data_15020 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the N-WASP EVH1 domain in complex with an extended WIP peptide ; _BMRB_accession_number 15020 _BMRB_flat_file_name bmr15020.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-09 _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 Volkman B. F. . 2 Peterson F. C. . 3 Deng Q. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 790 "13C chemical shifts" 578 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-04 original author . stop_ _Original_release_date 2007-05-04 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Multiple WASP-interacting protein recognition motifs are required for a functional interaction with N-WASP' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17229736 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson F. C. . 2 Deng Q. . . 3 Zettl M. . . 4 Prehoda K. E. . 5 Lim W. A. . 6 Way M. . . 7 Volkman B. F. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 11 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8446 _Page_last 8453 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name exWIP-EVH1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'WIP-EVH1 polypeptide' $WIP-EVH1_polypeptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_WIP-EVH1_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WIP-EVH1_polypeptide _Molecular_mass . _Mol_thiol_state 'all free' _Details 'fusion protein' ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; GSESRFYFHPISDLPPPEPY VQTTKSYPSKLARNESRGGL VPRGSGGSLFSFLGKKCVTM SSAVVQLYAADRNCMWSKKC SGVACLVKDNPQRSYFLRIF DIKDGKLLWEQELYNNFVYN SPRGYFHTFAGDTCQVALNF ANEEEAKKFRKAVTDLLGRR QRKSEKRRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 449 GLY 2 450 SER 3 451 GLU 4 452 SER 5 453 ARG 6 454 PHE 7 455 TYR 8 456 PHE 9 457 HIS 10 458 PRO 11 459 ILE 12 460 SER 13 461 ASP 14 462 LEU 15 463 PRO 16 464 PRO 17 465 PRO 18 466 GLU 19 467 PRO 20 468 TYR 21 469 VAL 22 470 GLN 23 471 THR 24 472 THR 25 473 LYS 26 474 SER 27 475 TYR 28 476 PRO 29 477 SER 30 478 LYS 31 479 LEU 32 480 ALA 33 481 ARG 34 482 ASN 35 483 GLU 36 484 SER 37 485 ARG 38 516 GLY 39 517 GLY 40 518 LEU 41 519 VAL 42 520 PRO 43 521 ARG 44 522 GLY 45 523 SER 46 524 GLY 47 525 GLY 48 526 SER 49 527 LEU 50 528 PHE 51 529 SER 52 530 PHE 53 531 LEU 54 532 GLY 55 533 LYS 56 534 LYS 57 535 CYS 58 536 VAL 59 537 THR 60 538 MET 61 539 SER 62 540 SER 63 541 ALA 64 542 VAL 65 543 VAL 66 544 GLN 67 545 LEU 68 546 TYR 69 547 ALA 70 548 ALA 71 549 ASP 72 550 ARG 73 551 ASN 74 552 CYS 75 553 MET 76 554 TRP 77 555 SER 78 556 LYS 79 557 LYS 80 558 CYS 81 559 SER 82 560 GLY 83 561 VAL 84 562 ALA 85 563 CYS 86 564 LEU 87 565 VAL 88 566 LYS 89 567 ASP 90 568 ASN 91 569 PRO 92 570 GLN 93 571 ARG 94 572 SER 95 573 TYR 96 574 PHE 97 575 LEU 98 576 ARG 99 577 ILE 100 578 PHE 101 579 ASP 102 580 ILE 103 581 LYS 104 582 ASP 105 583 GLY 106 584 LYS 107 585 LEU 108 586 LEU 109 587 TRP 110 588 GLU 111 589 GLN 112 590 GLU 113 591 LEU 114 592 TYR 115 593 ASN 116 594 ASN 117 595 PHE 118 596 VAL 119 597 TYR 120 598 ASN 121 599 SER 122 600 PRO 123 601 ARG 124 602 GLY 125 603 TYR 126 604 PHE 127 605 HIS 128 606 THR 129 607 PHE 130 608 ALA 131 609 GLY 132 610 ASP 133 611 THR 134 612 CYS 135 613 GLN 136 614 VAL 137 615 ALA 138 616 LEU 139 617 ASN 140 618 PHE 141 619 ALA 142 620 ASN 143 621 GLU 144 622 GLU 145 623 GLU 146 624 ALA 147 625 LYS 148 626 LYS 149 627 PHE 150 628 ARG 151 629 LYS 152 630 ALA 153 631 VAL 154 632 THR 155 633 ASP 156 634 LEU 157 635 LEU 158 636 GLY 159 637 ARG 160 638 ARG 161 639 GLN 162 640 ARG 163 641 LYS 164 642 SER 165 643 GLU 166 644 LYS 167 645 ARG 168 646 ARG 169 647 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 2IFS "Structure Of The N-Wasp Evh1 Domain In Complex With An Extended Wip Peptide" 100.00 169 100.00 100.00 1.43e-121 DBJ BAA11082 "N-WASP [Bos taurus]" 72.19 505 99.18 100.00 1.89e-83 DBJ BAA20128 "N-WASP [Homo sapiens]" 72.19 505 98.36 100.00 7.60e-83 DBJ BAA21534 "N-WASP [Rattus rattus]" 72.19 501 100.00 100.00 1.42e-83 DBJ BAB29159 "unnamed protein product [Mus musculus]" 71.01 193 97.50 98.33 6.54e-80 DBJ BAE24270 "unnamed protein product [Mus musculus]" 72.19 188 99.18 100.00 2.31e-83 EMBL CAC69994 "N-WASP protein [Mus musculus]" 72.19 501 99.18 100.00 2.76e-83 EMBL CAH89371 "hypothetical protein [Pongo abelii]" 72.19 506 99.18 100.00 2.61e-83 EMBL CAH91010 "hypothetical protein [Pongo abelii]" 72.19 494 99.18 100.00 2.19e-83 EMBL CAL26602 "WASL protein [Homo sapiens]" 72.19 505 99.18 100.00 2.34e-83 GB AAH19951 "Wasl protein, partial [Mus musculus]" 72.19 187 99.18 100.00 1.94e-83 GB AAH52955 "Wiskott-Aldrich syndrome-like [Homo sapiens]" 72.19 505 99.18 100.00 2.26e-83 GB AAH55045 "Wiskott-Aldrich syndrome-like (human) [Mus musculus]" 72.19 501 98.36 100.00 1.15e-82 GB AAH58642 "Wasl protein, partial [Mus musculus]" 72.19 189 99.18 100.00 1.53e-83 GB AAI51608 "Wiskott-Aldrich syndrome-like [Bos taurus]" 72.19 505 99.18 100.00 2.39e-83 REF NP_001103835 "neural Wiskott-Aldrich syndrome protein [Rattus norvegicus]" 72.19 501 100.00 100.00 1.90e-83 REF NP_001128797 "neural Wiskott-Aldrich syndrome protein [Pongo abelii]" 72.19 505 99.18 100.00 2.39e-83 REF NP_001161217 "neural Wiskott-Aldrich syndrome protein isoform 2 [Mus musculus]" 71.01 193 97.50 98.33 6.54e-80 REF NP_001253726 "neural Wiskott-Aldrich syndrome protein [Macaca mulatta]" 72.19 505 99.18 100.00 2.57e-83 REF NP_003932 "neural Wiskott-Aldrich syndrome protein [Homo sapiens]" 72.19 505 99.18 100.00 2.26e-83 SP O00401 "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" 72.19 505 99.18 100.00 2.26e-83 SP O08816 "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" 72.19 501 100.00 100.00 1.42e-83 SP Q91YD9 "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" 72.19 501 99.18 100.00 2.76e-83 SP Q95107 "RecName: Full=Neural Wiskott-Aldrich syndrome protein; Short=N-WASP" 72.19 505 99.18 100.00 1.89e-83 TPG DAA30422 "TPA: neural Wiskott-Aldrich syndrome protein [Bos taurus]" 72.19 505 99.18 100.00 1.89e-83 stop_ 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 $WIP-EVH1_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens WASPIP $WIP-EVH1_polypeptide Rat 10116 Eukaryota Metazoa Rattus norvegicus wasl 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 $WIP-EVH1_polypeptide 'recombinant technology' bacteria Escherichia coli . pBH4 $WIP-EVH1_polypeptide 'recombinant technology' bacteria Escherichia coli BL21(DE3) pBH4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM U-15N/13C protein, 20 mM sodium phosphate, 1 mM Dithiothreitol, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WIP-EVH1_polypeptide 1.0 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM none Dithiothreitol 1 mM none H2O 90 mM none D2O 10 mM none stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 loop_ _Vendor _Address _Electronic_address 'R.W. Glaser' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' 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_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (AROMATIC)' _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' 0.044 . M pH 7.0 . pH pressure 1 . atm temperature 303 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citations $citations stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' 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 'WIP-EVH1 