 1.95 0.022 . 1042 572 110 GLU HG2 H 2.15 0.022 . 1043 572 110 GLU HG3 H 2.23 0.022 . 1044 572 110 GLU C C 176.54 0.301 . 1045 572 110 GLU CA C 60.22 0.301 . 1046 572 110 GLU CB C 29.10 0.301 . 1047 572 110 GLU CG C 36.71 0.301 . 1048 572 110 GLU N N 120.44 0.301 . 1049 573 111 SER H H 8.14 0.021 . 1050 573 111 SER HA H 4.17 0.021 . 1051 573 111 SER HB2 H 3.91 0.022 . 1052 573 111 SER HB3 H 3.91 0.022 . 1053 573 111 SER C C 174.97 0.301 . 1054 573 111 SER CA C 61.58 0.301 . 1055 573 111 SER CB C 62.59 0.301 . 1056 573 111 SER N N 117.71 0.301 . 1057 574 112 LEU H H 8.32 0.021 . 1058 574 112 LEU HA H 3.77 0.021 . 1059 574 112 LEU HB2 H 1.85 0.022 . 1060 574 112 LEU HB3 H 1.85 0.022 . 1061 574 112 LEU HG H 1.14 0.021 . 1062 574 112 LEU HD1 H 0.68 0.022 . 1063 574 112 LEU HD2 H 0.80 0.022 . 1064 574 112 LEU C C 176.15 0.301 . 1065 574 112 LEU CA C 58.08 0.301 . 1066 574 112 LEU CB C 42.88 0.301 . 1067 574 112 LEU CG C 27.26 0.301 . 1068 574 112 LEU CD1 C 23.52 0.302 . 1069 574 112 LEU CD2 C 25.90 0.302 . 1070 574 112 LEU N N 122.88 0.301 . 1071 575 113 ASN H H 8.38 0.021 . 1072 575 113 ASN HA H 4.26 0.021 . 1073 575 113 ASN HB2 H 2.55 0.022 . 1074 575 113 ASN HB3 H 2.77 0.022 . 1075 575 113 ASN C C 176.07 0.301 . 1076 575 113 ASN CA C 56.78 0.301 . 1077 575 113 ASN CB C 38.78 0.301 . 1078 575 113 ASN N N 117.92 0.301 . 1079 576 114 HIS H H 7.84 0.021 . 1080 576 114 HIS HA H 4.38 0.021 . 1081 576 114 HIS HB2 H 3.06 0.022 . 1082 576 114 HIS HB3 H 3.06 0.022 . 1083 576 114 HIS C C 175.26 0.301 . 1084 576 114 HIS CA C 61.27 0.301 . 1085 576 114 HIS CB C 29.85 0.301 . 1086 576 114 HIS N N 120.76 0.301 . 1087 577 115 LYS H H 8.18 0.021 . 1088 577 115 LYS HA H 3.62 0.021 . 1089 577 115 LYS HB2 H 0.69 0.022 . 1090 577 115 LYS HB3 H 1.94 0.022 . 1091 577 115 LYS HG2 H 1.39 0.022 . 1092 577 115 LYS HG3 H 1.39 0.022 . 1093 577 115 LYS HD2 H 1.52 0.022 . 1094 577 115 LYS HD3 H 1.52 0.022 . 1095 577 115 LYS HE2 H 2.99 0.022 . 1096 577 115 LYS HE3 H 2.99 0.022 . 1097 577 115 LYS C C 176.85 0.301 . 1098 577 115 LYS CA C 59.83 0.301 . 1099 577 115 LYS CB C 29.69 0.301 . 1100 577 115 LYS CG C 24.81 0.301 . 1101 577 115 LYS CD C 26.72 0.301 . 1102 577 115 LYS CE C 41.63 0.301 . 1103 577 115 LYS N N 116.38 0.301 . 1104 578 116 LEU H H 8.43 0.021 . 1105 578 116 LEU HA H 4.04 0.021 . 