data_19213 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19213 _Entry.Title ; Blue Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-01 _Entry.Accession_date 2013-05-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Pb state' _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 Gabriel Cornilescu . . . 19213 2 Claudia Cornilescu . C. . 19213 3 Sethe Burgie . E. . 19213 4 Joseph Walker . M. . 19213 5 John Markley . L. . 19213 6 Andrew Ulijasz . T. . 19213 7 Richard Vierstra . D. . 19213 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19213 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'blue/green light-absorbing' . 19213 cyanobacteria . 19213 phycoviolobilin . 19213 phytochrome . 19213 PixJ . 19213 PVB . 19213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 645 19213 '15N chemical shifts' 171 19213 '1H chemical shifts' 989 19213 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 2 . . 2014-02-05 2013-05-01 update BMRB 'update entry citation' 19213 1 . . 2014-01-02 2013-05-01 original author 'original release' 19213 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19214 'Green Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain' 19213 PDB 4FOF 'Pb state of TePixJ(GAF) solved to 2.45 A resolution' 19213 PDB 4GLQ 'Pb state of TePixJ(GAF) solved to 1.77 A resolution' 19213 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19213 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24337572 _Citation.Full_citation . _Citation.Title 'Dynamic Structural Changes Underpin Photoconversion of a Blue/Green Cyanobacteriochrome between Its Dark and Photoactivated States.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 5 _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 3055 _Citation.Page_last 3065 _Citation.Year 2014 _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 Claudia Cornilescu . C. . 19213 1 2 Gabriel Cornilescu . . . 19213 1 3 'E. Sethe' Burgie . . . 19213 1 4 John Markley . L. . 19213 1 5 Andrew Ulijasz . T. . 19213 1 6 Richard Vierstra . D. . 19213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19213 _Assembly.ID 1 _Assembly.Name TePixJ _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 TePixJ 1 $TePixJ A . yes native no no . . . 19213 1 2 PHYCOVIOLOBILIN 2 $entity_PVN B . no native no no . . . 19213 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 TePixJ 1 CYS 66 66 SG . 2 entity_PVN 2 PVN 1 1 C16 . TePixJ 494 CYS SG . entity_PVN 1 PVN C16 19213 1 2 coordination single . 1 TePixJ 1 CYS 94 94 SG . 2 entity_PVN 2 PVN 1 1 C02 . TePixJ 522 CYS SG . entity_PVN 1 PVN C02 19213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TePixJ _Entity.Sf_category entity _Entity.Sf_framecode TePixJ _Entity.Entry_ID 19213 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TePixJ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAVQLSELRDRQAIFETLV AKGRELLACDRVIVYAFDDN YVGTVVAESVAEGWPQARDQ VIEDPCFREHWVEAYRQGRI QATTDIFKAGLTECHLNQLR PLKVRANLVVPMVIDDQLFG LLIAHQASEPRQWQEIEIDQ FSELASTGSLVLERLHFLEQ TIASL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18769.467 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 19214 . entity_1 . . . . . 