polypeptide' _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 1 451 3 GLU C C 176.919 0.1 1 2 451 3 GLU CA C 57.223 0.1 1 3 451 3 GLU CB C 30.560 0.1 1 4 451 3 GLU CG C 36.772 0.1 1 5 452 4 SER H H 8.322 0.02 1 6 452 4 SER C C 174.799 0.1 1 7 452 4 SER CA C 59.004 0.1 1 8 452 4 SER N N 116.812 0.1 1 9 453 5 ARG H H 8.820 0.02 1 10 453 5 ARG C C 176.377 0.1 1 11 453 5 ARG CA C 57.430 0.1 1 12 453 5 ARG CB C 33.293 0.1 1 13 453 5 ARG CG C 25.176 0.1 1 14 453 5 ARG CD C 42.487 0.1 1 15 453 5 ARG N N 123.149 0.1 1 16 454 6 PHE H H 8.126 0.02 1 17 454 6 PHE HA H 4.590 0.02 1 18 454 6 PHE HB2 H 2.670 0.02 1 19 454 6 PHE HB3 H 2.670 0.02 1 20 454 6 PHE HD1 H 7.054 0.02 1 21 454 6 PHE HD2 H 7.054 0.02 1 22 454 6 PHE HE1 H 7.244 0.02 1 23 454 6 PHE HE2 H 7.244 0.02 1 24 454 6 PHE C C 174.302 0.1 1 25 454 6 PHE CA C 56.707 0.1 1 26 454 6 PHE CB C 40.582 0.1 1 27 454 6 PHE CD1 C 131.920 0.1 1 28 454 6 PHE N N 122.468 0.1 1 29 455 7 TYR H H 9.040 0.02 1 30 455 7 TYR HA H 4.432 0.02 1 31 455 7 TYR HB2 H 2.827 0.02 2 32 455 7 TYR HB3 H 2.632 0.02 2 33 455 7 TYR HD1 H 6.718 0.02 1 34 455 7 TYR HD2 H 6.718 0.02 1 35 455 7 TYR HE1 H 6.228 0.02 1 36 455 7 TYR HE2 H 6.228 0.02 1 37 455 7 TYR C C 174.989 0.1 1 38 455 7 TYR CA C 57.780 0.1 1 39 455 7 TYR CB C 39.926 0.1 1 40 455 7 TYR CD1 C 133.473 0.1 1 41 455 7 TYR CE1 C 117.684 0.1 1 42 455 7 TYR N N 126.132 0.1 1 43 456 8 PHE H H 7.925 0.02 1 44 456 8 PHE HA H 4.525 0.02 1 45 456 8 PHE HB2 H 2.655 0.02 2 46 456 8 PHE HB3 H 2.444 0.02 2 47 456 8 PHE HD1 H 6.895 0.02 1 48 456 8 PHE HD2 H 6.895 0.02 1 49 456 8 PHE HE1 H 7.247 0.02 1 50 456 8 PHE HE2 H 7.247 0.02 1 51 456 8 PHE C C 175.304 0.1 1 52 456 8 PHE CA C 56.428 0.1 1 53 456 8 PHE CB C 40.573 0.1 1 54 456 8 PHE CD1 C 132.179 0.1 1 55 456 8 PHE CE1 C 132.179 0.1 1 56 456 8 PHE N N 123.239 0.1 1 57 457 9 HIS H H 9.684 0.02 1 58 457 9 HIS HA H 4.060 0.02 1 59 457 9 HIS HB2 H 2.916 0.02 2 60 457 9 HIS HB3 H 2.682 0.02 2 61 457 9 HIS HD2 H 7.144 0.02 1 62 457 9 HIS HE1 H 8.138 0.02 1 63 457 9 HIS CA C 56.104 0.1 1 64 457 9 HIS CB C 27.631 0.1 1 65 457 9 HIS CD2 C 121.308 0.1 1 66 457 9 HIS CE1 C 136.320 0.1 1 67 457 9 HIS N N 123.400 0.1 1 68 458 10 PRO HA H 4.727 0.02 1 69 458 10 PRO HB2 H 2.365 0.02 2 70 458 10 PRO HB3 H 2.092 0.02 2 71 458 10 PRO HG2 H 1.922 0.02 2 72 458 10 PRO HG3 H 1.833 0.02 2 73 458 10 PRO HD2 H 3.543 0.02 1 74 458 10 PRO HD3 H 3.543 0.02 1 75 458 10 PRO C C 177.343 0.1 1 76 458 10 PRO CA C 63.223 0.1 1 77 458 10 PRO CB C 34.749 0.1 1 78 458 10 PRO CG C 25.042 0.1 1 79 458 10 PRO CD C 50.280 0.1 1 80 459 11 ILE H H 8.378 0.02 1 81 459 11 ILE HA H 3.669 0.02 1 82 459 11 ILE HB H 1.815 0.02 1 83 459 11 ILE HG12 H 1.421 0.02 2 84 459 11 ILE HG13 H 1.149 0.02 2 85 459 11 ILE HG2 H 0.962 0.02 1 86 459 11 ILE HD1 H 0.723 0.02 1 87 459 11 ILE C C 177.423 0.1 1 88 459 11 ILE CA C 63.223 0.1 1 89 459 11 ILE CB C 38.955 0.1 1 90 459 11 ILE CG1 C 29.249 0.1 1 91 459 11 ILE CG2 C 17.602 0.1 1 92 459 11 ILE CD1 C 14.371 0.1 1 93 459 11 ILE N N 119.400 0.1 1 94 460 12 SER H H 7.686 0.02 1 95 460 12 SER HA H 4.167 0.02 1 96 460 12 SER HB2 H 3.996 0.02 2 97 460 12 SER HB3 H 3.848 0.02 2 98 460 12 SER C C 175.382 0.1 1 99 460 12 SER CA C 60.434 0.1 1 100 460 12 SER CB C 62.899 0.1 1 101 460 12 SER N N 114.194 0.1 1 102 461 13 ASP H H 7.795 0.02 1 103 461 13 ASP HA H 4.787 0.02 1 104 461 13 ASP HB2 H 2.966 0.02 2 105 461 13 ASP HB3 H 2.667 0.02 2 106 461 13 ASP C C 175.899 0.1 1 107 461 13 ASP CA C 54.968 0.1 1 108 461 13 ASP CB C 42.191 0.1 1 109 461 13 ASP N N 121.127 0.1 1 110 462 14 LEU H H 7.338 0.02 1 111 462 14 LEU HA H 4.011 0.02 1 112 462 14 LEU HB2 H 1.308 0.02 2 113 462 14 LEU HB3 H 0.189 0.02 2 114 462 14 LEU HG H 1.460 0.02 1 115 462 14 LEU HD1 H -0.143 0.02 2 116 462 14 LEU HD2 H 0.034 0.02 2 117 462 14 LEU CA C 52.545 0.1 1 118 462 14 LEU CB C 38.955 0.1 1 119 462 14 LEU CG C 25.890 0.1 1 120 462 14 LEU CD1 C 23.748 0.1 1 121 462 14 LEU CD2 C 21.489 0.1 1 122 462 14 LEU N N 120.907 0.1 1 123 463 15 PRO HA H 4.670 0.02 1 124 463 15 PRO HB2 H 2.246 0.02 2 125 463 15 PRO HB3 H 2.118 0.02 2 126 463 15 PRO HG2 H 2.225 0.02 2 127 463 15 PRO HG3 H 1.795 0.02 2 128 463 15 PRO HD2 H 3.203 0.02 2 129 463 15 PRO HD3 H 2.916 0.02 2 130 463 15 PRO CA C 61.281 0.1 1 131 463 15 PRO CB C 30.866 0.1 1 132 463 15 PRO CG C 27.346 0.1 1 133 463 15 PRO CD C 49.633 0.1 1 134 464 16 PRO HA H 4.493 0.02 1 135 464 16 PRO HB2 H 2.298 0.02 2 136 464 16 PRO HB3 H 1.795 0.02 2 137 464 16 PRO HG2 H 2.000 0.02 1 138 464 16 PRO HG3 H 2.000 0.02 1 139 464 16 PRO HD2 H 3.740 0.02 2 140 464 16 PRO HD3 H 3.582 0.02 2 141 464 16 PRO CA C 61.928 0.1 1 142 464 16 PRO CB C 30.741 0.1 1 143 464 16 PRO CG C 27.631 0.1 1 144 464 16 PRO CD C 50.280 0.1 1 145 465 17 PRO HA H 4.106 0.02 1 146 465 17 PRO HB2 H 1.148 0.02 2 147 465 17 PRO HB3 H 0.285 0.02 2 148 465 17 PRO HG2 H 0.973 0.02 2 149 465 17 PRO HG3 H -0.245 0.02 2 150 465 17 PRO HD2 H 3.086 0.02 2 151 465 17 PRO HD3 H 2.085 0.02 2 152 465 17 PRO C C 176.800 0.1 1 153 465 17 PRO CA C 62.899 0.1 1 154 465 17 PRO CB C 30.738 0.1 1 155 465 17 PRO CG C 26.660 0.1 1 156 465 17 PRO CD C 49.669 0.1 1 157 466 18 GLU H H 8.944 0.02 1 158 466 18 GLU HA H 4.280 0.02 1 159 466 18 GLU HB2 H 1.970 0.02 2 160 466 18 GLU HB3 H 1.705 0.02 2 161 466 18 GLU HG2 H 2.333 0.02 1 162 466 18 GLU HG3 H 2.333 0.02 1 163 466 18 GLU CA C 55.457 0.1 1 164 466 18 GLU CG C 37.338 0.1 1 165 466 18 GLU N N 124.684 0.1 1 166 467 19 PRO HA H 4.200 0.02 1 167 467 19 PRO HB2 H 2.225 0.02 2 168 467 19 PRO HB3 H 1.693 0.02 2 169 467 19 PRO HG2 H 2.021 0.02 2 170 467 19 PRO HG3 H 1.919 0.02 2 171 467 19 PRO HD2 H 3.731 0.02 2 172 467 19 PRO HD3 H 3.524 0.02 2 173 467 19 PRO C C 176.097 0.1 1 174 467 19 PRO CA C 63.441 0.1 1 175 467 19 PRO CB C 32.161 0.1 1 176 467 19 PRO CG C 28.278 0.1 1 177 467 19 PRO CD C 50.280 0.1 1 178 468 20 TYR H H 8.564 0.02 1 179 468 20 TYR HA H 4.544 0.02 1 180 468 20 TYR HB2 H 2.980 0.02 2 181 468 20 TYR HB3 H 2.897 0.02 2 182 468 20 TYR HD1 H 6.998 0.02 1 183 468 20 TYR HD2 H 6.998 0.02 1 184 468 20 TYR HE1 H 6.643 0.02 1 185 468 20 TYR HE2 H 6.643 0.02 1 186 468 20 TYR C C 174.799 0.1 1 187 468 20 TYR CA C 57.920 0.1 1 188 468 20 TYR CB C 41.168 0.1 1 189 468 20 TYR CD1 C 133.193 0.1 1 190 468 20 TYR CE1 C 118.432 0.1 1 191 468 20 TYR N N 126.248 0.1 1 192 469 21 VAL H H 7.801 0.02 1 193 469 21 VAL HA H 3.994 0.02 1 194 469 21 VAL HB H 1.708 0.02 1 195 469 21 VAL HG1 H 0.740 0.02 2 196 469 21 VAL HG2 H 0.737 0.02 2 197 469 21 VAL C C 174.587 0.1 1 198 469 21 VAL CA C 60.958 0.1 1 199 469 21 VAL CB C 33.694 0.1 1 200 469 21 VAL CG1 C 20.919 0.1 1 201 469 21 VAL CG2 C 20.842 0.1 1 202 469 21 VAL N N 129.456 0.1 1 203 470 22 GLN H H 8.543 0.02 1 204 470 22 GLN HA H 4.085 0.02 1 205 470 22 GLN HB2 H 2.068 0.02 2 206 470 22 GLN HB3 H 1.984 0.02 2 207 470 22 GLN HG2 H 2.423 0.02 1 208 470 22 GLN HG3 H 2.423 0.02 1 209 470 22 GLN HE21 H 7.518 0.02 2 210 470 22 GLN HE22 H 6.921 0.02 2 211 470 22 GLN C C 175.607 0.1 1 212 470 22 GLN CA C 56.302 0.1 1 213 470 22 GLN CB C 28.395 0.1 1 214 470 22 GLN CG C 34.102 0.1 1 215 470 22 GLN N N 127.247 0.1 1 216 470 22 GLN NE2 N 112.217 0.1 1 217 471 23 THR H H 7.817 0.02 1 218 471 23 THR HA H 4.485 0.02 1 219 471 23 THR HB H 4.049 0.02 1 220 471 23 THR HG2 H 1.027 0.02 1 221 471 23 THR CA C 60.226 0.1 1 222 471 23 THR CB C 71.585 0.1 1 223 471 23 THR CG2 C 21.687 0.1 1 224 471 