data_6236 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6236 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CAPPD*, an Independently Folded Extracellular Domain of Human Amyloid-beta Precursor Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-11 _Entry.Accession_date 2004-06-14 _Entry.Last_release_date 2004-09-01 _Entry.Original_release_date 2004-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Irina Dulubova . . . 6236 2 Angela Ho . . . 6236 3 Iryna Huryeva . . . 6236 4 Thomas Sudhof . C. . 6236 5 Josep Rizo . . . 6236 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6236 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 897 6236 '13C chemical shifts' 545 6236 '15N chemical shifts' 129 6236 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-09-01 2004-06-11 original author . 6236 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6236 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15274612 _Citation.Full_citation . _Citation.Title ; Three-Dimensional Structure of an Independently Folded Extracellular Domain of Human Amyloid-beta Precursor Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 30 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 9583 _Citation.Page_last 9588 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Irina Dulubova . . . 6236 1 2 Angela Ho . . . 6236 1 3 Iryna Huryeva . . . 6236 1 4 Thomas Sudhof . C. . 6236 1 5 Josep Rizo . . . 6236 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Amyloid-beta Precursor Protein' 6236 1 'Alzheimer's disease' 6236 1 CAPPD 6236 1 CAPPD* 6236 1 'four alpha-helices' 6236 1 'three-helix bundle' 6236 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_APP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_APP _Assembly.Entry_ID 6236 _Assembly.ID 1 _Assembly.Name APP770 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; recombinant fragment containing an independently folded domain of Amyloid-beta Precursor Protein (residues 460-576 of human APP770) ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6236 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'APP fragment, CAPPD*' 1 $APP . . . native . . . . . 6236 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1TKN . . . . . 'Only the well-defined structure (residues 460-569) was deposited in PDB.' 6236 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID APP770 system 6236 1 APP abbreviation 6236 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APP _Entity.Sf_category entity _Entity.Sf_framecode APP _Entity.Entry_ID 6236 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Amyloid-beta Precursor Protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RVEAMLNDRRRLALENYITA LQAVPPRPRHVFNMLKKYVR AEQKDRQHTLKHFEHVRMVD PKKAAQIRSQVMTHLRVIYE RMNQSLSLLYNVPAVAEEIQ DEVDELLQKEQNYSDDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1TKN . "Solution Structure Of Cappd, An Independently Folded Extracellular Domain Of Human Amyloid-Beta Precursor Protein" . . . . . 94.02 110 100.00 100.00 6.18e-72 . . . . 6236 1 2 no PDB 3NYL . "The X-Ray Structure Of An Antiparallel Dimer Of The Human Amyloid Precursor Protein E2 Domain" . . . . . 94.87 210 100.00 100.00 3.66e-72 . . . . 6236 1 3 no PDB 3UMH . "X-Ray Structure Of The E2 Domain Of The Human Amyloid Precursor Protein (App) In Complex With Cadmium" . . . . . 100.00 211 99.15 100.00 3.65e-77 . . . . 6236 1 4 no PDB 3UMI . "X-Ray Structure Of The E2 Domain Of The Human Amyloid Precursor Protein (App) In Complex With Zinc" . . . . . 100.00 211 99.15 100.00 3.65e-77 . . . . 6236 1 5 no PDB 3UMK . "X-Ray Structure Of The E2 Domain Of The Human Amyloid Precursor Protein (App) In Complex With Copper" . . . . . 100.00 211 99.15 100.00 3.65e-77 . . . . 6236 1 6 no DBJ BAA22264 . "amyloid precursor protein [Homo sapiens]" . . . . . 100.00 770 100.00 100.00 5.37e-73 . . . . 6236 1 7 no DBJ BAA84580 . "amyloid precursor protein [Sus scrofa]" . . . . . 100.00 770 100.00 100.00 5.20e-73 . . . . 6236 1 8 no DBJ BAC36369 . "unnamed protein product [Mus musculus]" . . . . . 100.00 384 98.29 99.15 8.27e-74 . . . . 6236 1 9 no DBJ BAD51938 . "amyloid beta A4 precursor protein [Macaca fascicularis]" . . . . . 100.00 696 99.15 99.15 9.22e-73 . . . . 6236 1 10 no DBJ BAE01907 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 751 100.00 100.00 4.11e-73 . . . . 6236 1 11 no EMBL CAA30050 . "amyloid A4 protein [Homo sapiens]" . . . . . 100.00 751 100.00 100.00 3.63e-73 . . . . 6236 1 12 no EMBL CAA30488 . "unnamed protein product [Rattus rattus]" . . . . . 100.00 695 99.15 99.15 1.58e-72 . . . . 6236 1 13 no EMBL CAA31830 . "A4 amyloid protein precursor [Homo sapiens]" . . . . . 100.00 695 100.00 100.00 2.46e-73 . . . . 6236 1 14 no EMBL CAA53090 . "beta amyloid protein precursor [Oryctolagus cuniculus]" . . . . . 52.99 97 98.39 100.00 1.03e-33 . . . . 6236 1 15 no EMBL CAA66230 . "putative amyloid precursor protein [Cavia sp.]" . . . . . 100.00 695 100.00 100.00 3.55e-73 . . . . 6236 1 16 no GB AAA36829 . "amyloid b-protein precursor [Macaca fascicularis]" . . . . . 100.00 695 100.00 100.00 2.41e-73 . . . . 6236 1 17 no GB AAA51722 . "amyloid beta-protein precursor, partial [Homo sapiens]" . . . . . 100.00 412 100.00 100.00 3.01e-75 . . . . 6236 1 18 no GB AAA51726 . "beta-amyloid A4, partial [Homo sapiens]" . . . . . 59.83 264 100.00 100.00 7.29e-40 . . . . 6236 1 19 no GB AAA58727 . "amyloid precursor protein, partial [Homo sapiens]" . . . . . 88.03 484 100.00 100.00 6.77e-65 . . . . 6236 1 20 no GB AAB41502 . "hippocampal amyloid precursor protein [Mus musculus]" . . . . . 100.00 695 99.15 99.15 1.47e-72 . . . . 6236 1 21 no PRF 1303338A . "amyloid A4 protein precursor" . . . . . 100.00 695 100.00 100.00 2.41e-73 . . . . 6236 1 22 no PRF 1403400A . "amyloid protein A4" . . . . . 100.00 751 100.00 100.00 3.63e-73 . . . . 6236 1 23 no PRF 1507304A . "beta amyloid peptide precursor" . . . . . 100.00 412 100.00 100.00 2.92e-75 . . . . 6236 1 24 no PRF 1507304B . "beta amyloid peptide precursor" . . . . . 100.00 574 100.00 100.00 3.54e-74 . . . . 6236 1 25 no REF NP_000475 . "amyloid beta A4 protein isoform a precursor [Homo sapiens]" . . . . . 100.00 770 100.00 100.00 5.37e-73 . . . . 6236 1 26 no REF NP_001006601 . "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" . . . . . 100.00 770 100.00 100.00 5.05e-73 . . . . 6236 1 27 no REF NP_001013036 . "amyloid beta A4 protein precursor [Pan troglodytes]" . . . . . 100.00 770 100.00 100.00 5.48e-73 . . . . 6236 1 28 no REF NP_001070264 . "amyloid beta A4 protein precursor [Bos taurus]" . . . . . 100.00 695 100.00 100.00 2.34e-73 . . . . 6236 1 29 no REF NP_001127014 . "amyloid beta A4 protein precursor [Pongo abelii]" . . . . . 100.00 695 100.00 100.00 2.36e-73 . . . . 6236 1 30 no SP P05067 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" . . . . . 100.00 770 100.00 100.00 5.37e-73 . . . . 6236 1 31 no SP P08592 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 99.15 99.15 2.85e-72 . . . . 6236 1 32 no SP P12023 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 99.15 99.15 2.97e-72 . . . . 6236 1 33 no SP P53601 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 5.65e-73 . . . . 6236 1 34 no SP P79307 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 5.20e-73 . . . . 6236 1 35 no TPG DAA33655 . "TPA: amyloid beta A4 protein [Bos taurus]" . . . . . 100.00 695 100.00 100.00 2.34e-73 . . . . 6236 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Amyloid-beta Precursor Protein' common 6236 1 APP abbreviation 6236 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 460 ARG . 6236 1 2 461 VAL . 6236 1 3 462 GLU . 6236 1 4 463 ALA . 6236 1 5 464 MET . 6236 1 6 465 LEU . 6236 1 7 466 ASN . 6236 1 8 467 ASP . 6236 1 9 468 ARG . 6236 1 10 469 ARG . 6236 1 11 470 ARG . 6236 1 12 471 LEU . 6236 1 13 472 ALA . 6236 1 14 473 LEU . 6236 1 15 474 GLU . 6236 1 16 475 ASN . 6236 1 17 476 TYR . 6236 1 18 477 ILE . 6236 1 19 478 THR . 6236 1 20 479 ALA . 6236 1 21 480 LEU . 6236 1 22 481 GLN . 6236 1 23 482 ALA . 6236 1 24 483 VAL . 6236 1 25 484 PRO . 6236 1 26 485 PRO . 6236 1 27 486 ARG . 6236 1 28 487 PRO . 6236 1 29 488 ARG . 6236 1 30 489 HIS . 6236 1 31 490 VAL . 6236 1 32 491 PHE . 6236 1 33 492 ASN . 6236 1 34 493 MET . 6236 1 35 494 LEU . 6236 1 36 495 LYS . 6236 1 37 496 LYS . 6236 1 38 497 TYR . 6236 1 39 498 VAL . 6236 1 40 499 ARG . 6236 1 41 500 ALA . 6236 1 42 501 GLU . 6236 1 43 502 GLN . 6236 1 44 503 LYS . 6236 1 45 504 ASP . 6236 1 46 505 ARG . 6236 1 47 506 GLN . 6236 1 48 507 HIS . 6236 1 49 508 THR . 6236 1 50 509 LEU . 6236 1 51 510 LYS . 6236 1 52 511 HIS . 6236 1 53 512 PHE . 6236 1 54 513 GLU . 6236 1 55 514 HIS . 6236 1 56 515 VAL . 6236 1 57 516 ARG . 6236 1 58 517 MET . 6236 1 59 518 VAL . 6236 1 60 519 ASP . 6236 1 61 520 PRO . 6236 1 62 521 LYS . 6236 1 63 522 LYS . 6236 1 64 523 ALA . 6236 1 65 524 ALA . 6236 1 66 525 GLN . 6236 1 67 526 ILE . 6236 1 68 527 ARG . 6236 1 69 528 SER . 6236 1 70 529 GLN . 6236 1 71 530 VAL . 6236 1 72 531 MET . 6236 1 73 532 THR . 6236 1 74 533 HIS . 6236 1 75 534 LEU . 6236 1 76 535 ARG . 6236 1 77 536 VAL . 6236 1 78 537 ILE . 6236 1 79 538 TYR . 6236 1 80 539 GLU . 6236 1 81 540 ARG . 6236 1 82 541 MET . 6236 1 83 542 ASN . 6236 1 84 543 GLN . 6236 1 85 544 SER . 6236 1 86 545 LEU . 6236 1 87 546 SER . 6236 1 88 547 LEU . 6236 1 89 548 LEU . 6236 1 90 549 TYR . 6236 1 91 550 ASN . 6236 1 92 551 VAL . 6236 1 93 552 PRO . 6236 1 94 553 ALA . 6236 1 95 554 VAL . 6236 1 96 555 ALA . 6236 1 97 556 GLU . 6236 1 98 557 GLU . 6236 1 99 558 ILE . 6236 1 100 559 GLN . 6236 1 101 560 ASP . 6236 1 102 561 GLU . 6236 1 103 562 VAL . 6236 1 104 563 ASP . 6236 1 105 564 GLU . 6236 1 106 565 LEU . 6236 1 107 566 LEU . 6236 1 108 567 GLN . 6236 1 109 568 LYS . 6236 1 110 569 GLU . 6236 1 111 570 GLN . 6236 1 112 571 ASN . 6236 1 113 572 TYR . 6236 1 114 573 SER . 6236 1 115 574 ASP . 6236 1 116 575 ASP . 6236 1 117 576 VAL . 6236 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 6236 1 . VAL 2 2 6236 1 . GLU 3 3 6236 1 . ALA 4 4 6236 1 . MET 5 5 6236 1 . LEU 6 6 6236 1 . ASN 7 7 6236 1 . ASP 8 8 6236 1 . ARG 9 9 6236 1 . ARG 10 10 6236 1 . ARG 11 11 6236 1 . LEU 12 12 6236 1 . ALA 13 13 6236 1 . LEU 14 14 6236 1 . GLU 15 15 6236 1 . ASN 16 16 6236 1 . TYR 17 17 6236 1 . ILE 18 18 6236 1 . THR 19 19 6236 1 . ALA 20 20 6236 1 . LEU 21 21 6236 1 . GLN 22 22 6236 1 . ALA 23 23 6236 1 . VAL 24 24 6236 1 . PRO 25 25 6236 1 . PRO 26 26 6236 1 . ARG 27 27 6236 1 . PRO 28 28 6236 1 . ARG 29 29 6236 1 . HIS 30 30 6236 1 . VAL 31 31 6236 1 . PHE 32 32 6236 1 . ASN 33 33 6236 1 . MET 34 34 6236 1 . LEU 35 35 6236 1 . LYS 36 36 6236 1 . LYS 37 37 6236 1 . TYR 38 38 6236 1 . VAL 39 39 6236 1 . ARG 40 40 6236 1 . ALA 41 41 6236 1 . GLU 42 42 6236 1 . GLN 43 43 6236 1 . LYS 44 44 6236 1 . ASP 45 45 6236 1 . ARG 46 46 6236 1 . GLN 47 47 6236 1 . HIS 48 48 6236 1 . THR 49 49 6236 1 . LEU 50 50 6236 1 . LYS 51 51 6236 1 . HIS 52 52 6236 1 . PHE 53 53 6236 1 . GLU 54 54 6236 1 . HIS 55 55 6236 1 . VAL 56 56 6236 1 . ARG 57 57 6236 1 . MET 58 58 6236 1 . VAL 59 59 6236 1 . ASP 60 60 6236 1 . PRO 61 61 6236 1 . LYS 62 62 6236 1 . LYS 63 63 6236 1 . ALA 64 64 6236 1 . ALA 65 65 6236 1 . GLN 66 66 6236 1 . ILE 67 67 6236 1 . ARG 68 68 6236 1 . SER 69 69 6236 1 . GLN 70 70 6236 1 . VAL 71 71 6236 1 . MET 72 72 6236 1 . THR 73 73 6236 1 . HIS 74 74 6236 1 . LEU 75 75 6236 1 . ARG 76 76 6236 1 . VAL 77 77 6236 1 . ILE 78 78 6236 1 . TYR 79 79 6236 1 . GLU 80 80 6236 1 . ARG 81 81 6236 1 . MET 82 82 6236 1 . ASN 83 83 6236 1 . GLN 84 84 6236 1 . SER 85 85 6236 1 . LEU 86 86 6236 1 . SER 87 87 6236 1 . LEU 88 88 6236 1 . LEU 89 89 6236 1 . TYR 90 90 6236 1 . ASN 91 91 6236 1 . VAL 92 92 6236 1 . PRO 93 93 6236 1 . ALA 94 94 6236 1 . VAL 95 95 6236 1 . ALA 96 96 6236 1 . GLU 97 97 6236 1 . GLU 98 98 6236 1 . ILE 99 99 6236 1 . GLN 100 100 6236 1 . ASP 101 101 6236 1 . GLU 102 102 6236 1 . VAL 103 103 6236 1 . ASP 104 104 6236 1 . GLU 105 105 6236 1 . LEU 106 106 6236 1 . LEU 107 107 6236 1 . GLN 108 108 6236 1 . LYS 109 109 6236 1 . GLU 110 110 6236 1 . GLN 111 111 6236 1 . ASN 112 112 6236 1 . TYR 113 113 6236 1 . SER 114 114 6236 1 . ASP 115 115 6236 1 . ASP 116 116 6236 1 . VAL 117 117 6236 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6236 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $APP . Human . . 'Homo Sapiens' 9606 . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . . . . 6236 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6236 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $APP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 6236 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6236 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Amyloid-beta Precursor Protein' '[U-99% 15N]' . . 1 $APP . . 0.85 . . mM . . . . 6236 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6236 1 3 NaCl . . . . . . . 250 . . mM . . . . 6236 1 4 'Guanidinium Chloride' . . . . . . . 300 . . mM . . . . 6236 1 5 D2O . . . . . . . 5 . . % . . . . 6236 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6236 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Amyloid-beta Precursor Protein' '[U-99% 15N; U-13C]' . . 1 $APP . . 0.85 . . mM . . . . 6236 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6236 2 3 NaCl . . . . . . . 250 . . mM . . . . 6236 2 4 'Guanidinium Chloride' . . . . . . . 300 . . mM . . . . 6236 2 5 D2O . . . . . . . 5 . . % . . . . 6236 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6236 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.1 n/a 6236 1 temperature 300 0.5 K 6236 1 'ionic strength' 0.6 . M 6236 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6236 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details Varian save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6236 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6236 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 500 . . . 6236 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6236 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY-HSQC and TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6236 1 2 'HNCO, HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6236 1 3 H(C)(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6236 1 4 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6236 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6236 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6236 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 1H-15N NOESY-HSQC and TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6236 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'HNCO, HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6236 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name H(C)(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6236 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6236 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6236 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6236 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6236 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6236 1 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6236 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6236 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG H H 1 8.160 0.03 . 9 . . . . 460 . . . 6236 1 2 . 1 1 1 1 ARG N N 15 121.200 0.15 . 1 . . . . 460 . . . 6236 1 3 . 1 1 1 1 ARG CA C 13 57.800 0.12 . 1 . . . . 460 . . . 6236 1 4 . 