100.00 165 100.00 100.00 1.30e-115 . . . . 19213 1 2 no PDB 2M7U . "Blue Light-absorbing State Of Tepixj, An Active Cyanobacteriochrome Domain" . . . . . 100.00 165 100.00 100.00 1.30e-115 . . . . 19213 1 3 no PDB 2M7V . "Green Light-absorbing State Of Tepixj, An Active Cyanobacteriochrome Domain" . . . . . 100.00 165 100.00 100.00 1.30e-115 . . . . 19213 1 4 no PDB 3VV4 . "Crystal Structure Of Cyanobacteriochrome Tepixj Gaf Domain" . . . . . 98.79 196 99.39 99.39 3.74e-113 . . . . 19213 1 5 no PDB 4FOF . "Crystal Structure Of The Blue-light Absorbing Form Of The Thermosynechococcus Elongatus Pixj Gaf-domain" . . . . . 100.00 171 100.00 100.00 1.88e-115 . . . . 19213 1 6 no PDB 4GLQ . "Crystal Structure Of The Blue-light Absorbing Form Of The Thermosynechococcus Elongatus Pixj Gaf-domain" . . . . . 100.00 171 100.00 100.00 1.88e-115 . . . . 19213 1 7 no DBJ BAC08121 . "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus BP-1]" . . . . . 98.79 940 98.77 99.39 5.38e-108 . . . . 19213 1 8 no REF NP_681359 . "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus BP-1]" . . . . . 98.79 940 98.77 99.39 5.38e-108 . . . . 19213 1 9 no REF WP_011056417 . "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus]" . . . . . 98.79 940 98.77 99.39 5.38e-108 . . . . 19213 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 1 429 MET . 19213 1 2 430 ALA . 19213 1 3 431 ALA . 19213 1 4 432 VAL . 19213 1 5 433 GLN . 19213 1 6 434 LEU . 19213 1 7 435 SER . 19213 1 8 436 GLU . 19213 1 9 437 LEU . 19213 1 10 438 ARG . 19213 1 11 439 ASP . 19213 1 12 440 ARG . 19213 1 13 441 GLN . 19213 1 14 442 ALA . 19213 1 15 443 ILE . 19213 1 16 444 PHE . 19213 1 17 445 GLU . 19213 1 18 446 THR . 19213 1 19 447 LEU . 19213 1 20 448 VAL . 19213 1 21 449 ALA . 19213 1 22 450 LYS . 19213 1 23 451 GLY . 19213 1 24 452 ARG . 19213 1 25 453 GLU . 19213 1 26 454 LEU . 19213 1 27 455 LEU . 19213 1 28 456 ALA . 19213 1 29 457 CYS . 19213 1 30 458 ASP . 19213 1 31 459 ARG . 19213 1 32 460 VAL . 19213 1 33 461 ILE . 19213 1 34 462 VAL . 19213 1 35 463 TYR . 19213 1 36 464 ALA . 19213 1 37 465 PHE . 19213 1 38 466 ASP . 19213 1 39 467 ASP . 19213 1 40 468 ASN . 19213 1 41 469 TYR . 19213 1 42 470 VAL . 19213 1 43 471 GLY . 19213 1 44 472 THR . 19213 1 45 473 VAL . 19213 1 46 474 VAL . 19213 1 47 475 ALA . 19213 1 48 476 GLU . 19213 1 49 477 SER . 19213 1 50 478 VAL . 19213 1 51 479 ALA . 19213 1 52 480 GLU . 19213 1 53 481 GLY . 19213 1 54 482 TRP . 19213 1 55 483 PRO . 19213 1 56 484 GLN . 19213 1 57 485 ALA . 19213 1 58 486 ARG . 19213 1 59 487 ASP . 19213 1 60 488 GLN . 19213 1 61 489 VAL . 19213 1 62 490 ILE . 