23 THR N N 117.920 0.1 1 225 472 24 THR HA H 4.198 0.02 1 226 472 24 THR HB H 4.021 0.02 1 227 472 24 THR HG2 H 1.217 0.02 1 228 472 24 THR C C 174.587 0.1 1 229 472 24 THR CA C 63.421 0.1 1 230 472 24 THR CB C 69.077 0.1 1 231 472 24 THR CG2 C 22.051 0.1 1 232 473 25 LYS H H 8.635 0.02 1 233 473 25 LYS HA H 4.330 0.02 1 234 473 25 LYS HB2 H 1.290 0.02 2 235 473 25 LYS HB3 H 0.781 0.02 2 236 473 25 LYS HG2 H 0.622 0.02 2 237 473 25 LYS HG3 H 0.985 0.02 2 238 473 25 LYS HD2 H 0.983 0.02 2 239 473 25 LYS HD3 H 0.581 0.02 2 240 473 25 LYS HE2 H 2.848 0.02 2 241 473 25 LYS HE3 H 2.584 0.02 2 242 473 25 LYS C C 174.878 0.1 1 243 473 25 LYS CA C 55.130 0.1 1 244 473 25 LYS CB C 34.606 0.1 1 245 473 25 LYS CG C 25.042 0.1 1 246 473 25 LYS CD C 28.153 0.1 1 247 473 25 LYS CE C 42.480 0.1 1 248 473 25 LYS N N 128.773 0.1 1 249 474 26 SER H H 8.715 0.02 1 250 474 26 SER HA H 4.831 0.02 1 251 474 26 SER HB2 H 3.749 0.02 1 252 474 26 SER HB3 H 3.749 0.02 1 253 474 26 SER C C 173.381 0.1 1 254 474 26 SER CA C 56.383 0.1 1 255 474 26 SER CB C 64.511 0.1 1 256 474 26 SER N N 116.356 0.1 1 257 475 27 TYR H H 9.070 0.02 1 258 475 27 TYR HA H 4.563 0.02 1 259 475 27 TYR HB2 H 3.080 0.02 2 260 475 27 TYR HB3 H 2.714 0.02 2 261 475 27 TYR HD1 H 7.042 0.02 1 262 475 27 TYR HD2 H 7.042 0.02 1 263 475 27 TYR HE1 H 6.920 0.02 1 264 475 27 TYR HE2 H 6.920 0.02 1 265 475 27 TYR CA C 56.323 0.1 1 266 475 27 TYR CB C 38.850 0.1 1 267 475 27 TYR CD1 C 133.655 0.1 1 268 475 27 TYR CE1 C 118.643 0.1 1 269 475 27 TYR N N 126.430 0.1 1 270 476 28 PRO HA H 4.245 0.02 1 271 476 28 PRO HB2 H 2.621 0.02 2 272 476 28 PRO HB3 H 2.200 0.02 2 273 476 28 PRO HG2 H 2.310 0.02 2 274 476 28 PRO HG3 H 2.120 0.02 2 275 476 28 PRO HD2 H 4.148 0.02 2 276 476 28 PRO HD3 H 3.886 0.02 2 277 476 28 PRO C C 179.052 0.1 1 278 476 28 PRO CA C 66.129 0.1 1 279 476 28 PRO CB C 32.484 0.1 1 280 476 28 PRO CG C 27.954 0.1 1 281 476 28 PRO CD C 51.898 0.1 1 282 477 29 SER H H 10.185 0.02 1 283 477 29 SER HA H 4.241 0.02 1 284 477 29 SER HB2 H 3.930 0.02 1 285 477 29 SER HB3 H 3.930 0.02 1 286 477 29 SER C C 176.853 0.1 1 287 477 29 SER CA C 61.281 0.1 1 288 477 29 SER CB C 61.928 0.1 1 289 477 29 SER N N 113.980 0.1 1 290 478 30 LYS H H 7.539 0.02 1 291 478 30 LYS HA H 4.300 0.02 1 292 478 30 LYS HB2 H 2.055 0.02 1 293 478 30 LYS HB3 H 2.055 0.02 1 294 478 30 LYS HG2 H 1.494 0.02 2 295 478 30 LYS HG3 H 1.421 0.02 2 296 478 30 LYS HD2 H 1.636 0.02 1 297 478 30 LYS HD3 H 1.636 0.02 1 298 478 30 LYS C C 178.350 0.1 1 299 478 30 LYS CA C 56.505 0.1 1 300 478 30 LYS CB C 32.879 0.1 1 301 478 30 LYS CG C 26.087 0.1 1 302 478 30 LYS CD C 29.317 0.1 1 303 478 30 LYS CE C 42.570 0.1 1 304 478 30 LYS N N 122.614 0.1 1 305 479 31 LEU H H 7.679 0.02 1 306 479 31 LEU HA H 4.263 0.02 1 307 479 31 LEU HB2 H 1.748 0.02 2 308 479 31 LEU HB3 H 1.626 0.02 2 309 479 31 LEU HD1 H 0.890 0.02 2 310 479 31 LEU HD2 H 0.895 0.02 2 311 479 31 LEU C C 178.390 0.1 1 312 479 31 LEU CA C 56.428 0.1 1 313 479 31 LEU CB C 42.515 0.1 1 314 479 31 LEU CG C 31.305 0.1 1 315 479 31 LEU CD1 C 25.690 0.1 1 316 479 31 LEU CD2 C 23.425 0.1 1 317 479 31 LEU N N 121.418 0.1 1 318 480 32 ALA H H 8.112 0.02 1 319 480 32 ALA HA H 4.252 0.02 1 320 480 32 ALA HB H 1.404 0.02 1 321 480 32 ALA C C 178.562 0.1 1 322 480 32 ALA CA C 53.229 0.1 1 323 480 32 ALA CB C 18.977 0.1 1 324 480 32 ALA N N 122.399 0.1 1 325 481 33 ARG H H 7.872 0.02 1 326 481 33 ARG CA C 56.808 0.1 1 327 481 33 ARG N N 118.779 0.1 1 328 520 42 PRO HA H 4.401 0.02 1 329 520 42 PRO HB2 H 2.269 0.02 2 330 520 42 PRO HB3 H 1.882 0.02 2 331 520 42 PRO HG2 H 1.945 0.02 1 332 520 42 PRO HG3 H 1.945 0.02 1 333 520 42 PRO HD2 H 3.851 0.02 2 334 520 42 PRO HD3 H 3.651 0.02 2 335 520 42 PRO C C 177.051 0.1 1 336 520 42 PRO CA C 63.546 0.1 1 337 520 42 PRO CB C 32.484 0.1 1 338 520 42 PRO CG C 27.910 0.1 1 339 520 42 PRO CD C 51.574 0.1 1 340 521 43 ARG H H 8.470 0.02 1 341 521 43 ARG CA C 56.726 0.1 1 342 521 43 ARG N N 122.084 0.1 1 343 531 53 LEU C C 177.184 0.1 1 344 531 53 LEU CA C 55.618 0.1 1 345 531 53 LEU CB C 44.226 0.1 1 346 531 53 LEU CG C 27.332 0.1 1 347 531 53 LEU CD1 C 25.015 0.1 1 348 531 53 LEU CD2 C 24.339 0.1 1 349 532 54 GLY H H 8.509 0.02 1 350 532 54 GLY HA2 H 3.875 0.02 2 351 532 54 GLY HA3 H 4.121 0.02 2 352 532 54 GLY CA C 45.219 0.1 1 353 532 54 GLY N N 110.929 0.1 1 354 535 57 CYS HA H 5.316 0.02 1 355 535 57 CYS HB2 H 2.872 0.02 2 356 535 57 CYS HB3 H 2.537 0.02 2 357 535 57 CYS C C 174.892 0.1 1 358 535 57 CYS CA C 58.689 0.1 1 359 535 57 CYS CB C 28.925 0.1 1 360 536 58 VAL H H 8.923 0.02 1 361 536 58 VAL HA H 4.270 0.02 1 362 536 58 VAL HB H 2.057 0.02 1 363 536 58 VAL HG1 H 0.924 0.02 2 364 536 58 VAL HG2 H 0.924 0.02 2 365 536 58 VAL C C 175.753 0.1 1 366 536 58 VAL CA C 61.682 0.1 1 367 536 58 VAL CB C 35.231 0.1 1 368 536 58 VAL CG1 C 20.959 0.1 1 369 536 58 VAL CG2 C 18.715 0.1 1 370 536 58 VAL N N 125.224 0.1 1 371 537 59 THR H H 9.193 0.02 1 372 537 59 THR HA H 4.452 0.02 1 373 537 59 THR HB H 4.141 0.02 1 374 537 59 THR HG2 H 1.244 0.02 1 375 537 59 THR C C 174.799 0.1 1 376 537 59 THR CA C 64.187 0.1 1 377 537 59 THR CB C 68.552 0.1 1 378 537 59 THR CG2 C 23.097 0.1 1 379 537 59 THR N N 126.692 0.1 1 380 538 60 MET H H 9.708 0.02 1 381 538 60 MET HA H 4.374 0.02 1 382 538 60 MET HB2 H 2.325 0.02 2 383 538 60 MET HB3 H 1.632 0.02 2 384 538 60 MET HG2 H 2.595 0.02 1 385 538 60 MET HG3 H 2.595 0.02 1 386 538 60 MET HE H 2.081 0.02 1 387 538 60 MET C C 176.296 0.1 1 388 538 60 MET CA C 56.909 0.1 1 389 538 60 MET CB C 34.773 0.1 1 390 538 60 MET CG C 31.793 0.1 1 391 538 60 MET CE C 17.282 0.1 1 392 538 60 MET N N 128.236 0.1 1 393 539 61 SER H H 7.407 0.02 1 394 539 61 SER HA H 4.548 0.02 1 395 539 61 SER HB2 H 3.705 0.02 2 396 539 61 SER HB3 H 3.220 0.02 2 397 539 61 SER C C 173.421 0.1 1 398 539 61 SER CA C 59.134 0.1 1 399 539 61 SER CB C 64.848 0.1 1 400 539 61 SER N N 111.392 0.1 1 401 540 62 SER H H 8.340 0.02 1 402 540 62 SER HA H 6.412 0.02 1 403 540 62 SER HB2 H 3.860 0.02 1 404 540 62 SER HB3 H 3.860 0.02 1 405 540 62 SER C C 173.553 0.1 1 406 540 62 SER CA C 57.459 0.1 1 407 540 62 SER CB C 67.747 0.1 1 408 540 62 SER N N 118.419 0.1 1 409 541 63 ALA H H 9.252 0.02 1 410 541 63 ALA HA H 4.703 0.02 1 411 541 63 ALA HB H 1.500 0.02 1 412 541 63 ALA C C 175.567 0.1 1 413 541 63 ALA CA C 52.545 0.1 1 414 541 63 ALA CB C 23.825 0.1 1 415 541 63 ALA N N 123.444 0.1 1 416 542 64 VAL H H 8.526 0.02 1 417 542 64 VAL HA H 4.445 0.02 1 418 542 64 VAL HB H 1.900 0.02 1 419 542 64 VAL HG1 H 1.022 0.02 2 420 542 64 VAL HG2 H 0.739 0.02 2 421 542 64 VAL C C 177.369 0.1 1 422 542 64 VAL CA C 64.835 0.1 1 423 542 64 VAL CB C 31.793 0.1 1 424 542 64 VAL CG1 C 22.777 0.1 1 425 542 64 VAL CG2 C 21.647 0.1 1 426 542 64 VAL N N 122.639 0.1 1 427 543 65 VAL H H 8.999 0.02 1 428 543 65 VAL HA H 5.541 0.02 1 429 543 65 VAL HB H 1.535 0.02 1 430 543 65 VAL HG1 H 0.360 0.02 2 431 543 65 VAL HG2 H -0.199 0.02 2 432 543 65 VAL C C 175.978 0.1 1 433 543 65 VAL CA C 59.987 0.1 1 434 543 65 VAL CB C 37.245 0.1 1 435 543 65 VAL CG1 C 19.584 0.1 1 436 543 65 VAL CG2 C 21.000 0.1 1 437 543 65 VAL N N 119.499 0.1 1 438 544 66 GLN H H 8.521 0.02 1 439 544 66 GLN HA H 4.370 0.02 1 440 544 66 GLN HE21 H 7.455 0.02 2 441 544 66 GLN HE22 H 7.220 0.02 2 442 544 66 GLN C C 174.149 0.1 1 443 544 66 GLN CA C 54.810 0.1 1 444 544 66 GLN CB C 32.465 0.1 