1106 578 116 LEU HB2 H 1.39 0.022 . 1107 578 116 LEU HB3 H 2.05 0.022 . 1108 578 116 LEU C C 176.66 0.301 . 1109 578 116 LEU CA C 58.30 0.301 . 1110 578 116 LEU CB C 41.73 0.301 . 1111 578 116 LEU CG C 26.98 0.301 . 1112 578 116 LEU CD1 C 24.50 0.302 . 1113 578 116 LEU CD2 C 24.24 0.302 . 1114 578 116 LEU N N 121.61 0.301 . 1115 579 117 ARG H H 8.16 0.021 . 1116 579 117 ARG HA H 3.91 0.021 . 1117 579 117 ARG HB2 H 1.82 0.022 . 1118 579 117 ARG HB3 H 1.90 0.022 . 1119 579 117 ARG HG2 H 1.48 0.022 . 1120 579 117 ARG HG3 H 1.74 0.022 . 1121 579 117 ARG HD2 H 3.14 0.022 . 1122 579 117 ARG HD3 H 3.14 0.022 . 1123 579 117 ARG C C 177.03 0.301 . 1124 579 117 ARG CA C 60.11 0.301 . 1125 579 117 ARG CB C 29.73 0.301 . 1126 579 117 ARG CG C 28.13 0.301 . 1127 579 117 ARG CD C 43.49 0.301 . 1128 579 117 ARG N N 122.56 0.301 . 1129 580 118 GLU H H 7.93 0.021 . 1130 580 118 GLU HA H 4.13 0.021 . 1131 580 118 GLU HB2 H 2.01 0.022 . 1132 580 118 GLU HB3 H 1.95 0.022 . 1133 580 118 GLU HG2 H 2.33 0.022 . 1134 580 118 GLU HG3 H 2.33 0.022 . 1135 580 118 GLU C C 175.23 0.301 . 1136 580 118 GLU CA C 58.86 0.301 . 1137 580 118 GLU CB C 29.48 0.301 . 1138 580 118 GLU CG C 36.27 0.301 . 1139 580 118 GLU N N 120.88 0.301 . 1140 581 119 ALA H H 8.23 0.021 . 1141 581 119 ALA HA H 4.15 0.021 . 1142 581 119 ALA HB H 1.58 0.021 . 1143 581 119 ALA C C 176.98 0.301 . 1144 581 119 ALA CA C 54.97 0.301 . 1145 581 119 ALA CB C 18.41 0.301 . 1146 581 119 ALA N N 121.40 0.301 . 1147 582 120 THR H H 8.25 0.021 . 1148 582 120 THR HA H 3.93 0.021 . 1149 582 120 THR HB H 4.27 0.021 . 1150 582 120 THR HG2 H 1.08 0.021 . 1151 582 120 THR C C 173.98 0.301 . 1152 582 120 THR CA C 66.18 0.301 . 1153 582 120 THR CB C 68.50 0.301 . 1154 582 120 THR CG2 C 21.08 0.301 . 1155 582 120 THR N N 115.40 0.301 . 1156 583 121 ARG H H 8.09 0.021 . 1157 583 121 ARG HA H 3.95 0.021 . 1158 583 121 ARG HB2 H 1.80 0.022 . 1159 583 121 ARG HB3 H 1.97 0.022 . 1160 583 121 ARG HG2 H 1.44 0.022 . 1161 583 121 ARG HG3 H 1.58 0.022 . 1162 583 121 ARG HD2 H 3.19 0.022 . 1163 583 121 ARG HD3 H 3.19 0.022 . 1164 583 121 ARG C C 175.89 0.301 . 1165 583 121 ARG CA C 59.78 0.301 . 1166 583 121 ARG CB C 30.41 0.301 . 1167 583 121 ARG CG C 27.38 0.301 . 1168 583 121 ARG CD C 43.20 0.301 . 1169 583 121 ARG N N 124.63 0.301 . 