1 1 1 1 ARG HA H 1 4.210 0.03 . 1 . . . . 460 . . . 6236 1 5 . 1 1 1 1 ARG CB C 13 30.300 0.12 . 1 . . . . 460 . . . 6236 1 6 . 1 1 1 1 ARG HB2 H 1 1.890 0.03 . 1 . . . . 460 . . . 6236 1 7 . 1 1 1 1 ARG HB3 H 1 1.890 0.03 . 1 . . . . 460 . . . 6236 1 8 . 1 1 1 1 ARG CG C 13 27.100 0.12 . 1 . . . . 460 . . . 6236 1 9 . 1 1 1 1 ARG HG3 H 1 1.680 0.03 . 9 . . . . 460 . . . 6236 1 10 . 1 1 1 1 ARG HG2 H 1 1.680 0.03 . 9 . . . . 460 . . . 6236 1 11 . 1 1 1 1 ARG CD C 13 43.100 0.12 . 1 . . . . 460 . . . 6236 1 12 . 1 1 1 1 ARG HD3 H 1 3.220 0.03 . 9 . . . . 460 . . . 6236 1 13 . 1 1 1 1 ARG HD2 H 1 3.220 0.03 . 9 . . . . 460 . . . 6236 1 14 . 1 1 1 1 ARG C C 13 174.440 0.12 . 1 . . . . 460 . . . 6236 1 15 . 1 1 2 2 VAL N N 15 121.100 0.15 . 1 . . . . 461 . . . 6236 1 16 . 1 1 2 2 VAL H H 1 8.260 0.03 . 1 . . . . 461 . . . 6236 1 17 . 1 1 2 2 VAL CA C 13 65.500 0.12 . 1 . . . . 461 . . . 6236 1 18 . 1 1 2 2 VAL HA H 1 3.700 0.03 . 1 . . . . 461 . . . 6236 1 19 . 1 1 2 2 VAL CB C 13 31.500 0.12 . 1 . . . . 461 . . . 6236 1 20 . 1 1 2 2 VAL HB H 1 1.920 0.03 . 9 . . . . 461 . . . 6236 1 21 . 1 1 2 2 VAL CG2 C 13 22.000 0.12 . 9 . . . . 461 . . . 6236 1 22 . 1 1 2 2 VAL HG21 H 1 0.940 0.03 . 9 . . . . 461 . . . 6236 1 23 . 1 1 2 2 VAL HG22 H 1 0.940 0.03 . 9 . . . . 461 . . . 6236 1 24 . 1 1 2 2 VAL HG23 H 1 0.940 0.03 . 9 . . . . 461 . . . 6236 1 25 . 1 1 2 2 VAL CG1 C 13 20.400 0.12 . 9 . . . . 461 . . . 6236 1 26 . 1 1 2 2 VAL HG11 H 1 0.620 0.03 . 9 . . . . 461 . . . 6236 1 27 . 1 1 2 2 VAL HG12 H 1 0.620 0.03 . 9 . . . . 461 . . . 6236 1 28 . 1 1 2 2 VAL HG13 H 1 0.620 0.03 . 9 . . . . 461 . . . 6236 1 29 . 1 1 2 2 VAL C C 13 177.920 0.12 . 1 . . . . 461 . . . 6236 1 30 . 1 1 3 3 GLU N N 15 120.800 0.15 . 1 . . . . 462 . . . 6236 1 31 . 1 1 3 3 GLU H H 1 8.540 0.03 . 1 . . . . 462 . . . 6236 1 32 . 1 1 3 3 GLU CA C 13 59.600 0.12 . 1 . . . . 462 . . . 6236 1 33 . 1 1 3 3 GLU HA H 1 3.830 0.03 . 1 . . . . 462 . . . 6236 1 34 . 1 1 3 3 GLU CB C 13 28.900 0.12 . 1 . . . . 462 . . . 6236 1 35 . 1 1 3 3 GLU HB2 H 1 2.010 0.03 . 2 . . . . 462 . . . 6236 1 36 . 1 1 3 3 GLU HB3 H 1 1.950 0.03 . 2 . . . . 462 . . . 6236 1 37 . 1 1 3 3 GLU CG C 13 36.800 0.12 . 1 . . . . 462 . . . 6236 1 38 . 1 1 3 3 GLU HG3 H 1 2.330 0.03 . 9 . . . . 462 . . . 6236 1 39 . 1 1 3 3 GLU HG2 H 1 2.220 0.03 . 9 . . . . 462 . . . 6236 1 40 . 1 1 3 3 GLU C C 13 177.240 0.12 . 1 . . . . 462 . . . 6236 1 41 . 1 1 4 4 ALA N N 15 122.000 0.15 . 1 . . . . 463 . . . 6236 1 42 . 1 1 4 4 ALA H H 1 8.010 0.03 . 1 . . . . 463 . . . 6236 1 43 . 1 1 4 4 ALA CA C 13 54.500 0.12 . 1 . . . . 463 . . . 6236 1 44 . 1 1 4 4 ALA HA H 1 4.190 0.03 . 1 . . . . 463 . . . 6236 1 45 . 1 1 4 4 ALA CB C 13 18.100 0.12 . 1 . . . . 463 . . . 6236 1 46 . 1 1 4 4 ALA HB1 H 1 1.450 0.03 . 1 . . . . 463 . . . 6236 1 47 . 1 1 4 4 ALA HB2 H 1 1.450 0.03 . 1 . . . . 463 . . . 6236 1 48 . 1 1 4 4 ALA HB3 H 1 1.450 0.03 . 1 . . . . 463 . . . 6236 1 49 . 1 1 4 4 ALA C C 13 178.100 0.12 . 1 . . . . 463 . . . 6236 1 50 . 1 1 5 5 MET N N 15 118.800 0.15 . 1 . . . . 464 . . . 6236 1 51 . 1 1 5 5 MET H H 1 7.920 0.03 . 1 . . . . 464 . . . 6236 1 52 . 1 1 5 5 MET CA C 13 58.200 0.12 . 1 . . . . 464 . . . 6236 1 53 . 1 1 5 5 MET HA H 1 4.250 0.03 . 1 . . . . 464 . . . 6236 1 54 . 1 1 5 5 MET CB C 13 32.100 0.12 . 1 . . . . 464 . . . 6236 1 55 . 1 1 5 5 MET HB2 H 1 2.180 0.03 . 1 . . . . 464 . . . 6236 1 56 . 1 1 5 5 MET HB3 H 1 2.180 0.03 . 1 . . . . 464 . . . 6236 1 57 . 1 1 5 5 MET CG C 13 31.800 0.12 . 1 . . . . 464 . . . 6236 1 58 . 1 1 5 5 MET HG3 H 1 2.700 0.03 . 9 . . . . 464 . . . 6236 1 59 . 1 1 5 5 MET HG2 H 1 2.490 0.03 . 9 . . . . 464 . . . 6236 1 60 . 1 1 5 5 MET CE C 13 16.800 0.12 . 9 . . . . 464 . . . 6236 1 61 . 1 1 5 5 MET HE1 H 1 2.040 0.03 . 9 . . . . 464 . . . 6236 1 62 . 1 1 5 5 MET HE2 H 1 2.040 0.03 . 9 . . . . 464 . . . 6236 1 63 . 1 1 5 5 MET HE3 H 1 2.040 0.03 . 9 . . . . 464 . . . 6236 1 64 . 1 1 5 5 MET C C 13 179.420 0.12 . 1 . . . . 464 . . . 6236 1 65 . 1 1 6 6 LEU N N 15 120.600 0.15 . 1 . . . . 465 . . . 6236 1 66 . 1 1 6 6 LEU H H 1 8.320 0.03 . 1 . . . . 465 . . . 6236 1 67 . 1 1 6 6 LEU CA C 13 57.500 0.12 . 1 . . . . 465 . . . 6236 1 68 . 1 1 6 6 LEU HA H 1 4.030 0.03 . 1 . . . . 465 . . . 6236 1 69 . 1 1 6 6 LEU CB C 13 41.400 0.12 . 1 . . . . 465 . . . 6236 1 70 . 1 1 6 6 LEU HB2 H 1 1.390 0.03 . 2 . . . . 465 . . . 6236 1 71 . 1 1 6 6 LEU HB3 H 1 1.850 0.03 . 2 . . . . 465 . . . 6236 1 72 . 1 1 6 6 LEU CG C 13 26.000 0.12 . 1 . . . . 465 . . . 6236 1 73 . 1 1 6 6 LEU HG H 1 1.710 0.03 . 9 . . . . 465 . . . 6236 1 74 . 1 1 6 6 LEU CD1 C 13 26.000 0.12 . 9 . . . . 465 . . . 6236 1 75 . 1 1 6 6 LEU HD11 H 1 0.660 0.03 . 9 . . . . 465 . . . 6236 1 76 . 1 1 6 6 LEU HD12 H 1 0.660 0.03 . 9 . . . . 465 . . . 6236 1 77 . 1 1 6 6 LEU HD13 H 1 0.660 0.03 . 9 . . . . 465 . . . 6236 1 78 . 1 1 6 6 LEU CD2 C 13 22.900 0.12 . 9 . . . . 465 . . . 6236 1 79 . 1 1 6 6 LEU HD21 H 1 0.760 0.03 . 9 . . . . 465 . . . 6236 1 80 . 1 1 6 6 LEU HD22 H 1 0.760 0.03 . 9 . . . . 465 . . . 6236 1 81 . 1 1 6 6 LEU HD23 H 1 0.760 0.03 . 9 . . . . 465 . . . 6236 1 82 . 1 1 6 6 LEU C C 13 178.460 0.12 . 1 . . . . 465 . . . 6236 1 83 . 1 1 7 7 ASN N N 15 118.900 0.15 . 1 . . . . 466 . . . 6236 1 84 . 1 1 7 7 ASN H H 1 8.220 0.03 . 1 . . . . 466 . . . 6236 1 85 . 1 1 7 7 ASN CA C 13 56.100 0.12 . 1 . . . . 466 . . . 6236 1 86 . 1 1 7 7 ASN HA H 1 4.540 0.03 . 1 . . . . 466 . . . 6236 1 87 . 1 1 7 7 ASN CB C 13 38.500 0.12 . 1 . . . . 466 . . . 6236 1 88 . 1 1 7 7 ASN HB2 H 1 2.940 0.03 . 2 . . . . 466 . . . 6236 1 89 . 1 1 7 7 ASN HB3 H 1 2.860 0.03 . 2 . . . . 466 . . . 6236 1 90 . 1 1 7 7 ASN ND2 N 15 114.300 0.15 . 9 . . . . 466 . . . 6236 1 91 . 1 1 7 7 ASN HD21 H 1 7.760 0.03 . 9 . . . . 466 . . . 6236 1 92 . 1 1 7 7 ASN HD22 H 1 7.130 0.03 . 9 . . . . 466 . . . 6236 1 93 . 1 1 7 7 ASN C C 13 176.770 0.12 . 1 . . . . 466 . . . 6236 1 94 . 1 1 8 8 ASP N N 15 121.200 0.15 . 1 . . . . 467 . . . 6236 1 95 . 1 1 8 8 ASP H H 1 8.340 0.03 . 1 . . . . 467 . . . 6236 1 96 . 1 1 8 8 ASP CA C 13 57.400 0.12 . 1 . . . . 467 . . . 6236 1 97 . 1 1 8 8 ASP HA H 1 4.440 0.03 . 1 . . . . 467 . . . 6236 1 98 . 1 1 8 8 ASP CB C 13 40.700 0.12 . 1 . . . . 467 . . . 6236 1 99 . 1 1 8 8 ASP HB2 H 1 2.840 0.03 . 2 . . . . 467 . . . 6236 1 100 . 1 1 8 8 ASP HB3 H 1 2.710 0.03 . 2 . . . . 467 . . . 6236 1 101 . 1 1 8 8 ASP C C 13 179.930 0.12 . 1 . . . . 467 . . . 6236 1 102 . 1 1 9 9 ARG N N 15 118.900 0.15 . 1 . . . . 468 . . . 6236 1 103 . 1 1 9 9 ARG H H 1 8.320 0.03 . 1 . . . . 468 . . . 6236 1 104 . 1 1 9 9 ARG CA C 13 59.200 0.12 . 1 . . . . 468 . . . 6236 1 105 . 1 1 9 9 ARG HA H 1 4.050 0.03 . 1 . . . . 468 . . . 6236 1 106 . 1 1 9 9 ARG CB C 13 30.100 0.12 . 1 . . . . 468 . . . 6236 1 107 . 1 1 9 9 ARG HB2 H 1 1.940 0.03 . 1 . . . . 468 . . . 6236 1 108 . 1 1 9 9 ARG HB3 H 1 1.940 0.03 . 1 . . . . 468 . . . 6236 1 109 . 1 1 9 9 ARG CG C 13 27.700 0.12 . 1 . . . . 468 . . . 6236 1 110 . 1 1 9 9 ARG HG3 H 1 1.900 0.03 . 9 . . . . 468 . . . 6236 1 111 . 1 1 9 9 ARG HG2 H 1 1.710 0.03 . 9 . . . . 468 . . . 6236 1 112 . 1 1 9 9 ARG CD C 13 43.400 0.12 . 1 . . . . 468 . . . 6236 1 113 . 1 1 9 9 ARG HD3 H 1 3.200 0.03 . 9 . . . . 468 . . . 6236 1 114 . 1 1 9 9 ARG HD2 H 1 3.200 0.03 . 9 . . . . 468 . . . 6236 1 115 . 1 1 9 9 ARG C C 13 178.470 0.12 . 1 . . . . 468 . . . 6236 1 116 . 1 1 10 10 ARG N N 15 120.800 0.15 . 1 . . . . 469 . . . 6236 1 117 . 1 1 10 10 ARG H H 1 8.050 0.03 . 1 . . . . 469 . . . 6236 1 118 . 1 1 10 10 ARG CA C 13 59.800 0.12 . 1 . . . . 469 . . . 6236 1 119 . 1 1 10 10 ARG HA H 1 3.930 0.03 . 1 . . . . 469 . . . 6236 1 120 . 1 1 10 10 ARG CB C 13 28.100 0.12 . 1 . . . . 469 . . . 6236 1 121 . 1 1 10 10 ARG HB2 H 1 2.140 0.03 . 2 . . . . 469 . . . 6236 1 122 . 1 1 10 10 ARG HB3 H 1 1.890 0.03 . 2 . . . . 469 . . . 6236 1 123 . 1 1 10 10 ARG CG C 13 25.800 0.12 . 1 . . . . 469 . . . 6236 1 124 . 1 1 10 10 ARG HG3 H 1 1.720 0.03 . 9 . . . . 469 . . . 6236 1 125 . 1 1 10 10 ARG HG2 H 1 1.720 0.03 . 9 . . . . 469 . . . 6236 1 126 . 1 1 10 10 ARG CD C 13 42.300 0.12 . 1 . . . . 469 . . . 6236 1 127 . 1 1 10 10 ARG HD3 H 1 3.250 0.03 . 9 . . . . 469 . . . 6236 1 128 . 1 1 10 10 ARG HD2 H 1 3.250 0.03 . 9 . . . . 469 . . . 6236 1 129 . 1 1 10 10 ARG NE N 15 126.900 0.15 . 9 . . . . 469 . . . 6236 1 130 . 1 1 10 10 ARG HE H 1 7.850 0.03 . 9 . . . . 469 . . . 6236 1 131 . 1 1 10 10 ARG C C 13 179.370 0.12 . 1 . . . . 469 . . . 6236 1 132 . 1 1 11 11 ARG N N 15 120.500 0.15 . 1 . . . . 470 . . . 6236 1 133 . 1 1 11 11 ARG H H 1 8.490 0.03 . 1 . . . . 470 . . . 6236 1 134 . 1 1 11 11 ARG CA C 13 60.100 0.12 . 1 . . . . 470 . . . 6236 1 135 . 1 1 11 11 ARG HA H 1 3.970 0.03 . 1 . . . . 470 . . . 6236 1 136 . 1 1 11 11 ARG CB C 13 29.900 0.12 . 1 . . . . 470 . . . 6236 1 137 . 1 1 11 11 ARG HB2 H 1 1.990 0.03 . 1 . . . . 470 . . . 6236 1 138 . 1 1 11 11 ARG HB3 H 1 1.990 0.03 . 1 . . . . 470 . . . 6236 1 139 . 1 1 11 11 ARG CG C 13 27.600 0.12 . 1 . . . . 470 . . . 6236 1 140 . 1 1 11 11 ARG HG3 H 1 1.600 0.03 . 9 . . . . 470 . . . 6236 1 141 . 1 1 11 11 ARG HG2 H 1 1.810 0.03 . 9 . . . . 470 . . . 6236 1 142 . 1 1 11 11 ARG CD C 13 43.200 0.12 . 1 . . . . 470 . . . 6236 1 143 . 1 1 11 11 ARG HD3 H 1 3.260 0.03 . 9 . . . . 470 . . . 6236 1 144 . 1 1 11 11 ARG HD2 H 1 3.260 0.03 . 9 . . . . 470 . . . 6236 1 145 . 1 1 11 11 ARG C C 13 177.330 0.12 . 1 . . . . 470 . . . 6236 1 146 . 1 1 12 12 LEU N N 15 120.100 0.15 . 1 . . . . 471 . . . 6236 1 147 . 1 1 12 12 LEU H H 1 7.950 0.03 . 1 . . . . 471 . . . 6236 1 148 . 1 1 12 12 LEU CA C 13 57.700 0.12 . 1 . . . . 471 . . . 6236 1 149 . 1 1 12 12 LEU HA H 1 4.140 0.03 . 1 . . . . 471 . . . 6236 1 150 . 1 1 12 12 LEU CB C 13 41.800 0.12 . 1 . . . . 471 . . . 6236 1 151 . 1 1 12 12 LEU HB2 H 1 1.700 0.03 . 1 . . . . 471 . . . 6236 1 152 . 1 1 12 12 LEU HB3 H 1 1.700 0.03 . 1 . . . . 471 . . . 6236 1 153 . 1 1 12 12 LEU CG C 13 27.000 0.12 . 1 . . . . 471 . . . 6236 1 154 . 1 1 12 12 LEU HG H 1 1.680 0.03 . 9 . . . . 471 . . . 6236 1 155 . 1 1 12 12 LEU CD1 C 13 24.100 0.12 . 9 . . . . 471 . . . 6236 1 156 . 1 1 12 12 LEU HD11 H 1 0.910 0.03 . 9 . . . . 471 . . . 6236 1 157 . 1 1 12 12 LEU HD12 H 1 0.910 0.03 . 9 . . . . 471 . . . 6236 1 158 . 1 1 12 12 LEU HD13 H 1 0.910 0.03 . 9 . . . . 471 . . . 6236 1 159 . 1 1 12 12 LEU CD2 C 13 24.300 0.12 . 9 . . . . 471 . . . 6236 1 160 . 1 1 12 12 LEU HD21 H 1 0.890 0.03 . 9 . . . . 471 . . . 6236 1 161 . 1 1 12 12 LEU HD22 H 1 0.890 0.03 . 9 . . . . 471 . . . 6236 1 162 . 1 1 12 12 LEU HD23 H 1 0.890 0.03 . 9 . . . . 471 . . . 6236 1 163 . 1 1 12 12 LEU C C 13 178.770 0.12 . 1 . . . . 471 . . . 6236 1 164 . 1 1 13 13 ALA N N 15 119.800 0.15 . 1 . . . . 472 . . . 6236 1 165 . 1 1 13 13 ALA H H 1 8.020 0.03 . 1 . . . . 472 . . . 6236 1 166 . 1 1 13 13 ALA CA C 13 54.500 0.12 . 1 . . . . 472 . . . 6236 1 167 . 1 1 13 13 ALA HA H 1 4.240 0.03 . 1 . . . . 472 . . . 6236 1 168 . 1 1 13 13 ALA CB C 13 17.300 0.12 . 1 . . . . 472 . . . 6236 1 169 . 1 1 13 13 ALA HB1 H 1 1.570 0.03 . 1 . . . . 472 . . . 6236 1 170 . 1 1 13 13 ALA HB2 H 1 1.570 0.03 . 1 . . . . 472 . . . 6236 1 171 . 1 1 13 13 ALA HB3 H 1 1.570 0.03 . 1 . . . . 472 . . . 6236 1 172 . 1 1 13 13 ALA C C 13 178.210 0.12 . 1 . . . . 472 . . . 6236 1 173 . 1 1 14 14 LEU N N 15 122.300 0.15 . 1 . . . . 473 . . . 6236 1 174 . 1 1 14 14 LEU H H 1 8.960 0.03 . 1 . . . . 473 . . . 6236 1 175 . 1 1 14 14 LEU CA C 13 58.300 0.12 . 1 . . . . 473 . . . 6236 1 176 . 1 1 14 14 LEU HA H 1 3.870 0.03 . 1 . . . . 473 . . . 6236 1 177 . 1 1 14 14 LEU CB C 13 40.700 0.12 . 1 . . . . 473 . . . 6236 1 178 . 1 1 14 14 LEU HB2 H 1 2.040 0.03 . 2 . . . . 473 . . . 6236 1 179 . 1 1 14 14 LEU HB3 H 1 1.580 0.03 . 2 . . . . 473 . . . 6236 1 180 . 1 1 14 14 LEU CG C 13 26.500 0.12 . 1 . . . . 473 . . . 6236 1 181 . 1 1 14 14 LEU HG H 1 1.450 0.03 . 9 . . . . 473 . . . 6236 1 182 . 1 1 14 14 LEU CD1 C 13 21.200 0.12 . 9 . . . . 473 . . . 6236 1 183 . 1 1 14 14 LEU HD11 H 1 0.440 0.03 . 9 . . . . 473 . . . 6236 1 184 . 1 1 14 14 LEU HD12 H 1 0.440 0.03 . 9 . . . . 473 . . . 6236 1 185 . 1 1 14 14 LEU HD13 H 1 0.440 0.03 . 9 . . . . 473 . . . 6236 1 186 . 1 1 14 14 LEU CD2 C 13 25.400 0.12 . 9 . . . . 473 . . . 6236 1 187 . 1 1 14 14 LEU HD21 H 1 0.790 0.03 . 9 . . . . 473 . . . 6236 1 188 . 1 1 14 14 LEU HD22 H 1 0.790 0.03 . 9 . . . . 473 . . . 6236 1 189 . 1 1 14 14 LEU HD23 H 1 0.790 0.03 . 9 . . . . 473 . . . 6236 1 190 . 1 1 14 14 LEU C C 13 181.570 0.12 . 1 . . . . 473 . . . 6236 1 191 . 1 1 15 15 GLU N N 15 118.900 0.15 . 1 . . . . 474 . . . 6236 1 192 . 1 1 15 15 GLU H H 1 8.170 0.03 . 1 . . . . 474 . . . 6236 1 193 . 1 1 15 15 GLU CA C 13 59.500 0.12 . 1 . . . . 474 . . . 6236 1 194 . 1 1 15 15 GLU HA H 1 3.930 0.03 . 1 . . . . 474 . . . 6236 1 195 . 1 1 15 15 GLU CB C 13 29.100 0.12 . 1 . . . . 474 . . . 6236 1 196 . 1 1 15 15 GLU HB2 H 1 2.170 0.03 . 2 . . . . 474 . . . 6236 1 197 . 1 1 15 15 GLU HB3 H 1 2.100 0.03 . 2 . . . . 474 . . . 6236 1 198 . 1 1 15 15 GLU CG C 13 36.100 0.12 . 1 . . . . 474 . . . 6236 1 199 . 1 1 15 15 GLU HG3 H 1 2.390 0.03 . 9 . . . . 474 . . . 6236 1 200 . 1 1 15 15 GLU HG2 H 1 2.260 0.03 . 9 . . . . 474 . . . 6236 1 201 . 1 1 15 15 GLU C C 13 177.810 0.12 . 1 . . . . 474 . . . 6236 1 202 . 1 1 16 16 ASN N N 15 117.700 0.15 . 1 . . . . 475 . . . 6236 1 203 . 1 1 16 16 ASN H H 1 8.430 0.03 . 1 . . . . 475 . . . 6236 1 204 . 1 1 16 16 ASN CA C 13 55.500 0.12 . 1 . . . . 475 . . . 6236 1 205 . 1 1 16 16 ASN HA H 1 4.500 0.03 . 1 . . . . 475 . . . 6236 1 206 . 1 1 16 16 ASN CB C 13 38.100 0.12 . 1 . . . . 475 . . . 6236 1 207 . 1 1 16 16 ASN HB2 H 1 2.990 0.03 . 2 . . . . 475 . . . 6236 1 208 . 1 1 16 16 ASN HB3 H 1 2.880 0.03 . 2 . . . . 475 . . . 6236 1 209 . 1 1 16 16 ASN ND2 N 15 111.400 0.15 . 9 . . . . 475 . . . 6236 1 210 . 1 1 16 16 ASN HD21 H 1 7.930 0.03 . 9 . . . . 475 . . . 6236 1 211 . 1 1 16 16 ASN HD22 H 1 6.820 0.03 . 9 . . . . 475 . . . 6236 1 212 . 1 1 16 16 ASN C C 13 179.480 0.12 . 1 . . . . 475 . . . 6236 1 213 . 1 1 17 17 TYR N N 15 123.500 0.15 . 1 . . . . 476 . . . 6236 1 214 . 1 1 17 17 TYR H H 1 7.820 0.03 . 1 . . . . 476 . . . 6236 1 215 . 1 1 17 17 TYR CA C 13 59.800 0.12 . 1 . . . . 476 . . . 6236 1 216 . 1 1 17 17 TYR HA H 1 4.290 0.03 . 1 . . . . 476 . . . 6236 1 217 . 1 1 17 17 TYR CB C 13 37.440 0.12 . 1 . . . . 476 . . . 6236 1 218 . 1 1 17 17 TYR HB2 H 1 3.140 0.03 . 2 . . . . 476 . . . 6236 1 219 . 1 1 17 17 TYR HB3 H 1 2.870 0.03 . 2 . . . . 476 . . . 6236 1 220 . 1 1 17 17 TYR CD1 C 13 132.600 0.12 . 9 . . . . 476 . . . 6236 1 221 . 1 1 17 17 TYR HD1 H 1 6.780 0.03 . 9 . . . . 476 . . . 6236 1 222 . 1 1 17 17 TYR CE1 C 13 117.000 0.12 . 9 . . . . 476 . . . 6236 1 223 . 1 1 17 17 TYR HE1 H 1 6.370 0.03 . 9 . . . . 476 . . . 6236 1 224 . 1 1 17 17 TYR HH H 1 7.321 0.03 . 1 . . . . 476 . . . 6236 1 225 . 1 1 17 17 TYR CE2 C 13 117.000 0.12 . 9 . . . . 476 . . . 6236 1 226 . 1 1 17 17 TYR HE2 H 1 6.370 0.03 . 9 . . . . 476 . . . 6236 1 227 . 1 1 17 17 TYR CD2 C 13 132.600 0.12 . 9 . . . . 476 . . . 6236 1 228 . 1 1 17 17 TYR HD2 H 1 6.780 0.03 . 9 . . . . 476 . . . 6236 1 229 . 1 1 17 17 TYR C C 13 178.220 0.12 . 1 . . . . 476 . . . 6236 1 230 . 1 1 18 18 ILE N N 15 121.300 0.15 . 1 . . . . 477 . . . 6236 1 231 . 1 1 18 18 ILE H H 1 8.460 0.03 . 1 . . . . 477 . . . 6236 1 232 . 1 1 18 18 ILE CA C 13 65.400 0.12 . 1 . . . . 477 . . . 6236 1 233 . 1 1 18 18 ILE HA H 1 3.020 0.03 . 1 . . . . 477 . . . 6236 1 234 . 1 1 18 18 ILE CB C 13 36.900 0.12 . 