1 445 544 66 GLN CG C 33.542 0.1 1 446 544 66 GLN N N 116.026 0.1 1 447 544 66 GLN NE2 N 110.508 0.1 1 448 545 67 LEU H H 8.401 0.02 1 449 545 67 LEU HA H 4.785 0.02 1 450 545 67 LEU HB2 H 1.465 0.02 2 451 545 67 LEU HB3 H 0.456 0.02 2 452 545 67 LEU HG H 0.726 0.02 1 453 545 67 LEU HD1 H -0.435 0.02 2 454 545 67 LEU HD2 H -0.312 0.02 2 455 545 67 LEU C C 175.037 0.1 1 456 545 67 LEU CA C 54.163 0.1 1 457 545 67 LEU CB C 44.456 0.1 1 458 545 67 LEU CG C 26.737 0.1 1 459 545 67 LEU CD1 C 24.958 0.1 1 460 545 67 LEU CD2 C 24.230 0.1 1 461 545 67 LEU N N 124.370 0.1 1 462 546 68 TYR H H 9.134 0.02 1 463 546 68 TYR HA H 5.010 0.02 1 464 546 68 TYR HB2 H 2.717 0.02 2 465 546 68 TYR HB3 H 2.111 0.02 2 466 546 68 TYR HD1 H 6.575 0.02 1 467 546 68 TYR HD2 H 6.575 0.02 1 468 546 68 TYR HE1 H 6.611 0.02 1 469 546 68 TYR HE2 H 6.611 0.02 1 470 546 68 TYR C C 173.407 0.1 1 471 546 68 TYR CA C 56.428 0.1 1 472 546 68 TYR CB C 42.938 0.1 1 473 546 68 TYR CD1 C 131.920 0.1 1 474 546 68 TYR CE1 C 118.202 0.1 1 475 546 68 TYR N N 126.516 0.1 1 476 547 69 ALA H H 9.032 0.02 1 477 547 69 ALA HA H 5.435 0.02 1 478 547 69 ALA HB H 1.368 0.02 1 479 547 69 ALA C C 177.263 0.1 1 480 547 69 ALA CA C 50.721 0.1 1 481 547 69 ALA CB C 23.340 0.1 1 482 547 69 ALA N N 120.323 0.1 1 483 548 70 ALA H H 8.669 0.02 1 484 548 70 ALA HA H 4.856 0.02 1 485 548 70 ALA HB H 0.851 0.02 1 486 548 70 ALA C C 177.303 0.1 1 487 548 70 ALA CA C 50.923 0.1 1 488 548 70 ALA CB C 18.956 0.1 1 489 548 70 ALA N N 128.265 0.1 1 490 549 71 ASP H H 8.506 0.02 1 491 549 71 ASP HA H 4.560 0.02 1 492 549 71 ASP HB2 H 2.975 0.02 2 493 549 71 ASP HB3 H 2.698 0.02 2 494 549 71 ASP C C 177.555 0.1 1 495 549 71 ASP CA C 53.714 0.1 1 496 549 71 ASP CB C 41.868 0.1 1 497 549 71 ASP N N 122.671 0.1 1 498 550 72 ARG H H 8.372 0.02 1 499 550 72 ARG HA H 4.279 0.02 1 500 550 72 ARG HB2 H 1.802 0.02 1 501 550 72 ARG HB3 H 1.802 0.02 1 502 550 72 ARG HG2 H 1.595 0.02 1 503 550 72 ARG HG3 H 1.595 0.02 1 504 550 72 ARG C C 176.323 0.1 1 505 550 72 ARG CA C 57.202 0.1 1 506 550 72 ARG CB C 30.891 0.1 1 507 550 72 ARG CG C 27.164 0.1 1 508 550 72 ARG CD C 43.730 0.1 1 509 550 72 ARG N N 118.670 0.1 1 510 551 73 ASN H H 8.489 0.02 1 511 551 73 ASN HA H 4.709 0.02 1 512 551 73 ASN HB2 H 2.895 0.02 2 513 551 73 ASN HB3 H 2.787 0.02 2 514 551 73 ASN HD21 H 7.668 0.02 2 515 551 73 ASN HD22 H 6.840 0.02 2 516 551 73 ASN C C 174.322 0.1 1 517 551 73 ASN CA C 53.839 0.1 1 518 551 73 ASN CB C 39.032 0.1 1 519 551 73 ASN N N 117.556 0.1 1 520 551 73 ASN ND2 N 113.598 0.1 1 521 552 74 CYS H H 8.405 0.02 1 522 552 74 CYS HA H 3.763 0.02 1 523 552 74 CYS HB2 H 2.976 0.02 2 524 552 74 CYS HB3 H 2.923 0.02 2 525 552 74 CYS C C 172.891 0.1 1 526 552 74 CYS CA C 59.910 0.1 1 527 552 74 CYS CB C 26.373 0.1 1 528 552 74 CYS N N 114.173 0.1 1 529 553 75 MET H H 7.557 0.02 1 530 553 75 MET HA H 4.435 0.02 1 531 553 75 MET HB2 H 1.970 0.02 1 532 553 75 MET HB3 H 1.970 0.02 1 533 553 75 MET HG2 H 2.463 0.02 1 534 553 75 MET HG3 H 2.463 0.02 1 535 553 75 MET HE H 2.096 0.02 1 536 553 75 MET C C 175.541 0.1 1 537 553 75 MET CA C 53.795 0.1 1 538 553 75 MET CB C 35.231 0.1 1 539 553 75 MET CG C 31.914 0.1 1 540 553 75 MET CE C 17.606 0.1 1 541 553 75 MET N N 116.409 0.1 1 542 554 76 TRP H H 8.317 0.02 1 543 554 76 TRP HA H 4.796 0.02 1 544 554 76 TRP HB2 H 3.140 0.02 2 545 554 76 TRP HB3 H 2.840 0.02 2 546 554 76 TRP HD1 H 7.052 0.02 1 547 554 76 TRP HE1 H 11.057 0.02 1 548 554 76 TRP HE3 H 7.019 0.02 1 549 554 76 TRP HZ2 H 7.442 0.02 1 550 554 76 TRP HZ3 H 6.574 0.02 1 551 554 76 TRP HH2 H 6.864 0.02 1 552 554 76 TRP C C 176.892 0.1 1 553 554 76 TRP CA C 56.990 0.1 1 554 554 76 TRP CB C 32.484 0.1 1 555 554 76 TRP CD1 C 129.164 0.1 1 556 554 76 TRP CE3 C 120.037 0.1 1 557 554 76 TRP CZ2 C 115.275 0.1 1 558 554 76 TRP CZ3 C 122.284 0.1 1 559 554 76 TRP CH2 C 124.693 0.1 1 560 554 76 TRP N N 121.009 0.1 1 561 554 76 TRP NE1 N 131.933 0.1 1 562 555 77 SER H H 8.926 0.02 1 563 555 77 SER HA H 4.871 0.02 1 564 555 77 SER HB2 H 3.914 0.02 1 565 555 77 SER HB3 H 3.914 0.02 1 566 555 77 SER C C 174.123 0.1 1 567 555 77 SER CA C 57.314 0.1 1 568 555 77 SER CB C 65.073 0.1 1 569 555 77 SER N N 116.740 0.1 1 570 556 78 LYS H H 9.073 0.02 1 571 556 78 LYS HA H 3.350 0.02 1 572 556 78 LYS HB2 H 1.629 0.02 2 573 556 78 LYS HB3 H 1.231 0.02 2 574 556 78 LYS HG2 H 1.254 0.02 1 575 556 78 LYS HG3 H 1.254 0.02 1 576 556 78 LYS HD2 H 0.780 0.02 2 577 556 78 LYS HD3 H 0.498 0.02 2 578 556 78 LYS HE2 H 2.679 0.02 2 579 556 78 LYS HE3 H 2.626 0.02 2 580 556 78 LYS C C 176.548 0.1 1 581 556 78 LYS CA C 58.046 0.1 1 582 556 78 LYS CB C 31.837 0.1 1 583 556 78 LYS CG C 29.572 0.1 1 584 556 78 LYS CD C 24.395 0.1 1 585 556 78 LYS CE C 41.220 0.1 1 586 556 78 LYS N N 129.792 0.1 1 587 557 79 LYS H H 9.005 0.02 1 588 557 79 LYS HA H 4.439 0.02 1 589 557 79 LYS HE2 H 2.653 0.02 2 590 557 79 LYS HE3 H 2.565 0.02 2 591 557 79 LYS C C 176.561 0.1 1 592 557 79 LYS CA C 55.587 0.1 1 593 557 79 LYS CB C 33.707 0.1 1 594 557 79 LYS CG C 23.933 0.1 1 595 557 79 LYS CD C 27.826 0.1 1 596 557 79 LYS CE C 42.381 0.1 1 597 557 79 LYS N N 127.289 0.1 1 598 558 80 CYS H H 7.273 0.02 1 599 558 80 CYS HA H 4.745 0.02 1 600 558 80 CYS HB2 H 3.422 0.02 2 601 558 80 CYS HB3 H 2.889 0.02 2 602 558 80 CYS C C 171.738 0.1 1 603 558 80 CYS CA C 56.383 0.1 1 604 558 80 CYS CB C 29.649 0.1 1 605 558 80 CYS N N 109.641 0.1 1 606 559 81 SER H H 8.296 0.02 1 607 559 81 SER HA H 4.938 0.02 1 608 559 81 SER HB3 H 3.655 0.02 2 609 559 81 SER C C 172.679 0.1 1 610 559 81 SER CA C 56.869 0.1 1 611 559 81 SER CB C 65.720 0.1 1 612 559 81 SER N N 112.837 0.1 1 613 560 82 GLY H H 8.669 0.02 1 614 560 82 GLY HA2 H 4.277 0.02 2 615 560 82 GLY HA3 H 3.950 0.02 2 616 560 82 GLY C C 170.532 0.1 1 617 560 82 GLY CA C 46.304 0.1 1 618 560 82 GLY N N 108.625 0.1 1 619 561 83 VAL H H 9.158 0.02 1 620 561 83 VAL HA H 4.547 0.02 1 621 561 83 VAL HB H 2.046 0.02 1 622 561 83 VAL HG1 H 0.949 0.02 2 623 561 83 VAL HG2 H 0.949 0.02 2 624 561 83 VAL C C 175.806 0.1 1 625 561 83 VAL CA C 61.277 0.1 1 626 561 83 VAL CB C 33.532 0.1 1 627 561 83 VAL CG1 C 21.813 0.1 1 628 561 83 VAL N N 123.081 0.1 1 629 562 84 ALA H H 9.620 0.02 1 630 562 84 ALA HA H 5.180 0.02 1 631 562 84 ALA HB H 1.072 0.02 1 632 562 84 ALA C C 177.210 0.1 1 633 562 84 ALA CA C 50.883 0.1 1 634 562 84 ALA CB C 20.433 0.1 1 635 562 84 ALA N N 130.069 0.1 1 636 563 85 CYS H H 9.808 0.02 1 637 563 85 CYS HA H 5.785 0.02 1 638 563 85 CYS HB2 H 3.000 0.02 2 639 563 85 CYS HB3 H 2.910 0.02 2 640 563 85 CYS C C 174.123 0.1 1 641 563 85 CYS CA C 57.398 0.1 1 642 563 85 CYS CB C 32.828 0.1 1 643 563 85 CYS N N 117.087 0.1 1 644 564 86 LEU H H 8.293 0.02 1 645 564 86 LEU HA H 5.097 0.02 1 646 564 86 LEU HB2 H 1.575 0.02 2 647 564 86 LEU HB3 H 0.811 0.02 2 648 564 86 LEU HG H 1.533 0.02 1 649 564 86 LEU HD1 H 0.479 0.02 2 650 564 86 LEU HD2 H 0.660 0.02 2 651 564 86 LEU C C 175.183 0.1 1 652 564 86 LEU CA C 54.486 0.1 1 653 564 86 LEU CB C 42.604 0.1 1 654 564 86 LEU CG C 27.708 0.1 1 655 564 86 LEU CD1 C 26.292 0.1 1 656 564 86 LEU CD2 C 22.833 0.1 1 657 564 86 LEU N N 126.268 0.1 1 658 565 87 VAL H H 9.777 0.02 1 659 565 87 VAL HA H 5.008 0.02 1 660 565 87 VAL HB H 2.022 0.02 1 661 565 87 VAL HG1 H 1.066 0.02 2 662 565 87 VAL HG2 H 0.875 0.02 2 663 565 87 VAL C C 175.263 0.1 1 664 565 87 VAL CA C 61.439 0.1 1 665 565 87 