19213 1 63 491 GLU . 19213 1 64 492 ASP . 19213 1 65 493 PRO . 19213 1 66 494 CYS . 19213 1 67 495 PHE . 19213 1 68 496 ARG . 19213 1 69 497 GLU . 19213 1 70 498 HIS . 19213 1 71 499 TRP . 19213 1 72 500 VAL . 19213 1 73 501 GLU . 19213 1 74 502 ALA . 19213 1 75 503 TYR . 19213 1 76 504 ARG . 19213 1 77 505 GLN . 19213 1 78 506 GLY . 19213 1 79 507 ARG . 19213 1 80 508 ILE . 19213 1 81 509 GLN . 19213 1 82 510 ALA . 19213 1 83 511 THR . 19213 1 84 512 THR . 19213 1 85 513 ASP . 19213 1 86 514 ILE . 19213 1 87 515 PHE . 19213 1 88 516 LYS . 19213 1 89 517 ALA . 19213 1 90 518 GLY . 19213 1 91 519 LEU . 19213 1 92 520 THR . 19213 1 93 521 GLU . 19213 1 94 522 CYS . 19213 1 95 523 HIS . 19213 1 96 524 LEU . 19213 1 97 525 ASN . 19213 1 98 526 GLN . 19213 1 99 527 LEU . 19213 1 100 528 ARG . 19213 1 101 529 PRO . 19213 1 102 530 LEU . 19213 1 103 531 LYS . 19213 1 104 532 VAL . 19213 1 105 533 ARG . 19213 1 106 534 ALA . 19213 1 107 535 ASN . 19213 1 108 536 LEU . 19213 1 109 537 VAL . 19213 1 110 538 VAL . 19213 1 111 539 PRO . 19213 1 112 540 MET . 19213 1 113 541 VAL . 19213 1 114 542 ILE . 19213 1 115 543 ASP . 19213 1 116 544 ASP . 19213 1 117 545 GLN . 19213 1 118 546 LEU . 19213 1 119 547 PHE . 19213 1 120 548 GLY . 19213 1 121 549 LEU . 19213 1 122 550 LEU . 19213 1 123 551 ILE . 19213 1 124 552 ALA . 19213 1 125 553 HIS . 19213 1 126 554 GLN . 19213 1 127 555 ALA . 19213 1 128 556 SER . 19213 1 129 557 GLU . 19213 1 130 558 PRO . 19213 1 131 559 ARG . 19213 1 132 560 GLN . 19213 1 133 561 TRP . 19213 1 134 562 GLN . 19213 1 135 563 GLU . 19213 1 136 564 ILE . 19213 1 137 565 GLU . 19213 1 138 566 ILE . 19213 1 139 567 ASP . 19213 1 140 568 GLN . 19213 1 141 569 PHE . 19213 1 142 570 SER . 19213 1 143 571 GLU . 19213 1 144 572 LEU . 19213 1 145 573 ALA . 19213 1 146 574 SER . 19213 1 147 575 THR . 19213 1 148 576 GLY . 19213 1 149 577 SER . 19213 1 150 578 LEU . 19213 1 151 579 VAL . 19213 1 152 580 LEU . 19213 1 153 581 GLU . 19213 1 154 582 ARG . 19213 1 155 583 LEU . 19213 1 156 584 HIS . 19213 1 157 585 PHE . 19213 1 158 586 LEU . 19213 1 159 587 GLU . 19213 1 160 588 GLN . 19213 1 161 589 THR . 19213 1 162 590 ILE . 19213 1 163 591 ALA . 19213 1 164 592 SER . 19213 1 165 593 LEU . 19213 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 . MET 1 1 19213 1 . ALA 2 2 19213 1 . ALA 3 3 19213 1 . VAL 4 4 19213 1 . GLN 5 5 19213 1 . LEU 6 6 19213 1 . SER 7 7 19213 1 . GLU 8 8 19213 1 . LEU 9 9 19213 1 . ARG 10 10 19213 1 . ASP 11 11 19213 1 . ARG 12 12 19213 1 . GLN 13 13 19213 1 . ALA 14 14 19213 1 . ILE 15 15 19213 1 . PHE 16 16 19213 1 . GLU 17 17 19213 1 . THR 18 18 19213 1 . LEU 19 19 19213 1 . VAL 20 20 19213 1 . ALA 21 21 19213 1 . LYS 22 22 19213 1 . GLY 23 23 19213 1 . ARG 24 24 19213 1 . GLU 25 25 19213 1 . LEU 26 26 19213 1 . LEU 27 27 19213 1 . ALA 28 28 19213 1 . CYS 29 29 19213 1 . ASP 30 30 19213 1 . ARG 31 31 19213 1 . VAL 32 32 19213 1 . ILE 33 33 19213 1 . VAL 34 34 19213 1 . TYR 35 35 19213 1 . ALA 36 36 19213 1 . PHE 37 37 19213 1 . ASP 38 38 19213 1 . ASP 39 39 19213 1 . ASN 40 40 19213 1 . TYR 41 41 19213 1 . VAL 42 42 19213 1 . GLY 43 43 19213 1 . THR 44 44 19213 1 . VAL 45 45 19213 1 . VAL 46 46 19213 1 . ALA 47 47 19213 1 . GLU 48 48 19213 1 . SER 49 49 19213 1 . VAL 50 50 19213 1 . ALA 51 51 19213 1 . GLU 52 52 19213 1 . GLY 53 53 19213 1 . TRP 54 54 19213 1 . PRO 55 55 19213 1 . GLN 56 56 19213 1 . ALA 57 57 19213 1 . ARG 58 58 19213 1 . ASP 59 59 19213 1 . GLN 60 60 19213 1 . VAL 61 61 19213 1 . ILE 62 62 19213 1 . GLU 63 63 19213 1 . ASP 64 64 19213 1 . PRO 65 65 19213 1 . CYS 66 66 19213 1 . PHE 67 67 19213 1 . ARG 68 68 19213 1 . GLU 69 69 19213 1 . HIS 70 70 19213 1 . TRP 71 71 19213 1 . VAL 72 72 19213 1 . GLU 73 73 19213 1 . ALA 74 74 19213 1 . TYR 75 75 19213 1 . ARG 76 76 19213 1 . GLN 77 77 19213 1 . GLY 78 78 19213 1 . ARG 79 79 19213 1 . ILE 80 80 19213 1 . GLN 81 81 19213 1 . ALA 82 82 19213 1 . THR 83 83 19213 1 . THR 84 84 19213 1 . ASP 85 85 19213 1 . ILE 86 86 19213 1 . PHE 87 87 19213 1 . LYS 88 88 19213 1 . ALA 89 89 19213 1 . GLY 90 90 19213 1 . LEU 91 91 19213 1 . THR 92 92 19213 1 . GLU 93 93 19213 1 . CYS 94 94 19213 1 . HIS 95 95 19213 1 . LEU 96 96 19213 1 . ASN 97 97 19213 1 . GLN 98 98 19213 1 . LEU 99 99 19213 1 . ARG 100 100 19213 1 . PRO 101 101 19213 1 . LEU 102 102 19213 1 . LYS 103 103 19213 1 . VAL 104 104 19213 1 . ARG 105 105 19213 1 . ALA 106 106 19213 1 . ASN 107 107 19213 1 . LEU 108 108 19213 1 . VAL 109 109 19213 1 . VAL 110 110 19213 1 . PRO 111 111 19213 1 . MET 112 112 19213 1 . VAL 113 113 19213 1 . ILE 114 114 19213 1 . ASP 115 115 19213 1 . ASP 116 116 19213 1 . GLN 117 117 19213 1 . LEU 118 118 19213 1 . PHE 119 119 19213 1 . GLY 120 120 19213 1 . LEU 121 121 19213 1 . LEU 122 122 19213 1 . ILE 123 123 19213 1 . ALA 124 124 19213 1 . HIS 125 125 19213 1 . GLN 126 126 19213 1 . ALA 127 127 19213 1 . SER 128 128 19213 1 . GLU 129 129 19213 1 . PRO 130 130 19213 1 . ARG 131 131 19213 1 . GLN 132 132 19213 1 . TRP 133 133 19213 1 . GLN 134 134 19213 1 . GLU 135 135 19213 1 . ILE 136 136 19213 1 . GLU 137 137 19213 1 . ILE 138 138 19213 1 . ASP 139 139 19213 1 . GLN 140 140 19213 1 . PHE 141 141 19213 1 . SER 142 142 19213 1 . GLU 143 143 19213 1 . LEU 144 144 19213 1 . ALA 145 145 19213 1 . SER 146 146 19213 1 . THR 147 147 19213 1 . GLY 148 148 19213 1 . SER 149 149 19213 1 . LEU 150 150 19213 1 . VAL 151 151 19213 1 . LEU 152 152 19213 1 . GLU 153 153 19213 1 . ARG 154 154 19213 1 . LEU 155 155 19213 1 . HIS 156 156 19213 1 . PHE 157 157 19213 1 . LEU 158 158 19213 1 . GLU 159 159 19213 1 . GLN 160 160 19213 1 . THR 161 161 19213 1 . ILE 162 162 19213 1 . ALA 163 163 19213 1 . SER 164 164 19213 1 . LEU 165 165 19213 1 stop_ save_ save_entity_PVN _Entity.Sf_category entity _Entity.Sf_framecode