data_34200 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the C-terminal domain of the human RPAP3 protein ; _BMRB_accession_number 34200 _BMRB_flat_file_name bmr34200.str _Entry_type original _Submission_date 2017-11-14 _Accession_date 2017-11-17 _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 Fabre P. . . 2 Chagot M. E. . 3 Bragantini B. . . 4 Manival X. . . 5 Quinternet M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 889 "13C chemical shifts" 615 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-14 update BMRB 'update entry citation' 2018-04-13 original author 'original release' stop_ _Original_release_date 2017-11-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The RPAP3-Cterminal domain identifies R2TP-like quaternary chaperones ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29844425 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maurizy Chloe . . 2 Quinternet Marc . . 3 Abel Yoann . . 4 Verheggen Celine . . 5 Santo Paulo E. . 6 Bourguet Maxime . . 7 'C F Paiva' Ana . . 8 Bragantini Benoit . . 9 Chagot Marie-Eve E. . 10 Robert Marie-Cecile C. . 11 Abeza Claire . . 12 Fabre Philippe . . 13 Fort Philippe . . 14 Vandermoere Franck . . 15 'M F Sousa' Pedro . . 16 Rain Jean-Christophe C. . 17 Charpentier Bruno . . 18 Cianferani Sarah . . 19 Bandeiras Tiago M. . 20 Pradet-Balade Berengere . . 21 Manival Xavier . . 22 Bertrand Edouard . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2093 _Page_last 2093 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA polymerase II-associated protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 15804.365 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; GPHMAQFATTVLPPIPANSF QLESDFRQLKSSPDMLYQYL KQIEPSLYPKLFQKNLDPDV FNQIVKILHDFYIEKEKPLL IFEILQRLSELKRFDMAVMF MSETEKKIARALFNHIDKSG LKDSSVEELKKRYGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 531 GLY 2 532 PRO 3 533 HIS 4 534 MET 5 535 ALA 6 536 GLN 7 537 PHE 8 538 ALA 9 539 THR 10 540 THR 11 541 VAL 12 542 LEU 13 543 PRO 14 544 PRO 15 545 ILE 16 546 PRO 17 547 ALA 18 548 ASN 19 549 SER 20 550 PHE 21 551 GLN 22 552 LEU 23 553 GLU 24 554 SER 25 555 ASP 26 556 PHE 27 557 ARG 28 558 GLN 29 559 LEU 30 560 LYS 31 561 SER 32 562 SER 33 563 PRO 34 564 ASP 35 565 MET 36 566 LEU 37 567 TYR 38 568 GLN 39 569 TYR 40 570 LEU 41 571 LYS 42 572 GLN 43 573 ILE 44 574 GLU 45 575 PRO 46 576 SER 47 577 LEU 48 578 TYR 49 579 PRO 50 580 LYS 51 581 LEU 52 582 PHE 53 583 GLN 54 584 LYS 55 585 ASN 56 586 LEU 57 587 ASP 58 588 PRO 59 589 ASP 60 590 VAL 61 591 PHE 62 592 ASN 63 593 GLN 64 594 ILE 65 595 VAL 66 596 LYS 67 597 ILE 68 598 LEU 69 599 HIS 70 600 ASP 71 601 PHE 72 602 TYR 73 603 ILE 74 604 GLU 75 605 LYS 76 606 GLU 77 607 LYS 78 608 PRO 79 609 LEU 80 610 LEU 81 611 ILE 82 612 PHE 83 613 GLU 84 614 ILE 85 615 LEU 86 616 GLN 87 617 ARG 88 618 LEU 89 619 SER 90 620 GLU 91 621 LEU 92 622 LYS 93 623 ARG 94 624 PHE 95 625 ASP 96 626 MET 97 627 ALA 98 628 VAL 99 629 MET 100 630 PHE 101 631 MET 102 632 SER 103 633 GLU 104 634 THR 105 635 GLU 106 636 LYS 107 637 LYS 108 638 ILE 109 639 ALA 110 640 ARG 111 641 ALA 112 642 LEU 113 643 PHE 114 644 ASN 115 645 HIS 116 646 ILE 117 647 ASP 118 648 LYS 119 649 SER 120 650 GLY 121 651 LEU 122 652 LYS 123 653 ASP 124 654 SER 125 655 SER 126 656 VAL 127 657 GLU 128 658 GLU 129 659 LEU 130 660 LYS 131 661 LYS 132 662 ARG 133 663 TYR 134 664 GLY 135 665 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens RPAP3 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 _Details $entity_1 'recombinant technology' . . . . . 'BL21-Gold(DE3)pLysS AG' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] RPAP3 C-terminal domain, 150 mM sodium chloride, 10 mM sodium phosphate, 0.5 mM TCEP, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' TCEP 0.5 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCCONH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCO_E.cosy_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO E.cosy' _Sample_label $sample_1 save_ save_3D_HNCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HNCACB' '2D 1H-1H NOESY' '3D HBHA(CO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D (H)CCCONH' '3D H(CCO)NH' '3D HNHA' '3D HNCO E.cosy' '3D HNCACO' '3D HNCO' '3D CBCA(CO)NH' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 532 2 PRO HA H 4.463 0.020 1 2 532 2 PRO HB2 H 1.864 0.020 1 3 532 2 PRO HB3 H 2.275 0.020 1 4 532 2 PRO HG2 H 1.959 0.020 1 5 532 2 PRO HG3 H 2.017 0.020 1 6 532 2 PRO HD2 H 3.573 0.020 2 7 532 2 PRO HD3 H 3.573 0.020 2 8 532 2 PRO C C 176.615 0.300 1 9 532 2 PRO CA C 63.032 0.300 1 10 532 2 PRO CB C 32.360 0.300 1 11 532 2 PRO CG C 26.993 0.300 1 12 532 2 PRO CD C 49.634 0.300 1 13 533 3 HIS H H 8.627 0.020 1 14 533 3 HIS HA H 4.657 0.020 1 15 533 3 HIS HB2 H 3.174 0.020 2 16 533 3 HIS HB3 H 3.174 0.020 2 17 533 3 HIS C C 174.951 0.300 1 18 533 3 HIS CA C 55.928 0.300 1 19 533 3 HIS CB C 29.892 0.300 1 20 533 3 HIS N N 119.961 0.300 1 21 534 4 MET H H 8.360 0.020 1 22 534 4 MET HA H 4.472 0.020 1 23 534 4 MET HB2 H 1.974 0.020 1 24 534 4 MET HB3 H 2.059 0.020 1 25 534 4 MET HG2 H 2.516 0.020 1 26 534 4 MET HG3 H 2.584 0.020 1 27 534 4 MET HE H 2.104 0.020 1 28 534 4 MET C C 175.719 0.300 1 29 534 4 MET CA C 55.241 0.300 1 30 534 4 MET CB C 33.164 0.300 1 31 534 4 MET CG C 31.786 0.300 1 32 534 4 MET CE C 16.922 0.300 1 33 534 4 MET N N 122.609 0.300 1 34 535 5 ALA H H 8.404 0.020 1 35 535 5 ALA HA H 4.252 0.020 1 36 535 5 ALA HB H 1.405 0.020 1 37 535 5 ALA C C 177.415 0.300 1 38 535 5 ALA CA C 52.572 0.300 1 39 535 5 ALA CB C 19.259 0.300 1 40 535 5 ALA N N 125.662 0.300 1 41 536 6 GLN H H 8.292 0.020 1 42 536 6 GLN HA H 4.228 0.020 1 43 536 6 GLN HB2 H 1.912 0.020 2 44 536 6 GLN HB3 H 1.912 0.020 2 45 536 6 GLN HG2 H 2.173 0.020 1 46 536 6 GLN HG3 H 2.219 0.020 1 47 536 6 GLN HE21 H 7.469 0.020 1 48 536 6 GLN HE22 H 6.855 0.020 1 49 536 6 GLN C C 175.602 0.300 1 50 536 6 GLN CA C 55.983 0.300 1 51 536 6 GLN CB C 29.599 0.300 1 52 536 6 GLN CG C 33.690 0.300 1 53 536 6 GLN N N 119.294 0.300 1 54 536 6 GLN NE2 N 112.462 0.300 1 55 537 7 PHE H H 8.170 0.020 1 56 537 7 PHE HA H 4.656 0.020 1 57 537 7 PHE HB2 H 2.998 0.020 1 58 537 7 PHE HB3 H 3.192 0.020 1 59 537 7 PHE HD1 H 7.264 0.020 3 60 537 7 PHE HD2 H 7.264 0.020 3 61 537 7 PHE C C 175.335 0.300 1 62 537 7 PHE CA C 57.424 0.300 1 63 537 7 PHE CB C 39.809 0.300 1 64 537 7 PHE N N 120.787 0.300 1 65 538 8 ALA H H 8.221 0.020 1 66 538 8 ALA HA H 4.388 0.020 1 67 538 8 ALA HB H 1.389 0.020 1 68 538 8 ALA C C 177.543 0.300 1 69 538 8 ALA CA C 52.420 0.300 1 70 538 8 ALA CB C 19.637 0.300 1 71 538 8 ALA N N 125.263 0.300 1 72 539 9 THR H H 8.146 0.020 1 73 539 9 THR HA H 4.365 0.020 1 74 539 9 THR HB H 4.216 0.020 1 75 539 9 THR HG2 H 1.211 0.020 1 76 539 9 THR C C 174.461 0.300 1 77 539 9 THR CA C 61.905 0.300 1 78 539 9 THR CB C 69.598 0.300 1 79 539 9 THR CG2 C 21.655 0.300 1 80 539 9 THR N N 113.857 0.300 1 81 540 10 THR H H 8.126 0.020 1 82 540 10 THR HA H 4.364 0.020 1 83 540 10 THR HB H 4.194 0.020 1 84 540 10 THR HG2 H 1.175 0.020 1 85 540 10 THR C C 173.895 0.300 1 86 540 10 THR CA C 61.912 0.300 1 87 540 10 THR CB C 69.764 0.300 1 88 540 10 THR CG2 C 21.600 0.300 1 89 540 10 THR N N 116.727 0.300 1 90 541 11 VAL H H 8.005 0.020 1 91 541 11 VAL HA H 4.069 0.020 1 92 541 11 VAL HB H 1.975 0.020 1 93 541 11 VAL HG1 H .884 0.020 2 94 541 11 VAL HG2 H .853 0.020 2 95 541 11 VAL C C 175.004 0.300 1 96 541 11 VAL CA C 61.730 0.300 1 97 541 11 VAL CB C 33.189 0.300 1 98 541 11 VAL CG1 C 20.548 0.300 1 99 541 11 VAL CG2 C 21.022 0.300 1 100 541 11 VAL N N 123.186 0.300 1 101 542 12 LEU H H 8.366 0.020 1 102 542 12 LEU HA H 4.518 0.020 1 103 542 12 LEU HB2 H 1.409 0.020 1 104 542 12 LEU HB3 H 1.778 0.020 1 105 542 12 LEU HG H 1.737 0.020 1 106 542 12 LEU HD1 H .784 0.020 2 107 542 12 LEU HD2 H .927 0.020 2 108 