VAL CB C 36.463 0.1 1 666 565 87 VAL CG1 C 21.970 0.1 1 667 565 87 VAL CG2 C 21.768 0.1 1 668 565 87 VAL N N 128.505 0.1 1 669 566 88 LYS H H 9.168 0.02 1 670 566 88 LYS HA H 4.006 0.02 1 671 566 88 LYS HB2 H 1.990 0.02 1 672 566 88 LYS HB3 H 1.990 0.02 1 673 566 88 LYS HG2 H 0.971 0.02 2 674 566 88 LYS HG3 H 0.700 0.02 2 675 566 88 LYS HD2 H 1.745 0.02 2 676 566 88 LYS HD3 H 1.607 0.02 2 677 566 88 LYS HE2 H 2.978 0.02 2 678 566 88 LYS HE3 H 2.606 0.02 2 679 566 88 LYS C C 173.659 0.1 1 680 566 88 LYS CA C 56.060 0.1 1 681 566 88 LYS CB C 34.650 0.1 1 682 566 88 LYS CG C 25.690 0.1 1 683 566 88 LYS CD C 30.543 0.1 1 684 566 88 LYS CE C 43.162 0.1 1 685 566 88 LYS N N 128.269 0.1 1 686 567 89 ASP H H 8.614 0.02 1 687 567 89 ASP HA H 5.070 0.02 1 688 567 89 ASP HB2 H 3.175 0.02 2 689 567 89 ASP HB3 H 2.009 0.02 2 690 567 89 ASP C C 174.931 0.1 1 691 567 89 ASP CA C 52.177 0.1 1 692 567 89 ASP CB C 43.119 0.1 1 693 567 89 ASP N N 131.604 0.1 1 694 568 90 ASN H H 7.273 0.02 1 695 568 90 ASN HA H 4.728 0.02 1 696 568 90 ASN HB2 H 3.068 0.02 2 697 568 90 ASN HB3 H 2.368 0.02 2 698 568 90 ASN HD21 H 7.634 0.02 2 699 568 90 ASN HD22 H 6.774 0.02 2 700 568 90 ASN CA C 59.542 0.1 1 701 568 90 ASN CB C 37.338 0.1 1 702 568 90 ASN N N 120.429 0.1 1 703 568 90 ASN ND2 N 113.219 0.1 1 704 569 91 PRO HA H 4.209 0.02 1 705 569 91 PRO HB2 H 2.246 0.02 2 706 569 91 PRO HB3 H 1.786 0.02 2 707 569 91 PRO HG2 H 2.072 0.02 2 708 569 91 PRO HG3 H 1.795 0.02 2 709 569 91 PRO HD2 H 4.113 0.02 2 710 569 91 PRO HD3 H 3.340 0.02 2 711 569 91 PRO C C 178.787 0.1 1 712 569 91 PRO CA C 66.776 0.1 1 713 569 91 PRO CB C 31.408 0.1 1 714 569 91 PRO CG C 28.817 0.1 1 715 569 91 PRO CD C 50.280 0.1 1 716 570 92 GLN H H 7.853 0.02 1 717 570 92 GLN HA H 4.082 0.02 1 718 570 92 GLN HB2 H 2.164 0.02 2 719 570 92 GLN HB3 H 1.380 0.02 2 720 570 92 GLN HG2 H 2.320 0.02 2 721 570 92 GLN HG3 H 1.882 0.02 2 722 570 92 GLN HE21 H 7.030 0.02 2 723 570 92 GLN HE22 H 6.751 0.02 2 724 570 92 GLN C C 173.884 0.1 1 725 570 92 GLN CA C 56.688 0.1 1 726 570 92 GLN CB C 29.856 0.1 1 727 570 92 GLN CG C 35.688 0.1 1 728 570 92 GLN N N 112.449 0.1 1 729 570 92 GLN NE2 N 112.985 0.1 1 730 571 93 ARG H H 7.689 0.02 1 731 571 93 ARG HA H 2.274 0.02 1 732 571 93 ARG HB2 H 1.726 0.02 1 733 571 93 ARG HB3 H 1.726 0.02 1 734 571 93 ARG HG2 H 1.343 0.02 1 735 571 93 ARG HG3 H 1.343 0.02 1 736 571 93 ARG HD2 H 3.104 0.02 1 737 571 93 ARG HD3 H 3.104 0.02 1 738 571 93 ARG C C 174.587 0.1 1 739 571 93 ARG CA C 55.338 0.1 1 740 571 93 ARG CG C 27.653 0.1 1 741 571 93 ARG CD C 44.456 0.1 1 742 571 93 ARG N N 116.111 0.1 1 743 572 94 SER H H 7.054 0.02 1 744 572 94 SER HA H 4.192 0.02 1 745 572 94 SER HB2 H 3.419 0.02 2 746 572 94 SER HB3 H 3.002 0.02 2 747 572 94 SER C C 172.440 0.1 1 748 572 94 SER CA C 55.494 0.1 1 749 572 94 SER CB C 64.511 0.1 1 750 572 94 SER N N 106.175 0.1 1 751 573 95 TYR H H 8.087 0.02 1 752 573 95 TYR HA H 5.615 0.02 1 753 573 95 TYR HB2 H 2.573 0.02 1 754 573 95 TYR HB3 H 2.573 0.02 1 755 573 95 TYR HD1 H 7.056 0.02 1 756 573 95 TYR HD2 H 7.056 0.02 1 757 573 95 TYR HE1 H 6.696 0.02 1 758 573 95 TYR HE2 H 6.696 0.02 1 759 573 95 TYR C C 174.865 0.1 1 760 573 95 TYR CA C 56.708 0.1 1 761 573 95 TYR CB C 43.162 0.1 1 762 573 95 TYR CD1 C 133.654 0.1 1 763 573 95 TYR CE1 C 118.432 0.1 1 764 573 95 TYR N N 117.248 0.1 1 765 574 96 PHE H H 9.224 0.02 1 766 574 96 PHE HA H 4.970 0.02 1 767 574 96 PHE HB2 H 2.682 0.02 2 768 574 96 PHE HB3 H 2.434 0.02 2 769 574 96 PHE HD1 H 6.767 0.02 1 770 574 96 PHE HD2 H 6.767 0.02 1 771 574 96 PHE HE1 H 7.024 0.02 1 772 574 96 PHE HE2 H 7.024 0.02 1 773 574 96 PHE C C 174.931 0.1 1 774 574 96 PHE CA C 56.222 0.1 1 775 574 96 PHE CB C 44.998 0.1 1 776 574 96 PHE CD1 C 131.661 0.1 1 777 574 96 PHE CE1 C 131.521 0.1 1 778 574 96 PHE N N 117.365 0.1 1 779 575 97 LEU H H 9.049 0.02 1 780 575 97 LEU HA H 5.410 0.02 1 781 575 97 LEU HB2 H 1.958 0.02 2 782 575 97 LEU HB3 H 1.428 0.02 2 783 575 97 LEU HG H 1.564 0.02 1 784 575 97 LEU HD1 H 0.971 0.02 2 785 575 97 LEU HD2 H 0.760 0.02 2 786 575 97 LEU C C 176.044 0.1 1 787 575 97 LEU CA C 54.118 0.1 1 788 575 97 LEU CB C 43.655 0.1 1 789 575 97 LEU CG C 26.939 0.1 1 790 575 97 LEU CD1 C 24.513 0.1 1 791 575 97 LEU CD2 C 26.737 0.1 1 792 575 97 LEU N N 121.247 0.1 1 793 576 98 ARG H H 9.151 0.02 1 794 576 98 ARG HA H 5.139 0.02 1 795 576 98 ARG HB2 H 1.320 0.02 2 796 576 98 ARG HB3 H 1.153 0.02 2 797 576 98 ARG HG2 H 1.550 0.02 1 798 576 98 ARG HG3 H 1.550 0.02 1 799 576 98 ARG HD2 H 3.035 0.02 1 800 576 98 ARG HD3 H 3.035 0.02 1 801 576 98 ARG HE H 7.884 0.02 1 802 576 98 ARG C C 174.560 0.1 1 803 576 98 ARG CA C 55.413 0.1 1 804 576 98 ARG CB C 36.367 0.1 1 805 576 98 ARG N N 123.064 0.1 1 806 576 98 ARG NE N 87.019 0.1 1 807 577 99 ILE H H 8.605 0.02 1 808 577 99 ILE HA H 5.183 0.02 1 809 577 99 ILE HB H 1.600 0.02 1 810 577 99 ILE HG12 H 1.634 0.02 2 811 577 99 ILE HG13 H 0.793 0.02 2 812 577 99 ILE HG2 H 0.514 0.02 1 813 577 99 ILE HD1 H 0.420 0.02 1 814 577 99 ILE C C 174.282 0.1 1 815 577 99 ILE CA C 59.700 0.1 1 816 577 99 ILE CB C 39.827 0.1 1 817 577 99 ILE CG1 C 29.243 0.1 1 818 577 99 ILE CG2 C 17.885 0.1 1 819 577 99 ILE CD1 C 15.540 0.1 1 820 577 99 ILE N N 120.522 0.1 1 821 578 100 PHE H H 8.967 0.02 1 822 578 100 PHE HA H 5.378 0.02 1 823 578 100 PHE HB2 H 2.650 0.02 2 824 578 100 PHE HB3 H 2.794 0.02 2 825 578 100 PHE HD1 H 7.270 0.02 1 826 578 100 PHE HD2 H 7.270 0.02 1 827 578 100 PHE HE1 H 7.209 0.02 1 828 578 100 PHE HE2 H 7.209 0.02 1 829 578 100 PHE HZ H 6.846 0.02 1 830 578 100 PHE C C 175.567 0.1 1 831 578 100 PHE CA C 55.817 0.1 1 832 578 100 PHE CB C 42.511 0.1 1 833 578 100 PHE CD1 C 132.910 0.1 1 834 578 100 PHE CE1 C 131.481 0.1 1 835 578 100 PHE CZ C 128.705 0.1 1 836 578 100 PHE N N 126.242 0.1 1 837 579 101 ASP H H 9.322 0.02 1 838 579 101 ASP HA H 4.765 0.02 1 839 579 101 ASP HB2 H 3.293 0.02 2 840 579 101 ASP HB3 H 2.685 0.02 2 841 579 101 ASP CA C 55.133 0.1 1 842 579 101 ASP CB C 44.132 0.1 1 843 579 101 ASP N N 123.553 0.1 1 844 580 102 ILE H H 8.995 0.02 1 845 580 102 ILE HA H 3.918 0.02 1 846 580 102 ILE HB H 1.780 0.02 1 847 580 102 ILE HG12 H 1.613 0.02 2 848 580 102 ILE HG13 H 1.330 0.02 2 849 580 102 ILE HG2 H 0.987 0.02 1 850 580 102 ILE HD1 H 0.929 0.02 1 851 580 102 ILE C C 175.938 0.1 1 852 580 102 ILE CA C 64.511 0.1 1 853 580 102 ILE CB C 40.250 0.1 1 854 580 102 ILE CG1 C 30.267 0.1 1 855 580 102 ILE CG2 C 17.930 0.1 1 856 580 102 ILE CD1 C 14.371 0.1 1 857 580 102 ILE N N 127.607 0.1 1 858 581 103 LYS H H 8.848 0.02 1 859 581 103 LYS HA H 4.291 0.02 1 860 581 103 LYS HB2 H 1.872 0.02 2 861 581 103 LYS HB3 H 1.799 0.02 2 862 581 103 LYS HG2 H 1.457 0.02 2 863 581 103 LYS HG3 H 1.362 0.02 2 864 581 103 LYS HD2 H 1.791 0.02 2 865 581 103 LYS HD3 H 1.717 0.02 2 866 581 103 LYS HE2 H 2.982 0.02 1 867 581 103 LYS HE3 H 2.982 0.02 1 868 581 103 LYS C C 176.468 0.1 1 869 581 103 LYS CA C 58.284 0.1 1 870 581 103 LYS CB C 33.047 0.1 1 871 581 103 LYS CG C 25.040 0.1 1 872 581 103 LYS CD C 29.507 0.1 1 873 581 103 LYS CE C 41.985 0.1 1 874 581 103 LYS N N 120.928 0.1 1 875 582 104 ASP H H 8.138 0.02 1 876 582 104 ASP HA H 4.768 0.02 1 877 582 104 ASP C C 174.852 0.1 1 878 582 104 ASP CA C 53.674 0.1 1 879 582 104 ASP N N 115.532 0.1 1 880 583 105 GLY H H 8.020 0.02 1 881 583 105 GLY HA2 H 4.075 0.02 2 882 583 105 GLY HA3 H 3.914 0.02 