entity_PVN _Entity.Entry_ID 19213 _Entity.ID 2 _Entity.BMRB_code PVN _Entity.Name PHYCOVIOLOBILIN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 PVN _Entity.Nonpolymer_comp_label $chem_comp_PVN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 588.694 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PHYCOVIOLOBILIN BMRB 19213 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID PHYCOVIOLOBILIN BMRB 19213 2 PVN 'Three letter code' 19213 2 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 1 PVN $chem_comp_PVN 19213 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 PVN C1 19213 2 2 1 PVN C10 19213 2 3 1 PVN C11 19213 2 4 1 PVN C12 19213 2 5 1 PVN C13 19213 2 6 1 PVN C14 19213 2 7 1 PVN C15 19213 2 8 1 PVN C16 19213 2 9 1 PVN C17 19213 2 10 1 PVN C18 19213 2 11 1 PVN C19 19213 2 12 1 PVN C2 19213 2 13 1 PVN C21 19213 2 14 1 PVN C3 19213 2 15 1 PVN C31 19213 2 16 1 PVN C32 19213 2 17 1 PVN C4 19213 2 18 1 PVN C41 19213 2 19 1 PVN C5 19213 2 20 1 PVN C51 19213 2 21 1 PVN C52 19213 2 22 1 PVN C53 19213 2 23 1 PVN C6 19213 2 24 1 PVN C61 19213 2 25 1 PVN C62 19213 2 26 1 PVN C63 19213 2 27 1 PVN C7 19213 2 28 1 PVN C71 19213 2 29 1 PVN C8 19213 2 30 1 PVN C81 19213 2 31 1 PVN C9 19213 2 32 1 PVN C91 19213 2 33 1 PVN C92 19213 2 34 1 PVN H101 19213 2 35 1 PVN H151 19213 2 36 1 PVN H211 19213 2 37 1 PVN H212 19213 2 38 1 PVN H213 19213 2 39 1 PVN H31 19213 2 40 1 PVN H321 19213 2 41 1 PVN H322 19213 2 42 1 PVN H323 19213 2 43 1 PVN H411 19213 2 44 1 PVN H412 19213 2 45 1 PVN H413 19213 2 46 1 PVN H511 19213 2 47 1 PVN H512 19213 2 48 1 PVN H521 19213 2 49 1 PVN H522 19213 2 50 1 PVN H54 19213 2 51 1 PVN H5C1 19213 2 52 1 PVN H5C2 19213 2 53 1 PVN H611 19213 2 54 1 PVN H612 19213 2 55 1 PVN H621 19213 2 56 1 PVN H622 19213 2 57 1 PVN H65 19213 2 58 1 PVN H711 19213 2 59 1 PVN H712 19213 2 60 1 PVN H713 19213 2 61 1 PVN H811 19213 2 62 1 PVN H812 19213 2 63 1 PVN H813 19213 2 64 1 PVN H911 19213 2 65 1 PVN H912 19213 2 66 1 PVN H921 19213 2 67 1 PVN H922 19213 2 68 1 PVN H923 19213 2 69 1 PVN HC4 19213 2 70 1 PVN HN1 19213 2 71 1 PVN HN2 19213 2 72 1 PVN HN4 19213 2 73 1 PVN HXT 19213 2 74 1 PVN N1 19213 2 75 1 PVN N2 19213 2 76 1 PVN N3 19213 2 77 1 PVN N4 19213 2 78 1 PVN O1 19213 2 79 1 PVN O19 19213 2 80 1 PVN O54 19213 2 81 1 PVN O55 19213 2 82 1 PVN O64 19213 2 83 1 PVN O65 19213 2 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 19213 _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 $TePixJ . 146786 organism . 'Thermosynechococcus elongatus' Cyanobacteria . . Bacteria . Thermosynechococcus elongatus BP-1 . . . . . . . . . . . . . . . tll0569 . C555A . . 19213 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 19213 _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 $TePixJ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pBAD-Myc-His . . . . . . 19213 1 2 2 $entity_PVN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ALA . . . . . . 