1 . . . . 477 . . . 6236 1 235 . 1 1 18 18 ILE HB H 1 1.740 0.03 . 9 . . . . 477 . . . 6236 1 236 . 1 1 18 18 ILE CG1 C 13 29.200 0.12 . 9 . . . . 477 . . . 6236 1 237 . 1 1 18 18 ILE HG12 H 1 0.830 0.03 . 9 . . . . 477 . . . 6236 1 238 . 1 1 18 18 ILE HG13 H 1 1.510 0.03 . 9 . . . . 477 . . . 6236 1 239 . 1 1 18 18 ILE CD1 C 13 12.800 0.12 . 9 . . . . 477 . . . 6236 1 240 . 1 1 18 18 ILE HD11 H 1 0.630 0.03 . 9 . . . . 477 . . . 6236 1 241 . 1 1 18 18 ILE HD12 H 1 0.630 0.03 . 9 . . . . 477 . . . 6236 1 242 . 1 1 18 18 ILE HD13 H 1 0.630 0.03 . 9 . . . . 477 . . . 6236 1 243 . 1 1 18 18 ILE CG2 C 13 16.800 0.12 . 9 . . . . 477 . . . 6236 1 244 . 1 1 18 18 ILE HG21 H 1 0.690 0.03 . 9 . . . . 477 . . . 6236 1 245 . 1 1 18 18 ILE HG22 H 1 0.690 0.03 . 9 . . . . 477 . . . 6236 1 246 . 1 1 18 18 ILE HG23 H 1 0.690 0.03 . 9 . . . . 477 . . . 6236 1 247 . 1 1 18 18 ILE C C 13 174.640 0.12 . 1 . . . . 477 . . . 6236 1 248 . 1 1 19 19 THR N N 15 114.700 0.15 . 1 . . . . 478 . . . 6236 1 249 . 1 1 19 19 THR H H 1 8.440 0.03 . 1 . . . . 478 . . . 6236 1 250 . 1 1 19 19 THR CA C 13 66.400 0.12 . 1 . . . . 478 . . . 6236 1 251 . 1 1 19 19 THR HA H 1 3.800 0.03 . 1 . . . . 478 . . . 6236 1 252 . 1 1 19 19 THR CB C 13 68.700 0.12 . 1 . . . . 478 . . . 6236 1 253 . 1 1 19 19 THR HB H 1 4.200 0.03 . 9 . . . . 478 . . . 6236 1 254 . 1 1 19 19 THR CG2 C 13 21.800 0.12 . 9 . . . . 478 . . . 6236 1 255 . 1 1 19 19 THR HG21 H 1 1.260 0.03 . 9 . . . . 478 . . . 6236 1 256 . 1 1 19 19 THR HG22 H 1 1.260 0.03 . 9 . . . . 478 . . . 6236 1 257 . 1 1 19 19 THR HG23 H 1 1.260 0.03 . 9 . . . . 478 . . . 6236 1 258 . 1 1 19 19 THR C C 13 178.640 0.12 . 1 . . . . 478 . . . 6236 1 259 . 1 1 20 20 ALA N N 15 124.000 0.15 . 1 . . . . 479 . . . 6236 1 260 . 1 1 20 20 ALA H H 1 7.490 0.03 . 1 . . . . 479 . . . 6236 1 261 . 1 1 20 20 ALA CA C 13 54.900 0.12 . 1 . . . . 479 . . . 6236 1 262 . 1 1 20 20 ALA HA H 1 4.240 0.03 . 1 . . . . 479 . . . 6236 1 263 . 1 1 20 20 ALA CB C 13 18.400 0.12 . 1 . . . . 479 . . . 6236 1 264 . 1 1 20 20 ALA HB1 H 1 1.430 0.03 . 1 . . . . 479 . . . 6236 1 265 . 1 1 20 20 ALA HB2 H 1 1.430 0.03 . 1 . . . . 479 . . . 6236 1 266 . 1 1 20 20 ALA HB3 H 1 1.430 0.03 . 1 . . . . 479 . . . 6236 1 267 . 1 1 20 20 ALA C C 13 177.040 0.12 . 1 . . . . 479 . . . 6236 1 268 . 1 1 21 21 LEU N N 15 118.100 0.15 . 1 . . . . 480 . . . 6236 1 269 . 1 1 21 21 LEU H H 1 7.900 0.03 . 1 . . . . 480 . . . 6236 1 270 . 1 1 21 21 LEU CA C 13 57.100 0.12 . 1 . . . . 480 . . . 6236 1 271 . 1 1 21 21 LEU HA H 1 3.900 0.03 . 1 . . . . 480 . . . 6236 1 272 . 1 1 21 21 LEU CB C 13 42.500 0.12 . 1 . . . . 480 . . . 6236 1 273 . 1 1 21 21 LEU HB2 H 1 1.480 0.03 . 2 . . . . 480 . . . 6236 1 274 . 1 1 21 21 LEU HB3 H 1 1.590 0.03 . 2 . . . . 480 . . . 6236 1 275 . 1 1 21 21 LEU CG C 13 26.600 0.12 . 1 . . . . 480 . . . 6236 1 276 . 1 1 21 21 LEU HG H 1 1.440 0.03 . 9 . . . . 480 . . . 6236 1 277 . 1 1 21 21 LEU CD1 C 13 24.800 0.12 . 9 . . . . 480 . . . 6236 1 278 . 1 1 21 21 LEU HD11 H 1 0.580 0.03 . 9 . . . . 480 . . . 6236 1 279 . 1 1 21 21 LEU HD12 H 1 0.580 0.03 . 9 . . . . 480 . . . 6236 1 280 . 1 1 21 21 LEU HD13 H 1 0.580 0.03 . 9 . . . . 480 . . . 6236 1 281 . 1 1 21 21 LEU CD2 C 13 24.600 0.12 . 9 . . . . 480 . . . 6236 1 282 . 1 1 21 21 LEU HD21 H 1 0.710 0.03 . 9 . . . . 480 . . . 6236 1 283 . 1 1 21 21 LEU HD22 H 1 0.710 0.03 . 9 . . . . 480 . . . 6236 1 284 . 1 1 21 21 LEU HD23 H 1 0.710 0.03 . 9 . . . . 480 . . . 6236 1 285 . 1 1 21 21 LEU C C 13 179.450 0.12 . 1 . . . . 480 . . . 6236 1 286 . 1 1 22 22 GLN N N 15 114.200 0.15 . 1 . . . . 481 . . . 6236 1 287 . 1 1 22 22 GLN H H 1 7.480 0.03 . 1 . . . . 481 . . . 6236 1 288 . 1 1 22 22 GLN CA C 13 55.100 0.12 . 1 . . . . 481 . . . 6236 1 289 . 1 1 22 22 GLN HA H 1 4.210 0.03 . 1 . . . . 481 . . . 6236 1 290 . 1 1 22 22 GLN CB C 13 28.800 0.12 . 1 . . . . 481 . . . 6236 1 291 . 1 1 22 22 GLN HB2 H 1 2.180 0.03 . 2 . . . . 481 . . . 6236 1 292 . 1 1 22 22 GLN HB3 H 1 1.990 0.03 . 2 . . . . 481 . . . 6236 1 293 . 1 1 22 22 GLN CG C 13 33.900 0.12 . 1 . . . . 481 . . . 6236 1 294 . 1 1 22 22 GLN HG3 H 1 2.530 0.03 . 9 . . . . 481 . . . 6236 1 295 . 1 1 22 22 GLN HG2 H 1 2.320 0.03 . 9 . . . . 481 . . . 6236 1 296 . 1 1 22 22 GLN NE2 N 15 110.700 0.15 . 9 . . . . 481 . . . 6236 1 297 . 1 1 22 22 GLN HE21 H 1 7.210 0.03 . 9 . . . . 481 . . . 6236 1 298 . 1 1 22 22 GLN HE22 H 1 6.730 0.03 . 9 . . . . 481 . . . 6236 1 299 . 1 1 22 22 GLN C C 13 177.240 0.12 . 1 . . . . 481 . . . 6236 1 300 . 1 1 23 23 ALA N N 15 124.200 0.15 . 1 . . . . 482 . . . 6236 1 301 . 1 1 23 23 ALA H H 1 7.040 0.03 . 1 . . . . 482 . . . 6236 1 302 . 1 1 23 23 ALA CA C 13 53.200 0.12 . 1 . . . . 482 . . . 6236 1 303 . 1 1 23 23 ALA HA H 1 4.100 0.03 . 1 . . . . 482 . . . 6236 1 304 . 1 1 23 23 ALA CB C 13 19.500 0.12 . 1 . . . . 482 . . . 6236 1 305 . 1 1 23 23 ALA HB1 H 1 1.450 0.03 . 1 . . . . 482 . . . 6236 1 306 . 1 1 23 23 ALA HB2 H 1 1.450 0.03 . 1 . . . . 482 . . . 6236 1 307 . 1 1 23 23 ALA HB3 H 1 1.450 0.03 . 1 . . . . 482 . . . 6236 1 308 . 1 1 23 23 ALA C C 13 176.150 0.12 . 1 . . . . 482 . . . 6236 1 309 . 1 1 24 24 VAL N N 15 119.100 0.15 . 1 . . . . 483 . . . 6236 1 310 . 1 1 24 24 VAL H H 1 8.030 0.03 . 1 . . . . 483 . . . 6236 1 311 . 1 1 24 24 VAL CA C 13 58.920 0.12 . 1 . . . . 483 . . . 6236 1 312 . 1 1 24 24 VAL HA H 1 4.270 0.03 . 1 . . . . 483 . . . 6236 1 313 . 1 1 24 24 VAL CB C 13 34.500 0.12 . 1 . . . . 483 . . . 6236 1 314 . 1 1 24 24 VAL HB H 1 1.970 0.03 . 9 . . . . 483 . . . 6236 1 315 . 1 1 24 24 VAL CG2 C 13 20.400 0.12 . 9 . . . . 483 . . . 6236 1 316 . 1 1 24 24 VAL HG21 H 1 0.920 0.03 . 9 . . . . 483 . . . 6236 1 317 . 1 1 24 24 VAL HG22 H 1 0.920 0.03 . 9 . . . . 483 . . . 6236 1 318 . 1 1 24 24 VAL HG23 H 1 0.920 0.03 . 9 . . . . 483 . . . 6236 1 319 . 1 1 24 24 VAL CG1 C 13 20.700 0.12 . 9 . . . . 483 . . . 6236 1 320 . 1 1 24 24 VAL HG11 H 1 0.870 0.03 . 9 . . . . 483 . . . 6236 1 321 . 1 1 24 24 VAL HG12 H 1 0.870 0.03 . 9 . . . . 483 . . . 6236 1 322 . 1 1 24 24 VAL HG13 H 1 0.870 0.03 . 9 . . . . 483 . . . 6236 1 323 . 1 1 24 24 VAL C C 13 175.370 0.12 . 1 . . . . 483 . . . 6236 1 324 . 1 1 25 25 PRO CA C 13 61.900 0.12 . 1 . . . . 484 . . . 6236 1 325 . 1 1 25 25 PRO HA H 1 5.100 0.03 . 1 . . . . 484 . . . 6236 1 326 . 1 1 25 25 PRO CB C 13 32.800 0.12 . 1 . . . . 484 . . . 6236 1 327 . 1 1 25 25 PRO HB2 H 1 2.040 0.03 . 2 . . . . 484 . . . 6236 1 328 . 1 1 25 25 PRO HB3 H 1 2.450 0.03 . 2 . . . . 484 . . . 6236 1 329 . 1 1 25 25 PRO CG C 13 24.600 0.12 . 1 . . . . 484 . . . 6236 1 330 . 1 1 25 25 PRO HG3 H 1 1.980 0.03 . 9 . . . . 484 . . . 6236 1 331 . 1 1 25 25 PRO HG2 H 1 1.880 0.03 . 9 . . . . 484 . . . 6236 1 332 . 1 1 25 25 PRO CD C 13 49.700 0.12 . 1 . . . . 484 . . . 6236 1 333 . 1 1 25 25 PRO HD3 H 1 3.600 0.03 . 9 . . . . 484 . . . 6236 1 334 . 1 1 25 25 PRO HD2 H 1 3.530 0.03 . 9 . . . . 484 . . . 6236 1 335 . 1 1 26 26 PRO CA C 13 62.400 0.12 . 1 . . . . 485 . . . 6236 1 336 . 1 1 26 26 PRO HA H 1 4.500 0.03 . 1 . . . . 485 . . . 6236 1 337 . 1 1 26 26 PRO CB C 13 31.900 0.12 . 1 . . . . 485 . . . 6236 1 338 . 1 1 26 26 PRO HB2 H 1 1.590 0.03 . 2 . . . . 485 . . . 6236 1 339 . 1 1 26 26 PRO HB3 H 1 2.340 0.03 . 2 . . . . 485 . . . 6236 1 340 . 1 1 26 26 PRO CG C 13 27.300 0.12 . 1 . . . . 485 . . . 6236 1 341 . 1 1 26 26 PRO HG3 H 1 2.020 0.03 . 9 . . . . 485 . . . 6236 1 342 . 1 1 26 26 PRO HG2 H 1 2.130 0.03 . 9 . . . . 485 . . . 6236 1 343 . 1 1 26 26 PRO CD C 13 49.700 0.12 . 1 . . . . 485 . . . 6236 1 344 . 1 1 26 26 PRO HD3 H 1 3.870 0.03 . 9 . . . . 485 . . . 6236 1 345 . 1 1 26 26 PRO HD2 H 1 3.650 0.03 . 9 . . . . 485 . . . 6236 1 346 . 1 1 27 27 ARG N N 15 122.300 0.15 . 1 . . . . 486 . . . 6236 1 347 . 1 1 27 27 ARG H H 1 9.230 0.03 . 1 . . . . 486 . . . 6236 1 348 . 1 1 27 27 ARG CA C 13 52.700 0.12 . 1 . . . . 486 . . . 6236 1 349 . 1 1 27 27 ARG HA H 1 4.960 0.03 . 1 . . . . 486 . . . 6236 1 350 . 1 1 27 27 ARG CB C 13 31.400 0.12 . 1 . . . . 486 . . . 6236 1 351 . 1 1 27 27 ARG HB2 H 1 1.910 0.03 . 2 . . . . 486 . . . 6236 1 352 . 1 1 27 27 ARG HB3 H 1 2.140 0.03 . 2 . . . . 486 . . . 6236 1 353 . 1 1 27 27 ARG CG C 13 26.100 0.12 . 1 . . . . 486 . . . 6236 1 354 . 1 1 27 27 ARG HG3 H 1 1.610 0.03 . 9 . . . . 486 . . . 6236 1 355 . 1 1 27 27 ARG HG2 H 1 1.750 0.03 . 9 . . . . 486 . . . 6236 1 356 . 1 1 27 27 ARG CD C 13 43.800 0.12 . 1 . . . . 486 . . . 6236 1 357 . 1 1 27 27 ARG HD3 H 1 3.150 0.03 . 9 . . . . 486 . . . 6236 1 358 . 1 1 27 27 ARG HD2 H 1 3.210 0.03 . 9 . . . . 486 . . . 6236 1 359 . 1 1 27 27 ARG NE N 15 128.300 0.15 . 9 . . . . 486 . . . 6236 1 360 . 1 1 27 27 ARG HE H 1 9.640 0.03 . 9 . . . . 486 . . . 6236 1 361 . 1 1 27 27 ARG C C 13 176.970 0.12 . 1 . . . . 486 . . . 6236 1 362 . 1 1 28 28 PRO CA C 13 66.600 0.12 . 1 . . . . 487 . . . 6236 1 363 . 1 1 28 28 PRO HA H 1 4.050 0.03 . 1 . . . . 487 . . . 6236 1 364 . 1 1 28 28 PRO CB C 13 32.600 0.12 . 1 . . . . 487 . . . 6236 1 365 . 1 1 28 28 PRO HB2 H 1 2.070 0.03 . 2 . . . . 487 . . . 6236 1 366 . 1 1 28 28 PRO HB3 H 1 2.370 0.03 . 2 . . . . 487 . . . 6236 1 367 . 1 1 28 28 PRO CG C 13 27.600 0.12 . 1 . . . . 487 . . . 6236 1 368 . 1 1 28 28 PRO HG3 H 1 2.330 0.03 . 9 . . . . 487 . . . 6236 1 369 . 1 1 28 28 PRO HG2 H 1 1.950 0.03 . 9 . . . . 487 . . . 6236 1 370 . 1 1 28 28 PRO CD C 13 50.300 0.12 . 1 . . . . 487 . . . 6236 1 371 . 1 1 28 28 PRO HD3 H 1 4.000 0.03 . 9 . . . . 487 . . . 6236 1 372 . 1 1 28 28 PRO HD2 H 1 3.840 0.03 . 9 . . . . 487 . . . 6236 1 373 . 1 1 29 29 ARG N N 15 115.200 0.15 . 1 . . . . 488 . . . 6236 1 374 . 1 1 29 29 ARG H H 1 8.880 0.03 . 1 . . . . 488 . . . 6236 1 375 . 1 1 29 29 ARG CA C 13 58.300 0.12 . 1 . . . . 488 . . . 6236 1 376 . 1 1 29 29 ARG HA H 1 4.110 0.03 . 1 . . . . 488 . . . 6236 1 377 . 1 1 29 29 ARG CB C 13 28.200 0.12 . 1 . . . . 488 . . . 6236 1 378 . 1 1 29 29 ARG HB2 H 1 2.090 0.03 . 1 . . . . 488 . . . 6236 1 379 . 1 1 29 29 ARG HB3 H 1 2.090 0.03 . 1 . . . . 488 . . . 6236 1 380 . 1 1 29 29 ARG CG C 13 25.400 0.12 . 1 . . . . 488 . . . 6236 1 381 . 1 1 29 29 ARG HG3 H 1 1.880 0.03 . 9 . . . . 488 . . . 6236 1 382 . 1 1 29 29 ARG HG2 H 1 1.880 0.03 . 9 . . . . 488 . . . 6236 1 383 . 1 1 29 29 ARG CD C 13 41.800 0.12 . 1 . . . . 488 . . . 6236 1 384 . 1 1 29 29 ARG HD3 H 1 3.320 0.03 . 9 . . . . 488 . . . 6236 1 385 . 1 1 29 29 ARG HD2 H 1 3.200 0.03 . 9 . . . . 488 . . . 6236 1 386 . 1 1 29 29 ARG C C 13 177.320 0.12 . 1 . . . . 488 . . . 6236 1 387 . 1 1 30 30 HIS N N 15 120.300 0.15 . 1 . . . . 489 . . . 6236 1 388 . 1 1 30 30 HIS H H 1 7.330 0.03 . 1 . . . . 489 . . . 6236 1 389 . 1 1 30 30 HIS CA C 13 59.100 0.12 . 1 . . . . 489 . . . 6236 1 390 . 1 1 30 30 HIS HA H 1 4.720 0.03 . 1 . . . . 489 . . . 6236 1 391 . 1 1 30 30 HIS CB C 13 31.200 0.12 . 1 . . . . 489 . . . 6236 1 392 . 1 1 30 30 HIS HB2 H 1 3.490 0.03 . 2 . . . . 489 . . . 6236 1 393 . 1 1 30 30 HIS HB3 H 1 3.210 0.03 . 2 . . . . 489 . . . 6236 1 394 . 1 1 30 30 HIS CD2 C 13 118.600 0.12 . 9 . . . . 489 . . . 6236 1 395 . 1 1 30 30 HIS HD2 H 1 7.030 0.03 . 9 . . . . 489 . . . 6236 1 396 . 1 1 30 30 HIS CE1 C 13 139.100 0.12 . 9 . . . . 489 . . . 6236 1 397 . 1 1 30 30 HIS HE1 H 1 7.860 0.03 . 9 . . . . 489 . . . 6236 1 398 . 1 1 30 30 HIS C C 13 178.270 0.12 . 1 . . . . 489 . . . 6236 1 399 . 1 1 31 31 VAL N N 15 117.500 0.15 . 1 . . . . 490 . . . 6236 1 400 . 1 1 31 31 VAL H H 1 8.420 0.03 . 1 . . . . 490 . . . 6236 1 401 . 1 1 31 31 VAL CA C 13 67.200 0.12 . 1 . . . . 490 . . . 6236 1 402 . 1 1 31 31 VAL HA H 1 3.250 0.03 . 1 . . . . 490 . . . 6236 1 403 . 1 1 31 31 VAL CB C 13 30.800 0.12 . 1 . . . . 490 . . . 6236 1 404 . 1 1 31 31 VAL HB H 1 2.280 0.03 . 9 . . . . 490 . . . 6236 1 405 . 1 1 31 31 VAL CG2 C 13 22.900 0.12 . 9 . . . . 490 . . . 6236 1 406 . 1 1 31 31 VAL HG21 H 1 0.970 0.03 . 9 . . . . 490 . . . 6236 1 407 . 1 1 31 31 VAL HG22 H 1 0.970 0.03 . 9 . . . . 490 . . . 6236 1 408 . 1 1 31 31 VAL HG23 H 1 0.970 0.03 . 9 . . . . 490 . . . 6236 1 409 . 1 1 31 31 VAL CG1 C 13 22.400 0.12 . 9 . . . . 490 . . . 6236 1 410 . 1 1 31 31 VAL HG11 H 1 0.950 0.03 . 9 . . . . 490 . . . 6236 1 411 . 1 1 31 31 VAL HG12 H 1 0.950 0.03 . 9 . . . . 490 . . . 6236 1 412 . 1 1 31 31 VAL HG13 H 1 0.950 0.03 . 9 . . . . 490 . . . 6236 1 413 . 1 1 31 31 VAL C C 13 177.400 0.12 . 1 . . . . 490 . . . 6236 1 414 . 1 1 32 32 PHE N N 15 118.400 0.15 . 1 . . . . 491 . . . 6236 1 415 . 1 1 32 32 PHE H H 1 8.560 0.03 . 1 . . . . 491 . . . 6236 1 416 . 1 1 32 32 PHE CA C 13 62.300 0.12 . 1 . . . . 491 . . . 6236 1 417 . 1 1 32 32 PHE HA H 1 3.930 0.03 . 1 . . . . 491 . . . 6236 1 418 . 1 1 32 32 PHE CB C 13 38.000 0.12 . 1 . . . . 491 . . . 6236 1 419 . 1 1 32 32 PHE HB2 H 1 3.200 0.03 . 1 . . . . 491 . . . 6236 1 420 . 1 1 32 32 PHE HB3 H 1 3.200 0.03 . 1 . . . . 491 . . . 6236 1 421 . 1 1 32 32 PHE CD1 C 13 131.2 0.12 . 9 . . . . 491 . . . 6236 1 422 . 1 1 32 32 PHE HD1 H 1 7.160 0.03 . 9 . . . . 491 . . . 6236 1 423 . 1 1 32 32 PHE CE1 C 13 129.800 0.12 . 9 . . . . 491 . . . 6236 1 424 . 1 1 32 32 PHE HE1 H 1 7.290 0.03 . 9 . . . . 491 . . . 6236 1 425 . 1 1 32 32 PHE CZ C 13 129.800 0.12 . 9 . . . . 491 . . . 6236 1 426 . 1 1 32 32 PHE HZ H 1 7.290 0.03 . 9 . . . . 491 . . . 6236 1 427 . 1 1 32 32 PHE CE2 C 13 129.800 0.12 . 9 . . . . 491 . . . 6236 1 428 . 1 1 32 32 PHE HE2 H 1 7.290 0.03 . 9 . . . . 491 . . . 6236 1 429 . 1 1 32 32 PHE CD2 C 13 131.200 0.12 . 9 . . . . 491 . . . 6236 1 430 . 1 1 32 32 PHE HD2 H 1 7.160 0.03 . 9 . . . . 491 . . . 6236 1 431 . 1 1 32 32 PHE C C 13 177.650 0.12 . 1 . . . . 491 . . . 6236 1 432 . 1 1 33 33 ASN N N 15 117.700 0.15 . 1 . . . . 492 . . . 6236 1 433 . 1 1 33 33 ASN H H 1 8.380 0.03 . 1 . . . . 492 . . . 6236 1 434 . 1 1 33 33 ASN CA C 13 56.000 0.12 . 1 . . . . 492 . . . 6236 1 435 . 1 1 33 33 ASN HA H 1 4.230 0.03 . 1 . . . . 492 . . . 6236 1 436 . 1 1 33 33 ASN CB C 13 37.700 0.12 . 1 . . . . 492 . . . 6236 1 437 . 1 1 33 33 ASN HB2 H 1 2.790 0.03 . 2 . . . . 492 . . . 6236 1 438 . 1 1 33 33 ASN HB3 H 1 3.070 0.03 . 2 . . . . 492 . . . 6236 1 439 . 1 1 33 33 ASN ND2 N 15 112.100 0.15 . 9 . . . . 492 . . . 6236 1 440 . 1 1 33 33 ASN HD21 H 1 7.900 0.03 . 9 . . . . 492 . . . 6236 1 441 . 1 1 33 33 ASN HD22 H 1 7.000 0.03 . 9 . . . . 492 . . . 6236 1 442 . 1 1 33 33 ASN C C 13 175.790 0.12 . 1 . . . . 492 . . . 6236 1 443 . 1 1 34 34 MET N N 15 117.700 0.15 . 1 . . . . 493 . . . 6236 1 444 . 1 1 34 34 MET H H 1 8.390 0.03 . 1 . . . . 493 . . . 6236 1 445 . 1 1 34 34 MET CA C 13 56.400 0.12 . 1 . . . . 493 . . . 6236 1 446 . 1 1 34 34 MET HA H 1 4.490 0.03 . 1 . . . . 493 . . . 6236 1 447 . 1 1 34 34 MET CB C 13 33.500 0.12 . 1 . . . . 493 . . . 6236 1 448 . 1 1 34 34 MET HB2 H 1 1.810 0.03 . 2 . . . . 493 . . . 6236 1 449 . 1 1 34 34 MET HB3 H 1 2.140 0.03 . 2 . . . . 493 . . . 6236 1 450 . 1 1 34 34 MET CG C 13 32.000 0.12 . 1 . . . . 493 . . . 6236 1 451 . 1 1 34 34 MET HG3 H 1 2.290 0.03 . 9 . . . . 493 . . . 6236 1 452 . 1 1 34 34 MET HG2 H 1 2.290 0.03 . 9 . . . . 493 . . . 6236 1 453 . 1 1 34 34 MET CE C 13 20.000 0.12 . 9 . . . . 493 . . . 6236 1 454 . 1 1 34 34 MET HE1 H 1 2.010 0.03 . 9 . . . . 493 . . . 6236 1 455 . 1 1 34 34 MET HE2 H 1 2.010 0.03 . 9 . . . . 493 . . . 6236 1 456 . 1 1 34 34 MET HE3 H 1 2.010 0.03 . 9 . . . . 493 . . . 6236 1 457 . 1 1 34 34 MET C C 13 178.670 0.12 . 1 . . . . 493 . . . 6236 1 458 . 1 1 35 35 LEU N N 15 126.400 0.15 . 1 . . . . 494 . . . 6236 1 459 . 1 1 35 35 LEU H H 1 9.270 0.03 . 1 . . . . 494 . . . 