1170 584 122 ILE H H 7.64 0.021 . 1171 584 122 ILE HA H 4.25 0.021 . 1172 584 122 ILE HB H 2.05 0.021 . 1173 584 122 ILE HG12 H 1.28 0.022 . 1174 584 122 ILE HG13 H 1.47 0.022 . 1175 584 122 ILE HG2 H 0.89 0.021 . 1176 584 122 ILE HD1 H 0.83 0.021 . 1177 584 122 ILE C C 174.27 0.301 . 1178 584 122 ILE CA C 61.75 0.301 . 1179 584 122 ILE CB C 38.58 0.301 . 1180 584 122 ILE CG1 C 27.04 0.301 . 1181 584 122 ILE CG2 C 17.63 0.301 . 1182 584 122 ILE CD1 C 14.36 0.301 . 1183 584 122 ILE N N 110.54 0.301 . 1184 585 123 GLY H H 7.55 0.021 . 1185 585 123 GLY HA2 H 3.86 0.022 . 1186 585 123 GLY HA3 H 3.86 0.022 . 1187 585 123 GLY C C 171.09 0.301 . 1188 585 123 GLY CA C 46.27 0.301 . 1189 585 123 GLY N N 110.39 0.301 . 1190 586 124 ASP H H 7.69 0.021 . 1191 586 124 ASP HA H 4.45 0.021 . 1192 586 124 ASP HB2 H 2.55 0.022 . 1193 586 124 ASP HB3 H 2.48 0.022 . 1194 586 124 ASP C C 173.12 0.301 . 1195 586 124 ASP CA C 53.07 0.301 . 1196 586 124 ASP CB C 41.06 0.301 . 1197 586 124 ASP N N 119.29 0.301 . 1198 587 125 VAL H H 8.14 0.021 . 1199 587 125 VAL HA H 4.03 0.021 . 1200 587 125 VAL HB H 1.94 0.021 . 1201 587 125 VAL HG1 H 0.86 0.022 . 1202 587 125 VAL HG2 H 0.93 0.022 . 1203 587 125 VAL C C 175.39 0.301 . 1204 587 125 VAL CA C 65.82 0.301 . 1205 587 125 VAL CB C 31.98 0.301 . 1206 587 125 VAL CG1 C 20.91 0.302 . 1207 587 125 VAL CG2 C 21.44 0.302 . 1208 587 125 VAL N N 125.85 0.301 . 1209 588 126 GLU H H 8.17 0.021 . 1210 588 126 GLU HA H 4.00 0.021 . 1211 588 126 GLU HB2 H 2.00 0.022 . 1212 588 126 GLU HB3 H 2.00 0.022 . 1213 588 126 GLU HG2 H 2.21 0.022 . 1214 588 126 GLU HG3 H 2.30 0.022 . 1215 588 126 GLU C C 177.19 0.301 . 1216 588 126 GLU CA C 59.36 0.301 . 1217 588 126 GLU CB C 28.84 0.301 . 1218 588 126 GLU CG C 36.56 0.301 . 1219 588 126 GLU N N 120.31 0.301 . 1220 589 127 LEU H H 8.04 0.021 . 1221 589 127 LEU HA H 4.04 0.021 . 1222 589 127 LEU HB2 H 1.55 0.022 . 1223 589 127 LEU HB3 H 1.55 0.022 . 1224 589 127 LEU HG H 1.55 0.021 . 1225 589 127 LEU HD1 H 0.76 0.022 . 1226 589 127 LEU HD2 H 0.76 0.022 . 1227 589 127 LEU C C 176.08 0.301 . 1228 589 127 LEU CA C 56.91 0.301 . 1229 589 127 LEU CB C 42.10 0.301 . 1230 589 127 LEU CG C 26.70 0.301 . 1231 589 127 LEU CD1 C 23.96 0.302 . 1232 589 127 LEU CD2 C 24.40 0.302 . 1233 589 127 LEU N N 122.25 0.301 . 