19213 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PVN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PVN _Chem_comp.Entry_ID 19213 _Chem_comp.ID PVN _Chem_comp.Provenance PDB _Chem_comp.Name PHYCOVIOLOBILIN _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PVN _Chem_comp.PDB_code PVN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PVN _Chem_comp.Number_atoms_all 83 _Chem_comp.Number_atoms_nh 43 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'Phycoviolobilin, bound form' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C33 H40 N4 O6' _Chem_comp.Formula_weight 588.694 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2J96 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC1=C(C)C(=O)N[C@@H]1Cc2[nH]c(\C=C\3N=C(\C=C/4NC(=O)C(=C/4C)CC)C(=C\3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES_CANONICAL CACTVS 3.370 19213 PVN CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES CACTVS 3.370 19213 PVN CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C SMILES 'OpenEye OEToolkits' 1.7.6 19213 PVN CCC1=C(C(=O)N[C@@H]1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 19213 PVN InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1 InChI InChI 1.03 19213 PVN SYEAKBPGLNVPDH-HVONXEAXSA-N InChIKey InChI 1.03 19213 PVN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 19213 PVN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C31 C31 C31 C31 . C . . N 0 . . . 1 no no . . . . -24.875 . 15.221 . -3.833 . -5.821 2.758 -0.135 1 . 19213 PVN C32 C32 C32 C32 . C . . N 0 . . . 1 no no . . . . -24.306 . 14.331 . -4.946 . -6.085 1.568 0.789 2 . 19213 PVN C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -26.110 . 16.059 . -4.362 . -4.792 2.374 -1.167 3 . 19213 PVN C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -26.081 . 17.051 . -5.300 . -5.033 1.931 -2.397 4 . 19213 PVN C21 C21 C21 C21 . C . . N 0 . . . 1 no no . . . . -24.894 . 17.618 . -6.084 . -6.403 1.729 -2.992 5 . 19213 PVN C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -27.494 . 17.517 . -5.444 . -3.766 1.668 -3.088 6 . 19213 PVN O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -27.835 . 18.394 . -6.196 . -3.666 1.255 -4.227 7 . 19213 PVN N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . -28.318 . 16.832 . -4.629 . -2.731 1.953 -2.275 8 . 19213 PVN C4 C4 C4 C4 . C . . R 0 . . . 1 no no . . . . -27.571 . 15.897 . -3.896 . -3.291 2.426 -1.002 9 . 19213 PVN C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -27.812 . 15.921 . -2.400 . -2.853 1.504 0.138 10 . 19213 PVN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -29.180 . 15.480 . -1.920 . -1.375 1.669 0.378 11 . 19213 PVN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . -30.332 . 16.270 . -1.856 . -0.799 2.679 1.086 12 . 19213 PVN C41 C41 C41 C41 . C . . N 0 . . . 1 no no . . . . -30.502 . 17.696 . -2.230 . -1.525 3.815 1.760 13 . 