6236 1 460 . 1 1 35 35 LEU CA C 13 58.500 0.12 . 1 . . . . 494 . . . 6236 1 461 . 1 1 35 35 LEU HA H 1 3.510 0.03 . 1 . . . . 494 . . . 6236 1 462 . 1 1 35 35 LEU CB C 13 40.900 0.12 . 1 . . . . 494 . . . 6236 1 463 . 1 1 35 35 LEU HB2 H 1 1.490 0.03 . 2 . . . . 494 . . . 6236 1 464 . 1 1 35 35 LEU HB3 H 1 1.810 0.03 . 2 . . . . 494 . . . 6236 1 465 . 1 1 35 35 LEU CG C 13 26.600 0.12 . 1 . . . . 494 . . . 6236 1 466 . 1 1 35 35 LEU HG H 1 1.160 0.03 . 9 . . . . 494 . . . 6236 1 467 . 1 1 35 35 LEU CD1 C 13 22.800 0.12 . 9 . . . . 494 . . . 6236 1 468 . 1 1 35 35 LEU HD11 H 1 0.490 0.03 . 9 . . . . 494 . . . 6236 1 469 . 1 1 35 35 LEU HD12 H 1 0.490 0.03 . 9 . . . . 494 . . . 6236 1 470 . 1 1 35 35 LEU HD13 H 1 0.490 0.03 . 9 . . . . 494 . . . 6236 1 471 . 1 1 35 35 LEU CD2 C 13 26.500 0.12 . 9 . . . . 494 . . . 6236 1 472 . 1 1 35 35 LEU HD21 H 1 0.740 0.03 . 9 . . . . 494 . . . 6236 1 473 . 1 1 35 35 LEU HD22 H 1 0.740 0.03 . 9 . . . . 494 . . . 6236 1 474 . 1 1 35 35 LEU HD23 H 1 0.740 0.03 . 9 . . . . 494 . . . 6236 1 475 . 1 1 35 35 LEU C C 13 179.850 0.12 . 1 . . . . 494 . . . 6236 1 476 . 1 1 36 36 LYS N N 15 119.400 0.15 . 1 . . . . 495 . . . 6236 1 477 . 1 1 36 36 LYS H H 1 8.590 0.03 . 1 . . . . 495 . . . 6236 1 478 . 1 1 36 36 LYS CA C 13 60.200 0.12 . 1 . . . . 495 . . . 6236 1 479 . 1 1 36 36 LYS HA H 1 3.520 0.03 . 1 . . . . 495 . . . 6236 1 480 . 1 1 36 36 LYS CB C 13 31.500 0.12 . 1 . . . . 495 . . . 6236 1 481 . 1 1 36 36 LYS HB2 H 1 1.240 0.03 . 2 . . . . 495 . . . 6236 1 482 . 1 1 36 36 LYS HB3 H 1 1.640 0.03 . 2 . . . . 495 . . . 6236 1 483 . 1 1 36 36 LYS CG C 13 24.600 0.12 . 1 . . . . 495 . . . 6236 1 484 . 1 1 36 36 LYS HG3 H 1 1.100 0.03 . 9 . . . . 495 . . . 6236 1 485 . 1 1 36 36 LYS HG2 H 1 1.160 0.03 . 9 . . . . 495 . . . 6236 1 486 . 1 1 36 36 LYS CD C 13 29.900 0.12 . 1 . . . . 495 . . . 6236 1 487 . 1 1 36 36 LYS HD3 H 1 1.640 0.03 . 9 . . . . 495 . . . 6236 1 488 . 1 1 36 36 LYS HD2 H 1 1.640 0.03 . 9 . . . . 495 . . . 6236 1 489 . 1 1 36 36 LYS CE C 13 41.900 0.12 . 9 . . . . 495 . . . 6236 1 490 . 1 1 36 36 LYS HE3 H 1 2.860 0.03 . 9 . . . . 495 . . . 6236 1 491 . 1 1 36 36 LYS HE2 H 1 2.860 0.03 . 9 . . . . 495 . . . 6236 1 492 . 1 1 36 36 LYS C C 13 177.880 0.12 . 1 . . . . 495 . . . 6236 1 493 . 1 1 37 37 LYS N N 15 116.600 0.15 . 1 . . . . 496 . . . 6236 1 494 . 1 1 37 37 LYS H H 1 7.160 0.03 . 1 . . . . 496 . . . 6236 1 495 . 1 1 37 37 LYS CA C 13 59.600 0.12 . 1 . . . . 496 . . . 6236 1 496 . 1 1 37 37 LYS HA H 1 3.940 0.03 . 1 . . . . 496 . . . 6236 1 497 . 1 1 37 37 LYS CB C 13 32.600 0.12 . 1 . . . . 496 . . . 6236 1 498 . 1 1 37 37 LYS HB2 H 1 1.940 0.03 . 1 . . . . 496 . . . 6236 1 499 . 1 1 37 37 LYS HB3 H 1 1.940 0.03 . 1 . . . . 496 . . . 6236 1 500 . 1 1 37 37 LYS CG C 13 25.600 0.12 . 1 . . . . 496 . . . 6236 1 501 . 1 1 37 37 LYS HG3 H 1 1.710 0.03 . 9 . . . . 496 . . . 6236 1 502 . 1 1 37 37 LYS HG2 H 1 1.490 0.03 . 9 . . . . 496 . . . 6236 1 503 . 1 1 37 37 LYS CD C 13 29.500 0.12 . 1 . . . . 496 . . . 6236 1 504 . 1 1 37 37 LYS HD3 H 1 1.720 0.03 . 9 . . . . 496 . . . 6236 1 505 . 1 1 37 37 LYS HD2 H 1 1.720 0.03 . 9 . . . . 496 . . . 6236 1 506 . 1 1 37 37 LYS CE C 13 42.200 0.12 . 9 . . . . 496 . . . 6236 1 507 . 1 1 37 37 LYS HE3 H 1 2.990 0.03 . 9 . . . . 496 . . . 6236 1 508 . 1 1 37 37 LYS HE2 H 1 2.990 0.03 . 9 . . . . 496 . . . 6236 1 509 . 1 1 37 37 LYS C C 13 177.830 0.12 . 1 . . . . 496 . . . 6236 1 510 . 1 1 38 38 TYR N N 15 120.800 0.15 . 1 . . . . 497 . . . 6236 1 511 . 1 1 38 38 TYR H H 1 7.680 0.03 . 1 . . . . 497 . . . 6236 1 512 . 1 1 38 38 TYR CA C 13 61.000 0.12 . 1 . . . . 497 . . . 6236 1 513 . 1 1 38 38 TYR HA H 1 4.190 0.03 . 1 . . . . 497 . . . 6236 1 514 . 1 1 38 38 TYR CB C 13 37.000 0.12 . 1 . . . . 497 . . . 6236 1 515 . 1 1 38 38 TYR HB2 H 1 2.880 0.03 . 1 . . . . 497 . . . 6236 1 516 . 1 1 38 38 TYR HB3 H 1 2.880 0.03 . 1 . . . . 497 . . . 6236 1 517 . 1 1 38 38 TYR CD1 C 13 132.500 0.12 . 9 . . . . 497 . . . 6236 1 518 . 1 1 38 38 TYR HD1 H 1 6.770 0.03 . 9 . . . . 497 . . . 6236 1 519 . 1 1 38 38 TYR CE1 C 13 121.200 0.12 . 9 . . . . 497 . . . 6236 1 520 . 1 1 38 38 TYR HE1 H 1 6.620 0.03 . 9 . . . . 497 . . . 6236 1 521 . 1 1 38 38 TYR CE2 C 13 121.200 0.12 . 9 . . . . 497 . . . 6236 1 522 . 1 1 38 38 TYR HE2 H 1 6.620 0.03 . 9 . . . . 497 . . . 6236 1 523 . 1 1 38 38 TYR CD2 C 13 132.500 0.12 . 9 . . . . 497 . . . 6236 1 524 . 1 1 38 38 TYR HD2 H 1 6.770 0.03 . 9 . . . . 497 . . . 6236 1 525 . 1 1 38 38 TYR C C 13 179.150 0.12 . 1 . . . . 497 . . . 6236 1 526 . 1 1 39 39 VAL N N 15 120.600 0.15 . 1 . . . . 498 . . . 6236 1 527 . 1 1 39 39 VAL H H 1 8.840 0.03 . 1 . . . . 498 . . . 6236 1 528 . 1 1 39 39 VAL CA C 13 66.600 0.12 . 1 . . . . 498 . . . 6236 1 529 . 1 1 39 39 VAL HA H 1 2.900 0.03 . 1 . . . . 498 . . . 6236 1 530 . 1 1 39 39 VAL CB C 13 31.300 0.12 . 1 . . . . 498 . . . 6236 1 531 . 1 1 39 39 VAL HB H 1 1.920 0.03 . 9 . . . . 498 . . . 6236 1 532 . 1 1 39 39 VAL CG2 C 13 22.900 0.12 . 9 . . . . 498 . . . 6236 1 533 . 1 1 39 39 VAL HG21 H 1 0.860 0.03 . 9 . . . . 498 . . . 6236 1 534 . 1 1 39 39 VAL HG22 H 1 0.860 0.03 . 9 . . . . 498 . . . 6236 1 535 . 1 1 39 39 VAL HG23 H 1 0.860 0.03 . 9 . . . . 498 . . . 6236 1 536 . 1 1 39 39 VAL CG1 C 13 20.600 0.12 . 9 . . . . 498 . . . 6236 1 537 . 1 1 39 39 VAL HG11 H 1 0.750 0.03 . 9 . . . . 498 . . . 6236 1 538 . 1 1 39 39 VAL HG12 H 1 0.750 0.03 . 9 . . . . 498 . . . 6236 1 539 . 1 1 39 39 VAL HG13 H 1 0.750 0.03 . 9 . . . . 498 . . . 6236 1 540 . 1 1 39 39 VAL C C 13 175.290 0.12 . 1 . . . . 498 . . . 6236 1 541 . 1 1 40 40 ARG N N 15 117.234 0.15 . 1 . . . . 499 . . . 6236 1 542 . 1 1 40 40 ARG H H 1 8.156 0.03 . 1 . . . . 499 . . . 6236 1 543 . 1 1 40 40 ARG CA C 13 58.820 0.12 . 1 . . . . 499 . . . 6236 1 544 . 1 1 40 40 ARG HA H 1 4.040 0.03 . 1 . . . . 499 . . . 6236 1 545 . 1 1 40 40 ARG CB C 13 29.310 0.12 . 1 . . . . 499 . . . 6236 1 546 . 1 1 40 40 ARG HB2 H 1 1.800 0.03 . 2 . . . . 499 . . . 6236 1 547 . 1 1 40 40 ARG HB3 H 1 1.920 0.03 . 2 . . . . 499 . . . 6236 1 548 . 1 1 40 40 ARG CG C 13 27.540 0.12 . 1 . . . . 499 . . . 6236 1 549 . 1 1 40 40 ARG HG3 H 1 1.700 0.03 . 9 . . . . 499 . . . 6236 1 550 . 1 1 40 40 ARG HG2 H 1 1.700 0.03 . 9 . . . . 499 . . . 6236 1 551 . 1 1 40 40 ARG CD C 13 43.000 0.12 . 1 . . . . 499 . . . 6236 1 552 . 1 1 40 40 ARG HD3 H 1 3.190 0.03 . 9 . . . . 499 . . . 6236 1 553 . 1 1 40 40 ARG HD2 H 1 3.190 0.03 . 9 . . . . 499 . . . 6236 1 554 . 1 1 40 40 ARG HE H 1 6.778 0.03 . 9 . . . . 499 . . . 6236 1 555 . 1 1 40 40 ARG C C 13 178.140 0.12 . 1 . . . . 499 . . . 6236 1 556 . 1 1 41 41 ALA N N 15 122.500 0.15 . 1 . . . . 500 . . . 6236 1 557 . 1 1 41 41 ALA H H 1 7.520 0.03 . 1 . . . . 500 . . . 6236 1 558 . 1 1 41 41 ALA CA C 13 55.400 0.12 . 1 . . . . 500 . . . 6236 1 559 . 1 1 41 41 ALA HA H 1 4.110 0.03 . 1 . . . . 500 . . . 6236 1 560 . 1 1 41 41 ALA CB C 13 17.100 0.12 . 1 . . . . 500 . . . 6236 1 561 . 1 1 41 41 ALA HB1 H 1 1.470 0.03 . 1 . . . . 500 . . . 6236 1 562 . 1 1 41 41 ALA HB2 H 1 1.470 0.03 . 1 . . . . 500 . . . 6236 1 563 . 1 1 41 41 ALA HB3 H 1 1.470 0.03 . 1 . . . . 500 . . . 6236 1 564 . 1 1 41 41 ALA C C 13 178.200 0.12 . 1 . . . . 500 . . . 6236 1 565 . 1 1 42 42 GLU N N 15 118.930 0.15 . 1 . . . . 501 . . . 6236 1 566 . 1 1 42 42 GLU H H 1 7.678 0.03 . 1 . . . . 501 . . . 6236 1 567 . 1 1 42 42 GLU CA C 13 58.684 0.12 . 1 . . . . 501 . . . 6236 1 568 . 1 1 42 42 GLU HA H 1 4.720 0.03 . 1 . . . . 501 . . . 6236 1 569 . 1 1 42 42 GLU CB C 13 29.450 0.12 . 1 . . . . 501 . . . 6236 1 570 . 1 1 42 42 GLU HB2 H 1 1.930 0.03 . 2 . . . . 501 . . . 6236 1 571 . 1 1 42 42 GLU HB3 H 1 1.780 0.03 . 2 . . . . 501 . . . 6236 1 572 . 1 1 42 42 GLU CG C 13 33.100 0.12 . 1 . . . . 501 . . . 6236 1 573 . 1 1 42 42 GLU HG3 H 1 1.670 0.03 . 9 . . . . 501 . . . 6236 1 574 . 1 1 42 42 GLU HG2 H 1 1.670 0.03 . 9 . . . . 501 . . . 6236 1 575 . 1 1 42 42 GLU C C 13 181.100 0.12 . 1 . . . . 501 . . . 6236 1 576 . 1 1 43 43 GLN N N 15 117.700 0.15 . 1 . . . . 502 . . . 6236 1 577 . 1 1 43 43 GLN H H 1 8.510 0.03 . 1 . . . . 502 . . . 6236 1 578 . 1 1 43 43 GLN CA C 13 58.400 0.12 . 1 . . . . 502 . . . 6236 1 579 . 1 1 43 43 GLN HA H 1 3.980 0.03 . 1 . . . . 502 . . . 6236 1 580 . 1 1 43 43 GLN CB C 13 28.000 0.12 . 1 . . . . 502 . . . 6236 1 581 . 1 1 43 43 GLN HB2 H 1 2.260 0.03 . 2 . . . . 502 . . . 6236 1 582 . 1 1 43 43 GLN HB3 H 1 2.080 0.03 . 2 . . . . 502 . . . 6236 1 583 . 1 1 43 43 GLN CG C 13 33.700 0.12 . 1 . . . . 502 . . . 6236 1 584 . 1 1 43 43 GLN HG3 H 1 2.370 0.03 . 9 . . . . 502 . . . 6236 1 585 . 1 1 43 43 GLN HG2 H 1 2.540 0.03 . 9 . . . . 502 . . . 6236 1 586 . 1 1 43 43 GLN NE2 N 15 110.700 0.15 . 9 . . . . 502 . . . 6236 1 587 . 1 1 43 43 GLN HE21 H 1 7.370 0.03 . 9 . . . . 502 . . . 6236 1 588 . 1 1 43 43 GLN HE22 H 1 6.820 0.03 . 9 . . . . 502 . . . 6236 1 589 . 1 1 43 43 GLN C C 13 179.730 0.12 . 1 . . . . 502 . . . 6236 1 590 . 1 1 44 44 LYS N N 15 120.600 0.15 . 1 . . . . 503 . . . 6236 1 591 . 1 1 44 44 LYS H H 1 8.420 0.03 . 1 . . . . 503 . . . 6236 1 592 . 1 1 44 44 LYS CA C 13 59.100 0.12 . 1 . . . . 503 . . . 6236 1 593 . 1 1 44 44 LYS HA H 1 4.090 0.03 . 1 . . . . 503 . . . 6236 1 594 . 1 1 44 44 LYS CB C 13 31.800 0.12 . 1 . . . . 503 . . . 6236 1 595 . 1 1 44 44 LYS HB2 H 1 1.850 0.03 . 2 . . . . 503 . . . 6236 1 596 . 1 1 44 44 LYS HB3 H 1 1.980 0.03 . 2 . . . . 503 . . . 6236 1 597 . 1 1 44 44 LYS CG C 13 25.100 0.12 . 1 . . . . 503 . . . 6236 1 598 . 1 1 44 44 LYS HG3 H 1 1.470 0.03 . 9 . . . . 503 . . . 6236 1 599 . 1 1 44 44 LYS HG2 H 1 1.550 0.03 . 9 . . . . 503 . . . 6236 1 600 . 1 1 44 44 LYS CD C 13 28.700 0.12 . 1 . . . . 503 . . . 6236 1 601 . 1 1 44 44 LYS HD3 H 1 1.700 0.03 . 9 . . . . 503 . . . 6236 1 602 . 1 1 44 44 LYS HD2 H 1 1.700 0.03 . 9 . . . . 503 . . . 6236 1 603 . 1 1 44 44 LYS CE C 13 42.300 0.12 . 9 . . . . 503 . . . 6236 1 604 . 1 1 44 44 LYS HE3 H 1 2.940 0.03 . 9 . . . . 503 . . . 6236 1 605 . 1 1 44 44 LYS HE2 H 1 2.940 0.03 . 9 . . . . 503 . . . 6236 1 606 . 1 1 44 44 LYS C C 13 179.070 0.12 . 1 . . . . 503 . . . 6236 1 607 . 1 1 45 45 ASP N N 15 120.800 0.15 . 1 . . . . 504 . . . 6236 1 608 . 1 1 45 45 ASP H H 1 7.460 0.03 . 1 . . . . 504 . . . 6236 1 609 . 1 1 45 45 ASP CA C 13 56.900 0.12 . 1 . . . . 504 . . . 6236 1 610 . 1 1 45 45 ASP HA H 1 4.500 0.03 . 1 . . . . 504 . . . 6236 1 611 . 1 1 45 45 ASP CB C 13 40.800 0.12 . 1 . . . . 504 . . . 6236 1 612 . 1 1 45 45 ASP HB2 H 1 3.290 0.03 . 2 . . . . 504 . . . 6236 1 613 . 1 1 45 45 ASP HB3 H 1 2.710 0.03 . 2 . . . . 504 . . . 6236 1 614 . 1 1 45 45 ASP C C 13 179.070 0.12 . 1 . . . . 504 . . . 6236 1 615 . 1 1 46 46 ARG N N 15 122.800 0.15 . 1 . . . . 505 . . . 6236 1 616 . 1 1 46 46 ARG H H 1 8.530 0.03 . 1 . . . . 505 . . . 6236 1 617 . 1 1 46 46 ARG CA C 13 60.800 0.12 . 1 . . . . 505 . . . 6236 1 618 . 1 1 46 46 ARG HA H 1 3.630 0.03 . 1 . . . . 505 . . . 6236 1 619 . 1 1 46 46 ARG CB C 13 29.900 0.12 . 1 . . . . 505 . . . 6236 1 620 . 1 1 46 46 ARG HB2 H 1 1.860 0.03 . 2 . . . . 505 . . . 6236 1 621 . 1 1 46 46 ARG HB3 H 1 2.140 0.03 . 2 . . . . 505 . . . 6236 1 622 . 1 1 46 46 ARG CG C 13 27.700 0.12 . 1 . . . . 505 . . . 6236 1 623 . 1 1 46 46 ARG HG3 H 1 1.510 0.03 . 9 . . . . 505 . . . 6236 1 624 . 1 1 46 46 ARG HG2 H 1 1.650 0.03 . 9 . . . . 505 . . . 6236 1 625 . 1 1 46 46 ARG CD C 13 43.400 0.12 . 1 . . . . 505 . . . 6236 1 626 . 1 1 46 46 ARG HD3 H 1 3.210 0.03 . 9 . . . . 505 . . . 6236 1 627 . 1 1 46 46 ARG HD2 H 1 3.210 0.03 . 9 . . . . 505 . . . 6236 1 628 . 1 1 46 46 ARG C C 13 179.040 0.12 . 1 . . . . 505 . . . 6236 1 629 . 1 1 47 47 GLN N N 15 116.900 0.15 . 1 . . . . 506 . . . 6236 1 630 . 1 1 47 47 GLN H H 1 8.830 0.03 . 1 . . . . 506 . . . 6236 1 631 . 1 1 47 47 GLN CA C 13 59.100 0.12 . 1 . . . . 506 . . . 6236 1 632 . 1 1 47 47 GLN HA H 1 4.050 0.03 . 1 . . . . 506 . . . 6236 1 633 . 1 1 47 47 GLN CB C 13 28.500 0.12 . 1 . . . . 506 . . . 6236 1 634 . 1 1 47 47 GLN HB2 H 1 2.220 0.03 . 2 . . . . 506 . . . 6236 1 635 . 1 1 47 47 GLN HB3 H 1 2.200 0.03 . 2 . . . . 506 . . . 6236 1 636 . 1 1 47 47 GLN CG C 13 33.900 0.12 . 1 . . . . 506 . . . 6236 1 637 . 1 1 47 47 GLN HG3 H 1 2.570 0.03 . 9 . . . . 506 . . . 6236 1 638 . 1 1 47 47 GLN HG2 H 1 2.440 0.03 . 9 . . . . 506 . . . 6236 1 639 . 1 1 47 47 GLN NE2 N 15 111.800 0.15 . 9 . . . . 506 . . . 6236 1 640 . 1 1 47 47 GLN HE21 H 1 7.520 0.03 . 9 . . . . 506 . . . 6236 1 641 . 1 1 47 47 GLN HE22 H 1 6.920 0.03 . 9 . . . . 506 . . . 6236 1 642 . 1 1 47 47 GLN C C 13 177.280 0.12 . 1 . . . . 506 . . . 6236 1 643 . 1 1 48 48 HIS N N 15 119.800 0.15 . 1 . . . . 507 . . . 6236 1 644 . 1 1 48 48 HIS H H 1 8.570 0.03 . 1 . . . . 507 . . . 6236 1 645 . 1 1 48 48 HIS CA C 13 60.200 0.12 . 1 . . . . 507 . . . 6236 1 646 . 1 1 48 48 HIS HA H 1 4.310 0.03 . 1 . . . . 507 . . . 6236 1 647 . 1 1 48 48 HIS CB C 13 30.100 0.12 . 1 . . . . 507 . . . 6236 1 648 . 1 1 48 48 HIS HB2 H 1 3.330 0.03 . 1 . . . . 507 . . . 6236 1 649 . 1 1 48 48 HIS HB3 H 1 3.330 0.03 . 1 . . . . 507 . . . 6236 1 650 . 1 1 48 48 HIS CD2 C 13 119.600 0.12 . 9 . . . . 507 . . . 6236 1 651 . 1 1 48 48 HIS HD2 H 1 7.160 0.03 . 9 . . . . 507 . . . 6236 1 652 . 1 1 48 48 HIS CE1 C 13 137.500 0.12 . 9 . . . . 507 . . . 6236 1 653 . 1 1 48 48 HIS HE1 H 1 7.950 0.03 . 9 . . . . 507 . . . 6236 1 654 . 1 1 48 48 HIS C C 13 178.470 0.12 . 1 . . . . 507 . . . 6236 1 655 . 1 1 49 49 THR N N 15 116.900 0.15 . 1 . . . . 508 . . . 6236 1 656 . 1 1 49 49 THR H H 1 8.580 0.03 . 1 . . . . 508 . . . 6236 1 657 . 1 1 49 49 THR CA C 13 67.000 0.12 . 1 . . . . 508 . . . 6236 1 658 . 1 1 49 49 THR HA H 1 3.890 0.03 . 1 . . . . 508 . . . 6236 1 659 . 1 1 49 49 THR CB C 13 68.400 0.12 . 1 . . . . 508 . . . 6236 1 660 . 1 1 49 49 THR HB H 1 4.530 0.03 . 9 . . . . 508 . . . 6236 1 661 . 1 1 49 49 THR CG2 C 13 21.400 0.12 . 9 . . . . 508 . . . 6236 1 662 . 1 1 49 49 THR HG21 H 1 1.260 0.03 . 9 . . . . 508 . . . 6236 1 663 . 1 1 49 49 THR HG22 H 1 1.260 0.03 . 9 . . . . 508 . . . 6236 1 664 . 1 1 49 49 THR HG23 H 1 1.260 0.03 . 9 . . . . 508 . . . 6236 1 665 . 1 1 49 49 THR C C 13 177.420 0.12 . 1 . . . . 508 . . . 6236 1 666 . 1 1 50 50 LEU N N 15 121.800 0.15 . 1 . . . . 509 . . . 6236 1 667 . 1 1 50 50 LEU H H 1 8.390 0.03 . 1 . . . . 509 . . . 6236 1 668 . 1 1 50 50 LEU CA C 13 58.100 0.12 . 1 . . . . 509 . . . 6236 1 669 . 1 1 50 50 LEU HA H 1 4.140 0.03 . 1 . . . . 509 . . . 6236 1 670 . 1 1 50 50 LEU CB C 13 41.900 0.12 . 1 . . . . 509 . . . 6236 1 671 . 1 1 50 50 LEU HB2 H 1 1.910 0.03 . 2 . . . . 509 . . . 6236 1 672 . 1 1 50 50 LEU HB3 H 1 1.630 0.03 . 2 . . . . 509 . . . 6236 1 673 . 1 1 50 50 LEU CG C 13 27.100 0.12 . 1 . . . . 509 . . . 6236 1 674 . 1 1 50 50 LEU HG H 1 1.770 0.03 . 9 . . . . 509 . . . 6236 1 675 . 1 1 50 50 LEU CD1 C 13 25.200 0.12 . 9 . . . . 509 . . . 6236 1 676 . 1 1 50 50 LEU HD11 H 1 0.890 0.03 . 9 . . . . 509 . . . 6236 1 677 . 1 1 50 50 LEU HD12 H 1 0.890 0.03 . 9 . . . . 509 . . . 6236 1 678 . 1 1 50 50 LEU HD13 H 1 0.890 0.03 . 9 . . . . 509 . . . 6236 1 679 . 1 1 50 50 LEU CD2 C 13 22.900 0.12 . 9 . . . . 509 . . . 6236 1 680 . 1 1 50 50 LEU HD21 H 1 0.890 0.03 . 9 . . . . 509 . . . 6236 1 681 . 1 1 50 50 LEU HD22 H 1 0.890 0.03 . 9 . . . . 509 . . . 6236 1 682 . 1 1 50 50 LEU HD23 H 1 0.890 0.03 . 9 . . . . 509 . . . 6236 1 683 . 1 1 50 50 LEU C C 13 176.850 0.12 . 1 . . . . 509 . . . 6236 1 684 . 1 1 51 51 LYS N N 15 120.600 0.15 . 1 . . . . 510 . . . 6236 1 685 . 1 1 51 51 LYS H H 1 8.560 0.03 . 