542 12 LEU C C 174.546 0.300 1 109 542 12 LEU CA C 52.401 0.300 1 110 542 12 LEU CB C 43.011 0.300 1 111 542 12 LEU CG C 26.325 0.300 1 112 542 12 LEU CD1 C 25.730 0.300 1 113 542 12 LEU CD2 C 25.246 0.300 1 114 542 12 LEU N N 128.351 0.300 1 115 543 13 PRO HA H 4.667 0.020 1 116 543 13 PRO HB2 H 2.019 0.020 1 117 543 13 PRO HB3 H 2.578 0.020 1 118 543 13 PRO HG2 H 1.641 0.020 1 119 543 13 PRO HG3 H 1.893 0.020 1 120 543 13 PRO HD2 H 3.411 0.020 1 121 543 13 PRO HD3 H 4.210 0.020 1 122 543 13 PRO CA C 61.806 0.300 1 123 543 13 PRO CB C 30.837 0.300 1 124 543 13 PRO CG C 27.395 0.300 1 125 543 13 PRO CD C 51.319 0.300 1 126 544 14 PRO HA H 4.599 0.020 1 127 544 14 PRO HB2 H 2.021 0.020 1 128 544 14 PRO HB3 H 2.267 0.020 1 129 544 14 PRO HG2 H 1.797 0.020 1 130 544 14 PRO HG3 H 2.013 0.020 1 131 544 14 PRO HD2 H 3.681 0.020 2 132 544 14 PRO HD3 H 3.681 0.020 2 133 544 14 PRO C C 175.367 0.300 1 134 544 14 PRO CA C 61.463 0.300 1 135 544 14 PRO CB C 32.854 0.300 1 136 544 14 PRO CG C 26.884 0.300 1 137 544 14 PRO CD C 49.921 0.300 1 138 545 15 ILE H H 7.868 0.020 1 139 545 15 ILE HA H 3.726 0.020 1 140 545 15 ILE HB H 1.534 0.020 1 141 545 15 ILE HG12 H .774 0.020 1 142 545 15 ILE HG13 H 1.590 0.020 1 143 545 15 ILE HG2 H .880 0.020 1 144 545 15 ILE HD1 H .920 0.020 1 145 545 15 ILE C C 174.919 0.300 1 146 545 15 ILE CA C 60.269 0.300 1 147 545 15 ILE CB C 39.199 0.300 1 148 545 15 ILE CG1 C 29.491 0.300 1 149 545 15 ILE CG2 C 16.797 0.300 1 150 545 15 ILE CD1 C 14.186 0.300 1 151 545 15 ILE N N 119.258 0.300 1 152 546 16 PRO HA H 4.554 0.020 1 153 546 16 PRO HB2 H 2.040 0.020 1 154 546 16 PRO HB3 H 2.190 0.020 1 155 546 16 PRO HG2 H 1.924 0.020 1 156 546 16 PRO HG3 H 2.237 0.020 1 157 546 16 PRO HD2 H 3.413 0.020 1 158 546 16 PRO HD3 H 3.633 0.020 1 159 546 16 PRO C C 176.165 0.300 1 160 546 16 PRO CA C 62.214 0.300 1 161 546 16 PRO CB C 32.360 0.300 1 162 546 16 PRO CG C 27.598 0.300 1 163 546 16 PRO CD C 50.765 0.300 1 164 547 17 ALA H H 8.422 0.020 1 165 547 17 ALA HA H 4.308 0.020 1 166 547 17 ALA HB H 1.461 0.020 1 167 547 17 ALA C C 177.681 0.300 1 168 547 17 ALA CA C 52.380 0.300 1 169 547 17 ALA CB C 20.369 0.300 1 170 547 17 ALA N N 117.819 0.300 1 171 548 18 ASN H H 7.372 0.020 1 172 548 18 ASN HA H 4.952 0.020 1 173 548 18 ASN HB2 H 3.194 0.020 2 174 548 18 ASN HB3 H 3.194 0.020 2 175 548 18 ASN HD21 H 7.165 0.020 1 176 548 18 ASN HD22 H 7.767 0.020 1 177 548 18 ASN C C 175.474 0.300 1 178 548 18 ASN CA C 51.912 0.300 1 179 548 18 ASN CB C 40.608 0.300 1 180 548 18 ASN N N 108.385 0.300 1 181 548 18 ASN ND2 N 115.502 0.300 1 182 549 19 SER H H 8.677 0.020 1 183 549 19 SER HA H 3.905 0.020 1 184 549 19 SER HB2 H 3.887 0.020 2 185 549 19 SER HB3 H 3.887 0.020 2 186 549 19 SER C C 175.228 0.300 1 187 549 19 SER CA C 61.823 0.300 1 188 549 19 SER CB C 62.523 0.300 1 189 549 19 SER N N 114.478 0.300 1 190 550 20 PHE H H 8.016 0.020 1 191 550 20 PHE HA H 4.355 0.020 1 192 550 20 PHE HB2 H 3.194 0.020 2 193 550 20 PHE HB3 H 3.194 0.020 2 194 550 20 PHE HD1 H 7.298 0.020 3 195 550 20 PHE HD2 H 7.298 0.020 3 196 550 20 PHE C C 178.993 0.300 1 197 550 20 PHE CA C 60.958 0.300 1 198 550 20 PHE CB C 38.249 0.300 1 199 550 20 PHE CD1 C 131.849 0.300 1 200 550 20 PHE N N 124.516 0.300 1 201 551 21 GLN H H 8.446 0.020 1 202 551 21 GLN HA H 3.947 0.020 1 203 551 21 GLN HB2 H 2.065 0.020 1 204 551 21 GLN HB3 H 2.259 0.020 1 205 551 21 GLN HG2 H 2.683 0.020 2 206 551 21 GLN HG3 H 2.683 0.020 2 207 551 21 GLN HE21 H 6.972 0.020 1 208 551 21 GLN HE22 H 7.994 0.020 1 209 551 21 GLN C C 176.967 0.300 1 210 551 21 GLN CA C 58.327 0.300 1 211 551 21 GLN CB C 28.707 0.300 1 212 551 21 GLN CG C 33.433 0.300 1 213 551 21 GLN N N 121.195 0.300 1 214 551 21 GLN NE2 N 115.169 0.300 1 215 552 22 LEU H H 7.457 0.020 1 216 552 22 LEU HA H 4.501 0.020 1 217 552 22 LEU HB2 H 1.455 0.020 1 218 552 22 LEU HB3 H 1.698 0.020 1 219 552 22 LEU HG H 1.634 0.020 1 220 552 22 LEU HD1 H .251 0.020 2 221 552 22 LEU HD2 H .707 0.020 2 222 552 22 LEU C C 178.502 0.300 1 223 552 22 LEU CA C 58.615 0.300 1 224 552 22 LEU CB C 42.202 0.300 1 225 552 22 LEU CG C 26.907 0.300 1 226 552 22 LEU CD1 C 25.952 0.300 1 227 552 22 LEU CD2 C 26.670 0.300 1 228 552 22 LEU N N 119.904 0.300 1 229 553 23 GLU H H 8.435 0.020 1 230 553 23 GLU HA H 3.646 0.020 1 231 553 23 GLU HB2 H 1.983 0.020 1 232 553 23 GLU HB3 H 2.157 0.020 1 233 553 23 GLU HG2 H 2.196 0.020 1 234 553 23 GLU HG3 H 2.517 0.020 1 235 553 23 GLU C C 179.441 0.300 1 236 553 23 GLU CA C 60.024 0.300 1 237 553 23 GLU CB C 29.232 0.300 1 238 553 23 GLU CG C 37.054 0.300 1 239 553 23 GLU N N 118.108 0.300 1 240 554 24 SER H H 7.800 0.020 1 241 554 24 SER HA H 4.097 0.020 1 242 554 24 SER HB2 H 3.892 0.020 1 243 554 24 SER HB3 H 3.952 0.020 1 244 554 24 SER C C 177.073 0.300 1 245 554 24 SER CA C 61.698 0.300 1 246 554 24 SER CB C 62.734 0.300 1 247 554 24 SER N N 114.997 0.300 1 248 555 25 ASP H H 8.876 0.020 1 249 555 25 ASP HA H 4.233 0.020 1 250 555 25 ASP HB2 H 1.694 0.020 1 251 555 25 ASP HB3 H 3.067 0.020 1 252 555 25 ASP C C 178.300 0.300 1 253 555 25 ASP CA C 57.459 0.300 1 254 555 25 ASP CB C 38.229 0.300 1 255 555 25 ASP N N 124.829 0.300 1 256 556 26 PHE H H 8.987 0.020 1 257 556 26 PHE HA H 3.813 0.020 1 258 556 26 PHE HB2 H 3.004 0.020 1 259 556 26 PHE HB3 H 3.441 0.020 1 260 556 26 PHE HD1 H 7.323 0.020 3 261 556 26 PHE HD2 H 7.323 0.020 3 262 556 26 PHE HE1 H 6.822 0.020 3 263 556 26 PHE HE2 H 6.822 0.020 3 264 556 26 PHE HZ H 7.153 0.020 1 265 556 26 PHE C C 178.780 0.300 1 266 556 26 PHE CA C 61.393 0.300 1 267 556 26 PHE CB C 38.408 0.300 1 268 556 26 PHE CD1 C 130.828 0.300 1 269 556 26 PHE CE1 C 132.451 0.300 1 270 556 26 PHE CZ C 128.395 0.300 1 271 556 26 PHE N N 120.574 0.300 1 272 557 27 ARG H H 7.651 0.020 1 273 557 27 ARG HA H 4.029 0.020 1 274 557 27 ARG HB2 H 1.952 0.020 1 275 557 27 ARG HB3 H 2.083 0.020 1 276 557 27 ARG HG2 H 1.647 0.020 1 277 557 27 ARG HG3 H 1.941 0.020 1 278 557 27 ARG HD2 H 3.217 0.020 1 279 557 27 ARG HD3 H 3.338 0.020 1 280 557 27 ARG HE H 7.405 0.020 1 281 557 27 ARG C C 179.174 0.300 1 282 557 27 ARG CA C 60.033 0.300 1 283 557 27 ARG CB C 30.311 0.300 1 284 557 27 ARG CG C 28.559 0.300 1 285 557 27 ARG CD C 43.524 0.300 1 286 557 27 ARG N N 117.105 0.300 1 287 557 27 ARG NE N 84.453 0.300 1 288 558 28 GLN H H 7.956 0.020 1 289 558 28 GLN HA H 4.110 0.020 1 290 558 28 GLN HB2 H 2.158 0.020 1 291 558 28 GLN HB3 H 2.221 0.020 1 292 558 28 GLN HG2 H 2.356 0.020 1 293 558 28 GLN HG3 H 2.459 0.020 1 294 558 28 GLN HE21 H 7.415 0.020 1 295 558 28 GLN HE22 H 6.849 0.020 1 296 558 28 GLN C C 178.108 0.300 1 297 558 28 GLN CA C 58.194 0.300 1 298 558 28 GLN CB C 28.927 0.300 1 299 558 28 GLN CG C 33.668 0.300 1 300 558 28 GLN N N 118.768 0.300 1 301 558 28 GLN NE2 N 111.711 0.300 1 302 559 29 LEU H H 7.946 0.020 1 303 559 29 LEU HA H 4.278 0.020 1 304 559 29 LEU HB2 H 1.304 0.020 1 305 559 29 LEU HB3 H 1.427 0.020 1 306 559 29 LEU HG H 1.594 0.020 1 307 559 29 LEU HD1 H .219 0.020 2 308 559 29 LEU HD2 H .674 0.020 2 309 559 29 LEU C C 177.404 0.300 1 310 559 29 LEU CA C 54.948 0.300 1 311 559 29 LEU CB C 43.125 0.300 1 312 559 29 LEU CG C 26.373 0.300 1 313 559 29 LEU CD1 C 25.681 0.300 1 314 559 29 LEU CD2 C 22.615 0.300 1 315 559 29 LEU N N 116.797 0.300 1 316 560 30 LYS H H 7.346 0.020 1 317 560 30 LYS HA H 3.775 0.020 1 318 560 30 LYS HB2 H 1.883 0.020 1 319 560 30 LYS HB3 H 2.038 0.020 1 320 560 30 LYS HG2 H 1.397 0.020 1 321 560 30 LYS HG3 H 1.531 0.020 1 322 560 30 LYS HD2 H 1.712 0.020 2 323 560 30 LYS HD3 H 1.712 0.020 2 324 560 30 LYS HE2 H 3.006 0.020 2 325 560 30 LYS HE3 H 3.006 0.020 2 326 560 30 LYS C C 177.154 0.300 1 327 560 30 LYS CA C 59.992 0.300 1 328 560 30 LYS CB C 32.482 0.300 1 329 560 30 LYS CG C 24.115 0.300 1 330 560 30 LYS CD C 29.712 0.300 1 331 560 30 LYS CE C 42.111 0.300 1 332 