19213 PVN N2 N2 N2 N2 . N . . N 0 . . . 1 yes no . . . . -29.481 . 14.215 . -1.458 . -0.414 0.837 -0.070 14 . 19213 PVN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . -30.826 . 14.193 . -1.103 . 0.814 1.314 0.348 15 . 19213 PVN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . -31.366 . 15.464 . -1.357 . 0.577 2.480 1.080 16 . 19213 PVN C51 C51 C51 C51 . C . . N 0 . . . 1 no no . . . . -32.776 . 16.001 . -1.168 . 1.614 3.352 1.740 17 . 19213 PVN C52 C52 C52 C52 . C . . N 0 . . . 1 no no . . . . -32.981 . 16.702 . 0.183 . 1.857 2.864 3.169 18 . 19213 PVN C53 C53 C53 C53 . C . . N 0 . . . 1 no no . . . . -33.710 . 15.783 . 1.138 . 2.894 3.736 3.829 19 . 19213 PVN O54 O54 O54 O54 . O . . N 0 . . . 1 no no . . . . -34.682 . 15.095 . 0.708 . 3.268 3.493 5.095 20 . 19213 PVN O55 O55 O55 O55 . O . . N 0 . . . 1 no no . . . . -33.325 . 15.731 . 2.338 . 3.388 4.654 3.218 21 . 19213 PVN C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -31.554 . 13.075 . -0.569 . 2.060 0.737 0.090 22 . 19213 PVN C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -31.147 . 11.720 . -0.529 . 2.139 -0.596 -0.347 23 . 19213 PVN C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -31.970 . 10.640 . -0.083 . 3.281 -1.219 -0.907 24 . 19213 PVN C61 C61 C61 C61 . C . . N 0 . . . 1 no no . . . . -33.389 . 10.746 . 0.434 . 4.626 -0.584 -1.145 25 . 19213 PVN C62 C62 C62 C62 . C . . N 0 . . . 1 no no . . . . -33.579 . 10.249 . 1.884 . 4.616 0.144 -2.491 26 . 19213 PVN C63 C63 C63 C63 . C . . N 0 . . . 1 no no . . . . -32.642 . 10.935 . 2.827 . 5.961 0.779 -2.729 27 . 19213 PVN O64 O64 O64 O64 . O . . N 0 . . . 1 no no . . . . -32.952 . 12.084 . 3.247 . 6.839 0.663 -1.906 28 . 19213 PVN O65 O65 O65 O65 . O . . N 0 . . . 1 no no . . . . -31.573 . 10.341 . 3.149 . 6.185 1.475 -3.855 29 . 19213 PVN N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . -29.917 . 11.185 . -0.922 . 1.149 -1.497 -0.299 30 . 19213 PVN C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -29.975 . 9.852 . -0.745 . 1.578 -2.654 -0.795 31 . 19213 PVN C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -31.231 . 9.487 . -0.227 . 2.929 -2.501 -1.188 32 . 19213 PVN C71 C71 C71 C71 . C . . N 0 . . . 1 no no . . . . -31.671 . 8.078 . 0.093 . 3.810 -3.560 -1.799 33 . 19213 PVN C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -28.917 . 8.933 . -1.100 . 0.788 -3.877 -0.911 34 . 19213 PVN C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -28.563 . 8.516 . -2.421 . -0.049 -4.256 0.114 35 . 19213 PVN C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -29.381 . 8.562 . -3.629 . -0.981 -3.428 0.780 36 . 19213 PVN C81 C81 C81 C81 . C . . N 0 . . . 1 no no . . . . -30.773 . 9.061 . -3.785 . -1.240 -1.970 0.499 37 . 19213 PVN N4 N4 N4 N4 . N . . N 0 . . . 1 no no . . . . -27.308 . 7.963 . -2.727 . -0.137 -5.525 0.678 38 . 19213 PVN C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -27.346 . 