1 . . . . 510 . . . 6236 1 686 . 1 1 51 51 LYS CA C 13 59.200 0.12 . 1 . . . . 510 . . . 6236 1 687 . 1 1 51 51 LYS HA H 1 4.070 0.03 . 1 . . . . 510 . . . 6236 1 688 . 1 1 51 51 LYS CB C 13 32.100 0.12 . 1 . . . . 510 . . . 6236 1 689 . 1 1 51 51 LYS HB2 H 1 1.850 0.03 . 2 . . . . 510 . . . 6236 1 690 . 1 1 51 51 LYS HB3 H 1 1.960 0.03 . 2 . . . . 510 . . . 6236 1 691 . 1 1 51 51 LYS CG C 13 24.800 0.12 . 1 . . . . 510 . . . 6236 1 692 . 1 1 51 51 LYS HG3 H 1 1.440 0.03 . 9 . . . . 510 . . . 6236 1 693 . 1 1 51 51 LYS HG2 H 1 1.550 0.03 . 9 . . . . 510 . . . 6236 1 694 . 1 1 51 51 LYS CD C 13 29.000 0.12 . 1 . . . . 510 . . . 6236 1 695 . 1 1 51 51 LYS HD3 H 1 1.700 0.03 . 9 . . . . 510 . . . 6236 1 696 . 1 1 51 51 LYS HD2 H 1 1.700 0.03 . 9 . . . . 510 . . . 6236 1 697 . 1 1 51 51 LYS CE C 13 41.900 0.12 . 9 . . . . 510 . . . 6236 1 698 . 1 1 51 51 LYS HE3 H 1 2.980 0.03 . 9 . . . . 510 . . . 6236 1 699 . 1 1 51 51 LYS HE2 H 1 2.980 0.03 . 9 . . . . 510 . . . 6236 1 700 . 1 1 51 51 LYS C C 13 178.940 0.12 . 1 . . . . 510 . . . 6236 1 701 . 1 1 52 52 HIS N N 15 119.300 0.15 . 1 . . . . 511 . . . 6236 1 702 . 1 1 52 52 HIS H H 1 8.320 0.03 . 1 . . . . 511 . . . 6236 1 703 . 1 1 52 52 HIS CA C 13 59.600 0.12 . 1 . . . . 511 . . . 6236 1 704 . 1 1 52 52 HIS HA H 1 4.400 0.03 . 1 . . . . 511 . . . 6236 1 705 . 1 1 52 52 HIS CB C 13 29.100 0.12 . 1 . . . . 511 . . . 6236 1 706 . 1 1 52 52 HIS HB2 H 1 2.960 0.03 . 2 . . . . 511 . . . 6236 1 707 . 1 1 52 52 HIS HB3 H 1 3.200 0.03 . 2 . . . . 511 . . . 6236 1 708 . 1 1 52 52 HIS CD2 C 13 119.600 0.12 . 9 . . . . 511 . . . 6236 1 709 . 1 1 52 52 HIS HD2 H 1 7.070 0.03 . 9 . . . . 511 . . . 6236 1 710 . 1 1 52 52 HIS CE1 C 13 137.500 0.12 . 9 . . . . 511 . . . 6236 1 711 . 1 1 52 52 HIS HE1 H 1 7.980 0.03 . 9 . . . . 511 . . . 6236 1 712 . 1 1 52 52 HIS C C 13 179.500 0.12 . 1 . . . . 511 . . . 6236 1 713 . 1 1 53 53 PHE N N 15 119.400 0.15 . 1 . . . . 512 . . . 6236 1 714 . 1 1 53 53 PHE H H 1 8.100 0.03 . 1 . . . . 512 . . . 6236 1 715 . 1 1 53 53 PHE CA C 13 61.300 0.12 . 1 . . . . 512 . . . 6236 1 716 . 1 1 53 53 PHE HA H 1 4.090 0.03 . 1 . . . . 512 . . . 6236 1 717 . 1 1 53 53 PHE CB C 13 39.100 0.12 . 1 . . . . 512 . . . 6236 1 718 . 1 1 53 53 PHE HB2 H 1 3.380 0.03 . 2 . . . . 512 . . . 6236 1 719 . 1 1 53 53 PHE HB3 H 1 3.170 0.03 . 2 . . . . 512 . . . 6236 1 720 . 1 1 53 53 PHE CD1 C 13 131.400 0.12 . 9 . . . . 512 . . . 6236 1 721 . 1 1 53 53 PHE HD1 H 1 7.200 0.03 . 9 . . . . 512 . . . 6236 1 722 . 1 1 53 53 PHE CE1 C 13 131.200 0.12 . 9 . . . . 512 . . . 6236 1 723 . 1 1 53 53 PHE HE1 H 1 7.450 0.03 . 9 . . . . 512 . . . 6236 1 724 . 1 1 53 53 PHE CZ C 13 129.300 0.12 . 9 . . . . 512 . . . 6236 1 725 . 1 1 53 53 PHE HZ H 1 7.210 0.03 . 9 . . . . 512 . . . 6236 1 726 . 1 1 53 53 PHE CE2 C 13 131.200 0.12 . 9 . . . . 512 . . . 6236 1 727 . 1 1 53 53 PHE HE2 H 1 7.450 0.03 . 9 . . . . 512 . . . 6236 1 728 . 1 1 53 53 PHE CD2 C 13 131.400 0.12 . 9 . . . . 512 . . . 6236 1 729 . 1 1 53 53 PHE HD2 H 1 7.200 0.03 . 9 . . . . 512 . . . 6236 1 730 . 1 1 53 53 PHE C C 13 176.770 0.12 . 1 . . . . 512 . . . 6236 1 731 . 1 1 54 54 GLU N N 15 117.600 0.15 . 1 . . . . 513 . . . 6236 1 732 . 1 1 54 54 GLU H H 1 8.470 0.03 . 1 . . . . 513 . . . 6236 1 733 . 1 1 54 54 GLU CA C 13 59.000 0.12 . 1 . . . . 513 . . . 6236 1 734 . 1 1 54 54 GLU HA H 1 3.700 0.03 . 1 . . . . 513 . . . 6236 1 735 . 1 1 54 54 GLU CB C 13 29.200 0.12 . 1 . . . . 513 . . . 6236 1 736 . 1 1 54 54 GLU HB2 H 1 2.060 0.03 . 2 . . . . 513 . . . 6236 1 737 . 1 1 54 54 GLU HB3 H 1 2.150 0.03 . 2 . . . . 513 . . . 6236 1 738 . 1 1 54 54 GLU CG C 13 36.100 0.12 . 1 . . . . 513 . . . 6236 1 739 . 1 1 54 54 GLU HG3 H 1 2.290 0.03 . 9 . . . . 513 . . . 6236 1 740 . 1 1 54 54 GLU HG2 H 1 2.420 0.03 . 9 . . . . 513 . . . 6236 1 741 . 1 1 54 54 GLU C C 13 176.260 0.12 . 1 . . . . 513 . . . 6236 1 742 . 1 1 55 55 HIS N N 15 118.300 0.15 . 1 . . . . 514 . . . 6236 1 743 . 1 1 55 55 HIS H H 1 7.820 0.03 . 1 . . . . 514 . . . 6236 1 744 . 1 1 55 55 HIS CA C 13 59.300 0.12 . 1 . . . . 514 . . . 6236 1 745 . 1 1 55 55 HIS HA H 1 4.320 0.03 . 1 . . . . 514 . . . 6236 1 746 . 1 1 55 55 HIS CB C 13 28.900 0.12 . 1 . . . . 514 . . . 6236 1 747 . 1 1 55 55 HIS HB2 H 1 3.390 0.03 . 2 . . . . 514 . . . 6236 1 748 . 1 1 55 55 HIS HB3 H 1 3.230 0.03 . 2 . . . . 514 . . . 6236 1 749 . 1 1 55 55 HIS CD2 C 13 119.800 0.12 . 9 . . . . 514 . . . 6236 1 750 . 1 1 55 55 HIS HD2 H 1 6.980 0.03 . 9 . . . . 514 . . . 6236 1 751 . 1 1 55 55 HIS CE1 C 13 137.400 0.12 . 9 . . . . 514 . . . 6236 1 752 . 1 1 55 55 HIS HE1 H 1 8.150 0.03 . 9 . . . . 514 . . . 6236 1 753 . 1 1 55 55 HIS C C 13 178.670 0.12 . 1 . . . . 514 . . . 6236 1 754 . 1 1 56 56 VAL N N 15 119.100 0.15 . 1 . . . . 515 . . . 6236 1 755 . 1 1 56 56 VAL H H 1 8.000 0.03 . 1 . . . . 515 . . . 6236 1 756 . 1 1 56 56 VAL CA C 13 66.300 0.12 . 1 . . . . 515 . . . 6236 1 757 . 1 1 56 56 VAL HA H 1 3.340 0.03 . 1 . . . . 515 . . . 6236 1 758 . 1 1 56 56 VAL CB C 13 31.100 0.12 . 1 . . . . 515 . . . 6236 1 759 . 1 1 56 56 VAL HB H 1 1.820 0.03 . 9 . . . . 515 . . . 6236 1 760 . 1 1 56 56 VAL CG2 C 13 21.500 0.12 . 9 . . . . 515 . . . 6236 1 761 . 1 1 56 56 VAL HG21 H 1 0.790 0.03 . 9 . . . . 515 . . . 6236 1 762 . 1 1 56 56 VAL HG22 H 1 0.790 0.03 . 9 . . . . 515 . . . 6236 1 763 . 1 1 56 56 VAL HG23 H 1 0.790 0.03 . 9 . . . . 515 . . . 6236 1 764 . 1 1 56 56 VAL CG1 C 13 21.800 0.12 . 9 . . . . 515 . . . 6236 1 765 . 1 1 56 56 VAL HG11 H 1 0.760 0.03 . 9 . . . . 515 . . . 6236 1 766 . 1 1 56 56 VAL HG12 H 1 0.760 0.03 . 9 . . . . 515 . . . 6236 1 767 . 1 1 56 56 VAL HG13 H 1 0.760 0.03 . 9 . . . . 515 . . . 6236 1 768 . 1 1 56 56 VAL C C 13 176.860 0.12 . 1 . . . . 515 . . . 6236 1 769 . 1 1 57 57 ARG N N 15 117.900 0.15 . 1 . . . . 516 . . . 6236 1 770 . 1 1 57 57 ARG H H 1 8.200 0.03 . 1 . . . . 516 . . . 6236 1 771 . 1 1 57 57 ARG CA C 13 59.400 0.12 . 1 . . . . 516 . . . 6236 1 772 . 1 1 57 57 ARG HA H 1 3.330 0.03 . 1 . . . . 516 . . . 6236 1 773 . 1 1 57 57 ARG CB C 13 29.900 0.12 . 1 . . . . 516 . . . 6236 1 774 . 1 1 57 57 ARG HB2 H 1 1.190 0.03 . 2 . . . . 516 . . . 6236 1 775 . 1 1 57 57 ARG HB3 H 1 1.540 0.03 . 2 . . . . 516 . . . 6236 1 776 . 1 1 57 57 ARG CG C 13 27.000 0.12 . 1 . . . . 516 . . . 6236 1 777 . 1 1 57 57 ARG HG3 H 1 1.290 0.03 . 9 . . . . 516 . . . 6236 1 778 . 1 1 57 57 ARG HG2 H 1 1.200 0.03 . 9 . . . . 516 . . . 6236 1 779 . 1 1 57 57 ARG CD C 13 43.700 0.12 . 1 . . . . 516 . . . 6236 1 780 . 1 1 57 57 ARG HD3 H 1 3.010 0.03 . 9 . . . . 516 . . . 6236 1 781 . 1 1 57 57 ARG HD2 H 1 2.810 0.03 . 9 . . . . 516 . . . 6236 1 782 . 1 1 57 57 ARG C C 13 177.910 0.12 . 1 . . . . 516 . . . 6236 1 783 . 1 1 58 58 MET N N 15 114.700 0.15 . 1 . . . . 517 . . . 6236 1 784 . 1 1 58 58 MET H H 1 7.350 0.03 . 1 . . . . 517 . . . 6236 1 785 . 1 1 58 58 MET CA C 13 57.600 0.12 . 1 . . . . 517 . . . 6236 1 786 . 1 1 58 58 MET HA H 1 4.130 0.03 . 1 . . . . 517 . . . 6236 1 787 . 1 1 58 58 MET CB C 13 32.900 0.12 . 1 . . . . 517 . . . 6236 1 788 . 1 1 58 58 MET HB2 H 1 2.070 0.03 . 2 . . . . 517 . . . 6236 1 789 . 1 1 58 58 MET HB3 H 1 2.120 0.03 . 2 . . . . 517 . . . 6236 1 790 . 1 1 58 58 MET CG C 13 31.800 0.12 . 1 . . . . 517 . . . 6236 1 791 . 1 1 58 58 MET HG3 H 1 2.660 0.03 . 9 . . . . 517 . . . 6236 1 792 . 1 1 58 58 MET HG2 H 1 2.500 0.03 . 9 . . . . 517 . . . 6236 1 793 . 1 1 58 58 MET CE C 13 16.600 0.12 . 9 . . . . 517 . . . 6236 1 794 . 1 1 58 58 MET HE1 H 1 2.030 0.03 . 9 . . . . 517 . . . 6236 1 795 . 1 1 58 58 MET HE2 H 1 2.030 0.03 . 9 . . . . 517 . . . 6236 1 796 . 1 1 58 58 MET HE3 H 1 2.030 0.03 . 9 . . . . 517 . . . 6236 1 797 . 1 1 58 58 MET C C 13 176.840 0.12 . 1 . . . . 517 . . . 6236 1 798 . 1 1 59 59 VAL N N 15 113.500 0.15 . 1 . . . . 518 . . . 6236 1 799 . 1 1 59 59 VAL H H 1 7.500 0.03 . 1 . . . . 518 . . . 6236 1 800 . 1 1 59 59 VAL CA C 13 63.000 0.12 . 1 . . . . 518 . . . 6236 1 801 . 1 1 59 59 VAL HA H 1 4.140 0.03 . 1 . . . . 518 . . . 6236 1 802 . 1 1 59 59 VAL CB C 13 32.800 0.12 . 1 . . . . 518 . . . 6236 1 803 . 1 1 59 59 VAL HB H 1 2.060 0.03 . 9 . . . . 518 . . . 6236 1 804 . 1 1 59 59 VAL CG2 C 13 19.500 0.12 . 9 . . . . 518 . . . 6236 1 805 . 1 1 59 59 VAL HG21 H 1 0.720 0.03 . 9 . . . . 518 . . . 6236 1 806 . 1 1 59 59 VAL HG22 H 1 0.720 0.03 . 9 . . . . 518 . . . 6236 1 807 . 1 1 59 59 VAL HG23 H 1 0.720 0.03 . 9 . . . . 518 . . . 6236 1 808 . 1 1 59 59 VAL CG1 C 13 21.100 0.12 . 9 . . . . 518 . . . 6236 1 809 . 1 1 59 59 VAL HG11 H 1 0.810 0.03 . 9 . . . . 518 . . . 6236 1 810 . 1 1 59 59 VAL HG12 H 1 0.810 0.03 . 9 . . . . 518 . . . 6236 1 811 . 1 1 59 59 VAL HG13 H 1 0.810 0.03 . 9 . . . . 518 . . . 6236 1 812 . 1 1 59 59 VAL C C 13 177.660 0.12 . 1 . . . . 518 . . . 6236 1 813 . 1 1 60 60 ASP N N 15 119.600 0.15 . 1 . . . . 519 . . . 6236 1 814 . 1 1 60 60 ASP H H 1 8.980 0.03 . 1 . . . . 519 . . . 6236 1 815 . 1 1 60 60 ASP CA C 13 51.600 0.12 . 1 . . . . 519 . . . 6236 1 816 . 1 1 60 60 ASP HA H 1 4.880 0.03 . 1 . . . . 519 . . . 6236 1 817 . 1 1 60 60 ASP CB C 13 41.100 0.12 . 1 . . . . 519 . . . 6236 1 818 . 1 1 60 60 ASP HB2 H 1 2.430 0.03 . 2 . . . . 519 . . . 6236 1 819 . 1 1 60 60 ASP HB3 H 1 2.900 0.03 . 2 . . . . 519 . . . 6236 1 820 . 1 1 60 60 ASP C C 13 176.540 0.12 . 1 . . . . 519 . . . 6236 1 821 . 1 1 61 61 PRO CA C 13 64.900 0.12 . 1 . . . . 520 . . . 6236 1 822 . 1 1 61 61 PRO HA H 1 4.200 0.03 . 1 . . . . 520 . . . 6236 1 823 . 1 1 61 61 PRO CB C 13 31.900 0.12 . 1 . . . . 520 . . . 6236 1 824 . 1 1 61 61 PRO HB2 H 1 1.990 0.03 . 2 . . . . 520 . . . 6236 1 825 . 1 1 61 61 PRO HB3 H 1 2.460 0.03 . 2 . . . . 520 . . . 6236 1 826 . 1 1 61 61 PRO CG C 13 27.100 0.12 . 1 . . . . 520 . . . 6236 1 827 . 1 1 61 61 PRO HG3 H 1 2.090 0.03 . 9 . . . . 520 . . . 6236 1 828 . 1 1 61 61 PRO HG2 H 1 2.090 0.03 . 9 . . . . 520 . . . 6236 1 829 . 1 1 61 61 PRO CD C 13 49.900 0.12 . 1 . . . . 520 . . . 6236 1 830 . 1 1 61 61 PRO HD3 H 1 3.860 0.03 . 9 . . . . 520 . . . 6236 1 831 . 1 1 61 61 PRO HD2 H 1 3.400 0.03 . 9 . . . . 520 . . . 6236 1 832 . 1 1 62 62 LYS N N 15 118.930 0.15 . 1 . . . . 521 . . . 6236 1 833 . 1 1 62 62 LYS H H 1 8.230 0.03 . 1 . . . . 521 . . . 6236 1 834 . 1 1 62 62 LYS CA C 13 59.300 0.12 . 1 . . . . 521 . . . 6236 1 835 . 1 1 62 62 LYS HA H 1 4.140 0.03 . 1 . . . . 521 . . . 6236 1 836 . 1 1 62 62 LYS CB C 13 31.800 0.12 . 1 . . . . 521 . . . 6236 1 837 . 1 1 62 62 LYS HB2 H 1 1.850 0.03 . 2 . . . . 521 . . . 6236 1 838 . 1 1 62 62 LYS HB3 H 1 1.960 0.03 . 2 . . . . 521 . . . 6236 1 839 . 1 1 62 62 LYS CG C 13 25.000 0.12 . 1 . . . . 521 . . . 6236 1 840 . 1 1 62 62 LYS HG3 H 1 1.550 0.03 . 9 . . . . 521 . . . 6236 1 841 . 1 1 62 62 LYS HG2 H 1 1.400 0.03 . 9 . . . . 521 . . . 6236 1 842 . 1 1 62 62 LYS CD C 13 29.000 0.12 . 1 . . . . 521 . . . 6236 1 843 . 1 1 62 62 LYS HD3 H 1 1.740 0.03 . 9 . . . . 521 . . . 6236 1 844 . 1 1 62 62 LYS HD2 H 1 1.740 0.03 . 9 . . . . 521 . . . 6236 1 845 . 1 1 62 62 LYS CE C 13 42.100 0.12 . 9 . . . . 521 . . . 6236 1 846 . 1 1 62 62 LYS HE3 H 1 3.022 0.03 . 9 . . . . 521 . . . 6236 1 847 . 1 1 62 62 LYS HE2 H 1 3.022 0.03 . 9 . . . . 521 . . . 6236 1 848 . 1 1 62 62 LYS C C 13 179.520 0.12 . 1 . . . . 521 . . . 6236 1 849 . 1 1 63 63 LYS N N 15 122.200 0.15 . 1 . . . . 522 . . . 6236 1 850 . 1 1 63 63 LYS H H 1 7.500 0.03 . 1 . . . . 522 . . . 6236 1 851 . 1 1 63 63 LYS CA C 13 58.000 0.12 . 1 . . . . 522 . . . 6236 1 852 . 1 1 63 63 LYS HA H 1 4.110 0.03 . 1 . . . . 522 . . . 6236 1 853 . 1 1 63 63 LYS CB C 13 31.820 0.12 . 1 . . . . 522 . . . 6236 1 854 . 1 1 63 63 LYS HB2 H 1 1.770 0.03 . 2 . . . . 522 . . . 6236 1 855 . 1 1 63 63 LYS HB3 H 1 1.950 0.03 . 2 . . . . 522 . . . 6236 1 856 . 1 1 63 63 LYS CG C 13 24.800 0.12 . 1 . . . . 522 . . . 6236 1 857 . 1 1 63 63 LYS HG3 H 1 1.410 0.03 . 9 . . . . 522 . . . 6236 1 858 . 1 1 63 63 LYS HG2 H 1 1.410 0.03 . 9 . . . . 522 . . . 6236 1 859 . 1 1 63 63 LYS CD C 13 28.800 0.12 . 1 . . . . 522 . . . 6236 1 860 . 1 1 63 63 LYS HD3 H 1 1.730 0.03 . 9 . . . . 522 . . . 6236 1 861 . 1 1 63 63 LYS HD2 H 1 1.730 0.03 . 9 . . . . 522 . . . 6236 1 862 . 1 1 63 63 LYS CE C 13 42.200 0.12 . 9 . . . . 522 . . . 6236 1 863 . 1 1 63 63 LYS HE3 H 1 2.990 0.03 . 9 . . . . 522 . . . 6236 1 864 . 1 1 63 63 LYS HE2 H 1 2.990 0.03 . 9 . . . . 522 . . . 6236 1 865 . 1 1 63 63 LYS C C 13 179.060 0.12 . 1 . . . . 522 . . . 6236 1 866 . 1 1 64 64 ALA N N 15 120.500 0.15 . 1 . . . . 523 . . . 6236 1 867 . 1 1 64 64 ALA H H 1 8.120 0.03 . 1 . . . . 523 . . . 6236 1 868 . 1 1 64 64 ALA CA C 13 54.800 0.12 . 1 . . . . 523 . . . 6236 1 869 . 1 1 64 64 ALA HA H 1 3.930 0.03 . 1 . . . . 523 . . . 6236 1 870 . 1 1 64 64 ALA CB C 13 17.600 0.12 . 1 . . . . 523 . . . 6236 1 871 . 1 1 64 64 ALA HB1 H 1 1.180 0.03 . 1 . . . . 523 . . . 6236 1 872 . 1 1 64 64 ALA HB2 H 1 1.180 0.03 . 1 . . . . 523 . . . 6236 1 873 . 1 1 64 64 ALA HB3 H 1 1.180 0.03 . 1 . . . . 523 . . . 6236 1 874 . 1 1 64 64 ALA C C 13 179.050 0.12 . 1 . . . . 523 . . . 6236 1 875 . 1 1 65 65 ALA N N 15 117.700 0.15 . 1 . . . . 524 . . . 6236 1 876 . 1 1 65 65 ALA H H 1 7.680 0.03 . 1 . . . . 524 . . . 6236 1 877 . 1 1 65 65 ALA CA C 13 54.800 0.12 . 1 . . . . 524 . . . 6236 1 878 . 1 1 65 65 ALA HA H 1 4.230 0.03 . 1 . . . . 524 . . . 6236 1 879 . 1 1 65 65 ALA CB C 13 17.700 0.12 . 1 . . . . 524 . . . 6236 1 880 . 1 1 65 65 ALA HB1 H 1 1.580 0.03 . 1 . . . . 524 . . . 6236 1 881 . 1 1 65 65 ALA HB2 H 1 1.580 0.03 . 1 . . . . 524 . . . 6236 1 882 . 1 1 65 65 ALA HB3 H 1 1.580 0.03 . 1 . . . . 524 . . . 6236 1 883 . 1 1 65 65 ALA C C 13 178.610 0.12 . 1 . . . . 524 . . . 6236 1 884 . 1 1 66 66 GLN N N 15 117.100 0.15 . 1 . . . . 525 . . . 6236 1 885 . 1 1 66 66 GLN H H 1 7.610 0.03 . 1 . . . . 525 . . . 6236 1 886 . 1 1 66 66 GLN CA C 13 58.300 0.12 . 1 . . . . 525 . . . 6236 1 887 . 1 1 66 66 GLN HA H 1 4.260 0.03 . 1 . . . . 525 . . . 6236 1 888 . 1 1 66 66 GLN CB C 13 29.000 0.12 . 1 . . . . 525 . . . 6236 1 889 . 1 1 66 66 GLN HB2 H 1 2.400 0.03 . 2 . . . . 525 . . . 6236 1 890 . 1 1 66 66 GLN HB3 H 1 2.310 0.03 . 2 . . . . 525 . . . 6236 1 891 . 1 1 66 66 GLN CG C 13 33.900 0.12 . 1 . . . . 525 . . . 6236 1 892 . 1 1 66 66 GLN HG3 H 1 2.460 0.03 . 9 . . . . 525 . . . 6236 1 893 . 1 1 66 66 GLN HG2 H 1 2.650 0.03 . 9 . . . . 525 . . . 6236 1 894 . 1 1 66 66 GLN NE2 N 15 111.700 0.15 . 9 . . . . 525 . . . 6236 1 895 . 1 1 66 66 GLN HE21 H 1 7.450 0.03 . 9 . . . . 525 . . . 6236 1 896 . 1 1 66 66 GLN HE22 H 1 6.870 0.03 . 9 . . . . 525 . . . 6236 1 897 . 1 1 66 66 GLN C C 13 180.240 0.12 . 1 . . . . 525 . . . 6236 1 898 . 1 1 67 67 ILE N N 15 111.000 0.15 . 1 . . . . 526 . . . 6236 1 899 . 1 1 67 67 ILE H H 1 7.920 0.03 . 1 . . . . 526 . . . 6236 1 900 . 1 1 67 67 ILE CA C 13 62.000 0.12 . 1 . . . . 526 . . . 6236 1 901 . 1 1 67 67 ILE HA H 1 4.710 0.03 . 1 . . . . 526 . . . 6236 1 902 . 1 1 67 67 ILE CB C 13 38.900 0.12 . 1 . . . . 526 . . . 6236 1 903 . 1 1 67 67 ILE HB H 1 2.390 0.03 . 9 . . . . 526 . . . 6236 1 904 . 1 1 67 67 ILE CG1 C 13 26.300 0.12 . 9 . . . . 526 . . . 6236 1 905 . 1 1 67 67 ILE HG12 H 1 1.540 0.03 . 9 . . . . 526 . . . 6236 1 906 . 1 1 67 67 ILE HG13 H 1 1.740 0.03 . 9 . . . . 526 . . . 6236 1 907 . 1 1 67 67 ILE CD1 C 13 14.000 0.12 . 9 . . . . 526 . . . 6236 1 908 . 1 1 67 67 ILE HD11 H 1 1.030 0.03 . 9 . . . . 526 . . . 6236 1 909 . 1 1 67 67 ILE HD12 H 1 1.030 0.03 . 9 . . . . 526 . . . 6236 1 910 . 1 1 67 67 ILE HD13 H 1 1.030 0.03 . 9 . . . . 526 . . . 6236 1 911 . 