560 30 LYS N N 119.165 0.300 1 333 561 31 SER H H 8.047 0.020 1 334 561 31 SER HA H 4.459 0.020 1 335 561 31 SER HB2 H 3.970 0.020 1 336 561 31 SER HB3 H 4.060 0.020 1 337 561 31 SER C C 173.946 0.300 1 338 561 31 SER CA C 58.844 0.300 1 339 561 31 SER CB C 63.023 0.300 1 340 561 31 SER N N 111.072 0.300 1 341 562 32 SER H H 8.276 0.020 1 342 562 32 SER HA H 5.063 0.020 1 343 562 32 SER HB2 H 3.762 0.020 1 344 562 32 SER HB3 H 3.910 0.020 1 345 562 32 SER C C 171.926 0.300 1 346 562 32 SER CA C 54.373 0.300 1 347 562 32 SER CB C 63.817 0.300 1 348 562 32 SER N N 117.461 0.300 1 349 563 33 PRO HA H 4.150 0.020 1 350 563 33 PRO HB2 H 2.310 0.020 1 351 563 33 PRO HB3 H 2.676 0.020 1 352 563 33 PRO HG2 H 2.124 0.020 1 353 563 33 PRO HG3 H 2.315 0.020 1 354 563 33 PRO HD2 H 3.611 0.020 1 355 563 33 PRO HD3 H 3.912 0.020 1 356 563 33 PRO C C 176.295 0.300 1 357 563 33 PRO CA C 65.900 0.300 1 358 563 33 PRO CB C 32.126 0.300 1 359 563 33 PRO CG C 27.753 0.300 1 360 563 33 PRO CD C 50.280 0.300 1 361 564 34 ASP H H 8.521 0.020 1 362 564 34 ASP HA H 4.080 0.020 1 363 564 34 ASP HB2 H 2.648 0.020 1 364 564 34 ASP HB3 H 2.739 0.020 1 365 564 34 ASP C C 179.003 0.300 1 366 564 34 ASP CA C 57.405 0.300 1 367 564 34 ASP CB C 40.504 0.300 1 368 564 34 ASP N N 113.711 0.300 1 369 565 35 MET H H 7.632 0.020 1 370 565 35 MET HA H 4.280 0.020 1 371 565 35 MET HB2 H 2.471 0.020 1 372 565 35 MET HB3 H 2.695 0.020 1 373 565 35 MET HG2 H 1.934 0.020 1 374 565 35 MET HG3 H 2.226 0.020 1 375 565 35 MET HE H 1.945 0.020 1 376 565 35 MET C C 179.216 0.300 1 377 565 35 MET CA C 57.443 0.300 1 378 565 35 MET CB C 32.745 0.300 1 379 565 35 MET CG C 32.436 0.300 1 380 565 35 MET CE C 16.936 0.300 1 381 565 35 MET N N 118.604 0.300 1 382 566 36 LEU H H 8.030 0.020 1 383 566 36 LEU HA H 3.885 0.020 1 384 566 36 LEU HB2 H 1.432 0.020 1 385 566 36 LEU HB3 H 1.642 0.020 1 386 566 36 LEU HG H 1.311 0.020 1 387 566 36 LEU HD1 H .246 0.020 2 388 566 36 LEU HD2 H .448 0.020 2 389 566 36 LEU C C 178.332 0.300 1 390 566 36 LEU CA C 58.136 0.300 1 391 566 36 LEU CB C 40.700 0.300 1 392 566 36 LEU CG C 26.827 0.300 1 393 566 36 LEU CD1 C 23.736 0.300 1 394 566 36 LEU CD2 C 25.444 0.300 1 395 566 36 LEU N N 122.056 0.300 1 396 567 37 TYR H H 8.079 0.020 1 397 567 37 TYR HA H 4.252 0.020 1 398 567 37 TYR HB2 H 2.059 0.020 1 399 567 37 TYR HB3 H 2.466 0.020 1 400 567 37 TYR HD1 H 6.942 0.020 3 401 567 37 TYR HD2 H 6.942 0.020 3 402 567 37 TYR HE1 H 6.311 0.020 3 403 567 37 TYR HE2 H 6.311 0.020 3 404 567 37 TYR C C 175.602 0.300 1 405 567 37 TYR CA C 59.628 0.300 1 406 567 37 TYR CB C 36.515 0.300 1 407 567 37 TYR CD1 C 134.133 0.300 1 408 567 37 TYR CE1 C 116.986 0.300 1 409 567 37 TYR N N 118.772 0.300 1 410 568 38 GLN H H 7.100 0.020 1 411 568 38 GLN HA H 3.204 0.020 1 412 568 38 GLN HB2 H 1.955 0.020 1 413 568 38 GLN HB3 H 2.003 0.020 1 414 568 38 GLN HG2 H 2.236 0.020 1 415 568 38 GLN HG3 H 2.496 0.020 1 416 568 38 GLN HE21 H 7.196 0.020 1 417 568 38 GLN HE22 H 6.775 0.020 1 418 568 38 GLN C C 178.172 0.300 1 419 568 38 GLN CA C 58.807 0.300 1 420 568 38 GLN CB C 28.812 0.300 1 421 568 38 GLN CG C 33.747 0.300 1 422 568 38 GLN N N 116.486 0.300 1 423 568 38 GLN NE2 N 112.039 0.300 1 424 569 39 TYR H H 8.623 0.020 1 425 569 39 TYR HA H 3.955 0.020 1 426 569 39 TYR HB2 H 2.841 0.020 1 427 569 39 TYR HB3 H 3.185 0.020 1 428 569 39 TYR HD1 H 6.820 0.020 3 429 569 39 TYR HD2 H 6.820 0.020 3 430 569 39 TYR HE1 H 6.833 0.020 3 431 569 39 TYR HE2 H 6.833 0.020 3 432 569 39 TYR HH H 11.426 0.020 1 433 569 39 TYR C C 177.639 0.300 1 434 569 39 TYR CA C 61.182 0.300 1 435 569 39 TYR CB C 39.298 0.300 1 436 569 39 TYR CD1 C 132.286 0.300 1 437 569 39 TYR CE1 C 120.591 0.300 1 438 569 39 TYR N N 120.192 0.300 1 439 570 40 LEU H H 8.854 0.020 1 440 570 40 LEU HA H 3.995 0.020 1 441 570 40 LEU HB2 H 1.735 0.020 1 442 570 40 LEU HB3 H 2.200 0.020 1 443 570 40 LEU HG H 1.919 0.020 1 444 570 40 LEU HD1 H 1.081 0.020 2 445 570 40 LEU HD2 H 1.207 0.020 2 446 570 40 LEU C C 180.646 0.300 1 447 570 40 LEU CA C 57.853 0.300 1 448 570 40 LEU CB C 42.483 0.300 1 449 570 40 LEU CG C 27.433 0.300 1 450 570 40 LEU CD1 C 26.102 0.300 1 451 570 40 LEU CD2 C 23.814 0.300 1 452 570 40 LEU N N 122.054 0.300 1 453 571 41 LYS H H 8.313 0.020 1 454 571 41 LYS HA H 4.150 0.020 1 455 571 41 LYS HB2 H 1.468 0.020 1 456 571 41 LYS HB3 H 1.572 0.020 1 457 571 41 LYS HG2 H .952 0.020 1 458 571 41 LYS HG3 H 1.235 0.020 1 459 571 41 LYS HD2 H 1.033 0.020 1 460 571 41 LYS HD3 H 1.325 0.020 1 461 571 41 LYS HE2 H 2.786 0.020 2 462 571 41 LYS HE3 H 2.786 0.020 2 463 571 41 LYS C C 178.087 0.300 1 464 571 41 LYS CA C 57.367 0.300 1 465 571 41 LYS CB C 31.122 0.300 1 466 571 41 LYS CG C 23.455 0.300 1 467 571 41 LYS CD C 27.194 0.300 1 468 571 41 LYS CE C 41.076 0.300 1 469 571 41 LYS N N 119.256 0.300 1 470 572 42 GLN H H 7.179 0.020 1 471 572 42 GLN HA H 4.133 0.020 1 472 572 42 GLN HB2 H 1.993 0.020 2 473 572 42 GLN HB3 H 1.993 0.020 2 474 572 42 GLN HG2 H 2.428 0.020 1 475 572 42 GLN HG3 H 2.566 0.020 1 476 572 42 GLN HE21 H 6.802 0.020 1 477 572 42 GLN HE22 H 7.546 0.020 1 478 572 42 GLN C C 175.559 0.300 1 479 572 42 GLN CA C 56.617 0.300 1 480 572 42 GLN CB C 29.506 0.300 1 481 572 42 GLN CG C 34.162 0.300 1 482 572 42 GLN N N 114.504 0.300 1 483 572 42 GLN NE2 N 109.751 0.300 1 484 573 43 ILE H H 7.571 0.020 1 485 573 43 ILE HA H 3.842 0.020 1 486 573 43 ILE HB H 2.126 0.020 1 487 573 43 ILE HG12 H .498 0.020 1 488 573 43 ILE HG13 H 1.759 0.020 1 489 573 43 ILE HG2 H .792 0.020 1 490 573 43 ILE HD1 H .588 0.020 1 491 573 43 ILE C C 174.770 0.300 1 492 573 43 ILE CA C 60.878 0.300 1 493 573 43 ILE CB C 38.281 0.300 1 494 573 43 ILE CG1 C 27.954 0.300 1 495 573 43 ILE CG2 C 18.491 0.300 1 496 573 43 ILE CD1 C 13.718 0.300 1 497 573 43 ILE N N 119.096 0.300 1 498 574 44 GLU H H 8.619 0.020 1 499 574 44 GLU HA H 4.487 0.020 1 500 574 44 GLU HB2 H 2.021 0.020 1 501 574 44 GLU HB3 H 2.123 0.020 1 502 574 44 GLU HG2 H 2.415 0.020 2 503 574 44 GLU HG3 H 2.415 0.020 2 504 574 44 GLU C C 176.360 0.300 1 505 574 44 GLU CA C 55.484 0.300 1 506 574 44 GLU CB C 29.183 0.300 1 507 574 44 GLU CG C 36.395 0.300 1 508 574 44 GLU N N 110.765 0.300 1 509 575 45 PRO HA H 3.815 0.020 1 510 575 45 PRO HB2 H 1.625 0.020 1 511 575 45 PRO HB3 H 1.880 0.020 1 512 575 45 PRO HG2 H 1.760 0.020 1 513 575 45 PRO HG3 H 2.118 0.020 1 514 575 45 PRO HD2 H 3.825 0.020 1 515 575 45 PRO HD3 H 4.012 0.020 1 516 575 45 PRO C C 177.723 0.300 1 517 575 45 PRO CA C 64.942 0.300 1 518 575 45 PRO CB C 31.194 0.300 1 519 575 45 PRO CG C 28.109 0.300 1 520 575 45 PRO CD C 50.465 0.300 1 521 576 46 SER H H 8.188 0.020 1 522 576 46 SER HA H 4.012 0.020 1 523 576 46 SER HB2 H 3.949 0.020 2 524 576 46 SER HB3 H 3.949 0.020 2 525 576 46 SER C C 175.900 0.300 1 526 576 46 SER CA C 60.562 0.300 1 527 576 46 SER CB C 62.338 0.300 1 528 576 46 SER N N 109.905 0.300 1 529 577 47 LEU H H 8.425 0.020 1 530 577 47 LEU HA H 4.390 0.020 1 531 577 47 LEU HB2 H 1.587 0.020 1 532 577 47 LEU HB3 H 1.954 0.020 1 533 577 47 LEU HG H 1.773 0.020 1 534 577 47 LEU HD1 H .896 0.020 2 535 577 47 LEU HD2 H 1.038 0.020 2 536 577 47 LEU C C 178.897 0.300 1 537 577 47 LEU CA C 55.585 0.300 1 538 577 47 LEU CB C 42.466 0.300 1 539 577 47 LEU CG C 27.477 0.300 1 540 577 47 LEU CD1 C 23.280 0.300 1 541 577 47 LEU CD2 C 25.230 0.300 1 542 577 47 LEU N N 121.227 0.300 1 543 578 48 TYR H H 8.420 0.020 1 544 578 48 TYR HA H 4.351 0.020 1 545 578 48 TYR HB2 H 2.959 0.020 1 546 578 48 TYR HB3 H 3.610 0.020 1 547 578 48 TYR HD1 H 6.950 0.020 3 548 578 48 TYR HD2 H 6.950 0.020 3 549 578 48 TYR HE1 H 6.662 0.020 3 550 578 48 TYR HE2 H 6.662 0.020 3 551 578 48 TYR HH H 8.914 0.020 1 552 578 48 TYR C C 174.693 0.300 1 553 578 48 TYR CA C 62.936 0.300 1 554 578 48 TYR CB C 35.094 0.300 1 555 578 48 TYR CD1 C 131.055 0.300 1 556 578 