1234 590 128 GLN H H 8.21 0.021 . 1235 590 128 GLN HA H 3.79 0.021 . 1236 590 128 GLN HB2 H 2.02 0.022 . 1237 590 128 GLN HB3 H 2.02 0.022 . 1238 590 128 GLN HG2 H 2.46 0.022 . 1239 590 128 GLN HG3 H 2.51 0.022 . 1240 590 128 GLN C C 174.92 0.301 . 1241 590 128 GLN CA C 59.87 0.301 . 1242 590 128 GLN CB C 28.92 0.301 . 1243 590 128 GLN CG C 34.50 0.301 . 1244 590 128 GLN N N 118.39 0.301 . 1245 591 129 LYS H H 7.77 0.021 . 1246 591 129 LYS HA H 3.85 0.021 . 1247 591 129 LYS HB2 H 2.12 0.022 . 1248 591 129 LYS HB3 H 2.07 0.022 . 1249 591 129 LYS HG2 H 0.99 0.022 . 1250 591 129 LYS HG3 H 0.99 0.022 . 1251 591 129 LYS C C 175.99 0.301 . 1252 591 129 LYS CA C 60.03 0.301 . 1253 591 129 LYS CB C 32.47 0.301 . 1254 591 129 LYS CG C 25.41 0.301 . 1255 591 129 LYS CD C 29.63 0.301 . 1256 591 129 LYS CE C 38.70 0.301 . 1257 591 129 LYS N N 117.21 0.301 . 1258 592 130 TYR H H 7.71 0.021 . 1259 592 130 TYR HA H 4.09 0.021 . 1260 592 130 TYR HB2 H 2.76 0.022 . 1261 592 130 TYR HB3 H 2.96 0.022 . 1262 592 130 TYR HD1 H 6.33 0.023 . 1263 592 130 TYR HE1 H 6.49 0.023 . 1264 592 130 TYR C C 176.49 0.301 . 1265 592 130 TYR CA C 61.25 0.301 . 1266 592 130 TYR CB C 38.22 0.301 . 1267 592 130 TYR CD1 C 132.38 0.303 . 1268 592 130 TYR CE1 C 117.49 0.303 . 1269 592 130 TYR N N 120.11 0.301 . 1270 593 131 TYR H H 8.33 0.021 . 1271 593 131 TYR HA H 4.08 0.021 . 1272 593 131 TYR HB2 H 2.68 0.022 . 1273 593 131 TYR HB3 H 2.95 0.022 . 1274 593 131 TYR HD1 H 6.84 0.023 . 1275 593 131 TYR HE1 H 6.84 0.023 . 1276 593 131 TYR C C 175.60 0.301 . 1277 593 131 TYR CA C 62.58 0.301 . 1278 593 131 TYR CB C 38.10 0.301 . 1279 593 131 TYR CD1 C 132.73 0.303 . 1280 593 131 TYR CE1 C 117.27 0.303 . 1281 593 131 TYR N N 117.90 0.301 . 1282 594 132 LEU H H 8.60 0.021 . 1283 594 132 LEU HA H 4.01 0.021 . 1284 594 132 LEU HB2 H 1.39 0.022 . 1285 594 132 LEU HB3 H 1.57 0.022 . 1286 594 132 LEU HG H 1.73 0.021 . 1287 594 132 LEU HD1 H 0.78 0.022 . 1288 594 132 LEU HD2 H 0.78 0.022 . 1289 594 132 LEU C C 176.42 0.301 . 1290 594 132 LEU CA C 58.80 0.301 . 1291 594 132 LEU CB C 41.78 0.301 . 1292 594 132 LEU CG C 26.87 0.301 . 1293 594 132 LEU CD1 C 24.60 0.302 . 1294 594 132 LEU CD2 C 24.28 0.302 . 1295 594 132 LEU N N 120.56 0.301 . 1296 595 133 GLN H H 7.82 0.021 . 1297 595 133 GLN HA H 3.91 0.021 . 