1 1 67 67 ILE CG2 C 13 16.900 0.12 . 9 . . . . 526 . . . 6236 1 912 . 1 1 67 67 ILE HG21 H 1 1.040 0.03 . 9 . . . . 526 . . . 6236 1 913 . 1 1 67 67 ILE HG22 H 1 1.040 0.03 . 9 . . . . 526 . . . 6236 1 914 . 1 1 67 67 ILE HG23 H 1 1.040 0.03 . 9 . . . . 526 . . . 6236 1 915 . 1 1 67 67 ILE C C 13 178.460 0.12 . 1 . . . . 526 . . . 6236 1 916 . 1 1 68 68 ARG N N 15 124.200 0.15 . 1 . . . . 527 . . . 6236 1 917 . 1 1 68 68 ARG H H 1 7.770 0.03 . 1 . . . . 527 . . . 6236 1 918 . 1 1 68 68 ARG CA C 13 60.700 0.12 . 1 . . . . 527 . . . 6236 1 919 . 1 1 68 68 ARG HA H 1 3.530 0.03 . 1 . . . . 527 . . . 6236 1 920 . 1 1 68 68 ARG CB C 13 29.800 0.12 . 1 . . . . 527 . . . 6236 1 921 . 1 1 68 68 ARG HB2 H 1 1.880 0.03 . 2 . . . . 527 . . . 6236 1 922 . 1 1 68 68 ARG HB3 H 1 2.270 0.03 . 2 . . . . 527 . . . 6236 1 923 . 1 1 68 68 ARG CG C 13 27.500 0.12 . 1 . . . . 527 . . . 6236 1 924 . 1 1 68 68 ARG HG3 H 1 1.520 0.03 . 9 . . . . 527 . . . 6236 1 925 . 1 1 68 68 ARG HG2 H 1 1.370 0.03 . 9 . . . . 527 . . . 6236 1 926 . 1 1 68 68 ARG CD C 13 43.200 0.12 . 1 . . . . 527 . . . 6236 1 927 . 1 1 68 68 ARG HD3 H 1 3.290 0.03 . 9 . . . . 527 . . . 6236 1 928 . 1 1 68 68 ARG HD2 H 1 3.290 0.03 . 9 . . . . 527 . . . 6236 1 929 . 1 1 68 68 ARG C C 13 176.640 0.12 . 1 . . . . 527 . . . 6236 1 930 . 1 1 69 69 SER N N 15 112.600 0.15 . 1 . . . . 528 . . . 6236 1 931 . 1 1 69 69 SER H H 1 8.880 0.03 . 1 . . . . 528 . . . 6236 1 932 . 1 1 69 69 SER CA C 13 62.000 0.12 . 1 . . . . 528 . . . 6236 1 933 . 1 1 69 69 SER HA H 1 4.170 0.03 . 1 . . . . 528 . . . 6236 1 934 . 1 1 69 69 SER CB C 13 61.800 0.12 . 1 . . . . 528 . . . 6236 1 935 . 1 1 69 69 SER HB2 H 1 3.960 0.03 . 1 . . . . 528 . . . 6236 1 936 . 1 1 69 69 SER HB3 H 1 3.960 0.03 . 1 . . . . 528 . . . 6236 1 937 . 1 1 69 69 SER C C 13 177.270 0.12 . 1 . . . . 528 . . . 6236 1 938 . 1 1 70 70 GLN N N 15 123.800 0.15 . 1 . . . . 529 . . . 6236 1 939 . 1 1 70 70 GLN H H 1 7.940 0.03 . 1 . . . . 529 . . . 6236 1 940 . 1 1 70 70 GLN CA C 13 59.200 0.12 . 1 . . . . 529 . . . 6236 1 941 . 1 1 70 70 GLN HA H 1 4.180 0.03 . 1 . . . . 529 . . . 6236 1 942 . 1 1 70 70 GLN CB C 13 28.200 0.12 . 1 . . . . 529 . . . 6236 1 943 . 1 1 70 70 GLN HB2 H 1 2.300 0.03 . 1 . . . . 529 . . . 6236 1 944 . 1 1 70 70 GLN HB3 H 1 2.300 0.03 . 1 . . . . 529 . . . 6236 1 945 . 1 1 70 70 GLN CG C 13 34.000 0.12 . 1 . . . . 529 . . . 6236 1 946 . 1 1 70 70 GLN HG3 H 1 2.510 0.03 . 9 . . . . 529 . . . 6236 1 947 . 1 1 70 70 GLN HG2 H 1 2.510 0.03 . 9 . . . . 529 . . . 6236 1 948 . 1 1 70 70 GLN NE2 N 15 111.600 0.15 . 9 . . . . 529 . . . 6236 1 949 . 1 1 70 70 GLN HE21 H 1 7.570 0.03 . 9 . . . . 529 . . . 6236 1 950 . 1 1 70 70 GLN HE22 H 1 6.880 0.03 . 9 . . . . 529 . . . 6236 1 951 . 1 1 70 70 GLN C C 13 177.050 0.12 . 1 . . . . 529 . . . 6236 1 952 . 1 1 71 71 VAL N N 15 123.300 0.15 . 1 . . . . 530 . . . 6236 1 953 . 1 1 71 71 VAL H H 1 8.130 0.03 . 1 . . . . 530 . . . 6236 1 954 . 1 1 71 71 VAL CA C 13 66.600 0.12 . 1 . . . . 530 . . . 6236 1 955 . 1 1 71 71 VAL HA H 1 3.590 0.03 . 1 . . . . 530 . . . 6236 1 956 . 1 1 71 71 VAL CB C 13 31.400 0.12 . 1 . . . . 530 . . . 6236 1 957 . 1 1 71 71 VAL HB H 1 1.830 0.03 . 9 . . . . 530 . . . 6236 1 958 . 1 1 71 71 VAL CG2 C 13 22.400 0.12 . 9 . . . . 530 . . . 6236 1 959 . 1 1 71 71 VAL HG21 H 1 0.960 0.03 . 9 . . . . 530 . . . 6236 1 960 . 1 1 71 71 VAL HG22 H 1 0.960 0.03 . 9 . . . . 530 . . . 6236 1 961 . 1 1 71 71 VAL HG23 H 1 0.960 0.03 . 9 . . . . 530 . . . 6236 1 962 . 1 1 71 71 VAL CG1 C 13 19.700 0.12 . 9 . . . . 530 . . . 6236 1 963 . 1 1 71 71 VAL HG11 H 1 0.530 0.03 . 9 . . . . 530 . . . 6236 1 964 . 1 1 71 71 VAL HG12 H 1 0.530 0.03 . 9 . . . . 530 . . . 6236 1 965 . 1 1 71 71 VAL HG13 H 1 0.530 0.03 . 9 . . . . 530 . . . 6236 1 966 . 1 1 71 71 VAL C C 13 178.940 0.12 . 1 . . . . 530 . . . 6236 1 967 . 1 1 72 72 MET N N 15 116.900 0.15 . 1 . . . . 531 . . . 6236 1 968 . 1 1 72 72 MET H H 1 8.530 0.03 . 1 . . . . 531 . . . 6236 1 969 . 1 1 72 72 MET CA C 13 57.800 0.12 . 1 . . . . 531 . . . 6236 1 970 . 1 1 72 72 MET HA H 1 4.200 0.03 . 1 . . . . 531 . . . 6236 1 971 . 1 1 72 72 MET CB C 13 31.200 0.12 . 1 . . . . 531 . . . 6236 1 972 . 1 1 72 72 MET HB2 H 1 2.060 0.03 . 2 . . . . 531 . . . 6236 1 973 . 1 1 72 72 MET HB3 H 1 2.180 0.03 . 2 . . . . 531 . . . 6236 1 974 . 1 1 72 72 MET CG C 13 32.300 0.12 . 1 . . . . 531 . . . 6236 1 975 . 1 1 72 72 MET HG3 H 1 2.740 0.03 . 9 . . . . 531 . . . 6236 1 976 . 1 1 72 72 MET HG2 H 1 2.520 0.03 . 9 . . . . 531 . . . 6236 1 977 . 1 1 72 72 MET CE C 13 17.100 0.12 . 9 . . . . 531 . . . 6236 1 978 . 1 1 72 72 MET HE1 H 1 1.920 0.03 . 9 . . . . 531 . . . 6236 1 979 . 1 1 72 72 MET HE2 H 1 1.920 0.03 . 9 . . . . 531 . . . 6236 1 980 . 1 1 72 72 MET HE3 H 1 1.920 0.03 . 9 . . . . 531 . . . 6236 1 981 . 1 1 72 72 MET C C 13 177.660 0.12 . 1 . . . . 531 . . . 6236 1 982 . 1 1 73 73 THR N N 15 117.900 0.15 . 1 . . . . 532 . . . 6236 1 983 . 1 1 73 73 THR H H 1 8.350 0.03 . 1 . . . . 532 . . . 6236 1 984 . 1 1 73 73 THR CA C 13 66.900 0.12 . 1 . . . . 532 . . . 6236 1 985 . 1 1 73 73 THR HA H 1 3.960 0.03 . 1 . . . . 532 . . . 6236 1 986 . 1 1 73 73 THR CB C 13 68.600 0.12 . 1 . . . . 532 . . . 6236 1 987 . 1 1 73 73 THR HB H 1 4.360 0.03 . 9 . . . . 532 . . . 6236 1 988 . 1 1 73 73 THR CG2 C 13 21.600 0.12 . 9 . . . . 532 . . . 6236 1 989 . 1 1 73 73 THR HG21 H 1 1.280 0.03 . 9 . . . . 532 . . . 6236 1 990 . 1 1 73 73 THR HG22 H 1 1.280 0.03 . 9 . . . . 532 . . . 6236 1 991 . 1 1 73 73 THR HG23 H 1 1.280 0.03 . 9 . . . . 532 . . . 6236 1 992 . 1 1 73 73 THR C C 13 180.100 0.12 . 1 . . . . 532 . . . 6236 1 993 . 1 1 74 74 HIS N N 15 121.400 0.15 . 1 . . . . 533 . . . 6236 1 994 . 1 1 74 74 HIS H H 1 8.160 0.03 . 1 . . . . 533 . . . 6236 1 995 . 1 1 74 74 HIS CA C 13 59.300 0.12 . 1 . . . . 533 . . . 6236 1 996 . 1 1 74 74 HIS HA H 1 4.360 0.03 . 1 . . . . 533 . . . 6236 1 997 . 1 1 74 74 HIS CB C 13 29.000 0.12 . 1 . . . . 533 . . . 6236 1 998 . 1 1 74 74 HIS HB2 H 1 3.460 0.03 . 2 . . . . 533 . . . 6236 1 999 . 1 1 74 74 HIS HB3 H 1 3.340 0.03 . 2 . . . . 533 . . . 6236 1 1000 . 1 1 74 74 HIS CD2 C 13 120.200 0.12 . 9 . . . . 533 . . . 6236 1 1001 . 1 1 74 74 HIS HD2 H 1 7.140 0.03 . 9 . . . . 533 . . . 6236 1 1002 . 1 1 74 74 HIS CE1 C 13 137.600 0.12 . 9 . . . . 533 . . . 6236 1 1003 . 1 1 74 74 HIS HE1 H 1 8.560 0.03 . 9 . . . . 533 . . . 6236 1 1004 . 1 1 74 74 HIS C C 13 175.060 0.12 . 1 . . . . 533 . . . 6236 1 1005 . 1 1 75 75 LEU N N 15 116.900 0.15 . 1 . . . . 534 . . . 6236 1 1006 . 1 1 75 75 LEU H H 1 8.360 0.03 . 1 . . . . 534 . . . 6236 1 1007 . 1 1 75 75 LEU CA C 13 58.100 0.12 . 1 . . . . 534 . . . 6236 1 1008 . 1 1 75 75 LEU HA H 1 3.950 0.03 . 1 . . . . 534 . . . 6236 1 1009 . 1 1 75 75 LEU CB C 13 41.100 0.12 . 1 . . . . 534 . . . 6236 1 1010 . 1 1 75 75 LEU HB2 H 1 1.520 0.03 . 2 . . . . 534 . . . 6236 1 1011 . 1 1 75 75 LEU HB3 H 1 2.000 0.03 . 2 . . . . 534 . . . 6236 1 1012 . 1 1 75 75 LEU CG C 13 26.900 0.12 . 1 . . . . 534 . . . 6236 1 1013 . 1 1 75 75 LEU HG H 1 2.000 0.03 . 9 . . . . 534 . . . 6236 1 1014 . 1 1 75 75 LEU CD1 C 13 25.700 0.12 . 9 . . . . 534 . . . 6236 1 1015 . 1 1 75 75 LEU HD11 H 1 0.910 0.03 . 9 . . . . 534 . . . 6236 1 1016 . 1 1 75 75 LEU HD12 H 1 0.910 0.03 . 9 . . . . 534 . . . 6236 1 1017 . 1 1 75 75 LEU HD13 H 1 0.910 0.03 . 9 . . . . 534 . . . 6236 1 1018 . 1 1 75 75 LEU CD2 C 13 23.200 0.12 . 9 . . . . 534 . . . 6236 1 1019 . 1 1 75 75 LEU HD21 H 1 0.900 0.03 . 9 . . . . 534 . . . 6236 1 1020 . 1 1 75 75 LEU HD22 H 1 0.900 0.03 . 9 . . . . 534 . . . 6236 1 1021 . 1 1 75 75 LEU HD23 H 1 0.900 0.03 . 9 . . . . 534 . . . 6236 1 1022 . 1 1 75 75 LEU C C 13 177.030 0.12 . 1 . . . . 534 . . . 6236 1 1023 . 1 1 76 76 ARG N N 15 121.472 0.15 . 1 . . . . 535 . . . 6236 1 1024 . 1 1 76 76 ARG H H 1 8.000 0.03 . 1 . . . . 535 . . . 6236 1 1025 . 1 1 76 76 ARG CA C 13 59.400 0.12 . 1 . . . . 535 . . . 6236 1 1026 . 1 1 76 76 ARG HA H 1 4.140 0.03 . 1 . . . . 535 . . . 6236 1 1027 . 1 1 76 76 ARG CB C 13 29.700 0.12 . 1 . . . . 535 . . . 6236 1 1028 . 1 1 76 76 ARG HB2 H 1 2.120 0.03 . 2 . . . . 535 . . . 6236 1 1029 . 1 1 76 76 ARG HB3 H 1 1.990 0.03 . 2 . . . . 535 . . . 6236 1 1030 . 1 1 76 76 ARG CG C 13 27.100 0.12 . 1 . . . . 535 . . . 6236 1 1031 . 1 1 76 76 ARG HG3 H 1 1.770 0.03 . 9 . . . . 535 . . . 6236 1 1032 . 1 1 76 76 ARG HG2 H 1 1.690 0.03 . 9 . . . . 535 . . . 6236 1 1033 . 1 1 76 76 ARG CD C 13 43.200 0.12 . 1 . . . . 535 . . . 6236 1 1034 . 1 1 76 76 ARG HD3 H 1 3.220 0.03 . 9 . . . . 535 . . . 6236 1 1035 . 1 1 76 76 ARG HD2 H 1 3.220 0.03 . 9 . . . . 535 . . . 6236 1 1036 . 1 1 76 76 ARG C C 13 179.140 0.12 . 1 . . . . 535 . . . 6236 1 1037 . 1 1 77 77 VAL N N 15 121.300 0.15 . 1 . . . . 536 . . . 6236 1 1038 . 1 1 77 77 VAL H H 1 8.360 0.03 . 1 . . . . 536 . . . 6236 1 1039 . 1 1 77 77 VAL CA C 13 66.700 0.12 . 1 . . . . 536 . . . 6236 1 1040 . 1 1 77 77 VAL HA H 1 3.670 0.03 . 1 . . . . 536 . . . 6236 1 1041 . 1 1 77 77 VAL CB C 13 31.280 0.12 . 1 . . . . 536 . . . 6236 1 1042 . 1 1 77 77 VAL HB H 1 2.280 0.03 . 9 . . . . 536 . . . 6236 1 1043 . 1 1 77 77 VAL CG2 C 13 23.000 0.12 . 9 . . . . 536 . . . 6236 1 1044 . 1 1 77 77 VAL HG21 H 1 1.100 0.03 . 9 . . . . 536 . . . 6236 1 1045 . 1 1 77 77 VAL HG22 H 1 1.100 0.03 . 9 . . . . 536 . . . 6236 1 1046 . 1 1 77 77 VAL HG23 H 1 1.100 0.03 . 9 . . . . 536 . . . 6236 1 1047 . 1 1 77 77 VAL CG1 C 13 20.900 0.12 . 9 . . . . 536 . . . 6236 1 1048 . 1 1 77 77 VAL HG11 H 1 0.920 0.03 . 9 . . . . 536 . . . 6236 1 1049 . 1 1 77 77 VAL HG12 H 1 0.920 0.03 . 9 . . . . 536 . . . 6236 1 1050 . 1 1 77 77 VAL HG13 H 1 0.920 0.03 . 9 . . . . 536 . . . 6236 1 1051 . 1 1 77 77 VAL C C 13 178.100 0.12 . 1 . . . . 536 . . . 6236 1 1052 . 1 1 78 78 ILE N N 15 119.400 0.15 . 1 . . . . 537 . . . 6236 1 1053 . 1 1 78 78 ILE H H 1 7.680 0.03 . 1 . . . . 537 . . . 6236 1 1054 . 1 1 78 78 ILE CA C 13 65.900 0.12 . 1 . . . . 537 . . . 6236 1 1055 . 1 1 78 78 ILE HA H 1 3.550 0.03 . 1 . . . . 537 . . . 6236 1 1056 . 1 1 78 78 ILE CB C 13 38.600 0.12 . 1 . . . . 537 . . . 6236 1 1057 . 1 1 78 78 ILE HB H 1 1.760 0.03 . 9 . . . . 537 . . . 6236 1 1058 . 1 1 78 78 ILE CG1 C 13 27.800 0.12 . 9 . . . . 537 . . . 6236 1 1059 . 1 1 78 78 ILE HG12 H 1 0.930 0.03 . 9 . . . . 537 . . . 6236 1 1060 . 1 1 78 78 ILE HG13 H 1 1.460 0.03 . 9 . . . . 537 . . . 6236 1 1061 . 1 1 78 78 ILE CD1 C 13 14.200 0.12 . 9 . . . . 537 . . . 6236 1 1062 . 1 1 78 78 ILE HD11 H 1 0.680 0.03 . 9 . . . . 537 . . . 6236 1 1063 . 1 1 78 78 ILE HD12 H 1 0.680 0.03 . 9 . . . . 537 . . . 6236 1 1064 . 1 1 78 78 ILE HD13 H 1 0.680 0.03 . 9 . . . . 537 . . . 6236 1 1065 . 1 1 78 78 ILE CG2 C 13 16.600 0.12 . 9 . . . . 537 . . . 6236 1 1066 . 1 1 78 78 ILE HG21 H 1 0.830 0.03 . 9 . . . . 537 . . . 6236 1 1067 . 1 1 78 78 ILE HG22 H 1 0.830 0.03 . 9 . . . . 537 . . . 6236 1 1068 . 1 1 78 78 ILE HG23 H 1 0.830 0.03 . 9 . . . . 537 . . . 6236 1 1069 . 1 1 78 78 ILE C C 13 178.760 0.12 . 1 . . . . 537 . . . 6236 1 1070 . 1 1 79 79 TYR N N 15 118.500 0.15 . 1 . . . . 538 . . . 6236 1 1071 . 1 1 79 79 TYR H H 1 7.650 0.03 . 1 . . . . 538 . . . 6236 1 1072 . 1 1 79 79 TYR CA C 13 61.200 0.12 . 1 . . . . 538 . . . 6236 1 1073 . 1 1 79 79 TYR HA H 1 4.160 0.03 . 1 . . . . 538 . . . 6236 1 1074 . 1 1 79 79 TYR CB C 13 38.000 0.12 . 1 . . . . 538 . . . 6236 1 1075 . 1 1 79 79 TYR HB2 H 1 3.210 0.03 . 2 . . . . 538 . . . 6236 1 1076 . 1 1 79 79 TYR HB3 H 1 3.180 0.03 . 2 . . . . 538 . . . 6236 1 1077 . 1 1 79 79 TYR CD1 C 13 133.200 0.12 . 9 . . . . 538 . . . 6236 1 1078 . 1 1 79 79 TYR HD1 H 1 7.110 0.03 . 9 . . . . 538 . . . 6236 1 1079 . 1 1 79 79 TYR CE1 C 13 118.100 0.12 . 9 . . . . 538 . . . 6236 1 1080 . 1 1 79 79 TYR HE1 H 1 6.810 0.03 . 9 . . . . 538 . . . 6236 1 1081 . 1 1 79 79 TYR CE2 C 13 118.100 0.12 . 9 . . . . 538 . . . 6236 1 1082 . 1 1 79 79 TYR HE2 H 1 6.810 0.03 . 9 . . . . 538 . . . 6236 1 1083 . 1 1 79 79 TYR CD2 C 13 133.200 0.12 . 9 . . . . 538 . . . 6236 1 1084 . 1 1 79 79 TYR HD2 H 1 7.110 0.03 . 9 . . . . 538 . . . 6236 1 1085 . 1 1 79 79 TYR C C 13 179.120 0.12 . 1 . . . . 538 . . . 6236 1 1086 . 1 1 80 80 GLU N N 15 119.300 0.15 . 1 . . . . 539 . . . 6236 1 1087 . 1 1 80 80 GLU H H 1 8.780 0.03 . 1 . . . . 539 . . . 6236 1 1088 . 1 1 80 80 GLU CA C 13 59.400 0.12 . 1 . . . . 539 . . . 6236 1 1089 . 1 1 80 80 GLU HA H 1 4.000 0.03 . 1 . . . . 539 . . . 6236 1 1090 . 1 1 80 80 GLU CB C 13 29.500 0.12 . 1 . . . . 539 . . . 6236 1 1091 . 1 1 80 80 GLU HB2 H 1 2.150 0.03 . 2 . . . . 539 . . . 6236 1 1092 . 1 1 80 80 GLU HB3 H 1 2.080 0.03 . 2 . . . . 539 . . . 6236 1 1093 . 1 1 80 80 GLU CG C 13 36.700 0.12 . 1 . . . . 539 . . . 6236 1 1094 . 1 1 80 80 GLU HG3 H 1 2.620 0.03 . 9 . . . . 539 . . . 6236 1 1095 . 1 1 80 80 GLU HG2 H 1 2.380 0.03 . 9 . . . . 539 . . . 6236 1 1096 . 1 1 80 80 GLU C C 13 178.270 0.12 . 1 . . . . 539 . . . 6236 1 1097 . 1 1 81 81 ARG N N 15 122.700 0.15 . 1 . . . . 540 . . . 6236 1 1098 . 1 1 81 81 ARG H H 1 8.740 0.03 . 1 . . . . 540 . . . 6236 1 1099 . 1 1 81 81 ARG CA C 13 59.700 0.12 . 1 . . . . 540 . . . 6236 1 1100 . 1 1 81 81 ARG HA H 1 4.180 0.03 . 1 . . . . 540 . . . 6236 1 1101 . 1 1 81 81 ARG CB C 13 30.300 0.12 . 1 . . . . 540 . . . 6236 1 1102 . 1 1 81 81 ARG HB2 H 1 2.140 0.03 . 2 . . . . 540 . . . 6236 1 1103 . 1 1 81 81 ARG HB3 H 1 1.890 0.03 . 2 . . . . 540 . . . 6236 1 1104 . 1 1 81 81 ARG CG C 13 26.700 0.12 . 1 . . . . 540 . . . 6236 1 1105 . 1 1 81 81 ARG HG3 H 1 1.750 0.03 . 9 . . . . 540 . . . 6236 1 1106 . 1 1 81 81 ARG HG2 H 1 1.750 0.03 . 9 . . . . 540 . . . 6236 1 1107 . 1 1 81 81 ARG CD C 13 43.900 0.12 . 1 . . . . 540 . . . 6236 1 1108 . 1 1 81 81 ARG HD3 H 1 3.160 0.03 . 9 . . . . 540 . . . 6236 1 1109 . 1 1 81 81 ARG HD2 H 1 3.160 0.03 . 9 . . . . 540 . . . 6236 1 1110 . 1 1 81 81 ARG C C 13 179.380 0.12 . 1 . . . . 540 . . . 6236 1 1111 . 1 1 82 82 MET N N 15 121.600 0.15 . 1 . . . . 541 . . . 6236 1 1112 . 1 1 82 82 MET H H 1 8.870 0.03 . 1 . . . . 541 . . . 6236 1 1113 . 1 1 82 82 MET CA C 13 59.620 0.12 . 1 . . . . 541 . . . 6236 1 1114 . 1 1 82 82 MET HA H 1 4.640 0.03 . 1 . . . . 541 . . . 6236 1 1115 . 1 1 82 82 MET CB C 13 33.100 0.12 . 1 . . . . 541 . . . 6236 1 1116 . 1 1 82 82 MET HB2 H 1 2.140 0.03 . 1 . . . . 541 . . . 6236 1 1117 . 1 1 82 82 MET HB3 H 1 2.140 0.03 . 1 . . . . 541 . . . 6236 1 1118 . 1 1 82 82 MET CG C 13 32.200 0.12 . 1 . . . . 541 . . . 6236 1 1119 . 1 1 82 82 MET HG3 H 1 2.590 0.03 . 9 . . . . 541 . . . 6236 1 1120 . 1 1 82 82 MET HG2 H 1 2.290 0.03 . 9 . . . . 541 . . . 6236 1 1121 . 1 1 82 82 MET CE C 13 16.800 0.12 . 9 . . . . 541 . . . 6236 1 1122 . 1 1 82 82 MET HE1 H 1 1.950 0.03 . 9 . . . . 541 . . . 6236 1 1123 . 1 1 82 82 MET HE2 H 1 1.950 0.03 . 9 . . . . 541 . . . 6236 1 1124 . 1 1 82 82 MET HE3 H 1 1.950 0.03 . 9 . . . . 541 . . . 6236 1 1125 . 1 1 82 82 MET C C 13 179.250 0.12 . 1 . . . . 541 . . . 6236 1 1126 . 1 1 83 83 ASN N N 15 117.500 0.15 . 1 . . . . 542 . . . 6236 1 1127 . 1 1 83 83 ASN H H 1 8.100 0.03 . 1 . . . . 542 . . . 6236 1 1128 . 1 1 83 83 ASN CA C 13 56.700 0.12 . 1 . . . . 542 . . . 6236 1 1129 . 1 1 83 83 ASN HA H 1 4.400 0.03 . 1 . . . . 542 . . . 6236 1 1130 . 1 1 83 83 ASN CB C 13 38.012 0.12 . 1 . . . . 542 . . . 6236 1 1131 . 1 1 83 83 ASN HB2 H 1 2.710 0.03 . 1 . . . . 542 . . . 6236 1 1132 . 1 1 83 83 ASN HB3 H 1 2.710 0.03 . 1 . . . . 542 . . . 6236 1 1133 . 1 1 83 83 ASN ND2 N 15 111.600 0.15 . 9 . . . . 542 . . . 6236 1 1134 . 1 1 83 83 ASN HD21 H 1 7.310 0.03 . 