48 TYR CE1 C 117.476 0.300 1 557 578 48 TYR N N 121.400 0.300 1 558 579 49 PRO HA H 4.272 0.020 1 559 579 49 PRO HB2 H 1.863 0.020 1 560 579 49 PRO HB3 H 2.391 0.020 1 561 579 49 PRO HG2 H 2.077 0.020 2 562 579 49 PRO HG3 H 2.077 0.020 2 563 579 49 PRO HD2 H 3.694 0.020 1 564 579 49 PRO HD3 H 3.870 0.020 1 565 579 49 PRO C C 177.980 0.300 1 566 579 49 PRO CA C 65.601 0.300 1 567 579 49 PRO CB C 31.056 0.300 1 568 579 49 PRO CG C 28.099 0.300 1 569 579 49 PRO CD C 50.021 0.300 1 570 580 50 LYS H H 7.106 0.020 1 571 580 50 LYS HA H 4.218 0.020 1 572 580 50 LYS HB2 H 1.921 0.020 2 573 580 50 LYS HB3 H 1.921 0.020 2 574 580 50 LYS HG2 H 1.413 0.020 1 575 580 50 LYS HG3 H 1.526 0.020 1 576 580 50 LYS HD2 H 1.694 0.020 2 577 580 50 LYS HD3 H 1.694 0.020 2 578 580 50 LYS HE2 H 2.987 0.020 2 579 580 50 LYS HE3 H 2.987 0.020 2 580 580 50 LYS C C 178.407 0.300 1 581 580 50 LYS CA C 57.769 0.300 1 582 580 50 LYS CB C 32.836 0.300 1 583 580 50 LYS CG C 25.111 0.300 1 584 580 50 LYS CD C 29.220 0.300 1 585 580 50 LYS CE C 42.154 0.300 1 586 580 50 LYS N N 114.836 0.300 1 587 581 51 LEU H H 8.039 0.020 1 588 581 51 LEU HA H 3.895 0.020 1 589 581 51 LEU HB2 H .653 0.020 1 590 581 51 LEU HB3 H 1.110 0.020 1 591 581 51 LEU HG H 1.280 0.020 1 592 581 51 LEU HD1 H .418 0.020 2 593 581 51 LEU HD2 H .461 0.020 2 594 581 51 LEU C C 177.777 0.300 1 595 581 51 LEU CA C 57.166 0.300 1 596 581 51 LEU CB C 43.129 0.300 1 597 581 51 LEU CG C 26.563 0.300 1 598 581 51 LEU CD1 C 22.862 0.300 1 599 581 51 LEU CD2 C 25.239 0.300 1 600 581 51 LEU N N 119.541 0.300 1 601 582 52 PHE H H 8.080 0.020 1 602 582 52 PHE HA H 4.993 0.020 1 603 582 52 PHE HB2 H 2.978 0.020 1 604 582 52 PHE HB3 H 3.268 0.020 1 605 582 52 PHE HD1 H 7.298 0.020 3 606 582 52 PHE HD2 H 7.298 0.020 3 607 582 52 PHE HE1 H 6.623 0.020 3 608 582 52 PHE HE2 H 6.623 0.020 3 609 582 52 PHE HZ H 6.629 0.020 1 610 582 52 PHE C C 175.723 0.300 1 611 582 52 PHE CA C 56.412 0.300 1 612 582 52 PHE CB C 38.635 0.300 1 613 582 52 PHE CD1 C 132.083 0.300 1 614 582 52 PHE CE1 C 130.291 0.300 1 615 582 52 PHE CZ C 128.665 0.300 1 616 582 52 PHE N N 116.240 0.300 1 617 583 53 GLN H H 7.440 0.020 1 618 583 53 GLN HA H 4.216 0.020 1 619 583 53 GLN HB2 H 2.261 0.020 2 620 583 53 GLN HB3 H 2.261 0.020 2 621 583 53 GLN HG2 H 2.422 0.020 2 622 583 53 GLN HG3 H 2.422 0.020 2 623 583 53 GLN HE21 H 6.954 0.020 1 624 583 53 GLN HE22 H 7.686 0.020 1 625 583 53 GLN C C 176.839 0.300 1 626 583 53 GLN CA C 57.999 0.300 1 627 583 53 GLN CB C 29.574 0.300 1 628 583 53 GLN CG C 34.053 0.300 1 629 583 53 GLN N N 119.154 0.300 1 630 583 53 GLN NE2 N 112.528 0.300 1 631 584 54 LYS H H 8.324 0.020 1 632 584 54 LYS HA H 4.454 0.020 1 633 584 54 LYS HB2 H 1.830 0.020 1 634 584 54 LYS HB3 H 1.946 0.020 1 635 584 54 LYS HG2 H 1.473 0.020 1 636 584 54 LYS HG3 H 1.513 0.020 1 637 584 54 LYS HD2 H 1.701 0.020 2 638 584 54 LYS HD3 H 1.701 0.020 2 639 584 54 LYS HE2 H 3.033 0.020 2 640 584 54 LYS HE3 H 3.033 0.020 2 641 584 54 LYS C C 175.911 0.300 1 642 584 54 LYS CA C 56.274 0.300 1 643 584 54 LYS CB C 33.216 0.300 1 644 584 54 LYS CG C 25.059 0.300 1 645 584 54 LYS CD C 29.056 0.300 1 646 584 54 LYS CE C 42.131 0.300 1 647 584 54 LYS N N 117.783 0.300 1 648 585 55 ASN H H 7.837 0.020 1 649 585 55 ASN HA H 4.507 0.020 1 650 585 55 ASN HB2 H 2.634 0.020 1 651 585 55 ASN HB3 H 2.717 0.020 1 652 585 55 ASN HD21 H 7.636 0.020 1 653 585 55 ASN HD22 H 7.027 0.020 1 654 585 55 ASN C C 174.237 0.300 1 655 585 55 ASN CA C 53.960 0.300 1 656 585 55 ASN CB C 40.137 0.300 1 657 585 55 ASN N N 115.659 0.300 1 658 585 55 ASN ND2 N 113.342 0.300 1 659 586 56 LEU H H 8.104 0.020 1 660 586 56 LEU HA H 4.294 0.020 1 661 586 56 LEU HB2 H 1.178 0.020 1 662 586 56 LEU HB3 H 1.596 0.020 1 663 586 56 LEU HG H 1.188 0.020 1 664 586 56 LEU HD1 H .429 0.020 2 665 586 56 LEU HD2 H .728 0.020 2 666 586 56 LEU C C 174.013 0.300 1 667 586 56 LEU CA C 54.066 0.300 1 668 586 56 LEU CB C 42.810 0.300 1 669 586 56 LEU CG C 26.790 0.300 1 670 586 56 LEU CD1 C 21.829 0.300 1 671 586 56 LEU CD2 C 26.450 0.300 1 672 586 56 LEU N N 124.015 0.300 1 673 587 57 ASP H H 8.817 0.020 1 674 587 57 ASP HA H 4.760 0.020 1 675 587 57 ASP HB2 H 2.574 0.020 1 676 587 57 ASP HB3 H 2.729 0.020 1 677 587 57 ASP C C 175.412 0.300 1 678 587 57 ASP CA C 52.152 0.300 1 679 587 57 ASP CB C 42.526 0.300 1 680 587 57 ASP N N 110.113 0.300 1 681 588 58 PRO HA H 4.151 0.020 1 682 588 58 PRO HB2 H 2.065 0.020 1 683 588 58 PRO HB3 H 2.432 0.020 1 684 588 58 PRO HG2 H 1.852 0.020 1 685 588 58 PRO HG3 H 2.014 0.020 1 686 588 58 PRO HD2 H 3.769 0.020 1 687 588 58 PRO HD3 H 3.989 0.020 1 688 588 58 PRO C C 177.384 0.300 1 689 588 58 PRO CA C 65.984 0.300 1 690 588 58 PRO CB C 32.309 0.300 1 691 588 58 PRO CG C 27.710 0.300 1 692 588 58 PRO CD C 51.247 0.300 1 693 589 59 ASP H H 8.171 0.020 1 694 589 59 ASP HA H 4.628 0.020 1 695 589 59 ASP HB2 H 2.712 0.020 1 696 589 59 ASP HB3 H 2.846 0.020 1 697 589 59 ASP C C 179.654 0.300 1 698 589 59 ASP CA C 57.637 0.300 1 699 589 59 ASP CB C 40.738 0.300 1 700 589 59 ASP N N 117.043 0.300 1 701 590 60 VAL H H 7.867 0.020 1 702 590 60 VAL HA H 3.640 0.020 1 703 590 60 VAL HB H 2.227 0.020 1 704 590 60 VAL HG1 H .508 0.020 2 705 590 60 VAL HG2 H .914 0.020 2 706 590 60 VAL C C 177.473 0.300 1 707 590 60 VAL CA C 66.472 0.300 1 708 590 60 VAL CB C 31.678 0.300 1 709 590 60 VAL CG1 C 20.960 0.300 1 710 590 60 VAL CG2 C 23.223 0.300 1 711 590 60 VAL N N 122.221 0.300 1 712 591 61 PHE H H 8.183 0.020 1 713 591 61 PHE HA H 4.000 0.020 1 714 591 61 PHE HB2 H 2.857 0.020 1 715 591 61 PHE HB3 H 3.318 0.020 1 716 591 61 PHE HD1 H 7.215 0.020 3 717 591 61 PHE HD2 H 7.215 0.020 3 718 591 61 PHE HE1 H 7.401 0.020 3 719 591 61 PHE HE2 H 7.401 0.020 3 720 591 61 PHE HZ H 7.554 0.020 1 721 591 61 PHE C C 175.701 0.300 1 722 591 61 PHE CA C 61.437 0.300 1 723 591 61 PHE CB C 38.839 0.300 1 724 591 61 PHE CD1 C 132.145 0.300 1 725 591 61 PHE CE1 C 130.495 0.300 1 726 591 61 PHE N N 118.987 0.300 1 727 592 62 ASN H H 8.504 0.020 1 728 592 62 ASN HA H 4.131 0.020 1 729 592 62 ASN HB2 H 2.755 0.020 1 730 592 62 ASN HB3 H 2.957 0.020 1 731 592 62 ASN HD21 H 7.434 0.020 1 732 592 62 ASN HD22 H 6.684 0.020 1 733 592 62 ASN C C 178.707 0.300 1 734 592 62 ASN CA C 56.232 0.300 1 735 592 62 ASN CB C 38.213 0.300 1 736 592 62 ASN N N 116.212 0.300 1 737 592 62 ASN ND2 N 111.221 0.300 1 738 593 63 GLN H H 8.167 0.020 1 739 593 63 GLN HA H 4.273 0.020 1 740 593 63 GLN HB2 H 2.294 0.020 1 741 593 63 GLN HB3 H 2.505 0.020 1 742 593 63 GLN HG2 H 2.385 0.020 2 743 593 63 GLN HG3 H 2.385 0.020 2 744 593 63 GLN HE21 H 6.981 0.020 1 745 593 63 GLN HE22 H 7.381 0.020 1 746 593 63 GLN C C 178.609 0.300 1 747 593 63 GLN CA C 58.751 0.300 1 748 593 63 GLN CB C 29.807 0.300 1 749 593 63 GLN CG C 35.126 0.300 1 750 593 63 GLN N N 120.132 0.300 1 751 593 63 GLN NE2 N 111.874 0.300 1 752 594 64 ILE H H 8.707 0.020 1 753 594 64 ILE HA H 3.601 0.020 1 754 594 64 ILE HB H 2.025 0.020 1 755 594 64 ILE HG12 H 1.136 0.020 1 756 594 64 ILE HG13 H 2.297 0.020 1 757 594 64 ILE HG2 H .877 0.020 1 758 594 64 ILE HD1 H .818 0.020 1 759 594 64 ILE C C 177.415 0.300 1 760 594 64 ILE CA C 67.406 0.300 1 761 594 64 ILE CB C 37.878 0.300 1 762 594 64 ILE CG1 C 30.203 0.300 1 763 594 64 ILE CG2 C 16.871 0.300 1 764 594 64 ILE CD1 C 13.604 0.300 1 765 594 64 ILE N N 121.231 0.300 1 766 595 65 VAL H H 7.935 0.020 1 767 595 65 VAL HA H 3.287 0.020 1 768 595 65 VAL HB H 1.872 0.020 1 769 595 65 VAL HG1 H .499 0.020 2 770 595 65 VAL HG2 H .712 0.020 2 771 595 65 VAL C C 177.272 0.300 1 772 595 65 VAL CA C 67.428 0.300 1 773 595 65 VAL CB C 31.329 0.300 1 774 595 65 VAL CG1 C 22.035 0.300 1 775 595 65 VAL CG2 C 21.691 0.300 1 776 595 65 VAL N N 117.623 0.300 1 777 596 66 LYS H H 7.802 0.020 1 778 596 66 LYS HA H 3.940 0.020 1 779 596 66 LYS HB2 H 1.941 0.020 1 780 596 