2 883 583 105 GLY CA C 46.616 0.1 1 884 583 105 GLY N N 108.797 0.1 1 885 584 106 LYS H H 8.130 0.02 1 886 584 106 LYS HA H 4.246 0.02 1 887 584 106 LYS HB2 H 1.960 0.02 2 888 584 106 LYS HB3 H 1.763 0.02 2 889 584 106 LYS HG2 H 1.527 0.02 2 890 584 106 LYS HG3 H 1.365 0.02 2 891 584 106 LYS HD2 H 1.848 0.02 2 892 584 106 LYS HD3 H 1.783 0.02 2 893 584 106 LYS HE2 H 3.060 0.02 1 894 584 106 LYS HE3 H 3.060 0.02 1 895 584 106 LYS C C 176.561 0.1 1 896 584 106 LYS CA C 57.435 0.1 1 897 584 106 LYS CB C 33.350 0.1 1 898 584 106 LYS CG C 25.313 0.1 1 899 584 106 LYS CD C 29.631 0.1 1 900 584 106 LYS CE C 42.268 0.1 1 901 584 106 LYS N N 121.441 0.1 1 902 585 107 LEU H H 8.649 0.02 1 903 585 107 LEU HA H 4.144 0.02 1 904 585 107 LEU HB2 H 1.830 0.02 2 905 585 107 LEU HB3 H 1.450 0.02 2 906 585 107 LEU HG H 1.140 0.02 1 907 585 107 LEU HD1 H 0.665 0.02 2 908 585 107 LEU HD2 H 0.464 0.02 2 909 585 107 LEU C C 176.932 0.1 1 910 585 107 LEU CA C 56.586 0.1 1 911 585 107 LEU CB C 42.106 0.1 1 912 585 107 LEU CG C 27.020 0.1 1 913 585 107 LEU CD1 C 26.337 0.1 1 914 585 107 LEU CD2 C 24.072 0.1 1 915 585 107 LEU N N 123.934 0.1 1 916 586 108 LEU H H 9.381 0.02 1 917 586 108 LEU HA H 4.490 0.02 1 918 586 108 LEU HB2 H 1.537 0.02 1 919 586 108 LEU HB3 H 1.537 0.02 1 920 586 108 LEU HG H 1.835 0.02 1 921 586 108 LEU HD1 H 0.922 0.02 2 922 586 108 LEU HD2 H 0.925 0.02 2 923 586 108 LEU C C 177.648 0.1 1 924 586 108 LEU CA C 55.534 0.1 1 925 586 108 LEU CB C 44.890 0.1 1 926 586 108 LEU CG C 26.984 0.1 1 927 586 108 LEU CD1 C 26.337 0.1 1 928 586 108 LEU CD2 C 22.700 0.1 1 929 586 108 LEU N N 128.085 0.1 1 930 587 109 TRP H H 7.409 0.02 1 931 587 109 TRP HA H 4.431 0.02 1 932 587 109 TRP HB2 H 3.350 0.02 2 933 587 109 TRP HB3 H 2.456 0.02 2 934 587 109 TRP HD1 H 7.107 0.02 1 935 587 109 TRP HE1 H 10.097 0.02 1 936 587 109 TRP HE3 H 7.172 0.02 1 937 587 109 TRP HZ2 H 7.591 0.02 1 938 587 109 TRP HZ3 H 6.750 0.02 1 939 587 109 TRP HH2 H 7.234 0.02 1 940 587 109 TRP C C 172.824 0.1 1 941 587 109 TRP CA C 58.244 0.1 1 942 587 109 TRP CB C 31.837 0.1 1 943 587 109 TRP CD1 C 127.055 0.1 1 944 587 109 TRP CE3 C 120.737 0.1 1 945 587 109 TRP CZ2 C 114.987 0.1 1 946 587 109 TRP CZ3 C 120.503 0.1 1 947 587 109 TRP CH2 C 124.207 0.1 1 948 587 109 TRP N N 119.038 0.1 1 949 587 109 TRP NE1 N 128.742 0.1 1 950 588 110 GLU H H 7.634 0.02 1 951 588 110 GLU HA H 4.999 0.02 1 952 588 110 GLU HB2 H 1.800 0.02 1 953 588 110 GLU HB3 H 1.800 0.02 1 954 588 110 GLU HG2 H 2.035 0.02 2 955 588 110 GLU HG3 H 1.884 0.02 2 956 588 110 GLU C C 172.374 0.1 1 957 588 110 GLU CA C 54.806 0.1 1 958 588 110 GLU CB C 36.043 0.1 1 959 588 110 GLU CG C 37.137 0.1 1 960 588 110 GLU N N 125.391 0.1 1 961 589 111 GLN H H 8.773 0.02 1 962 589 111 GLN HA H 4.495 0.02 1 963 589 111 GLN HB2 H 2.262 0.02 2 964 589 111 GLN HB3 H 2.120 0.02 2 965 589 111 GLN HG2 H 2.587 0.02 2 966 589 111 GLN HG3 H 1.635 0.02 2 967 589 111 GLN HE21 H 9.210 0.02 2 968 589 111 GLN HE22 H 8.822 0.02 2 969 589 111 GLN C C 174.348 0.1 1 970 589 111 GLN CA C 53.839 0.1 1 971 589 111 GLN CB C 34.644 0.1 1 972 589 111 GLN CG C 34.644 0.1 1 973 589 111 GLN N N 122.049 0.1 1 974 589 111 GLN NE2 N 118.456 0.1 1 975 590 112 GLU H H 10.268 0.02 1 976 590 112 GLU HA H 3.690 0.02 1 977 590 112 GLU HB2 H 1.897 0.02 1 978 590 112 GLU HB3 H 1.897 0.02 1 979 590 112 GLU HG2 H 1.703 0.02 2 980 590 112 GLU HG3 H 1.281 0.02 2 981 590 112 GLU C C 177.091 0.1 1 982 590 112 GLU CA C 57.136 0.1 1 983 590 112 GLU CB C 29.900 0.1 1 984 590 112 GLU CG C 35.720 0.1 1 985 590 112 GLU N N 132.049 0.1 1 986 591 113 LEU H H 8.058 0.02 1 987 591 113 LEU HA H 3.500 0.02 1 988 591 113 LEU HB2 H 1.364 0.02 2 989 591 113 LEU HB3 H 0.650 0.02 2 990 591 113 LEU HG H 0.581 0.02 1 991 591 113 LEU HD1 H 0.232 0.02 2 992 591 113 LEU HD2 H -0.285 0.02 2 993 591 113 LEU C C 174.600 0.1 1 994 591 113 LEU CA C 54.163 0.1 1 995 591 113 LEU CB C 37.880 0.1 1 996 591 113 LEU CG C 27.101 0.1 1 997 591 113 LEU CD1 C 25.373 0.1 1 998 591 113 LEU CD2 C 22.948 0.1 1 999 591 113 LEU N N 126.820 0.1 1 1000 592 114 TYR H H 6.635 0.02 1 1001 592 114 TYR HA H 4.273 0.02 1 1002 592 114 TYR HB2 H 2.985 0.02 2 1003 592 114 TYR HB3 H 2.150 0.02 2 1004 592 114 TYR HD1 H 7.241 0.02 1 1005 592 114 TYR HD2 H 7.241 0.02 1 1006 592 114 TYR HE1 H 6.964 0.02 1 1007 592 114 TYR HE2 H 6.964 0.02 1 1008 592 114 TYR C C 174.467 0.1 1 1009 592 114 TYR CA C 55.457 0.1 1 1010 592 114 TYR CB C 37.338 0.1 1 1011 592 114 TYR CD1 C 134.997 0.1 1 1012 592 114 TYR CE1 C 118.810 0.1 1 1013 592 114 TYR N N 123.373 0.1 1 1014 593 115 ASN H H 8.792 0.02 1 1015 593 115 ASN HA H 4.475 0.02 1 1016 593 115 ASN HB2 H 2.762 0.02 1 1017 593 115 ASN HB3 H 2.762 0.02 1 1018 593 115 ASN HD21 H 7.535 0.02 2 1019 593 115 ASN HD22 H 6.787 0.02 2 1020 593 115 ASN CA C 55.856 0.1 1 1021 593 115 ASN CB C 38.308 0.1 1 1022 593 115 ASN N N 118.046 0.1 1 1023 593 115 ASN ND2 N 111.200 0.1 1 1024 594 116 ASN HA H 4.362 0.02 1 1025 594 116 ASN HB2 H 3.112 0.02 1 1026 594 116 ASN HB3 H 3.112 0.02 1 1027 594 116 ASN HD21 H 7.524 0.02 2 1028 594 116 ASN HD22 H 6.926 0.02 2 1029 594 116 ASN C C 173.805 0.1 1 1030 594 116 ASN CA C 55.457 0.1 1 1031 594 116 ASN CB C 36.691 0.1 1 1032 594 116 ASN ND2 N 113.219 0.1 1 1033 595 117 PHE H H 7.195 0.02 1 1034 595 117 PHE HA H 3.771 0.02 1 1035 595 117 PHE HB2 H 2.859 0.02 2 1036 595 117 PHE HB3 H 2.490 0.02 2 1037 595 117 PHE HD1 H 6.179 0.02 1 1038 595 117 PHE HD2 H 6.179 0.02 1 1039 595 117 PHE HE1 H 6.842 0.02 1 1040 595 117 PHE HE2 H 6.842 0.02 1 1041 595 117 PHE HZ H 6.114 0.02 1 1042 595 117 PHE C C 174.454 0.1 1 1043 595 117 PHE CA C 60.105 0.1 1 1044 595 117 PHE CB C 39.497 0.1 1 1045 595 117 PHE CD1 C 132.071 0.1 1 1046 595 117 PHE CE1 C 130.788 0.1 1 1047 595 117 PHE CZ C 129.666 0.1 1 1048 595 117 PHE N N 120.586 0.1 1 1049 596 118 VAL H H 7.533 0.02 1 1050 596 118 VAL HA H 4.112 0.02 1 1051 596 118 VAL HB H 1.826 0.02 1 1052 596 118 VAL HG1 H 0.849 0.02 2 1053 596 118 VAL HG2 H 0.919 0.02 2 1054 596 118 VAL C C 172.944 0.1 1 1055 596 118 VAL CA C 62.252 0.1 1 1056 596 118 VAL CB C 34.341 0.1 1 1057 596 118 VAL CG1 C 21.364 0.1 1 1058 596 118 VAL CG2 C 21.161 0.1 1 1059 596 118 VAL N N 128.024 0.1 1 1060 597 119 TYR H H 8.552 0.02 1 1061 597 119 TYR HA H 4.673 0.02 1 1062 597 119 TYR HB2 H 3.000 0.02 2 1063 597 119 TYR HB3 H 2.470 0.02 2 1064 597 119 TYR HD1 H 6.771 0.02 1 1065 597 119 TYR HD2 H 6.771 0.02 1 1066 597 119 TYR HE1 H 6.613 0.02 1 1067 597 119 TYR HE2 H 6.613 0.02 1 1068 597 119 TYR HH H 12.754 0.02 1 1069 597 119 TYR C C 174.547 0.1 1 1070 597 119 TYR CA C 58.046 0.1 1 1071 597 119 TYR CB C 41.815 0.1 1 1072 597 119 TYR CD1 C 133.040 0.1 1 1073 597 119 TYR CE1 C 119.429 0.1 1 1074 597 119 TYR N N 130.331 0.1 1 1075 598 120 ASN H H 8.779 0.02 1 1076 598 120 ASN HA H 5.003 0.02 1 1077 598 120 ASN HB2 H 3.211 0.02 2 1078 598 120 ASN HB3 H 2.561 0.02 2 1079 598 120 ASN HD21 H 7.047 0.02 2 1080 598 120 ASN HD22 H 6.784 0.02 2 1081 598 120 ASN CA C 52.824 0.1 1 1082 598 120 ASN CB C 41.122 0.1 1 1083 598 120 ASN N N 125.690 0.1 1 1084 598 120 ASN ND2 N 114.774 0.1 1 1085 599 121 SER HA H 5.289 0.02 1 1086 599 121 SER HB2 H 3.551 0.02 2 1087 599 121 SER HB3 H 3.235 0.02 2 1088 599 121 SER CA C 54.039 0.1 1 1089 599 121 SER CB C 63.870 0.1 1 1090 600 122 PRO HA H 4.448 0.02 1 1091 600 122 PRO HB2 H 2.526 0.02 2 1092 600 122 PRO HB3 H 1.915 