1298 595 133 GLN HB2 H 2.04 0.022 . 1299 595 133 GLN HB3 H 2.05 0.022 . 1300 595 133 GLN HG2 H 2.31 0.022 . 1301 595 133 GLN HG3 H 2.31 0.022 . 1302 595 133 GLN C C 176.43 0.301 . 1303 595 133 GLN CA C 58.80 0.301 . 1304 595 133 GLN CB C 27.98 0.301 . 1305 595 133 GLN CG C 34.09 0.301 . 1306 595 133 GLN N N 116.96 0.301 . 1307 596 134 GLN H H 7.61 0.021 . 1308 596 134 GLN HA H 3.88 0.021 . 1309 596 134 GLN HB2 H 2.09 0.022 . 1310 596 134 GLN HB3 H 2.09 0.022 . 1311 596 134 GLN C C 175.72 0.301 . 1312 596 134 GLN CA C 58.20 0.301 . 1313 596 134 GLN CB C 29.63 0.301 . 1314 596 134 GLN CG C 33.80 0.301 . 1315 596 134 GLN N N 118.19 0.301 . 1316 597 135 ILE H H 8.17 0.021 . 1317 597 135 ILE HA H 3.37 0.021 . 1318 597 135 ILE HB H 1.87 0.021 . 1319 597 135 ILE HG12 H 1.77 0.022 . 1320 597 135 ILE HG13 H 1.77 0.022 . 1321 597 135 ILE HG2 H 0.79 0.021 . 1322 597 135 ILE HD1 H 0.66 0.021 . 1323 597 135 ILE C C 175.15 0.301 . 1324 597 135 ILE CA C 66.16 0.301 . 1325 597 135 ILE CB C 38.88 0.301 . 1326 597 135 ILE CG1 C 26.90 0.301 . 1327 597 135 ILE CG2 C 17.24 0.301 . 1328 597 135 ILE CD1 C 14.54 0.301 . 1329 597 135 ILE N N 122.17 0.301 . 1330 598 136 VAL H H 8.03 0.021 . 1331 598 136 VAL HA H 3.62 0.021 . 1332 598 136 VAL HB H 2.00 0.021 . 1333 598 136 VAL HG1 H 0.93 0.022 . 1334 598 136 VAL HG2 H 0.93 0.022 . 1335 598 136 VAL C C 176.07 0.301 . 1336 598 136 VAL CA C 66.16 0.301 . 1337 598 136 VAL CB C 31.75 0.301 . 1338 598 136 VAL CG1 C 22.60 0.302 . 1339 598 136 VAL CG2 C 21.29 0.302 . 1340 598 136 VAL N N 119.88 0.301 . 1341 599 137 ALA H H 7.60 0.021 . 1342 599 137 ALA HA H 4.03 0.021 . 1343 599 137 ALA HB H 1.37 0.021 . 1344 599 137 ALA C C 177.31 0.301 . 1345 599 137 ALA CA C 54.69 0.301 . 1346 599 137 ALA CB C 18.34 0.301 . 1347 599 137 ALA N N 120.74 0.301 . 1348 600 138 LYS H H 7.83 0.021 . 1349 600 138 LYS HA H 4.08 0.021 . 1350 600 138 LYS HB2 H 1.78 0.022 . 1351 600 138 LYS HB3 H 1.78 0.022 . 1352 600 138 LYS HG2 H 1.39 0.022 . 1353 600 138 LYS HG3 H 1.39 0.022 . 1354 600 138 LYS HD2 H 1.58 0.022 . 1355 600 138 LYS HD3 H 1.58 0.022 . 1356 600 138 LYS HE2 H 2.78 0.022 . 1357 600 138 LYS HE3 H 2.78 0.022 . 1358 600 138 LYS C C 175.64 0.301 . 1359 600 138 LYS CA C 57.47 0.301 . 1360 600 138 LYS CB C 31.96 0.301 . 1361 600 138 LYS CG C 24.92 0.301 . 