66 LYS HB3 H 2.099 0.020 1 781 596 66 LYS HG2 H 1.472 0.020 2 782 596 66 LYS HG3 H 1.472 0.020 2 783 596 66 LYS HD2 H 1.710 0.020 2 784 596 66 LYS HD3 H 1.710 0.020 2 785 596 66 LYS HE2 H 3.035 0.020 2 786 596 66 LYS HE3 H 3.035 0.020 2 787 596 66 LYS C C 178.386 0.300 1 788 596 66 LYS CA C 60.296 0.300 1 789 596 66 LYS CB C 32.639 0.300 1 790 596 66 LYS CG C 25.214 0.300 1 791 596 66 LYS CD C 29.337 0.300 1 792 596 66 LYS CE C 42.311 0.300 1 793 596 66 LYS N N 119.408 0.300 1 794 597 67 ILE H H 8.298 0.020 1 795 597 67 ILE HA H 4.208 0.020 1 796 597 67 ILE HB H 2.366 0.020 1 797 597 67 ILE HG12 H 1.429 0.020 1 798 597 67 ILE HG13 H 1.893 0.020 1 799 597 67 ILE HG2 H 1.276 0.020 1 800 597 67 ILE HD1 H .929 0.020 1 801 597 67 ILE C C 179.925 0.300 1 802 597 67 ILE CA C 62.892 0.300 1 803 597 67 ILE CB C 35.890 0.300 1 804 597 67 ILE CG1 C 28.025 0.300 1 805 597 67 ILE CG2 C 18.988 0.300 1 806 597 67 ILE CD1 C 11.029 0.300 1 807 597 67 ILE N N 120.723 0.300 1 808 598 68 LEU H H 8.847 0.020 1 809 598 68 LEU HA H 3.908 0.020 1 810 598 68 LEU HB2 H 1.083 0.020 1 811 598 68 LEU HB3 H 2.206 0.020 1 812 598 68 LEU HG H 1.782 0.020 1 813 598 68 LEU HD1 H .044 0.020 2 814 598 68 LEU HD2 H .585 0.020 2 815 598 68 LEU C C 178.673 0.300 1 816 598 68 LEU CA C 57.947 0.300 1 817 598 68 LEU CB C 41.969 0.300 1 818 598 68 LEU CG C 26.312 0.300 1 819 598 68 LEU CD1 C 22.148 0.300 1 820 598 68 LEU CD2 C 25.131 0.300 1 821 598 68 LEU N N 122.145 0.300 1 822 599 69 HIS H H 8.126 0.020 1 823 599 69 HIS HA H 3.895 0.020 1 824 599 69 HIS HB2 H 2.958 0.020 1 825 599 69 HIS HB3 H 3.351 0.020 1 826 599 69 HIS HD2 H 6.750 0.020 1 827 599 69 HIS HE1 H 7.788 0.020 1 828 599 69 HIS C C 176.636 0.300 1 829 599 69 HIS CA C 60.031 0.300 1 830 599 69 HIS CB C 29.922 0.300 1 831 599 69 HIS CD2 C 127.277 0.300 1 832 599 69 HIS CE1 C 139.803 0.300 1 833 599 69 HIS N N 116.816 0.300 1 834 600 70 ASP H H 9.541 0.020 1 835 600 70 ASP HA H 4.203 0.020 1 836 600 70 ASP HB2 H 2.326 0.020 1 837 600 70 ASP HB3 H 2.789 0.020 1 838 600 70 ASP C C 176.487 0.300 1 839 600 70 ASP CA C 56.675 0.300 1 840 600 70 ASP CB C 40.394 0.300 1 841 600 70 ASP N N 119.155 0.300 1 842 601 71 PHE H H 8.645 0.020 1 843 601 71 PHE HA H 4.409 0.020 1 844 601 71 PHE HB2 H 1.704 0.020 1 845 601 71 PHE HB3 H 2.789 0.020 1 846 601 71 PHE HD1 H 6.920 0.020 3 847 601 71 PHE HD2 H 6.920 0.020 3 848 601 71 PHE HE1 H 7.373 0.020 3 849 601 71 PHE HE2 H 7.373 0.020 3 850 601 71 PHE HZ H 7.176 0.020 1 851 601 71 PHE C C 175.719 0.300 1 852 601 71 PHE CA C 59.794 0.300 1 853 601 71 PHE CB C 42.019 0.300 1 854 601 71 PHE CD1 C 131.580 0.300 1 855 601 71 PHE CE1 C 132.112 0.300 1 856 601 71 PHE N N 114.579 0.300 1 857 602 72 TYR H H 7.997 0.020 1 858 602 72 TYR HA H 4.076 0.020 1 859 602 72 TYR HB2 H 2.572 0.020 1 860 602 72 TYR HB3 H 4.150 0.020 1 861 602 72 TYR HD1 H 6.924 0.020 3 862 602 72 TYR HD2 H 6.924 0.020 3 863 602 72 TYR HE1 H 6.852 0.020 3 864 602 72 TYR HE2 H 6.852 0.020 3 865 602 72 TYR HH H 9.525 0.020 1 866 602 72 TYR C C 178.531 0.300 1 867 602 72 TYR CA C 61.709 0.300 1 868 602 72 TYR CB C 37.681 0.300 1 869 602 72 TYR CD1 C 133.537 0.300 1 870 602 72 TYR CE1 C 118.574 0.300 1 871 602 72 TYR N N 118.284 0.300 1 872 603 73 ILE H H 7.224 0.020 1 873 603 73 ILE HA H 2.985 0.020 1 874 603 73 ILE HB H 1.544 0.020 1 875 603 73 ILE HG12 H .217 0.020 1 876 603 73 ILE HG13 H 1.705 0.020 1 877 603 73 ILE HG2 H .017 0.020 1 878 603 73 ILE HD1 H .564 0.020 1 879 603 73 ILE C C 177.873 0.300 1 880 603 73 ILE CA C 66.504 0.300 1 881 603 73 ILE CB C 36.202 0.300 1 882 603 73 ILE CG1 C 29.360 0.300 1 883 603 73 ILE CG2 C 15.066 0.300 1 884 603 73 ILE CD1 C 13.022 0.300 1 885 603 73 ILE N N 117.949 0.300 1 886 604 74 GLU H H 7.919 0.020 1 887 604 74 GLU HA H 4.063 0.020 1 888 604 74 GLU HB2 H 1.869 0.020 2 889 604 74 GLU HB3 H 1.869 0.020 2 890 604 74 GLU HG2 H 2.043 0.020 1 891 604 74 GLU HG3 H 2.230 0.020 1 892 604 74 GLU C C 178.471 0.300 1 893 604 74 GLU CA C 58.447 0.300 1 894 604 74 GLU CB C 30.792 0.300 1 895 604 74 GLU CG C 36.415 0.300 1 896 604 74 GLU N N 116.167 0.300 1 897 605 75 LYS H H 7.610 0.020 1 898 605 75 LYS HA H 4.426 0.020 1 899 605 75 LYS HB2 H 1.755 0.020 1 900 605 75 LYS HB3 H 2.043 0.020 1 901 605 75 LYS HG2 H 1.446 0.020 2 902 605 75 LYS HG3 H 1.446 0.020 2 903 605 75 LYS HD2 H 1.570 0.020 1 904 605 75 LYS HD3 H 1.735 0.020 1 905 605 75 LYS HE2 H 2.995 0.020 1 906 605 75 LYS HE3 H 3.138 0.020 1 907 605 75 LYS C C 176.839 0.300 1 908 605 75 LYS CA C 57.839 0.300 1 909 605 75 LYS CB C 35.891 0.300 1 910 605 75 LYS CG C 25.961 0.300 1 911 605 75 LYS CD C 29.274 0.300 1 912 605 75 LYS CE C 42.402 0.300 1 913 605 75 LYS N N 114.321 0.300 1 914 606 76 GLU H H 8.568 0.020 1 915 606 76 GLU HA H 4.871 0.020 1 916 606 76 GLU HB2 H 1.740 0.020 1 917 606 76 GLU HB3 H 2.253 0.020 1 918 606 76 GLU HG2 H 1.245 0.020 1 919 606 76 GLU HG3 H 1.729 0.020 1 920 606 76 GLU C C 175.677 0.300 1 921 606 76 GLU CA C 53.215 0.300 1 922 606 76 GLU CB C 31.801 0.300 1 923 606 76 GLU CG C 34.323 0.300 1 924 606 76 GLU N N 116.963 0.300 1 925 607 77 LYS H H 9.147 0.020 1 926 607 77 LYS HA H 4.689 0.020 1 927 607 77 LYS HB2 H 1.901 0.020 1 928 607 77 LYS HB3 H 2.117 0.020 1 929 607 77 LYS HG2 H 1.664 0.020 1 930 607 77 LYS HG3 H 1.749 0.020 1 931 607 77 LYS HD2 H 1.812 0.020 1 932 607 77 LYS HD3 H 1.909 0.020 1 933 607 77 LYS HE2 H 3.094 0.020 2 934 607 77 LYS HE3 H 3.094 0.020 2 935 607 77 LYS C C 176.745 0.300 1 936 607 77 LYS CA C 54.559 0.300 1 937 607 77 LYS CB C 32.281 0.300 1 938 607 77 LYS CG C 25.287 0.300 1 939 607 77 LYS CD C 29.220 0.300 1 940 607 77 LYS CE C 42.256 0.300 1 941 607 77 LYS N N 121.895 0.300 1 942 608 78 PRO HA H 4.211 0.020 1 943 608 78 PRO HB2 H 2.015 0.020 1 944 608 78 PRO HB3 H 2.091 0.020 1 945 608 78 PRO HG2 H 2.126 0.020 1 946 608 78 PRO HG3 H 2.302 0.020 1 947 608 78 PRO HD2 H 4.047 0.020 1 948 608 78 PRO HD3 H 4.140 0.020 1 949 608 78 PRO C C 177.818 0.300 1 950 608 78 PRO CA C 65.751 0.300 1 951 608 78 PRO CB C 32.033 0.300 1 952 608 78 PRO CG C 27.915 0.300 1 953 608 78 PRO CD C 50.621 0.300 1 954 609 79 LEU H H 8.317 0.020 1 955 609 79 LEU HA H 4.139 0.020 1 956 609 79 LEU HB2 H 1.677 0.020 2 957 609 79 LEU HB3 H 1.677 0.020 2 958 609 79 LEU HG H 1.791 0.020 1 959 609 79 LEU HD1 H .951 0.020 2 960 609 79 LEU HD2 H 1.033 0.020 2 961 609 79 LEU C C 178.257 0.300 1 962 609 79 LEU CA C 57.922 0.300 1 963 609 79 LEU CB C 42.286 0.300 1 964 609 79 LEU CG C 27.209 0.300 1 965 609 79 LEU CD1 C 25.294 0.300 1 966 609 79 LEU CD2 C 23.941 0.300 1 967 609 79 LEU N N 115.375 0.300 1 968 610 80 LEU H H 7.316 0.020 1 969 610 80 LEU HA H 4.509 0.020 1 970 610 80 LEU HB2 H 1.739 0.020 1 971 610 80 LEU HB3 H 2.314 0.020 1 972 610 80 LEU HG H 1.817 0.020 1 973 610 80 LEU HD1 H 1.173 0.020 2 974 610 80 LEU HD2 H 1.175 0.020 2 975 610 80 LEU C C 178.065 0.300 1 976 610 80 LEU CA C 57.644 0.300 1 977 610 80 LEU CB C 41.865 0.300 1 978 610 80 LEU CG C 27.395 0.300 1 979 610 80 LEU CD1 C 26.887 0.300 1 980 610 80 LEU CD2 C 22.880 0.300 1 981 610 80 LEU N N 120.249 0.300 1 982 611 81 ILE H H 7.180 0.020 1 983 611 81 ILE HA H 3.422 0.020 1 984 611 81 ILE HB H 2.200 0.020 1 985 611 81 ILE HG12 H .912 0.020 1 986 611 81 ILE HG13 H 2.071 0.020 1 987 611 81 ILE HG2 H .816 0.020 1 988 611 81 ILE HD1 H .846 0.020 1 989 611 81 ILE C C 177.048 0.300 1 990 611 81 ILE CA C 66.176 0.300 1 991 611 81 ILE CB C 38.195 0.300 1 992 611 81 ILE CG1 C 29.843 0.300 1 993 611 81 ILE CG2 C 18.201 0.300 1 994 611 81 ILE CD1 C 14.086 0.300 1 995 611 81 ILE N N 116.162 0.300 1 996 612 82 PHE H H 8.152 0.020 1 997 612 82 PHE HA H 3.843 0.020 1 998 612 82 PHE HB2 H 2.934 0.020 1 999 612 82 PHE HB3 H 3.294 0.020 1 1000 612 82 PHE HD1 H 7.084 0.020 3 1001 612 82 PHE HD2 H 7.084 0.020 3 1002 612 82 PHE HE1 H 7.253 0.020 3 1003 612 82 PHE HE2 H 7.253 0.020 3 1004 