0.02 2 1093 600 122 PRO HG2 H 2.241 0.02 2 1094 600 122 PRO HG3 H 2.102 0.02 2 1095 600 122 PRO HD2 H 3.355 0.02 2 1096 600 122 PRO HD3 H 4.326 0.02 2 1097 600 122 PRO C C 178.191 0.1 1 1098 600 122 PRO CA C 64.835 0.1 1 1099 600 122 PRO CB C 32.785 0.1 1 1100 600 122 PRO CG C 27.907 0.1 1 1101 600 122 PRO CD C 50.785 0.1 1 1102 601 123 ARG H H 7.875 0.02 1 1103 601 123 ARG HA H 4.650 0.02 1 1104 601 123 ARG HB2 H 0.910 0.02 1 1105 601 123 ARG HB3 H 0.910 0.02 1 1106 601 123 ARG HG2 H 1.220 0.02 1 1107 601 123 ARG HG3 H 1.220 0.02 1 1108 601 123 ARG HD2 H 3.484 0.02 2 1109 601 123 ARG HD3 H 2.975 0.02 2 1110 601 123 ARG CA C 52.501 0.1 1 1111 601 123 ARG CB C 34.102 0.1 1 1112 601 123 ARG CG C 26.984 0.1 1 1113 601 123 ARG CD C 42.838 0.1 1 1114 601 123 ARG N N 112.719 0.1 1 1115 602 124 GLY HA2 H 3.894 0.02 2 1116 602 124 GLY HA3 H 3.999 0.02 2 1117 602 124 GLY C C 173.898 0.1 1 1118 602 124 GLY CA C 47.453 0.1 1 1119 603 125 TYR H H 5.973 0.02 1 1120 603 125 TYR HA H 4.489 0.02 1 1121 603 125 TYR HB2 H 4.114 0.02 2 1122 603 125 TYR HB3 H 2.519 0.02 2 1123 603 125 TYR HD1 H 7.226 0.02 1 1124 603 125 TYR HD2 H 7.226 0.02 1 1125 603 125 TYR HE1 H 6.429 0.02 1 1126 603 125 TYR HE2 H 6.429 0.02 1 1127 603 125 TYR C C 173.023 0.1 1 1128 603 125 TYR CA C 54.280 0.1 1 1129 603 125 TYR CB C 38.850 0.1 1 1130 603 125 TYR CD1 C 135.027 0.1 1 1131 603 125 TYR CE1 C 118.202 0.1 1 1132 603 125 TYR N N 107.992 0.1 1 1133 604 126 PHE H H 6.870 0.02 1 1134 604 126 PHE HA H 5.903 0.02 1 1135 604 126 PHE HB2 H 2.639 0.02 2 1136 604 126 PHE HB3 H 2.405 0.02 2 1137 604 126 PHE HD1 H 6.838 0.02 1 1138 604 126 PHE HD2 H 6.838 0.02 1 1139 604 126 PHE HE1 H 6.482 0.02 1 1140 604 126 PHE HE2 H 6.482 0.02 1 1141 604 126 PHE HZ H 5.120 0.02 1 1142 604 126 PHE C C 172.440 0.1 1 1143 604 126 PHE CA C 57.673 0.1 1 1144 604 126 PHE CB C 43.704 0.1 1 1145 604 126 PHE CD1 C 131.552 0.1 1 1146 604 126 PHE CE1 C 131.388 0.1 1 1147 604 126 PHE N N 125.131 0.1 1 1148 605 127 HIS H H 8.596 0.02 1 1149 605 127 HIS HA H 5.666 0.02 1 1150 605 127 HIS HB2 H 3.102 0.02 1 1151 605 127 HIS HB3 H 3.102 0.02 1 1152 605 127 HIS HD2 H 6.989 0.02 1 1153 605 127 HIS HE1 H 7.703 0.02 1 1154 605 127 HIS C C 174.706 0.1 1 1155 605 127 HIS CA C 52.471 0.1 1 1156 605 127 HIS CB C 34.650 0.1 1 1157 605 127 HIS CD2 C 115.116 0.1 1 1158 605 127 HIS CE1 C 138.078 0.1 1 1159 605 127 HIS N N 126.822 0.1 1 1160 605 127 HIS NE2 N 163.313 0.1 1 1161 606 128 THR H H 8.299 0.02 1 1162 606 128 THR HA H 5.053 0.02 1 1163 606 128 THR HB H 4.300 0.02 1 1164 606 128 THR HG1 H 5.780 0.02 1 1165 606 128 THR HG2 H 0.840 0.02 1 1166 606 128 THR C C 172.851 0.1 1 1167 606 128 THR CA C 59.340 0.1 1 1168 606 128 THR CB C 72.717 0.1 1 1169 606 128 THR CG2 C 22.774 0.1 1 1170 606 128 THR N N 111.174 0.1 1 1171 607 129 PHE H H 8.185 0.02 1 1172 607 129 PHE HA H 4.724 0.02 1 1173 607 129 PHE HB2 H 3.713 0.02 2 1174 607 129 PHE HB3 H 2.655 0.02 2 1175 607 129 PHE HD1 H 6.918 0.02 1 1176 607 129 PHE HD2 H 6.918 0.02 1 1177 607 129 PHE HE1 H 7.328 0.02 1 1178 607 129 PHE HE2 H 7.328 0.02 1 1179 607 129 PHE C C 173.169 0.1 1 1180 607 129 PHE CA C 56.869 0.1 1 1181 607 129 PHE CB C 41.174 0.1 1 1182 607 129 PHE CD1 C 134.010 0.1 1 1183 607 129 PHE CE1 C 130.419 0.1 1 1184 607 129 PHE N N 114.733 0.1 1 1185 608 130 ALA H H 9.067 0.02 1 1186 608 130 ALA HA H 4.706 0.02 1 1187 608 130 ALA HB H 1.575 0.02 1 1188 608 130 ALA C C 178.204 0.1 1 1189 608 130 ALA CA C 52.869 0.1 1 1190 608 130 ALA CB C 17.885 0.1 1 1191 608 130 ALA N N 122.437 0.1 1 1192 609 131 GLY H H 8.870 0.02 1 1193 609 131 GLY HA2 H 4.465 0.02 2 1194 609 131 GLY HA3 H 5.022 0.02 2 1195 609 131 GLY C C 174.282 0.1 1 1196 609 131 GLY CA C 44.019 0.1 1 1197 609 131 GLY N N 116.715 0.1 1 1198 610 132 ASP H H 8.663 0.02 1 1199 610 132 ASP HA H 4.602 0.02 1 1200 610 132 ASP HB2 H 2.905 0.02 1 1201 610 132 ASP HB3 H 2.905 0.02 1 1202 610 132 ASP CA C 59.169 0.1 1 1203 610 132 ASP N N 119.737 0.1 1 1204 611 133 THR H H 9.047 0.02 1 1205 611 133 THR HA H 4.736 0.02 1 1206 611 133 THR HB H 4.362 0.02 1 1207 611 133 THR HG2 H 1.191 0.02 1 1208 611 133 THR C C 173.301 0.1 1 1209 611 133 THR CA C 61.823 0.1 1 1210 611 133 THR CB C 71.545 0.1 1 1211 611 133 THR CG2 C 21.930 0.1 1 1212 611 133 THR N N 105.458 0.1 1 1213 612 134 CYS H H 7.347 0.02 1 1214 612 134 CYS HA H 3.285 0.02 1 1215 612 134 CYS HB2 H 2.937 0.02 1 1216 612 134 CYS HB3 H 2.937 0.02 1 1217 612 134 CYS C C 172.983 0.1 1 1218 612 134 CYS CA C 55.777 0.1 1 1219 612 134 CYS CB C 30.131 0.1 1 1220 612 134 CYS N N 115.958 0.1 1 1221 613 135 GLN H H 8.806 0.02 1 1222 613 135 GLN HA H 4.759 0.02 1 1223 613 135 GLN HB2 H 2.070 0.02 2 1224 613 135 GLN HB3 H 1.961 0.02 2 1225 613 135 GLN HG2 H 2.584 0.02 2 1226 613 135 GLN HG3 H 2.754 0.02 2 1227 613 135 GLN HE21 H 6.731 0.02 2 1228 613 135 GLN HE22 H 6.680 0.02 2 1229 613 135 GLN C C 175.501 0.1 1 1230 613 135 GLN CA C 57.409 0.1 1 1231 613 135 GLN CB C 28.278 0.1 1 1232 613 135 GLN CG C 32.299 0.1 1 1233 613 135 GLN N N 122.104 0.1 1 1234 613 135 GLN NE2 N 107.614 0.1 1 1235 614 136 VAL H H 8.955 0.02 1 1236 614 136 VAL HA H 4.998 0.02 1 1237 614 136 VAL HB H 1.413 0.02 1 1238 614 136 VAL HG1 H 0.950 0.02 2 1239 614 136 VAL HG2 H 0.810 0.02 2 1240 614 136 VAL C C 173.023 0.1 1 1241 614 136 VAL CA C 61.175 0.1 1 1242 614 136 VAL CB C 35.271 0.1 1 1243 614 136 VAL CG1 C 22.334 0.1 1 1244 614 136 VAL CG2 C 23.421 0.1 1 1245 614 136 VAL N N 125.118 0.1 1 1246 615 137 ALA H H 8.534 0.02 1 1247 615 137 ALA HA H 4.588 0.02 1 1248 615 137 ALA HB H -0.355 0.02 1 1249 615 137 ALA C C 175.422 0.1 1 1250 615 137 ALA CA C 49.851 0.1 1 1251 615 137 ALA CB C 25.880 0.1 1 1252 615 137 ALA N N 123.137 0.1 1 1253 616 138 LEU H H 8.544 0.02 1 1254 616 138 LEU HA H 4.593 0.02 1 1255 616 138 LEU HB2 H 1.667 0.02 2 1256 616 138 LEU HB3 H 0.357 0.02 2 1257 616 138 LEU HG H 1.122 0.02 1 1258 616 138 LEU HD1 H 0.538 0.02 2 1259 616 138 LEU HD2 H 0.538 0.02 2 1260 616 138 LEU C C 173.474 0.1 1 1261 616 138 LEU CA C 52.869 0.1 1 1262 616 138 LEU CB C 44.780 0.1 1 1263 616 138 LEU CG C 26.131 0.1 1 1264 616 138 LEU CD1 C 24.068 0.1 1 1265 616 138 LEU N N 118.207 0.1 1 1266 617 139 ASN H H 8.925 0.02 1 1267 617 139 ASN HA H 6.047 0.02 1 1268 617 139 ASN HB2 H 3.250 0.02 2 1269 617 139 ASN HB3 H 2.474 0.02 2 1270 617 139 ASN HD21 H 7.606 0.02 2 1271 617 139 ASN HD22 H 6.920 0.02 2 1272 617 139 ASN C C 175.726 0.1 1 1273 617 139 ASN CA C 51.449 0.1 1 1274 617 139 ASN CB C 42.239 0.1 1 1275 617 139 ASN N N 121.521 0.1 1 1276 617 139 ASN ND2 N 112.743 0.1 1 1277 618 140 PHE H H 9.698 0.02 1 1278 618 140 PHE HA H 4.449 0.02 1 1279 618 140 PHE HB2 H 3.311 0.02 2 1280 618 140 PHE HB3 H 2.746 0.02 2 1281 618 140 PHE HD1 H 7.002 0.02 1 1282 618 140 PHE HD2 H 7.002 0.02 1 1283 618 140 PHE HE1 H 6.835 0.02 1 1284 618 140 PHE HE2 H 6.835 0.02 1 1285 618 140 PHE HZ H 6.482 0.02 1 1286 618 140 PHE C C 176.773 0.1 1 1287 618 140 PHE CA C 58.729 0.1 1 1288 618 140 PHE CB C 40.673 0.1 1 1289 618 140 PHE CD1 C 131.374 0.1 1 1290 618 140 PHE CE1 C 131.392 0.1 1 1291 618 140 PHE CZ C 131.683 0.1 1 1292 618 140 PHE N N 124.176 0.1 1 1293 619 141 ALA H H 7.630 0.02 1 1294 619 141 ALA HA H 3.746 0.02 1 1295 619 141 ALA HB H 0.516 0.02 1 1296 619 141 ALA C C 176.879 0.1 1 1297 619 141 ALA CA C 53.192 0.1 1 1298 619 141 ALA CB C 18.577 0.1 1 1299 619 141 ALA N N 125.556 0.1 1 1300 620 