9 . . . . 542 . . . 6236 1 1135 . 1 1 83 83 ASN HD22 H 1 6.070 0.03 . 9 . . . . 542 . . . 6236 1 1136 . 1 1 83 83 ASN C C 13 178.580 0.12 . 1 . . . . 542 . . . 6236 1 1137 . 1 1 84 84 GLN N N 15 121.700 0.15 . 1 . . . . 543 . . . 6236 1 1138 . 1 1 84 84 GLN H H 1 8.410 0.03 . 1 . . . . 543 . . . 6236 1 1139 . 1 1 84 84 GLN CA C 13 59.200 0.12 . 1 . . . . 543 . . . 6236 1 1140 . 1 1 84 84 GLN HA H 1 4.120 0.03 . 1 . . . . 543 . . . 6236 1 1141 . 1 1 84 84 GLN CB C 13 27.900 0.12 . 1 . . . . 543 . . . 6236 1 1142 . 1 1 84 84 GLN HB2 H 1 2.260 0.03 . 1 . . . . 543 . . . 6236 1 1143 . 1 1 84 84 GLN HB3 H 1 2.260 0.03 . 1 . . . . 543 . . . 6236 1 1144 . 1 1 84 84 GLN CG C 13 33.600 0.12 . 1 . . . . 543 . . . 6236 1 1145 . 1 1 84 84 GLN HG3 H 1 2.510 0.03 . 9 . . . . 543 . . . 6236 1 1146 . 1 1 84 84 GLN HG2 H 1 2.440 0.03 . 9 . . . . 543 . . . 6236 1 1147 . 1 1 84 84 GLN NE2 N 15 111.500 0.15 . 9 . . . . 543 . . . 6236 1 1148 . 1 1 84 84 GLN HE21 H 1 7.490 0.03 . 9 . . . . 543 . . . 6236 1 1149 . 1 1 84 84 GLN HE22 H 1 6.790 0.03 . 9 . . . . 543 . . . 6236 1 1150 . 1 1 84 84 GLN C C 13 178.510 0.12 . 1 . . . . 543 . . . 6236 1 1151 . 1 1 85 85 SER N N 15 118.300 0.15 . 1 . . . . 544 . . . 6236 1 1152 . 1 1 85 85 SER H H 1 8.790 0.03 . 1 . . . . 544 . . . 6236 1 1153 . 1 1 85 85 SER CA C 13 62.000 0.12 . 1 . . . . 544 . . . 6236 1 1154 . 1 1 85 85 SER HA H 1 4.200 0.03 . 1 . . . . 544 . . . 6236 1 1155 . 1 1 85 85 SER CB C 13 62.200 0.12 . 1 . . . . 544 . . . 6236 1 1156 . 1 1 85 85 SER HB2 H 1 3.530 0.03 . 1 . . . . 544 . . . 6236 1 1157 . 1 1 85 85 SER HB3 H 1 3.530 0.03 . 1 . . . . 544 . . . 6236 1 1158 . 1 1 85 85 SER C C 13 179.430 0.12 . 1 . . . . 544 . . . 6236 1 1159 . 1 1 86 86 LEU N N 15 125.700 0.15 . 1 . . . . 545 . . . 6236 1 1160 . 1 1 86 86 LEU H H 1 8.750 0.03 . 1 . . . . 545 . . . 6236 1 1161 . 1 1 86 86 LEU CA C 13 57.600 0.12 . 1 . . . . 545 . . . 6236 1 1162 . 1 1 86 86 LEU HA H 1 4.050 0.03 . 1 . . . . 545 . . . 6236 1 1163 . 1 1 86 86 LEU CB C 13 40.800 0.12 . 1 . . . . 545 . . . 6236 1 1164 . 1 1 86 86 LEU HB2 H 1 1.600 0.03 . 2 . . . . 545 . . . 6236 1 1165 . 1 1 86 86 LEU HB3 H 1 1.980 0.03 . 2 . . . . 545 . . . 6236 1 1166 . 1 1 86 86 LEU CG C 13 27.700 0.12 . 1 . . . . 545 . . . 6236 1 1167 . 1 1 86 86 LEU HG H 1 1.830 0.03 . 9 . . . . 545 . . . 6236 1 1168 . 1 1 86 86 LEU CD1 C 13 25.200 0.12 . 9 . . . . 545 . . . 6236 1 1169 . 1 1 86 86 LEU HD11 H 1 0.910 0.03 . 9 . . . . 545 . . . 6236 1 1170 . 1 1 86 86 LEU HD12 H 1 0.910 0.03 . 9 . . . . 545 . . . 6236 1 1171 . 1 1 86 86 LEU HD13 H 1 0.910 0.03 . 9 . . . . 545 . . . 6236 1 1172 . 1 1 86 86 LEU CD2 C 13 23.100 0.12 . 9 . . . . 545 . . . 6236 1 1173 . 1 1 86 86 LEU HD21 H 1 0.820 0.03 . 9 . . . . 545 . . . 6236 1 1174 . 1 1 86 86 LEU HD22 H 1 0.820 0.03 . 9 . . . . 545 . . . 6236 1 1175 . 1 1 86 86 LEU HD23 H 1 0.820 0.03 . 9 . . . . 545 . . . 6236 1 1176 . 1 1 86 86 LEU C C 13 177.320 0.12 . 1 . . . . 545 . . . 6236 1 1177 . 1 1 87 87 SER N N 15 114.500 0.15 . 1 . . . . 546 . . . 6236 1 1178 . 1 1 87 87 SER H H 1 7.920 0.03 . 1 . . . . 546 . . . 6236 1 1179 . 1 1 87 87 SER CA C 13 61.800 0.12 . 1 . . . . 546 . . . 6236 1 1180 . 1 1 87 87 SER HA H 1 4.240 0.03 . 1 . . . . 546 . . . 6236 1 1181 . 1 1 87 87 SER CB C 13 62.000 0.12 . 1 . . . . 546 . . . 6236 1 1182 . 1 1 87 87 SER HB2 H 1 4.080 0.03 . 1 . . . . 546 . . . 6236 1 1183 . 1 1 87 87 SER HB3 H 1 4.080 0.03 . 1 . . . . 546 . . . 6236 1 1184 . 1 1 87 87 SER C C 13 178.470 0.12 . 1 . . . . 546 . . . 6236 1 1185 . 1 1 88 88 LEU N N 15 119.400 0.15 . 1 . . . . 547 . . . 6236 1 1186 . 1 1 88 88 LEU H H 1 7.240 0.03 . 1 . . . . 547 . . . 6236 1 1187 . 1 1 88 88 LEU CA C 13 56.960 0.12 . 1 . . . . 547 . . . 6236 1 1188 . 1 1 88 88 LEU HA H 1 4.010 0.03 . 1 . . . . 547 . . . 6236 1 1189 . 1 1 88 88 LEU CB C 13 41.500 0.12 . 1 . . . . 547 . . . 6236 1 1190 . 1 1 88 88 LEU HB2 H 1 1.800 0.03 . 2 . . . . 547 . . . 6236 1 1191 . 1 1 88 88 LEU HB3 H 1 1.370 0.03 . 2 . . . . 547 . . . 6236 1 1192 . 1 1 88 88 LEU CG C 13 25.900 0.12 . 1 . . . . 547 . . . 6236 1 1193 . 1 1 88 88 LEU HG H 1 1.980 0.03 . 9 . . . . 547 . . . 6236 1 1194 . 1 1 88 88 LEU CD1 C 13 25.400 0.12 . 9 . . . . 547 . . . 6236 1 1195 . 1 1 88 88 LEU HD11 H 1 0.870 0.03 . 9 . . . . 547 . . . 6236 1 1196 . 1 1 88 88 LEU HD12 H 1 0.870 0.03 . 9 . . . . 547 . . . 6236 1 1197 . 1 1 88 88 LEU HD13 H 1 0.870 0.03 . 9 . . . . 547 . . . 6236 1 1198 . 1 1 88 88 LEU CD2 C 13 21.600 0.12 . 9 . . . . 547 . . . 6236 1 1199 . 1 1 88 88 LEU HD21 H 1 0.790 0.03 . 9 . . . . 547 . . . 6236 1 1200 . 1 1 88 88 LEU HD22 H 1 0.790 0.03 . 9 . . . . 547 . . . 6236 1 1201 . 1 1 88 88 LEU HD23 H 1 0.790 0.03 . 9 . . . . 547 . . . 6236 1 1202 . 1 1 88 88 LEU C C 13 176.040 0.12 . 1 . . . . 547 . . . 6236 1 1203 . 1 1 89 89 LEU N N 15 118.800 0.15 . 1 . . . . 548 . . . 6236 1 1204 . 1 1 89 89 LEU H H 1 7.230 0.03 . 1 . . . . 548 . . . 6236 1 1205 . 1 1 89 89 LEU CA C 13 57.700 0.12 . 1 . . . . 548 . . . 6236 1 1206 . 1 1 89 89 LEU HA H 1 3.960 0.03 . 1 . . . . 548 . . . 6236 1 1207 . 1 1 89 89 LEU CB C 13 41.400 0.12 . 1 . . . . 548 . . . 6236 1 1208 . 1 1 89 89 LEU HB2 H 1 1.780 0.03 . 2 . . . . 548 . . . 6236 1 1209 . 1 1 89 89 LEU HB3 H 1 1.630 0.03 . 2 . . . . 548 . . . 6236 1 1210 . 1 1 89 89 LEU CG C 13 26.800 0.12 . 1 . . . . 548 . . . 6236 1 1211 . 1 1 89 89 LEU HG H 1 1.440 0.03 . 9 . . . . 548 . . . 6236 1 1212 . 1 1 89 89 LEU CD1 C 13 24.700 0.12 . 9 . . . . 548 . . . 6236 1 1213 . 1 1 89 89 LEU HD11 H 1 0.810 0.03 . 9 . . . . 548 . . . 6236 1 1214 . 1 1 89 89 LEU HD12 H 1 0.810 0.03 . 9 . . . . 548 . . . 6236 1 1215 . 1 1 89 89 LEU HD13 H 1 0.810 0.03 . 9 . . . . 548 . . . 6236 1 1216 . 1 1 89 89 LEU CD2 C 13 25.800 0.12 . 9 . . . . 548 . . . 6236 1 1217 . 1 1 89 89 LEU HD21 H 1 0.780 0.03 . 9 . . . . 548 . . . 6236 1 1218 . 1 1 89 89 LEU HD22 H 1 0.780 0.03 . 9 . . . . 548 . . . 6236 1 1219 . 1 1 89 89 LEU HD23 H 1 0.780 0.03 . 9 . . . . 548 . . . 6236 1 1220 . 1 1 89 89 LEU C C 13 179.210 0.12 . 1 . . . . 548 . . . 6236 1 1221 . 1 1 90 90 TYR N N 15 113.300 0.15 . 1 . . . . 549 . . . 6236 1 1222 . 1 1 90 90 TYR H H 1 7.080 0.03 . 1 . . . . 549 . . . 6236 1 1223 . 1 1 90 90 TYR CA C 13 59.300 0.12 . 1 . . . . 549 . . . 6236 1 1224 . 1 1 90 90 TYR HA H 1 4.080 0.03 . 1 . . . . 549 . . . 6236 1 1225 . 1 1 90 90 TYR CB C 13 36.400 0.12 . 1 . . . . 549 . . . 6236 1 1226 . 1 1 90 90 TYR HB2 H 1 3.290 0.03 . 2 . . . . 549 . . . 6236 1 1227 . 1 1 90 90 TYR HB3 H 1 2.880 0.03 . 2 . . . . 549 . . . 6236 1 1228 . 1 1 90 90 TYR CD1 C 13 132.500 0.12 . 9 . . . . 549 . . . 6236 1 1229 . 1 1 90 90 TYR HD1 H 1 7.140 0.03 . 9 . . . . 549 . . . 6236 1 1230 . 1 1 90 90 TYR CE1 C 13 118.100 0.12 . 9 . . . . 549 . . . 6236 1 1231 . 1 1 90 90 TYR HE1 H 1 6.820 0.03 . 9 . . . . 549 . . . 6236 1 1232 . 1 1 90 90 TYR CE2 C 13 118.100 0.12 . 9 . . . . 549 . . . 6236 1 1233 . 1 1 90 90 TYR HE2 H 1 6.820 0.03 . 9 . . . . 549 . . . 6236 1 1234 . 1 1 90 90 TYR CD2 C 13 132.500 0.12 . 9 . . . . 549 . . . 6236 1 1235 . 1 1 90 90 TYR HD2 H 1 7.140 0.03 . 9 . . . . 549 . . . 6236 1 1236 . 1 1 90 90 TYR C C 13 177.950 0.12 . 1 . . . . 549 . . . 6236 1 1237 . 1 1 91 91 ASN N N 15 115.500 0.15 . 1 . . . . 550 . . . 6236 1 1238 . 1 1 91 91 ASN H H 1 7.540 0.03 . 1 . . . . 550 . . . 6236 1 1239 . 1 1 91 91 ASN CA C 13 53.600 0.12 . 1 . . . . 550 . . . 6236 1 1240 . 1 1 91 91 ASN HA H 1 4.810 0.03 . 1 . . . . 550 . . . 6236 1 1241 . 1 1 91 91 ASN CB C 13 38.800 0.12 . 1 . . . . 550 . . . 6236 1 1242 . 1 1 91 91 ASN HB2 H 1 3.050 0.03 . 2 . . . . 550 . . . 6236 1 1243 . 1 1 91 91 ASN HB3 H 1 2.920 0.03 . 2 . . . . 550 . . . 6236 1 1244 . 1 1 91 91 ASN ND2 N 15 112.100 0.15 . 9 . . . . 550 . . . 6236 1 1245 . 1 1 91 91 ASN HD21 H 1 7.560 0.03 . 9 . . . . 550 . . . 6236 1 1246 . 1 1 91 91 ASN HD22 H 1 7.030 0.03 . 9 . . . . 550 . . . 6236 1 1247 . 1 1 91 91 ASN C C 13 176.420 0.12 . 1 . . . . 550 . . . 6236 1 1248 . 1 1 92 92 VAL N N 15 119.600 0.15 . 1 . . . . 551 . . . 6236 1 1249 . 1 1 92 92 VAL H H 1 7.830 0.03 . 1 . . . . 551 . . . 6236 1 1250 . 1 1 92 92 VAL CA C 13 59.200 0.12 . 1 . . . . 551 . . . 6236 1 1251 . 1 1 92 92 VAL HA H 1 4.650 0.03 . 1 . . . . 551 . . . 6236 1 1252 . 1 1 92 92 VAL CB C 13 31.190 0.12 . 1 . . . . 551 . . . 6236 1 1253 . 1 1 92 92 VAL HB H 1 2.380 0.03 . 9 . . . . 551 . . . 6236 1 1254 . 1 1 92 92 VAL CG2 C 13 20.000 0.12 . 9 . . . . 551 . . . 6236 1 1255 . 1 1 92 92 VAL HG21 H 1 1.000 0.03 . 9 . . . . 551 . . . 6236 1 1256 . 1 1 92 92 VAL HG22 H 1 1.000 0.03 . 9 . . . . 551 . . . 6236 1 1257 . 1 1 92 92 VAL HG23 H 1 1.000 0.03 . 9 . . . . 551 . . . 6236 1 1258 . 1 1 92 92 VAL CG1 C 13 23.000 0.12 . 9 . . . . 551 . . . 6236 1 1259 . 1 1 92 92 VAL HG11 H 1 1.080 0.03 . 9 . . . . 551 . . . 6236 1 1260 . 1 1 92 92 VAL HG12 H 1 1.080 0.03 . 9 . . . . 551 . . . 6236 1 1261 . 1 1 92 92 VAL HG13 H 1 1.080 0.03 . 9 . . . . 551 . . . 6236 1 1262 . 1 1 92 92 VAL C C 13 174.690 0.12 . 1 . . . . 551 . . . 6236 1 1263 . 1 1 93 93 PRO CA C 13 66.000 0.12 . 1 . . . . 552 . . . 6236 1 1264 . 1 1 93 93 PRO HA H 1 4.260 0.03 . 1 . . . . 552 . . . 6236 1 1265 . 1 1 93 93 PRO CB C 13 31.900 0.12 . 1 . . . . 552 . . . 6236 1 1266 . 1 1 93 93 PRO HB2 H 1 2.050 0.03 . 2 . . . . 552 . . . 6236 1 1267 . 1 1 93 93 PRO HB3 H 1 2.470 0.03 . 2 . . . . 552 . . . 6236 1 1268 . 1 1 93 93 PRO CG C 13 27.300 0.12 . 1 . . . . 552 . . . 6236 1 1269 . 1 1 93 93 PRO HG3 H 1 2.140 0.03 . 9 . . . . 552 . . . 6236 1 1270 . 1 1 93 93 PRO HG2 H 1 2.070 0.03 . 9 . . . . 552 . . . 6236 1 1271 . 1 1 93 93 PRO CD C 13 50.700 0.12 . 1 . . . . 552 . . . 6236 1 1272 . 1 1 93 93 PRO HD3 H 1 3.860 0.03 . 9 . . . . 552 . . . 6236 1 1273 . 1 1 93 93 PRO HD2 H 1 3.530 0.03 . 9 . . . . 552 . . . 6236 1 1274 . 1 1 94 94 ALA N N 15 117.700 0.15 . 1 . . . . 553 . . . 6236 1 1275 . 1 1 94 94 ALA H H 1 8.740 0.03 . 1 . . . . 553 . . . 6236 1 1276 . 1 1 94 94 ALA CA C 13 54.800 0.12 . 1 . . . . 553 . . . 6236 1 1277 . 1 1 94 94 ALA HA H 1 4.230 0.03 . 1 . . . . 553 . . . 6236 1 1278 . 1 1 94 94 ALA CB C 13 18.600 0.12 . 1 . . . . 553 . . . 6236 1 1279 . 1 1 94 94 ALA HB1 H 1 1.470 0.03 . 1 . . . . 553 . . . 6236 1 1280 . 1 1 94 94 ALA HB2 H 1 1.470 0.03 . 1 . . . . 553 . . . 6236 1 1281 . 1 1 94 94 ALA HB3 H 1 1.470 0.03 . 1 . . . . 553 . . . 6236 1 1282 . 1 1 94 94 ALA C C 13 177.560 0.12 . 1 . . . . 553 . . . 6236 1 1283 . 1 1 95 95 VAL N N 15 115.000 0.15 . 1 . . . . 554 . . . 6236 1 1284 . 1 1 95 95 VAL H H 1 7.540 0.03 . 1 . . . . 554 . . . 6236 1 1285 . 1 1 95 95 VAL CA C 13 64.900 0.12 . 1 . . . . 554 . . . 6236 1 1286 . 1 1 95 95 VAL HA H 1 3.830 0.03 . 1 . . . . 554 . . . 6236 1 1287 . 1 1 95 95 VAL CB C 13 31.900 0.12 . 1 . . . . 554 . . . 6236 1 1288 . 1 1 95 95 VAL HB H 1 2.260 0.03 . 9 . . . . 554 . . . 6236 1 1289 . 1 1 95 95 VAL CG2 C 13 23.500 0.12 . 9 . . . . 554 . . . 6236 1 1290 . 1 1 95 95 VAL HG21 H 1 1.020 0.03 . 9 . . . . 554 . . . 6236 1 1291 . 1 1 95 95 VAL HG22 H 1 1.020 0.03 . 9 . . . . 554 . . . 6236 1 1292 . 1 1 95 95 VAL HG23 H 1 1.020 0.03 . 9 . . . . 554 . . . 6236 1 1293 . 1 1 95 95 VAL CG1 C 13 21.800 0.12 . 9 . . . . 554 . . . 6236 1 1294 . 1 1 95 95 VAL HG11 H 1 0.910 0.03 . 9 . . . . 554 . . . 6236 1 1295 . 1 1 95 95 VAL HG12 H 1 0.910 0.03 . 9 . . . . 554 . . . 6236 1 1296 . 1 1 95 95 VAL HG13 H 1 0.910 0.03 . 9 . . . . 554 . . . 6236 1 1297 . 1 1 95 95 VAL C C 13 180.470 0.12 . 1 . . . . 554 . . . 6236 1 1298 . 1 1 96 96 ALA N N 15 121.500 0.15 . 1 . . . . 555 . . . 6236 1 1299 . 1 1 96 96 ALA H H 1 8.190 0.03 . 1 . . . . 555 . . . 6236 1 1300 . 1 1 96 96 ALA CA C 13 55.900 0.12 . 1 . . . . 555 . . . 6236 1 1301 . 1 1 96 96 ALA HA H 1 3.660 0.03 . 1 . . . . 555 . . . 6236 1 1302 . 1 1 96 96 ALA CB C 13 18.200 0.12 . 1 . . . . 555 . . . 6236 1 1303 . 1 1 96 96 ALA HB1 H 1 1.400 0.03 . 1 . . . . 555 . . . 6236 1 1304 . 1 1 96 96 ALA HB2 H 1 1.400 0.03 . 1 . . . . 555 . . . 6236 1 1305 . 1 1 96 96 ALA HB3 H 1 1.400 0.03 . 1 . . . . 555 . . . 6236 1 1306 . 1 1 96 96 ALA C C 13 173.800 0.12 . 1 . . . . 555 . . . 6236 1 1307 . 1 1 97 97 GLU N N 15 113.000 0.15 . 1 . . . . 556 . . . 6236 1 1308 . 1 1 97 97 GLU H H 1 8.470 0.03 . 1 . . . . 556 . . . 6236 1 1309 . 1 1 97 97 GLU CA C 13 59.000 0.12 . 1 . . . . 556 . . . 6236 1 1310 . 1 1 97 97 GLU HA H 1 4.050 0.03 . 1 . . . . 556 . . . 6236 1 1311 . 1 1 97 97 GLU CB C 13 29.700 0.12 . 1 . . . . 556 . . . 6236 1 1312 . 1 1 97 97 GLU HB2 H 1 2.050 0.03 . 2 . . . . 556 . . . 6236 1 1313 . 1 1 97 97 GLU HB3 H 1 2.120 0.03 . 2 . . . . 556 . . . 6236 1 1314 . 1 1 97 97 GLU CG C 13 36.300 0.12 . 1 . . . . 556 . . . 6236 1 1315 . 1 1 97 97 GLU HG3 H 1 2.430 0.03 . 9 . . . . 556 . . . 6236 1 1316 . 1 1 97 97 GLU HG2 H 1 2.360 0.03 . 9 . . . . 556 . . . 6236 1 1317 . 1 1 97 97 GLU C C 13 179.030 0.12 . 1 . . . . 556 . . . 6236 1 1318 . 1 1 98 98 GLU N N 15 116.000 0.15 . 1 . . . . 557 . . . 6236 1 1319 . 1 1 98 98 GLU H H 1 7.190 0.03 . 1 . . . . 557 . . . 6236 1 1320 . 1 1 98 98 GLU CA C 13 58.300 0.12 . 1 . . . . 557 . . . 6236 1 1321 . 1 1 98 98 GLU HA H 1 4.320 0.03 . 1 . . . . 557 . . . 6236 1 1322 . 1 1 98 98 GLU CB C 13 30.300 0.12 . 1 . . . . 557 . . . 6236 1 1323 . 1 1 98 98 GLU HB2 H 1 2.170 0.03 . 1 . . . . 557 . . . 6236 1 1324 . 1 1 98 98 GLU HB3 H 1 2.170 0.03 . 1 . . . . 557 . . . 6236 1 1325 . 1 1 98 98 GLU CG C 13 36.100 0.12 . 1 . . . . 557 . . . 6236 1 1326 . 1 1 98 98 GLU HG3 H 1 2.420 0.03 . 9 . . . . 557 . . . 6236 1 1327 . 1 1 98 98 GLU HG2 H 1 2.290 0.03 . 9 . . . . 557 . . . 6236 1 1328 . 1 1 98 98 GLU C C 13 178.440 0.12 . 1 . . . . 557 . . . 6236 1 1329 . 1 1 99 99 ILE N N 15 107.200 0.15 . 1 . . . . 558 . . . 6236 1 1330 . 1 1 99 99 ILE H H 1 7.340 0.03 . 1 . . . . 558 . . . 6236 1 1331 . 1 1 99 99 ILE CA C 13 60.900 0.12 . 1 . . . . 558 . . . 6236 1 1332 . 1 1 99 99 ILE HA H 1 4.900 0.03 . 1 . . . . 558 . . . 6236 1 1333 . 1 1 99 99 ILE CB C 13 39.500 0.12 . 1 . . . . 558 . . . 6236 1 1334 . 1 1 99 99 ILE HB H 1 2.210 0.03 . 9 . . . . 558 . . . 6236 1 1335 . 1 1 99 99 ILE CG1 C 13 25.200 0.12 . 9 . . . . 558 . . . 6236 1 1336 . 1 1 99 99 ILE HG12 H 1 1.430 0.03 . 9 . . . . 558 . . . 6236 1 1337 . 1 1 99 99 ILE HG13 H 1 1.140 0.03 . 9 . . . . 558 . . . 6236 1 1338 . 1 1 99 99 ILE CD1 C 13 14.400 0.12 . 9 . . . . 558 . . . 6236 1 1339 . 1 1 99 99 ILE HD11 H 1 0.910 0.03 . 9 . . . . 558 . . . 6236 1 1340 . 1 1 99 99 ILE HD12 H 1 0.910 0.03 . 9 . . . . 558 . . . 6236 1 1341 . 1 1 99 99 ILE HD13 H 1 0.910 0.03 . 9 . . . . 558 . . . 6236 1 1342 . 1 1 99 99 ILE CG2 C 13 17.100 0.12 . 9 . . . . 558 . . . 6236 1 1343 . 1 1 99 99 ILE HG21 H 1 0.820 0.03 . 9 . . . . 558 . . . 6236 1 1344 . 1 1 99 99 ILE HG22 H 1 0.820 0.03 . 9 . . . . 558 . . . 6236 1 1345 . 1 1 99 99 ILE HG23 H 1 0.820 0.03 . 9 . . . . 558 . . . 6236 1 1346 . 1 1 99 99 ILE C C 13 178.150 0.12 . 1 . . . . 558 . . . 6236 1 1347 . 1 1 100 100 GLN N N 15 123.000 0.15 . 1 . . . . 559 . . . 6236 1 1348 . 1 1 100 100 GLN H H 1 7.940 0.03 . 1 . . . . 559 . . . 6236 1 1349 . 1 1 100 100 GLN CA C 13 59.800 0.12 . 1 . . . . 559 . . . 6236 1 1350 . 1 1 100 100 GLN HA H 1 3.900 0.03 . 1 . . . . 559 . . . 6236 1 1351 . 1 1 100 100 GLN CB C 13 28.300 0.12 . 1 . . . . 559 . . . 6236 1 1352 . 1 1 100 100 GLN HB2 H 1 2.480 0.03 . 2 . . . . 559 . . . 6236 1 1353 . 1 1 100 100 GLN HB3 H 1 2.090 0.03 . 2 . . . . 559 . . . 6236 1 1354 . 1 1 100 100 GLN CG C 13 32.900 0.12 . 1 . . . . 559 . . . 6236 1 1355 . 1 1 100 100 GLN HG3 H 1 2.440 0.03 . 9 . . . . 559 . . . 6236 1 1356 . 