612 82 PHE HZ H 7.168 0.020 1 1005 612 82 PHE C C 175.469 0.300 1 1006 612 82 PHE CA C 61.736 0.300 1 1007 612 82 PHE CB C 39.245 0.300 1 1008 612 82 PHE CD1 C 131.345 0.300 1 1009 612 82 PHE CE1 C 131.053 0.300 1 1010 612 82 PHE N N 117.129 0.300 1 1011 613 83 GLU H H 8.578 0.020 1 1012 613 83 GLU HA H 3.785 0.020 1 1013 613 83 GLU HB2 H 2.088 0.020 1 1014 613 83 GLU HB3 H 2.319 0.020 1 1015 613 83 GLU HG2 H 2.100 0.020 1 1016 613 83 GLU HG3 H 2.509 0.020 1 1017 613 83 GLU C C 179.035 0.300 1 1018 613 83 GLU CA C 59.815 0.300 1 1019 613 83 GLU CB C 29.722 0.300 1 1020 613 83 GLU CG C 36.555 0.300 1 1021 613 83 GLU N N 119.177 0.300 1 1022 614 84 ILE H H 8.145 0.020 1 1023 614 84 ILE HA H 3.275 0.020 1 1024 614 84 ILE HB H 1.806 0.020 1 1025 614 84 ILE HG12 H .986 0.020 1 1026 614 84 ILE HG13 H 1.778 0.020 1 1027 614 84 ILE HG2 H .894 0.020 1 1028 614 84 ILE HD1 H .909 0.020 1 1029 614 84 ILE C C 177.521 0.300 1 1030 614 84 ILE CA C 66.520 0.300 1 1031 614 84 ILE CB C 37.806 0.300 1 1032 614 84 ILE CG1 C 30.375 0.300 1 1033 614 84 ILE CG2 C 17.414 0.300 1 1034 614 84 ILE CD1 C 14.695 0.300 1 1035 614 84 ILE N N 119.594 0.300 1 1036 615 85 LEU H H 8.131 0.020 1 1037 615 85 LEU HA H 4.231 0.020 1 1038 615 85 LEU HB2 H 1.115 0.020 1 1039 615 85 LEU HB3 H 1.748 0.020 1 1040 615 85 LEU HG H 1.709 0.020 1 1041 615 85 LEU HD1 H .056 0.020 2 1042 615 85 LEU HD2 H .531 0.020 2 1043 615 85 LEU C C 181.927 0.300 1 1044 615 85 LEU CA C 57.307 0.300 1 1045 615 85 LEU CB C 41.328 0.300 1 1046 615 85 LEU CG C 26.222 0.300 1 1047 615 85 LEU CD1 C 26.077 0.300 1 1048 615 85 LEU CD2 C 20.938 0.300 1 1049 615 85 LEU N N 117.844 0.300 1 1050 616 86 GLN H H 8.897 0.020 1 1051 616 86 GLN HA H 3.814 0.020 1 1052 616 86 GLN HB2 H 1.594 0.020 1 1053 616 86 GLN HB3 H 1.903 0.020 1 1054 616 86 GLN HG2 H 1.926 0.020 1 1055 616 86 GLN HG3 H 2.005 0.020 1 1056 616 86 GLN HE21 H 7.435 0.020 1 1057 616 86 GLN HE22 H 6.657 0.020 1 1058 616 86 GLN C C 179.341 0.300 1 1059 616 86 GLN CA C 59.055 0.300 1 1060 616 86 GLN CB C 28.274 0.300 1 1061 616 86 GLN CG C 33.840 0.300 1 1062 616 86 GLN N N 122.052 0.300 1 1063 616 86 GLN NE2 N 112.285 0.300 1 1064 617 87 ARG H H 8.771 0.020 1 1065 617 87 ARG HA H 3.939 0.020 1 1066 617 87 ARG HB2 H 1.608 0.020 1 1067 617 87 ARG HB3 H 1.979 0.020 1 1068 617 87 ARG HG2 H 1.520 0.020 1 1069 617 87 ARG HG3 H 1.928 0.020 1 1070 617 87 ARG HD2 H 2.973 0.020 1 1071 617 87 ARG HD3 H 3.092 0.020 1 1072 617 87 ARG HE H 7.639 0.020 1 1073 617 87 ARG C C 180.878 0.300 1 1074 617 87 ARG CA C 58.628 0.300 1 1075 617 87 ARG CB C 31.066 0.300 1 1076 617 87 ARG CG C 26.047 0.300 1 1077 617 87 ARG CD C 43.474 0.300 1 1078 617 87 ARG N N 120.903 0.300 1 1079 617 87 ARG NE N 85.314 0.300 1 1080 618 88 LEU H H 8.661 0.020 1 1081 618 88 LEU HA H 3.973 0.020 1 1082 618 88 LEU HB2 H 1.437 0.020 1 1083 618 88 LEU HB3 H 2.207 0.020 1 1084 618 88 LEU HG H 2.166 0.020 1 1085 618 88 LEU HD1 H .853 0.020 2 1086 618 88 LEU HD2 H 1.062 0.020 2 1087 618 88 LEU C C 177.340 0.300 1 1088 618 88 LEU CA C 58.128 0.300 1 1089 618 88 LEU CB C 41.909 0.300 1 1090 618 88 LEU CG C 26.857 0.300 1 1091 618 88 LEU CD1 C 23.203 0.300 1 1092 618 88 LEU CD2 C 25.640 0.300 1 1093 618 88 LEU N N 118.023 0.300 1 1094 619 89 SER H H 6.728 0.020 1 1095 619 89 SER HA H 1.474 0.020 1 1096 619 89 SER HB2 H 3.085 0.020 1 1097 619 89 SER HB3 H 3.349 0.020 1 1098 619 89 SER HG H 6.083 0.020 1 1099 619 89 SER C C 174.248 0.300 1 1100 619 89 SER CA C 58.859 0.300 1 1101 619 89 SER CB C 63.259 0.300 1 1102 619 89 SER N N 110.103 0.300 1 1103 620 90 GLU H H 6.946 0.020 1 1104 620 90 GLU HA H 4.252 0.020 1 1105 620 90 GLU HB2 H 1.975 0.020 1 1106 620 90 GLU HB3 H 2.202 0.020 1 1107 620 90 GLU HG2 H 2.148 0.020 1 1108 620 90 GLU HG3 H 2.395 0.020 1 1109 620 90 GLU C C 177.052 0.300 1 1110 620 90 GLU CA C 55.610 0.300 1 1111 620 90 GLU CB C 30.043 0.300 1 1112 620 90 GLU CG C 36.087 0.300 1 1113 620 90 GLU N N 120.543 0.300 1 1114 621 91 LEU H H 7.351 0.020 1 1115 621 91 LEU HA H 4.430 0.020 1 1116 621 91 LEU HB2 H 1.571 0.020 1 1117 621 91 LEU HB3 H 1.936 0.020 1 1118 621 91 LEU HG H 2.303 0.020 1 1119 621 91 LEU HD1 H .951 0.020 2 1120 621 91 LEU HD2 H .853 0.020 2 1121 621 91 LEU C C 178.119 0.300 1 1122 621 91 LEU CA C 54.307 0.300 1 1123 621 91 LEU CB C 42.251 0.300 1 1124 621 91 LEU CG C 26.002 0.300 1 1125 621 91 LEU CD1 C 22.371 0.300 1 1126 621 91 LEU CD2 C 28.559 0.300 1 1127 621 91 LEU N N 120.409 0.300 1 1128 622 92 LYS H H 9.041 0.020 1 1129 622 92 LYS HA H 4.104 0.020 1 1130 622 92 LYS HB2 H 1.847 0.020 2 1131 622 92 LYS HB3 H 1.847 0.020 2 1132 622 92 LYS HG2 H 1.573 0.020 1 1133 622 92 LYS HG3 H 1.657 0.020 1 1134 622 92 LYS HD2 H 1.786 0.020 2 1135 622 92 LYS HD3 H 1.786 0.020 2 1136 622 92 LYS HE2 H 3.099 0.020 2 1137 622 92 LYS HE3 H 3.099 0.020 2 1138 622 92 LYS C C 177.329 0.300 1 1139 622 92 LYS CA C 58.393 0.300 1 1140 622 92 LYS CB C 32.482 0.300 1 1141 622 92 LYS CG C 25.332 0.300 1 1142 622 92 LYS CD C 29.182 0.300 1 1143 622 92 LYS CE C 42.266 0.300 1 1144 622 92 LYS N N 123.850 0.300 1 1145 623 93 ARG H H 8.789 0.020 1 1146 623 93 ARG HA H 4.225 0.020 1 1147 623 93 ARG HB2 H 1.715 0.020 2 1148 623 93 ARG HB3 H 1.715 0.020 2 1149 623 93 ARG HD2 H 3.238 0.020 2 1150 623 93 ARG HD3 H 3.238 0.020 2 1151 623 93 ARG HE H 7.499 0.020 1 1152 623 93 ARG C C 177.323 0.300 1 1153 623 93 ARG CA C 57.080 0.300 1 1154 623 93 ARG CB C 28.486 0.300 1 1155 623 93 ARG N N 114.685 0.300 1 1156 623 93 ARG NE N 84.870 0.300 1 1157 624 94 PHE H H 7.855 0.020 1 1158 624 94 PHE HA H 3.714 0.020 1 1159 624 94 PHE HB2 H 2.764 0.020 1 1160 624 94 PHE HB3 H 3.275 0.020 1 1161 624 94 PHE HD1 H 6.647 0.020 3 1162 624 94 PHE HD2 H 6.647 0.020 3 1163 624 94 PHE HE1 H 6.789 0.020 3 1164 624 94 PHE HE2 H 6.789 0.020 3 1165 624 94 PHE HZ H 5.379 0.020 1 1166 624 94 PHE C C 175.431 0.300 1 1167 624 94 PHE CA C 61.585 0.300 1 1168 624 94 PHE CB C 39.507 0.300 1 1169 624 94 PHE CZ C 129.270 0.300 1 1170 624 94 PHE N N 123.194 0.300 1 1171 625 95 ASP H H 8.704 0.020 1 1172 625 95 ASP HA H 3.790 0.020 1 1173 625 95 ASP HB2 H 2.543 0.020 1 1174 625 95 ASP HB3 H 2.702 0.020 1 1175 625 95 ASP C C 178.772 0.300 1 1176 625 95 ASP CA C 56.930 0.300 1 1177 625 95 ASP CB C 39.040 0.300 1 1178 625 95 ASP N N 116.646 0.300 1 1179 626 96 MET H H 7.436 0.020 1 1180 626 96 MET HA H 4.058 0.020 1 1181 626 96 MET HB2 H 2.430 0.020 1 1182 626 96 MET HB3 H 2.567 0.020 1 1183 626 96 MET HG2 H 1.970 0.020 2 1184 626 96 MET HG3 H 1.970 0.020 2 1185 626 96 MET HE H 1.946 0.020 1 1186 626 96 MET C C 176.785 0.300 1 1187 626 96 MET CA C 57.380 0.300 1 1188 626 96 MET CB C 32.224 0.300 1 1189 626 96 MET CG C 32.323 0.300 1 1190 626 96 MET CE C 16.990 0.300 1 1191 626 96 MET N N 119.569 0.300 1 1192 627 97 ALA H H 7.185 0.020 1 1193 627 97 ALA HA H 3.832 0.020 1 1194 627 97 ALA HB H .805 0.020 1 1195 627 97 ALA C C 179.936 0.300 1 1196 627 97 ALA CA C 55.249 0.300 1 1197 627 97 ALA CB C 16.222 0.300 1 1198 627 97 ALA N N 122.377 0.300 1 1199 628 98 VAL H H 7.405 0.020 1 1200 628 98 VAL HA H 3.495 0.020 1 1201 628 98 VAL HB H 1.481 0.020 1 1202 628 98 VAL HG1 H .062 0.020 2 1203 628 98 VAL HG2 H .619 0.020 2 1204 628 98 VAL C C 179.154 0.300 1 1205 628 98 VAL CA C 65.523 0.300 1 1206 628 98 VAL CB C 31.811 0.300 1 1207 628 98 VAL CG1 C 22.852 0.300 1 1208 628 98 VAL CG2 C 20.627 0.300 1 1209 628 98 VAL N N 116.402 0.300 1 1210 629 99 MET H H 7.452 0.020 1 1211 629 99 MET HA H 4.017 0.020 1 1212 629 99 MET HB2 H 1.872 0.020 1 1213 629 99 MET HB3 H 2.005 0.020 1 1214 629 99 MET HG2 H 2.284 0.020 1 1215 629 99 MET HG3 H 2.372 0.020 1 1216 629 99 MET HE H 2.053 0.020 1 1217 629 99 MET C C 177.317 0.300 1 1218 629 99 MET CA C 58.074 0.300 1 1219 629 99 MET CB C 32.330 0.300 1 1220 629 99 MET CG C 31.691 0.300 1 1221 629 99 MET CE C 17.377 0.300 1 1222 629 99 MET N