1362 600 138 LYS CD C 28.42 0.301 . 1363 600 138 LYS CE C 41.32 0.301 . 1364 600 138 LYS N N 118.14 0.301 . 1365 601 139 ASN H H 8.08 0.021 . 1366 601 139 ASN HA H 4.53 0.021 . 1367 601 139 ASN HB2 H 2.75 0.022 . 1368 601 139 ASN HB3 H 2.75 0.022 . 1369 601 139 ASN C C 173.70 0.301 . 1370 601 139 ASN CA C 54.60 0.301 . 1371 601 139 ASN CB C 38.83 0.301 . 1372 601 139 ASN N N 117.89 0.301 . 1373 602 140 LYS H H 7.78 0.021 . 1374 602 140 LYS HA H 4.16 0.021 . 1375 602 140 LYS HB2 H 1.80 0.022 . 1376 602 140 LYS HB3 H 1.80 0.022 . 1377 602 140 LYS HG2 H 1.47 0.022 . 1378 602 140 LYS HG3 H 1.38 0.022 . 1379 602 140 LYS HD2 H 1.55 0.022 . 1380 602 140 LYS HD3 H 1.55 0.022 . 1381 602 140 LYS HE2 H 2.80 0.022 . 1382 602 140 LYS HE3 H 2.80 0.022 . 1383 602 140 LYS C C 174.40 0.301 . 1384 602 140 LYS CA C 57.51 0.301 . 1385 602 140 LYS CB C 31.32 0.301 . 1386 602 140 LYS CG C 25.02 0.301 . 1387 602 140 LYS CD C 29.26 0.301 . 1388 602 140 LYS CE C 42.10 0.301 . 1389 602 140 LYS N N 119.92 0.301 . 1390 603 141 GLU H H 7.84 0.021 . 1391 603 141 GLU HA H 4.17 0.021 . 1392 603 141 GLU HB2 H 2.01 0.022 . 1393 603 141 GLU HB3 H 1.97 0.022 . 1394 603 141 GLU HG2 H 2.27 0.022 . 1395 603 141 GLU HG3 H 2.27 0.022 . 1396 603 141 GLU C C 175.02 0.301 . 1397 603 141 GLU CA C 57.14 0.301 . 1398 603 141 GLU CB C 30.18 0.301 . 1399 603 141 GLU CG C 36.54 0.301 . 1400 603 141 GLU N N 119.60 0.301 . 1401 604 142 ARG H H 7.90 0.021 . 1402 604 142 ARG HA H 4.30 0.021 . 1403 604 142 ARG HB2 H 1.69 0.022 . 1404 604 142 ARG HB3 H 1.82 0.022 . 1405 604 142 ARG HG2 H 1.56 0.022 . 1406 604 142 ARG HG3 H 1.56 0.022 . 1407 604 142 ARG HD2 H 3.10 0.022 . 1408 604 142 ARG HD3 H 3.10 0.022 . 1409 604 142 ARG C C 172.60 0.301 . 1410 604 142 ARG CA C 56.08 0.301 . 1411 604 142 ARG CB C 30.77 0.301 . 1412 604 142 ARG CG C 27.10 0.301 . 1413 604 142 ARG CD C 43.32 0.301 . 1414 604 142 ARG N N 120.13 0.301 . 1415 605 143 MET H H 7.80 0.021 . 1416 605 143 MET HA H 4.16 0.021 . 1417 605 143 MET HB2 H 1.87 0.022 . 1418 605 143 MET HB3 H 1.99 0.022 . 1419 605 143 MET HG2 H 2.43 0.022 . 1420 605 143 MET HG3 H 2.43 0.022 . 1421 605 143 MET HE H 0.69 0.022 . 1422 605 143 MET CA C 57.28 0.301 . 1423 605 143 MET CB C 33.99 0.301 . 1424 605 143 MET CE C 13.06 0.301 . 1425 605 143 MET N N 126.57 0.301 . stop_ save_