1 1 100 100 GLN HG2 H 1 2.380 0.03 . 9 . . . . 559 . . . 6236 1 1357 . 1 1 100 100 GLN NE2 N 15 112.300 0.15 . 9 . . . . 559 . . . 6236 1 1358 . 1 1 100 100 GLN HE21 H 1 7.720 0.03 . 9 . . . . 559 . . . 6236 1 1359 . 1 1 100 100 GLN HE22 H 1 6.620 0.03 . 9 . . . . 559 . . . 6236 1 1360 . 1 1 100 100 GLN C C 13 176.380 0.12 . 1 . . . . 559 . . . 6236 1 1361 . 1 1 101 101 ASP N N 15 118.400 0.15 . 1 . . . . 560 . . . 6236 1 1362 . 1 1 101 101 ASP H H 1 8.560 0.03 . 1 . . . . 560 . . . 6236 1 1363 . 1 1 101 101 ASP CA C 13 57.800 0.12 . 1 . . . . 560 . . . 6236 1 1364 . 1 1 101 101 ASP HA H 1 4.410 0.03 . 1 . . . . 560 . . . 6236 1 1365 . 1 1 101 101 ASP CB C 13 39.700 0.12 . 1 . . . . 560 . . . 6236 1 1366 . 1 1 101 101 ASP HB2 H 1 2.660 0.03 . 1 . . . . 560 . . . 6236 1 1367 . 1 1 101 101 ASP HB3 H 1 2.660 0.03 . 1 . . . . 560 . . . 6236 1 1368 . 1 1 101 101 ASP C C 13 176.960 0.12 . 1 . . . . 560 . . . 6236 1 1369 . 1 1 102 102 GLU N N 15 121.100 0.15 . 1 . . . . 561 . . . 6236 1 1370 . 1 1 102 102 GLU H H 1 7.940 0.03 . 1 . . . . 561 . . . 6236 1 1371 . 1 1 102 102 GLU CA C 13 59.300 0.12 . 1 . . . . 561 . . . 6236 1 1372 . 1 1 102 102 GLU HA H 1 3.980 0.03 . 1 . . . . 561 . . . 6236 1 1373 . 1 1 102 102 GLU CB C 13 29.400 0.12 . 1 . . . . 561 . . . 6236 1 1374 . 1 1 102 102 GLU HB2 H 1 1.590 0.03 . 2 . . . . 561 . . . 6236 1 1375 . 1 1 102 102 GLU HB3 H 1 1.500 0.03 . 2 . . . . 561 . . . 6236 1 1376 . 1 1 102 102 GLU CG C 13 37.300 0.12 . 1 . . . . 561 . . . 6236 1 1377 . 1 1 102 102 GLU HG3 H 1 1.980 0.03 . 9 . . . . 561 . . . 6236 1 1378 . 1 1 102 102 GLU HG2 H 1 1.980 0.03 . 9 . . . . 561 . . . 6236 1 1379 . 1 1 102 102 GLU C C 13 178.660 0.12 . 1 . . . . 561 . . . 6236 1 1380 . 1 1 103 103 VAL N N 15 122.700 0.15 . 1 . . . . 562 . . . 6236 1 1381 . 1 1 103 103 VAL H H 1 8.420 0.03 . 1 . . . . 562 . . . 6236 1 1382 . 1 1 103 103 VAL CA C 13 67.300 0.12 . 1 . . . . 562 . . . 6236 1 1383 . 1 1 103 103 VAL HA H 1 3.680 0.03 . 1 . . . . 562 . . . 6236 1 1384 . 1 1 103 103 VAL CB C 13 31.300 0.12 . 1 . . . . 562 . . . 6236 1 1385 . 1 1 103 103 VAL HB H 1 2.300 0.03 . 9 . . . . 562 . . . 6236 1 1386 . 1 1 103 103 VAL CG2 C 13 24.100 0.12 . 9 . . . . 562 . . . 6236 1 1387 . 1 1 103 103 VAL HG21 H 1 1.080 0.03 . 9 . . . . 562 . . . 6236 1 1388 . 1 1 103 103 VAL HG22 H 1 1.080 0.03 . 9 . . . . 562 . . . 6236 1 1389 . 1 1 103 103 VAL HG23 H 1 1.080 0.03 . 9 . . . . 562 . . . 6236 1 1390 . 1 1 103 103 VAL CG1 C 13 21.600 0.12 . 9 . . . . 562 . . . 6236 1 1391 . 1 1 103 103 VAL HG11 H 1 0.950 0.03 . 9 . . . . 562 . . . 6236 1 1392 . 1 1 103 103 VAL HG12 H 1 0.950 0.03 . 9 . . . . 562 . . . 6236 1 1393 . 1 1 103 103 VAL HG13 H 1 0.950 0.03 . 9 . . . . 562 . . . 6236 1 1394 . 1 1 103 103 VAL C C 13 179.750 0.12 . 1 . . . . 562 . . . 6236 1 1395 . 1 1 104 104 ASP N N 15 119.900 0.15 . 1 . . . . 563 . . . 6236 1 1396 . 1 1 104 104 ASP H H 1 8.500 0.03 . 1 . . . . 563 . . . 6236 1 1397 . 1 1 104 104 ASP CA C 13 57.700 0.12 . 1 . . . . 563 . . . 6236 1 1398 . 1 1 104 104 ASP HA H 1 4.400 0.03 . 1 . . . . 563 . . . 6236 1 1399 . 1 1 104 104 ASP CB C 13 40.100 0.12 . 1 . . . . 563 . . . 6236 1 1400 . 1 1 104 104 ASP HB2 H 1 2.670 0.03 . 2 . . . . 563 . . . 6236 1 1401 . 1 1 104 104 ASP HB3 H 1 2.870 0.03 . 2 . . . . 563 . . . 6236 1 1402 . 1 1 104 104 ASP C C 13 176.890 0.12 . 1 . . . . 563 . . . 6236 1 1403 . 1 1 105 105 GLU N N 15 118.400 0.15 . 1 . . . . 564 . . . 6236 1 1404 . 1 1 105 105 GLU H H 1 7.660 0.03 . 1 . . . . 564 . . . 6236 1 1405 . 1 1 105 105 GLU CA C 13 59.200 0.12 . 1 . . . . 564 . . . 6236 1 1406 . 1 1 105 105 GLU HA H 1 4.050 0.03 . 1 . . . . 564 . . . 6236 1 1407 . 1 1 105 105 GLU CB C 13 29.500 0.12 . 1 . . . . 564 . . . 6236 1 1408 . 1 1 105 105 GLU HB2 H 1 2.120 0.03 . 1 . . . . 564 . . . 6236 1 1409 . 1 1 105 105 GLU HB3 H 1 2.120 0.03 . 1 . . . . 564 . . . 6236 1 1410 . 1 1 105 105 GLU CG C 13 36.200 0.12 . 1 . . . . 564 . . . 6236 1 1411 . 1 1 105 105 GLU HG3 H 1 2.400 0.03 . 9 . . . . 564 . . . 6236 1 1412 . 1 1 105 105 GLU HG2 H 1 2.260 0.03 . 9 . . . . 564 . . . 6236 1 1413 . 1 1 105 105 GLU C C 13 177.060 0.12 . 1 . . . . 564 . . . 6236 1 1414 . 1 1 106 106 LEU N N 15 120.800 0.15 . 1 . . . . 565 . . . 6236 1 1415 . 1 1 106 106 LEU H H 1 7.920 0.03 . 1 . . . . 565 . . . 6236 1 1416 . 1 1 106 106 LEU CA C 13 57.700 0.12 . 1 . . . . 565 . . . 6236 1 1417 . 1 1 106 106 LEU HA H 1 4.220 0.03 . 1 . . . . 565 . . . 6236 1 1418 . 1 1 106 106 LEU CB C 13 42.400 0.12 . 1 . . . . 565 . . . 6236 1 1419 . 1 1 106 106 LEU HB2 H 1 2.220 0.03 . 2 . . . . 565 . . . 6236 1 1420 . 1 1 106 106 LEU HB3 H 1 1.980 0.03 . 2 . . . . 565 . . . 6236 1 1421 . 1 1 106 106 LEU CG C 13 26.920 0.12 . 1 . . . . 565 . . . 6236 1 1422 . 1 1 106 106 LEU HG H 1 1.690 0.03 . 9 . . . . 565 . . . 6236 1 1423 . 1 1 106 106 LEU CD1 C 13 24.100 0.12 . 9 . . . . 565 . . . 6236 1 1424 . 1 1 106 106 LEU HD11 H 1 0.950 0.03 . 9 . . . . 565 . . . 6236 1 1425 . 1 1 106 106 LEU HD12 H 1 0.950 0.03 . 9 . . . . 565 . . . 6236 1 1426 . 1 1 106 106 LEU HD13 H 1 0.950 0.03 . 9 . . . . 565 . . . 6236 1 1427 . 1 1 106 106 LEU CD2 C 13 25.300 0.12 . 9 . . . . 565 . . . 6236 1 1428 . 1 1 106 106 LEU HD21 H 1 0.790 0.03 . 9 . . . . 565 . . . 6236 1 1429 . 1 1 106 106 LEU HD22 H 1 0.790 0.03 . 9 . . . . 565 . . . 6236 1 1430 . 1 1 106 106 LEU HD23 H 1 0.790 0.03 . 9 . . . . 565 . . . 6236 1 1431 . 1 1 106 106 LEU C C 13 178.400 0.12 . 1 . . . . 565 . . . 6236 1 1432 . 1 1 107 107 LEU N N 15 116.700 0.15 . 1 . . . . 566 . . . 6236 1 1433 . 1 1 107 107 LEU H H 1 8.120 0.03 . 1 . . . . 566 . . . 6236 1 1434 . 1 1 107 107 LEU CA C 13 56.000 0.12 . 1 . . . . 566 . . . 6236 1 1435 . 1 1 107 107 LEU HA H 1 4.100 0.03 . 1 . . . . 566 . . . 6236 1 1436 . 1 1 107 107 LEU CB C 13 41.300 0.12 . 1 . . . . 566 . . . 6236 1 1437 . 1 1 107 107 LEU HB2 H 1 1.890 0.03 . 2 . . . . 566 . . . 6236 1 1438 . 1 1 107 107 LEU HB3 H 1 1.610 0.03 . 2 . . . . 566 . . . 6236 1 1439 . 1 1 107 107 LEU CG C 13 26.600 0.12 . 1 . . . . 566 . . . 6236 1 1440 . 1 1 107 107 LEU HG H 1 1.900 0.03 . 9 . . . . 566 . . . 6236 1 1441 . 1 1 107 107 LEU CD1 C 13 25.300 0.12 . 9 . . . . 566 . . . 6236 1 1442 . 1 1 107 107 LEU HD11 H 1 0.900 0.03 . 9 . . . . 566 . . . 6236 1 1443 . 1 1 107 107 LEU HD12 H 1 0.900 0.03 . 9 . . . . 566 . . . 6236 1 1444 . 1 1 107 107 LEU HD13 H 1 0.900 0.03 . 9 . . . . 566 . . . 6236 1 1445 . 1 1 107 107 LEU CD2 C 13 22.200 0.12 . 9 . . . . 566 . . . 6236 1 1446 . 1 1 107 107 LEU HD21 H 1 0.780 0.03 . 9 . . . . 566 . . . 6236 1 1447 . 1 1 107 107 LEU HD22 H 1 0.780 0.03 . 9 . . . . 566 . . . 6236 1 1448 . 1 1 107 107 LEU HD23 H 1 0.780 0.03 . 9 . . . . 566 . . . 6236 1 1449 . 1 1 107 107 LEU C C 13 178.510 0.12 . 1 . . . . 566 . . . 6236 1 1450 . 1 1 108 108 GLN N N 15 118.100 0.15 . 1 . . . . 567 . . . 6236 1 1451 . 1 1 108 108 GLN H H 1 7.830 0.03 . 1 . . . . 567 . . . 6236 1 1452 . 1 1 108 108 GLN CA C 13 57.600 0.12 . 1 . . . . 567 . . . 6236 1 1453 . 1 1 108 108 GLN HA H 1 4.160 0.03 . 1 . . . . 567 . . . 6236 1 1454 . 1 1 108 108 GLN CB C 13 28.700 0.12 . 1 . . . . 567 . . . 6236 1 1455 . 1 1 108 108 GLN HB2 H 1 2.180 0.03 . 1 . . . . 567 . . . 6236 1 1456 . 1 1 108 108 GLN HB3 H 1 2.180 0.03 . 1 . . . . 567 . . . 6236 1 1457 . 1 1 108 108 GLN CG C 13 33.800 0.12 . 1 . . . . 567 . . . 6236 1 1458 . 1 1 108 108 GLN HG3 H 1 2.470 0.03 . 9 . . . . 567 . . . 6236 1 1459 . 1 1 108 108 GLN HG2 H 1 2.470 0.03 . 9 . . . . 567 . . . 6236 1 1460 . 1 1 108 108 GLN NE2 N 15 112.000 0.15 . 9 . . . . 567 . . . 6236 1 1461 . 1 1 108 108 GLN HE21 H 1 7.480 0.03 . 9 . . . . 567 . . . 6236 1 1462 . 1 1 108 108 GLN HE22 H 1 6.820 0.03 . 9 . . . . 567 . . . 6236 1 1463 . 1 1 108 108 GLN C C 13 178.480 0.12 . 1 . . . . 567 . . . 6236 1 1464 . 1 1 109 109 LYS N N 15 118.900 0.15 . 1 . . . . 568 . . . 6236 1 1465 . 1 1 109 109 LYS H H 1 7.950 0.03 . 1 . . . . 568 . . . 6236 1 1466 . 1 1 109 109 LYS CA C 13 57.400 0.12 . 1 . . . . 568 . . . 6236 1 1467 . 1 1 109 109 LYS HA H 1 4.240 0.03 . 1 . . . . 568 . . . 6236 1 1468 . 1 1 109 109 LYS CB C 13 32.600 0.12 . 1 . . . . 568 . . . 6236 1 1469 . 1 1 109 109 LYS HB2 H 1 1.910 0.03 . 1 . . . . 568 . . . 6236 1 1470 . 1 1 109 109 LYS HB3 H 1 1.910 0.03 . 1 . . . . 568 . . . 6236 1 1471 . 1 1 109 109 LYS CG C 13 25.000 0.12 . 1 . . . . 568 . . . 6236 1 1472 . 1 1 109 109 LYS HG3 H 1 1.460 0.03 . 9 . . . . 568 . . . 6236 1 1473 . 1 1 109 109 LYS HG2 H 1 1.550 0.03 . 9 . . . . 568 . . . 6236 1 1474 . 1 1 109 109 LYS CD C 13 29.100 0.12 . 1 . . . . 568 . . . 6236 1 1475 . 1 1 109 109 LYS HD3 H 1 1.690 0.03 . 9 . . . . 568 . . . 6236 1 1476 . 1 1 109 109 LYS HD2 H 1 1.690 0.03 . 9 . . . . 568 . . . 6236 1 1477 . 1 1 109 109 LYS CE C 13 42.200 0.12 . 9 . . . . 568 . . . 6236 1 1478 . 1 1 109 109 LYS HE3 H 1 3.000 0.03 . 9 . . . . 568 . . . 6236 1 1479 . 1 1 109 109 LYS HE2 H 1 3.000 0.03 . 9 . . . . 568 . . . 6236 1 1480 . 1 1 109 109 LYS C C 13 177.100 0.12 . 1 . . . . 568 . . . 6236 1 1481 . 1 1 110 110 GLU N N 15 119.500 0.15 . 1 . . . . 569 . . . 6236 1 1482 . 1 1 110 110 GLU H H 1 8.150 0.03 . 1 . . . . 569 . . . 6236 1 1483 . 1 1 110 110 GLU CA C 13 56.700 0.12 . 1 . . . . 569 . . . 6236 1 1484 . 1 1 110 110 GLU HA H 1 4.250 0.03 . 1 . . . . 569 . . . 6236 1 1485 . 1 1 110 110 GLU CB C 13 29.700 0.12 . 1 . . . . 569 . . . 6236 1 1486 . 1 1 110 110 GLU HB2 H 1 2.110 0.03 . 2 . . . . 569 . . . 6236 1 1487 . 1 1 110 110 GLU HB3 H 1 1.900 0.03 . 2 . . . . 569 . . . 6236 1 1488 . 1 1 110 110 GLU CG C 13 36.100 0.12 . 1 . . . . 569 . . . 6236 1 1489 . 1 1 110 110 GLU HG3 H 1 2.260 0.03 . 9 . . . . 569 . . . 6236 1 1490 . 1 1 110 110 GLU HG2 H 1 2.260 0.03 . 9 . . . . 569 . . . 6236 1 1491 . 1 1 110 110 GLU C C 13 177.440 0.12 . 1 . . . . 569 . . . 6236 1 1492 . 1 1 111 111 GLN N N 15 119.300 0.15 . 1 . . . . 570 . . . 6236 1 1493 . 1 1 111 111 GLN H H 1 8.070 0.03 . 1 . . . . 570 . . . 6236 1 1494 . 1 1 111 111 GLN CA C 13 55.930 0.12 . 1 . . . . 570 . . . 6236 1 1495 . 1 1 111 111 GLN HA H 1 4.240 0.03 . 1 . . . . 570 . . . 6236 1 1496 . 1 1 111 111 GLN CB C 13 29.100 0.12 . 1 . . . . 570 . . . 6236 1 1497 . 1 1 111 111 GLN HB2 H 1 2.010 0.03 . 2 . . . . 570 . . . 6236 1 1498 . 1 1 111 111 GLN HB3 H 1 1.940 0.03 . 2 . . . . 570 . . . 6236 1 1499 . 1 1 111 111 GLN CG C 13 33.700 0.12 . 1 . . . . 570 . . . 6236 1 1500 . 1 1 111 111 GLN HG3 H 1 2.270 0.03 . 9 . . . . 570 . . . 6236 1 1501 . 1 1 111 111 GLN HG2 H 1 2.270 0.03 . 9 . . . . 570 . . . 6236 1 1502 . 1 1 111 111 GLN NE2 N 15 111.900 0.15 . 9 . . . . 570 . . . 6236 1 1503 . 1 1 111 111 GLN HE21 H 1 7.390 0.03 . 9 . . . . 570 . . . 6236 1 1504 . 1 1 111 111 GLN HE22 H 1 6.800 0.03 . 9 . . . . 570 . . . 6236 1 1505 . 1 1 111 111 GLN C C 13 176.610 0.12 . 1 . . . . 570 . . . 6236 1 1506 . 1 1 112 112 ASN N N 15 118.900 0.15 . 1 . . . . 571 . . . 6236 1 1507 . 1 1 112 112 ASN H H 1 8.140 0.03 . 1 . . . . 571 . . . 6236 1 1508 . 1 1 112 112 ASN CA C 13 53.100 0.12 . 1 . . . . 571 . . . 6236 1 1509 . 1 1 112 112 ASN HA H 1 4.630 0.03 . 1 . . . . 571 . . . 6236 1 1510 . 1 1 112 112 ASN CB C 13 38.800 0.12 . 1 . . . . 571 . . . 6236 1 1511 . 1 1 112 112 ASN HB2 H 1 2.740 0.03 . 2 . . . . 571 . . . 6236 1 1512 . 1 1 112 112 ASN HB3 H 1 2.660 0.03 . 2 . . . . 571 . . . 6236 1 1513 . 1 1 112 112 ASN ND2 N 15 112.300 0.15 . 9 . . . . 571 . . . 6236 1 1514 . 1 1 112 112 ASN HD21 H 1 7.530 0.03 . 9 . . . . 571 . . . 6236 1 1515 . 1 1 112 112 ASN HD22 H 1 6.870 0.03 . 9 . . . . 571 . . . 6236 1 1516 . 1 1 112 112 ASN C C 13 175.330 0.12 . 1 . . . . 571 . . . 6236 1 1517 . 1 1 113 113 TYR N N 15 120.600 0.15 . 1 . . . . 572 . . . 6236 1 1518 . 1 1 113 113 TYR H H 1 7.970 0.03 . 1 . . . . 572 . . . 6236 1 1519 . 1 1 113 113 TYR CA C 13 58.000 0.12 . 1 . . . . 572 . . . 6236 1 1520 . 1 1 113 113 TYR HA H 1 4.510 0.03 . 1 . . . . 572 . . . 6236 1 1521 . 1 1 113 113 TYR CB C 13 38.300 0.12 . 1 . . . . 572 . . . 6236 1 1522 . 1 1 113 113 TYR HB2 H 1 3.010 0.03 . 2 . . . . 572 . . . 6236 1 1523 . 1 1 113 113 TYR HB3 H 1 2.890 0.03 . 2 . . . . 572 . . . 6236 1 1524 . 1 1 113 113 TYR CD1 C 13 133.000 0.12 . 9 . . . . 572 . . . 6236 1 1525 . 1 1 113 113 TYR HD1 H 1 7.010 0.03 . 9 . . . . 572 . . . 6236 1 1526 . 1 1 113 113 TYR CE1 C 13 118.100 0.12 . 9 . . . . 572 . . . 6236 1 1527 . 1 1 113 113 TYR HE1 H 1 6.760 0.03 . 9 . . . . 572 . . . 6236 1 1528 . 1 1 113 113 TYR CE2 C 13 118.100 0.12 . 9 . . . . 572 . . . 6236 1 1529 . 1 1 113 113 TYR HE2 H 1 6.760 0.03 . 9 . . . . 572 . . . 6236 1 1530 . 1 1 113 113 TYR CD2 C 13 133.000 0.12 . 9 . . . . 572 . . . 6236 1 1531 . 1 1 113 113 TYR HD2 H 1 7.010 0.03 . 9 . . . . 572 . . . 6236 1 1532 . 1 1 113 113 TYR C C 13 174.720 0.12 . 1 . . . . 572 . . . 6236 1 1533 . 1 1 114 114 SER N N 15 116.700 0.15 . 1 . . . . 573 . . . 6236 1 1534 . 1 1 114 114 SER H H 1 8.030 0.03 . 1 . . . . 573 . . . 6236 1 1535 . 1 1 114 114 SER CA C 13 57.900 0.12 . 1 . . . . 573 . . . 6236 1 1536 . 1 1 114 114 SER HA H 1 4.360 0.03 . 1 . . . . 573 . . . 6236 1 1537 . 1 1 114 114 SER CB C 13 63.800 0.12 . 1 . . . . 573 . . . 6236 1 1538 . 1 1 114 114 SER HB2 H 1 3.810 0.03 . 2 . . . . 573 . . . 6236 1 1539 . 1 1 114 114 SER HB3 H 1 3.720 0.03 . 2 . . . . 573 . . . 6236 1 1540 . 1 1 114 114 SER C C 13 175.490 0.12 . 1 . . . . 573 . . . 6236 1 1541 . 1 1 115 115 ASP N N 15 122.200 0.15 . 1 . . . . 574 . . . 6236 1 1542 . 1 1 115 115 ASP H H 1 8.190 0.03 . 1 . . . . 574 . . . 6236 1 1543 . 1 1 115 115 ASP CA C 13 54.300 0.12 . 1 . . . . 574 . . . 6236 1 1544 . 1 1 115 115 ASP HA H 1 4.620 0.03 . 1 . . . . 574 . . . 6236 1 1545 . 1 1 115 115 ASP CB C 13 41.236 0.12 . 1 . . . . 574 . . . 6236 1 1546 . 1 1 115 115 ASP HB2 H 1 2.670 0.03 . 2 . . . . 574 . . . 6236 1 1547 . 1 1 115 115 ASP HB3 H 1 2.580 0.03 . 2 . . . . 574 . . . 6236 1 1548 . 1 1 115 115 ASP C C 13 173.750 0.12 . 1 . . . . 574 . . . 6236 1 1549 . 1 1 116 116 ASP N N 15 120.500 0.15 . 1 . . . . 575 . . . 6236 1 1550 . 1 1 116 116 ASP H H 1 8.200 0.03 . 1 . . . . 575 . . . 6236 1 1551 . 1 1 116 116 ASP CA C 13 54.400 0.12 . 1 . . . . 575 . . . 6236 1 1552 . 1 1 116 116 ASP HA H 1 4.620 0.03 . 1 . . . . 575 . . . 6236 1 1553 . 1 1 116 116 ASP CB C 13 41.100 0.12 . 1 . . . . 575 . . . 6236 1 1554 . 1 1 116 116 ASP HB2 H 1 2.550 0.03 . 2 . . . . 575 . . . 6236 1 1555 . 1 1 116 116 ASP HB3 H 1 2.690 0.03 . 2 . . . . 575 . . . 6236 1 1556 . 1 1 116 116 ASP C C 13 175.470 0.12 . 1 . . . . 575 . . . 6236 1 1557 . 1 1 117 117 VAL N N 15 123.168 0.15 . 1 . . . . 576 . . . 6236 1 1558 . 1 1 117 117 VAL H H 1 7.514 0.03 . 1 . . . . 576 . . . 6236 1 1559 . 1 1 117 117 VAL CA C 13 63.360 0.12 . 1 . . . . 576 . . . 6236 1 1560 . 1 1 117 117 VAL HA H 1 3.990 0.03 . 1 . . . . 576 . . . 6236 1 1561 . 1 1 117 117 VAL CB C 13 33.000 0.12 . 1 . . . . 576 . . . 6236 1 1562 . 1 1 117 117 VAL HB H 1 2.010 0.03 . 9 . . . . 576 . . . 6236 1 1563 . 1 1 117 117 VAL CG2 C 13 20.100 0.12 . 9 . . . . 576 . . . 6236 1 1564 . 1 1 117 117 VAL HG21 H 1 0.770 0.03 . 9 . . . . 576 . . . 6236 1 1565 . 1 1 117 117 VAL HG22 H 1 0.770 0.03 . 9 . . . . 576 . . . 6236 1 1566 . 1 1 117 117 VAL HG23 H 1 0.770 0.03 . 9 . . . . 576 . . . 6236 1 1567 . 1 1 117 117 VAL CG1 C 13 21.600 0.12 . 9 . . . . 576 . . . 6236 1 1568 . 1 1 117 117 VAL HG11 H 1 0.790 0.03 . 9 . . . . 576 . . . 6236 1 1569 . 1 1 117 117 VAL HG12 H 1 0.790 0.03 . 9 . . . . 576 . . . 6236 1 1570 . 1 1 117 117 VAL HG13 H 1 0.790 0.03 . 9 . . . . 576 . . . 6236 1 1571 . 1 1 117 117 VAL C C 13 175.000 0.12 . 1 . . . . 576 . . . 6236 1 stop_ save_