N 118.935 0.300 1 1223 630 100 PHE H H 7.451 0.020 1 1224 630 100 PHE HA H 4.653 0.020 1 1225 630 100 PHE HB2 H 2.901 0.020 1 1226 630 100 PHE HB3 H 3.528 0.020 1 1227 630 100 PHE HD1 H 7.333 0.020 3 1228 630 100 PHE HD2 H 7.333 0.020 3 1229 630 100 PHE C C 176.052 0.300 1 1230 630 100 PHE CA C 57.377 0.300 1 1231 630 100 PHE CB C 39.035 0.300 1 1232 630 100 PHE CD1 C 131.299 0.300 1 1233 630 100 PHE N N 115.809 0.300 1 1234 631 101 MET H H 7.458 0.020 1 1235 631 101 MET HA H 4.388 0.020 1 1236 631 101 MET HB2 H 2.235 0.020 1 1237 631 101 MET HB3 H 2.331 0.020 1 1238 631 101 MET HG2 H 2.753 0.020 1 1239 631 101 MET HG3 H 3.403 0.020 1 1240 631 101 MET HE H 2.281 0.020 1 1241 631 101 MET C C 176.541 0.300 1 1242 631 101 MET CA C 58.526 0.300 1 1243 631 101 MET CB C 36.047 0.300 1 1244 631 101 MET CG C 32.544 0.300 1 1245 631 101 MET CE C 17.167 0.300 1 1246 631 101 MET N N 121.062 0.300 1 1247 632 102 SER H H 9.539 0.020 1 1248 632 102 SER HA H 4.768 0.020 1 1249 632 102 SER HB2 H 4.150 0.020 1 1250 632 102 SER HB3 H 4.471 0.020 1 1251 632 102 SER C C 175.172 0.300 1 1252 632 102 SER CA C 56.981 0.300 1 1253 632 102 SER CB C 65.955 0.300 1 1254 632 102 SER N N 121.058 0.300 1 1255 633 103 GLU H H 9.134 0.020 1 1256 633 103 GLU HA H 4.107 0.020 1 1257 633 103 GLU HB2 H 2.131 0.020 1 1258 633 103 GLU HB3 H 2.172 0.020 1 1259 633 103 GLU HG2 H 2.417 0.020 2 1260 633 103 GLU HG3 H 2.417 0.020 2 1261 633 103 GLU C C 179.003 0.300 1 1262 633 103 GLU CA C 60.037 0.300 1 1263 633 103 GLU CB C 29.232 0.300 1 1264 633 103 GLU CG C 36.073 0.300 1 1265 633 103 GLU N N 120.578 0.300 1 1266 634 104 THR H H 8.130 0.020 1 1267 634 104 THR HA H 3.880 0.020 1 1268 634 104 THR HB H 4.012 0.020 1 1269 634 104 THR HG2 H 1.199 0.020 1 1270 634 104 THR C C 176.363 0.300 1 1271 634 104 THR CA C 66.696 0.300 1 1272 634 104 THR CB C 68.582 0.300 1 1273 634 104 THR CG2 C 21.908 0.300 1 1274 634 104 THR N N 115.057 0.300 1 1275 635 105 GLU H H 7.464 0.020 1 1276 635 105 GLU HA H 3.905 0.020 1 1277 635 105 GLU HB2 H 2.114 0.020 1 1278 635 105 GLU HB3 H 2.389 0.020 1 1279 635 105 GLU HG2 H 2.069 0.020 1 1280 635 105 GLU HG3 H 2.569 0.020 1 1281 635 105 GLU C C 179.074 0.300 1 1282 635 105 GLU CA C 60.650 0.300 1 1283 635 105 GLU CB C 28.958 0.300 1 1284 635 105 GLU CG C 37.721 0.300 1 1285 635 105 GLU N N 121.781 0.300 1 1286 636 106 LYS H H 8.704 0.020 1 1287 636 106 LYS HA H 4.109 0.020 1 1288 636 106 LYS HB2 H 1.944 0.020 2 1289 636 106 LYS HB3 H 1.944 0.020 2 1290 636 106 LYS HG2 H 1.564 0.020 1 1291 636 106 LYS HG3 H 1.692 0.020 1 1292 636 106 LYS HD2 H 1.717 0.020 2 1293 636 106 LYS HD3 H 1.717 0.020 2 1294 636 106 LYS HE2 H 2.979 0.020 2 1295 636 106 LYS HE3 H 2.979 0.020 2 1296 636 106 LYS C C 179.198 0.300 1 1297 636 106 LYS CA C 60.191 0.300 1 1298 636 106 LYS CB C 32.639 0.300 1 1299 636 106 LYS CG C 26.493 0.300 1 1300 636 106 LYS CD C 29.728 0.300 1 1301 636 106 LYS CE C 42.182 0.300 1 1302 636 106 LYS N N 120.261 0.300 1 1303 637 107 LYS H H 7.972 0.020 1 1304 637 107 LYS HA H 3.984 0.020 1 1305 637 107 LYS HB2 H 1.981 0.020 2 1306 637 107 LYS HB3 H 1.981 0.020 2 1307 637 107 LYS HG2 H 1.435 0.020 1 1308 637 107 LYS HG3 H 1.711 0.020 1 1309 637 107 LYS HD2 H 1.720 0.020 2 1310 637 107 LYS HD3 H 1.720 0.020 2 1311 637 107 LYS HE2 H 2.985 0.020 2 1312 637 107 LYS HE3 H 2.985 0.020 2 1313 637 107 LYS C C 179.758 0.300 1 1314 637 107 LYS CA C 60.248 0.300 1 1315 637 107 LYS CB C 32.575 0.300 1 1316 637 107 LYS CG C 25.560 0.300 1 1317 637 107 LYS CD C 29.617 0.300 1 1318 637 107 LYS CE C 42.222 0.300 1 1319 637 107 LYS N N 119.756 0.300 1 1320 638 108 ILE H H 7.566 0.020 1 1321 638 108 ILE HA H 3.516 0.020 1 1322 638 108 ILE HB H 1.857 0.020 1 1323 638 108 ILE HG12 H .641 0.020 1 1324 638 108 ILE HG13 H 1.527 0.020 1 1325 638 108 ILE HG2 H .628 0.020 1 1326 638 108 ILE HD1 H .551 0.020 1 1327 638 108 ILE C C 177.572 0.300 1 1328 638 108 ILE CA C 64.562 0.300 1 1329 638 108 ILE CB C 37.266 0.300 1 1330 638 108 ILE CG1 C 28.330 0.300 1 1331 638 108 ILE CG2 C 18.301 0.300 1 1332 638 108 ILE CD1 C 12.415 0.300 1 1333 638 108 ILE N N 121.396 0.300 1 1334 639 109 ALA H H 8.080 0.020 1 1335 639 109 ALA HA H 3.963 0.020 1 1336 639 109 ALA HB H 1.651 0.020 1 1337 639 109 ALA C C 179.497 0.300 1 1338 639 109 ALA CA C 55.968 0.300 1 1339 639 109 ALA CB C 17.144 0.300 1 1340 639 109 ALA N N 121.656 0.300 1 1341 640 110 ARG H H 8.511 0.020 1 1342 640 110 ARG HA H 4.227 0.020 1 1343 640 110 ARG HB2 H 1.977 0.020 1 1344 640 110 ARG HB3 H 2.026 0.020 1 1345 640 110 ARG HG2 H 1.753 0.020 1 1346 640 110 ARG HG3 H 1.953 0.020 1 1347 640 110 ARG HD2 H 3.213 0.020 1 1348 640 110 ARG HD3 H 3.348 0.020 1 1349 640 110 ARG HE H 7.568 0.020 1 1350 640 110 ARG C C 179.167 0.300 1 1351 640 110 ARG CA C 60.030 0.300 1 1352 640 110 ARG CB C 30.277 0.300 1 1353 640 110 ARG CG C 27.906 0.300 1 1354 640 110 ARG CD C 43.772 0.300 1 1355 640 110 ARG N N 116.968 0.300 1 1356 640 110 ARG NE N 85.224 0.300 1 1357 641 111 ALA H H 8.029 0.020 1 1358 641 111 ALA HA H 4.368 0.020 1 1359 641 111 ALA HB H 1.810 0.020 1 1360 641 111 ALA C C 181.864 0.300 1 1361 641 111 ALA CA C 55.138 0.300 1 1362 641 111 ALA CB C 18.399 0.300 1 1363 641 111 ALA N N 122.060 0.300 1 1364 642 112 LEU H H 8.276 0.020 1 1365 642 112 LEU HA H 4.029 0.020 1 1366 642 112 LEU HB2 H .969 0.020 1 1367 642 112 LEU HB3 H 2.110 0.020 1 1368 642 112 LEU HG H 1.859 0.020 1 1369 642 112 LEU HD1 H .749 0.020 2 1370 642 112 LEU HD2 H .932 0.020 2 1371 642 112 LEU C C 178.896 0.300 1 1372 642 112 LEU CA C 58.497 0.300 1 1373 642 112 LEU CB C 41.997 0.300 1 1374 642 112 LEU CG C 27.152 0.300 1 1375 642 112 LEU CD1 C 24.143 0.300 1 1376 642 112 LEU CD2 C 27.386 0.300 1 1377 642 112 LEU N N 120.738 0.300 1 1378 643 113 PHE H H 8.057 0.020 1 1379 643 113 PHE HA H 4.087 0.020 1 1380 643 113 PHE HB2 H 3.004 0.020 1 1381 643 113 PHE HB3 H 3.138 0.020 1 1382 643 113 PHE HD1 H 7.333 0.020 3 1383 643 113 PHE HD2 H 7.333 0.020 3 1384 643 113 PHE HE1 H 6.851 0.020 3 1385 643 113 PHE HE2 H 6.851 0.020 3 1386 643 113 PHE HZ H 6.644 0.020 1 1387 643 113 PHE C C 178.373 0.300 1 1388 643 113 PHE CA C 63.863 0.300 1 1389 643 113 PHE CB C 38.495 0.300 1 1390 643 113 PHE CD1 C 131.634 0.300 1 1391 643 113 PHE N N 116.980 0.300 1 1392 644 114 ASN H H 8.784 0.020 1 1393 644 114 ASN HA H 4.624 0.020 1 1394 644 114 ASN HB2 H 2.968 0.020 2 1395 644 114 ASN HB3 H 2.968 0.020 2 1396 644 114 ASN HD21 H 7.001 0.020 1 1397 644 114 ASN HD22 H 7.856 0.020 1 1398 644 114 ASN C C 177.119 0.300 1 1399 644 114 ASN CA C 56.406 0.300 1 1400 644 114 ASN CB C 38.244 0.300 1 1401 644 114 ASN N N 120.240 0.300 1 1402 644 114 ASN ND2 N 112.368 0.300 1 1403 645 115 HIS H H 7.999 0.020 1 1404 645 115 HIS HA H 4.489 0.020 1 1405 645 115 HIS HB2 H 3.154 0.020 1 1406 645 115 HIS HB3 H 3.392 0.020 1 1407 645 115 HIS HD2 H 6.513 0.020 1 1408 645 115 HIS HE1 H 7.800 0.020 1 1409 645 115 HIS C C 178.514 0.300 1 1410 645 115 HIS CA C 59.940 0.300 1 1411 645 115 HIS CB C 30.946 0.300 1 1412 645 115 HIS CD2 C 115.603 0.300 1 1413 645 115 HIS CE1 C 140.030 0.300 1 1414 645 115 HIS N N 119.602 0.300 1 1415 646 116 ILE H H 8.249 0.020 1 1416 646 116 ILE HA H 3.423 0.020 1 1417 646 116 ILE HB H 2.078 0.020 1 1418 646 116 ILE HG12 H 1.223 0.020 1 1419 646 116 ILE HG13 H 1.708 0.020 1 1420 646 116 ILE HG2 H 1.016 0.020 1 1421 646 116 ILE HD1 H .655 0.020 1 1422 646 116 ILE C C 177.785 0.300 1 1423 646 116 ILE CA C 65.996 0.300 1 1424 646 116 ILE CB C 37.871 0.300 1 1425 646 116 ILE CG1 C 28.742 0.300 1 1426 646 116 ILE CG2 C 18.858 0.300 1 1427 646 116 ILE CD1 C 13.329 0.300 1 1428 646 116 ILE N N 119.911 0.300 1 1429 647 117 ASP H H 8.318 0.020 1 1430 647 117 ASP HA H 4.423 0.020 1 1431 647 117 ASP HB2 H 2.808 0.020 1 1432 647 117 ASP HB3 H 2.949 0.020 1 1433 647 117 ASP C C 179.311 0.300 1 1434 647 117 ASP CA C 57.745 