142 ASN H H 8.934 0.02 1 1301 620 142 ASN HA H 5.020 0.02 1 1302 620 142 ASN HB2 H 2.687 0.02 2 1303 620 142 ASN HB3 H 2.567 0.02 2 1304 620 142 ASN HD21 H 7.767 0.02 2 1305 620 142 ASN HD22 H 7.276 0.02 2 1306 620 142 ASN C C 175.433 0.1 1 1307 620 142 ASN CA C 52.869 0.1 1 1308 620 142 ASN CB C 41.868 0.1 1 1309 620 142 ASN N N 116.551 0.1 1 1310 620 142 ASN ND2 N 114.504 0.1 1 1311 621 143 GLU H H 9.290 0.02 1 1312 621 143 GLU HA H 3.887 0.02 1 1313 621 143 GLU HB2 H 2.164 0.02 1 1314 621 143 GLU HB3 H 2.164 0.02 1 1315 621 143 GLU HG2 H 2.404 0.02 2 1316 621 143 GLU HG3 H 2.205 0.02 2 1317 621 143 GLU C C 177.992 0.1 1 1318 621 143 GLU CA C 60.307 0.1 1 1319 621 143 GLU CB C 30.054 0.1 1 1320 621 143 GLU CG C 38.300 0.1 1 1321 621 143 GLU N N 127.864 0.1 1 1322 622 144 GLU H H 8.195 0.02 1 1323 622 144 GLU HA H 4.179 0.02 1 1324 622 144 GLU HB2 H 2.278 0.02 2 1325 622 144 GLU HB3 H 2.198 0.02 2 1326 622 144 GLU HG2 H 2.382 0.02 1 1327 622 144 GLU HG3 H 2.382 0.02 1 1328 622 144 GLU C C 180.338 0.1 1 1329 622 144 GLU CA C 60.310 0.1 1 1330 622 144 GLU CB C 28.882 0.1 1 1331 622 144 GLU CG C 36.848 0.1 1 1332 622 144 GLU N N 120.829 0.1 1 1333 623 145 GLU H H 8.264 0.02 1 1334 623 145 GLU HA H 4.192 0.02 1 1335 623 145 GLU HB2 H 2.562 0.02 2 1336 623 145 GLU HB3 H 2.360 0.02 2 1337 623 145 GLU HG2 H 2.628 0.02 2 1338 623 145 GLU HG3 H 2.492 0.02 2 1339 623 145 GLU C C 180.020 0.1 1 1340 623 145 GLU CA C 59.663 0.1 1 1341 623 145 GLU CB C 30.543 0.1 1 1342 623 145 GLU CG C 37.576 0.1 1 1343 623 145 GLU N N 120.378 0.1 1 1344 624 146 ALA H H 8.272 0.02 1 1345 624 146 ALA HA H 3.182 0.02 1 1346 624 146 ALA HB H 0.907 0.02 1 1347 624 146 ALA C C 179.874 0.1 1 1348 624 146 ALA CA C 55.553 0.1 1 1349 624 146 ALA CB C 19.422 0.1 1 1350 624 146 ALA N N 122.887 0.1 1 1351 625 147 LYS H H 8.108 0.02 1 1352 625 147 LYS HA H 4.044 0.02 1 1353 625 147 LYS HB2 H 1.974 0.02 1 1354 625 147 LYS HB3 H 1.974 0.02 1 1355 625 147 LYS C C 180.431 0.1 1 1356 625 147 LYS CA C 60.145 0.1 1 1357 625 147 LYS CB C 32.962 0.1 1 1358 625 147 LYS CG C 25.921 0.1 1 1359 625 147 LYS CD C 30.228 0.1 1 1360 625 147 LYS CE C 42.570 0.1 1 1361 625 147 LYS N N 119.142 0.1 1 1362 626 148 LYS H H 7.677 0.02 1 1363 626 148 LYS HA H 4.069 0.02 1 1364 626 148 LYS HB2 H 2.040 0.02 1 1365 626 148 LYS HB3 H 2.040 0.02 1 1366 626 148 LYS HG2 H 1.771 0.02 2 1367 626 148 LYS HG3 H 1.495 0.02 2 1368 626 148 LYS C C 178.907 0.1 1 1369 626 148 LYS CA C 59.862 0.1 1 1370 626 148 LYS CB C 32.808 0.1 1 1371 626 148 LYS CG C 25.860 0.1 1 1372 626 148 LYS CD C 30.228 0.1 1 1373 626 148 LYS CE C 42.653 0.1 1 1374 626 148 LYS N N 121.061 0.1 1 1375 627 149 PHE H H 8.643 0.02 1 1376 627 149 PHE HA H 4.264 0.02 1 1377 627 149 PHE HB2 H 3.231 0.02 1 1378 627 149 PHE HB3 H 3.231 0.02 1 1379 627 149 PHE HD1 H 7.313 0.02 1 1380 627 149 PHE HD2 H 7.313 0.02 1 1381 627 149 PHE HE1 H 6.960 0.02 1 1382 627 149 PHE HE2 H 6.960 0.02 1 1383 627 149 PHE HZ H 6.326 0.02 1 1384 627 149 PHE C C 177.369 0.1 1 1385 627 149 PHE CA C 61.843 0.1 1 1386 627 149 PHE CB C 41.115 0.1 1 1387 627 149 PHE CD1 C 132.816 0.1 1 1388 627 149 PHE CE1 C 130.031 0.1 1 1389 627 149 PHE CZ C 132.438 0.1 1 1390 627 149 PHE N N 125.004 0.1 1 1391 628 150 ARG H H 8.875 0.02 1 1392 628 150 ARG HA H 3.826 0.02 1 1393 628 150 ARG HB2 H 2.020 0.02 1 1394 628 150 ARG HB3 H 2.020 0.02 1 1395 628 150 ARG HG2 H 1.514 0.02 2 1396 628 150 ARG HG3 H 1.452 0.02 2 1397 628 150 ARG HD2 H 3.055 0.02 2 1398 628 150 ARG HD3 H 2.910 0.02 2 1399 628 150 ARG C C 179.185 0.1 1 1400 628 150 ARG CA C 59.663 0.1 1 1401 628 150 ARG CB C 30.146 0.1 1 1402 628 150 ARG CG C 27.307 0.1 1 1403 628 150 ARG CD C 43.813 0.1 1 1404 628 150 ARG N N 117.061 0.1 1 1405 629 151 LYS H H 7.932 0.02 1 1406 629 151 LYS HA H 3.881 0.02 1 1407 629 151 LYS HB2 H 1.876 0.02 2 1408 629 151 LYS HB3 H 1.935 0.02 2 1409 629 151 LYS HG2 H 1.430 0.02 2 1410 629 151 LYS HG3 H 1.366 0.02 2 1411 629 151 LYS HD2 H 1.722 0.02 2 1412 629 151 LYS HD3 H 1.605 0.02 2 1413 629 151 LYS HE2 H 3.028 0.02 1 1414 629 151 LYS HE3 H 3.028 0.02 1 1415 629 151 LYS C C 176.866 0.1 1 1416 629 151 LYS CA C 59.340 0.1 1 1417 629 151 LYS CB C 32.161 0.1 1 1418 629 151 LYS CG C 25.176 0.1 1 1419 629 151 LYS CD C 29.249 0.1 1 1420 629 151 LYS CE C 42.653 0.1 1 1421 629 151 LYS N N 121.325 0.1 1 1422 630 152 ALA H H 7.664 0.02 1 1423 630 152 ALA HA H 4.004 0.02 1 1424 630 152 ALA HB H 1.266 0.02 1 1425 630 152 ALA C C 180.537 0.1 1 1426 630 152 ALA CA C 55.170 0.1 1 1427 630 152 ALA CB C 18.088 0.1 1 1428 630 152 ALA N N 120.732 0.1 1 1429 631 153 VAL H H 7.859 0.02 1 1430 631 153 VAL HA H 3.076 0.02 1 1431 631 153 VAL HB H 1.382 0.02 1 1432 631 153 VAL HG1 H 0.305 0.02 2 1433 631 153 VAL HG2 H 0.172 0.02 2 1434 631 153 VAL C C 177.767 0.1 1 1435 631 153 VAL CA C 66.812 0.1 1 1436 631 153 VAL CB C 32.232 0.1 1 1437 631 153 VAL CG1 C 23.097 0.1 1 1438 631 153 VAL CG2 C 20.878 0.1 1 1439 631 153 VAL N N 116.854 0.1 1 1440 632 154 THR H H 8.582 0.02 1 1441 632 154 THR HA H 3.828 0.02 1 1442 632 154 THR HB H 4.281 0.02 1 1443 632 154 THR HG2 H 1.348 0.02 1 1444 632 154 THR C C 178.787 0.1 1 1445 632 154 THR CA C 66.408 0.1 1 1446 632 154 THR CB C 69.077 0.1 1 1447 632 154 THR CG2 C 22.011 0.1 1 1448 632 154 THR N N 111.049 0.1 1 1449 633 155 ASP H H 8.805 0.02 1 1450 633 155 ASP HA H 4.381 0.02 1 1451 633 155 ASP HB2 H 2.816 0.02 2 1452 633 155 ASP HB3 H 2.446 0.02 2 1453 633 155 ASP C C 178.787 0.1 1 1454 633 155 ASP CA C 57.273 0.1 1 1455 633 155 ASP CB C 40.301 0.1 1 1456 633 155 ASP N N 125.258 0.1 1 1457 634 156 LEU H H 7.059 0.02 1 1458 634 156 LEU HA H 3.868 0.02 1 1459 634 156 LEU HB2 H 1.712 0.02 2 1460 634 156 LEU HB3 H 1.371 0.02 2 1461 634 156 LEU HG H 1.010 0.02 1 1462 634 156 LEU HD1 H 0.142 0.02 2 1463 634 156 LEU HD2 H 0.084 0.02 2 1464 634 156 LEU C C 179.013 0.1 1 1465 634 156 LEU CA C 57.920 0.1 1 1466 634 156 LEU CB C 41.508 0.1 1 1467 634 156 LEU CG C 27.101 0.1 1 1468 634 156 LEU CD1 C 25.443 0.1 1 1469 634 156 LEU CD2 C 23.748 0.1 1 1470 634 156 LEU N N 121.453 0.1 1 1471 635 157 LEU H H 8.181 0.02 1 1472 635 157 LEU HA H 3.871 0.02 1 1473 635 157 LEU HB2 H 1.800 0.02 2 1474 635 157 LEU HB3 H 1.590 0.02 2 1475 635 157 LEU HG H 1.878 0.02 1 1476 635 157 LEU HD1 H 0.743 0.02 2 1477 635 157 LEU HD2 H 0.903 0.02 2 1478 635 157 LEU C C 180.351 0.1 1 1479 635 157 LEU CA C 57.435 0.1 1 1480 635 157 LEU CB C 41.220 0.1 1 1481 635 157 LEU CG C 26.170 0.1 1 1482 635 157 LEU CD1 C 22.173 0.1 1 1483 635 157 LEU CD2 C 26.656 0.1 1 1484 635 157 LEU N N 117.570 0.1 1 1485 636 158 GLY H H 8.179 0.02 1 1486 636 158 GLY HA2 H 3.938 0.02 1 1487 636 158 GLY HA3 H 3.938 0.02 1 1488 636 158 GLY C C 175.859 0.1 1 1489 636 158 GLY CA C 46.721 0.1 1 1490 636 158 GLY N N 106.593 0.1 1 1491 637 159 ARG H H 7.729 0.02 1 1492 637 159 ARG HA H 4.166 0.02 1 1493 637 159 ARG HB2 H 1.880 0.02 1 1494 637 159 ARG HB3 H 1.880 0.02 1 1495 637 159 ARG HG2 H 1.686 0.02 1 1496 637 159 ARG HG3 H 1.686 0.02 1 1497 637 159 ARG HD2 H 3.105 0.02 1 1498 637 159 ARG HD3 H 3.105 0.02 1 1499 637 159 ARG C C 177.118 0.1 1 1500 637 159 ARG CA C 58.217 0.1 1 1501 637 159 ARG CB C 30.543 0.1 1 1502 637 159 ARG CG C 27.329 0.1 1 1503 637 159 ARG CD C 44.393 0.1 1 1504 637 159 ARG N N 120.615 0.1 1 1505 638 160 ARG H H 7.881 0.02 1 1506 638 160 ARG CA C 57.057 0.1 1 1507 638 160 ARG N N 118.797 0.1 1 stop_ save_