0.300 1 1435 647 117 ASP CB C 41.948 0.300 1 1436 647 117 ASP N N 121.436 0.300 1 1437 648 118 LYS H H 8.169 0.020 1 1438 648 118 LYS HA H 4.147 0.020 1 1439 648 118 LYS HB2 H 1.960 0.020 2 1440 648 118 LYS HB3 H 1.960 0.020 2 1441 648 118 LYS HG2 H 1.568 0.020 1 1442 648 118 LYS HG3 H 1.608 0.020 1 1443 648 118 LYS HD2 H 1.717 0.020 2 1444 648 118 LYS HD3 H 1.717 0.020 2 1445 648 118 LYS HE2 H 3.042 0.020 2 1446 648 118 LYS HE3 H 3.042 0.020 2 1447 648 118 LYS C C 178.256 0.300 1 1448 648 118 LYS CA C 58.129 0.300 1 1449 648 118 LYS CB C 32.078 0.300 1 1450 648 118 LYS CG C 24.901 0.300 1 1451 648 118 LYS CD C 29.165 0.300 1 1452 648 118 LYS CE C 42.157 0.300 1 1453 648 118 LYS N N 119.754 0.300 1 1454 649 119 SER H H 7.717 0.020 1 1455 649 119 SER HA H 4.329 0.020 1 1456 649 119 SER HB2 H 3.828 0.020 2 1457 649 119 SER HB3 H 3.828 0.020 2 1458 649 119 SER C C 174.070 0.300 1 1459 649 119 SER CA C 59.801 0.300 1 1460 649 119 SER CB C 63.477 0.300 1 1461 649 119 SER N N 113.845 0.300 1 1462 650 120 GLY H H 7.970 0.020 1 1463 650 120 GLY HA2 H 3.696 0.020 1 1464 650 120 GLY HA3 H 4.213 0.020 1 1465 650 120 GLY C C 174.269 0.300 1 1466 650 120 GLY CA C 45.588 0.300 1 1467 650 120 GLY N N 108.582 0.300 1 1468 651 121 LEU H H 7.609 0.020 1 1469 651 121 LEU HA H 4.346 0.020 1 1470 651 121 LEU HB2 H 1.238 0.020 1 1471 651 121 LEU HB3 H 1.497 0.020 1 1472 651 121 LEU HG H 1.400 0.020 1 1473 651 121 LEU HD1 H .589 0.020 2 1474 651 121 LEU HD2 H .670 0.020 2 1475 651 121 LEU C C 175.410 0.300 1 1476 651 121 LEU CA C 55.013 0.300 1 1477 651 121 LEU CB C 40.326 0.300 1 1478 651 121 LEU CG C 27.338 0.300 1 1479 651 121 LEU CD1 C 24.035 0.300 1 1480 651 121 LEU CD2 C 25.251 0.300 1 1481 651 121 LEU N N 122.904 0.300 1 1482 652 122 LYS H H 8.090 0.020 1 1483 652 122 LYS HA H 4.355 0.020 1 1484 652 122 LYS HB2 H 1.665 0.020 1 1485 652 122 LYS HB3 H 1.875 0.020 1 1486 652 122 LYS HG2 H 1.351 0.020 2 1487 652 122 LYS HG3 H 1.351 0.020 2 1488 652 122 LYS HD2 H 1.655 0.020 2 1489 652 122 LYS HD3 H 1.655 0.020 2 1490 652 122 LYS HE2 H 2.978 0.020 2 1491 652 122 LYS HE3 H 2.978 0.020 2 1492 652 122 LYS C C 175.900 0.300 1 1493 652 122 LYS CA C 55.660 0.300 1 1494 652 122 LYS CB C 33.301 0.300 1 1495 652 122 LYS CG C 24.383 0.300 1 1496 652 122 LYS CD C 29.129 0.300 1 1497 652 122 LYS CE C 42.147 0.300 1 1498 652 122 LYS N N 123.039 0.300 1 1499 653 123 ASP H H 7.931 0.020 1 1500 653 123 ASP HA H 4.586 0.020 1 1501 653 123 ASP HB2 H 2.689 0.020 1 1502 653 123 ASP HB3 H 2.830 0.020 1 1503 653 123 ASP C C 177.063 0.300 1 1504 653 123 ASP CA C 55.011 0.300 1 1505 653 123 ASP CB C 42.243 0.300 1 1506 653 123 ASP N N 121.564 0.300 1 1507 654 124 SER H H 8.773 0.020 1 1508 654 124 SER HA H 4.285 0.020 1 1509 654 124 SER HB2 H 3.882 0.020 1 1510 654 124 SER HB3 H 3.950 0.020 1 1511 654 124 SER C C 176.035 0.300 1 1512 654 124 SER CA C 61.223 0.300 1 1513 654 124 SER CB C 62.729 0.300 1 1514 654 124 SER N N 117.790 0.300 1 1515 655 125 SER H H 8.553 0.020 1 1516 655 125 SER HA H 4.457 0.020 1 1517 655 125 SER HB2 H 4.073 0.020 2 1518 655 125 SER HB3 H 4.073 0.020 2 1519 655 125 SER C C 177.020 0.300 1 1520 655 125 SER CA C 60.980 0.300 1 1521 655 125 SER CB C 62.643 0.300 1 1522 655 125 SER N N 118.980 0.300 1 1523 656 126 VAL H H 7.939 0.020 1 1524 656 126 VAL HA H 3.889 0.020 1 1525 656 126 VAL HB H 2.284 0.020 1 1526 656 126 VAL HG1 H .704 0.020 2 1527 656 126 VAL HG2 H 1.128 0.020 2 1528 656 126 VAL C C 177.287 0.300 1 1529 656 126 VAL CA C 66.830 0.300 1 1530 656 126 VAL CB C 31.450 0.300 1 1531 656 126 VAL CG1 C 22.172 0.300 1 1532 656 126 VAL CG2 C 22.081 0.300 1 1533 656 126 VAL N N 125.250 0.300 1 1534 657 127 GLU H H 7.823 0.020 1 1535 657 127 GLU HA H 3.934 0.020 1 1536 657 127 GLU HB2 H 2.091 0.020 1 1537 657 127 GLU HB3 H 2.138 0.020 1 1538 657 127 GLU HG2 H 2.321 0.020 2 1539 657 127 GLU HG3 H 2.321 0.020 2 1540 657 127 GLU C C 179.263 0.300 1 1541 657 127 GLU CA C 59.491 0.300 1 1542 657 127 GLU CB C 29.316 0.300 1 1543 657 127 GLU CG C 35.909 0.300 1 1544 657 127 GLU N N 119.421 0.300 1 1545 658 128 GLU H H 8.037 0.020 1 1546 658 128 GLU HA H 4.057 0.020 1 1547 658 128 GLU HB2 H 2.117 0.020 2 1548 658 128 GLU HB3 H 2.117 0.020 2 1549 658 128 GLU HG2 H 2.377 0.020 2 1550 658 128 GLU HG3 H 2.377 0.020 2 1551 658 128 GLU C C 179.012 0.300 1 1552 658 128 GLU CA C 59.075 0.300 1 1553 658 128 GLU CB C 29.530 0.300 1 1554 658 128 GLU CG C 36.175 0.300 1 1555 658 128 GLU N N 117.948 0.300 1 1556 659 129 LEU H H 7.853 0.020 1 1557 659 129 LEU HA H 4.273 0.020 1 1558 659 129 LEU HB2 H 1.919 0.020 1 1559 659 129 LEU HB3 H 2.282 0.020 1 1560 659 129 LEU HG H 2.050 0.020 1 1561 659 129 LEU HD1 H .843 0.020 2 1562 659 129 LEU HD2 H 1.151 0.020 2 1563 659 129 LEU C C 178.727 0.300 1 1564 659 129 LEU CA C 57.750 0.300 1 1565 659 129 LEU CB C 42.038 0.300 1 1566 659 129 LEU CG C 26.759 0.300 1 1567 659 129 LEU CD1 C 27.095 0.300 1 1568 659 129 LEU CD2 C 24.581 0.300 1 1569 659 129 LEU N N 121.857 0.300 1 1570 660 130 LYS H H 8.488 0.020 1 1571 660 130 LYS HA H 2.615 0.020 1 1572 660 130 LYS HB2 H 1.414 0.020 1 1573 660 130 LYS HB3 H 1.646 0.020 1 1574 660 130 LYS HG2 H .723 0.020 1 1575 660 130 LYS HG3 H .847 0.020 1 1576 660 130 LYS HD2 H 1.579 0.020 2 1577 660 130 LYS HD3 H 1.579 0.020 2 1578 660 130 LYS HE2 H 2.792 0.020 2 1579 660 130 LYS HE3 H 2.792 0.020 2 1580 660 130 LYS C C 179.998 0.300 1 1581 660 130 LYS CA C 59.851 0.300 1 1582 660 130 LYS CB C 32.442 0.300 1 1583 660 130 LYS CG C 25.231 0.300 1 1584 660 130 LYS CD C 29.899 0.300 1 1585 660 130 LYS CE C 41.829 0.300 1 1586 660 130 LYS N N 119.999 0.300 1 1587 661 131 LYS H H 7.429 0.020 1 1588 661 131 LYS HA H 4.057 0.020 1 1589 661 131 LYS HB2 H 1.973 0.020 2 1590 661 131 LYS HB3 H 1.973 0.020 2 1591 661 131 LYS HG2 H 1.482 0.020 1 1592 661 131 LYS HG3 H 1.637 0.020 1 1593 661 131 LYS HD2 H 1.716 0.020 2 1594 661 131 LYS HD3 H 1.716 0.020 2 1595 661 131 LYS HE2 H 2.968 0.020 2 1596 661 131 LYS HE3 H 2.968 0.020 2 1597 661 131 LYS C C 180.585 0.300 1 1598 661 131 LYS CA C 59.046 0.300 1 1599 661 131 LYS CB C 32.037 0.300 1 1600 661 131 LYS CG C 25.123 0.300 1 1601 661 131 LYS CD C 29.295 0.300 1 1602 661 131 LYS CE C 42.216 0.300 1 1603 661 131 LYS N N 117.479 0.300 1 1604 662 132 ARG H H 7.949 0.020 1 1605 662 132 ARG HA H 4.261 0.020 1 1606 662 132 ARG HB2 H 2.137 0.020 1 1607 662 132 ARG HB3 H 2.384 0.020 1 1608 662 132 ARG HG2 H 1.903 0.020 1 1609 662 132 ARG HG3 H 2.083 0.020 1 1610 662 132 ARG HD2 H 3.258 0.020 2 1611 662 132 ARG HD3 H 3.258 0.020 2 1612 662 132 ARG HE H 7.577 0.020 1 1613 662 132 ARG C C 177.341 0.300 1 1614 662 132 ARG CA C 58.548 0.300 1 1615 662 132 ARG CB C 29.420 0.300 1 1616 662 132 ARG CG C 27.719 0.300 1 1617 662 132 ARG CD C 42.985 0.300 1 1618 662 132 ARG N N 120.572 0.300 1 1619 662 132 ARG NE N 83.998 0.300 1 1620 663 133 TYR H H 7.656 0.020 1 1621 663 133 TYR HA H 4.317 0.020 1 1622 663 133 TYR HB2 H 2.921 0.020 1 1623 663 133 TYR HB3 H 3.405 0.020 1 1624 663 133 TYR HD1 H 6.796 0.020 3 1625 663 133 TYR HD2 H 6.796 0.020 3 1626 663 133 TYR HE1 H 6.830 0.020 3 1627 663 133 TYR HE2 H 6.830 0.020 3 1628 663 133 TYR HH H 9.253 0.020 1 1629 663 133 TYR C C 175.146 0.300 1 1630 663 133 TYR CA C 60.007 0.300 1 1631 663 133 TYR CB C 39.380 0.300 1 1632 663 133 TYR CD1 C 131.110 0.300 1 1633 663 133 TYR CE1 C 118.124 0.300 1 1634 663 133 TYR N N 115.648 0.300 1 1635 664 134 GLY H H 7.696 0.020 1 1636 664 134 GLY HA2 H 3.818 0.020 1 1637 664 134 GLY HA3 H 4.116 0.020 1 1638 664 134 GLY C C 174.630 0.300 1 1639 664 134 GLY CA C 45.967 0.300 1 1640 664 134 GLY N N 106.478 0.300 1 1641 665 135 GLY H H 8.059 0.020 1 1642 665 135 GLY HA2 H 3.419 0.020 1 1643 665 135 GLY HA3 H 3.805 0.020 1 1644 665 135 GLY C C 178.332 0.300 1 1645 665 135 GLY CA C 45.967 0.300 1 1646 665 135 GLY N N 114.351 0.300 1 stop_ save_