7.677 . -4.065 . -1.069 -5.492 1.650 39 . 19213 PVN O19 O19 O19 O19 . O . . N 0 . . . 1 no no . . . . -26.411 . 7.175 . -4.688 . -1.400 -6.434 2.350 40 . 19213 PVN C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -28.593 . 8.029 . -4.656 . -1.601 -4.188 1.720 41 . 19213 PVN C91 C91 C91 C91 . C . . N 0 . . . 1 no no . . . . -28.984 . 7.853 . -6.128 . -2.673 -3.720 2.671 42 . 19213 PVN C92 C92 C92 C92 . C . . N 0 . . . 1 no no . . . . -29.121 . 6.370 . -6.503 . -4.049 -4.015 2.072 43 . 19213 PVN H321 H321 H321 H321 . H . . N 0 . . . 0 no no . . . . -25.084 . 13.636 . -5.293 . -5.159 1.283 1.288 44 . 19213 PVN H322 H322 H322 H322 . H . . N 0 . . . 0 no no . . . . -23.975 . 14.960 . -5.785 . -6.829 1.846 1.536 45 . 19213 PVN HC4 HC4 HC4 HC4 . H . . N 0 . . . 1 no no . . . . -27.880 . 14.897 . -4.234 . -2.969 3.448 -0.805 46 . 19213 PVN H211 H211 H211 H211 . H . . N 0 . . . 0 no no . . . . -24.429 . 16.816 . -6.676 . -7.109 1.475 -2.201 47 . 19213 PVN H212 H212 H212 H212 . H . . N 0 . . . 0 no no . . . . -25.245 . 18.414 . -6.757 . -6.723 2.646 -3.486 48 . 19213 PVN H213 H213 H213 H213 . H . . N 0 . . . 0 no no . . . . -24.155 . 18.031 . -5.382 . -6.366 0.918 -3.720 49 . 19213 PVN HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . -29.306 . 16.968 . -4.557 . -1.790 1.865 -2.492 50 . 19213 PVN H5C1 H5C1 H5C1 H5C1 . H . . N 0 . . . 0 no no . . . . -27.655 . 16.953 . -2.054 . -3.400 1.764 1.045 51 . 19213 PVN H5C2 H5C2 H5C2 H5C2 . H . . N 0 . . . 0 no no . . . . -27.067 . 15.261 . -1.932 . -3.065 0.469 -0.130 52 . 19213 PVN HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . -28.843 . 13.448 . -1.390 . -0.559 0.036 -0.597 53 . 19213 PVN H411 H411 H411 H411 . H . . N 0 . . . 0 no no . . . . -30.791 . 17.766 . -3.289 . -1.778 3.530 2.781 54 . 19213 PVN H412 H412 H412 H412 . H . . N 0 . . . 0 no no . . . . -31.287 . 18.148 . -1.605 . -0.885 4.697 1.777 55 . 19213 PVN H413 H413 H413 H413 . H . . N 0 . . . 0 no no . . . . -29.554 . 18.232 . -2.072 . -2.439 4.039 1.209 56 . 19213 PVN H101 H101 H101 H101 . H . . N 0 . . . 0 no no . . . . -32.525 . 13.294 . -0.149 . 2.962 1.315 0.225 57 . 19213 PVN H511 H511 H511 H511 . H . . N 0 . . . 0 no no . . . . -32.986 . 16.722 . -1.971 . 2.545 3.300 1.175 58 . 19213 PVN H512 H512 H512 H512 . H . . N 0 . . . 0 no no . . . . -33.482 . 15.160 . -1.236 . 1.260 4.383 1.763 59 . 19213 PVN H521 H521 H521 H521 . H . . N 0 . . . 0 no no . . . . -33.574 . 17.616 . 0.033 . 0.926 2.915 3.734 60 . 19213 PVN H522 H522 H522 H522 . H . . N 0 . . . 0 no no . . . . -32.002 . 16.967 . 0.608 . 2.211 1.833 3.146 61 . 19213 PVN H54 H54 H54 H54 . H . . N 0 . . . 1 no no . . . . -35.037 . 14.571 . 1.416 . 3.936 4.079 5.475 62 . 19213 PVN H611 H611 H611 H611 . H . . N 0 . . . 0 no no . . . . -33.693 . 11.802 . 0.390 . 4.837 0.130 -0.348 63 . 19213 PVN H612 H612 H612 H612 . H . . N 0 . . . 0 no no . . . . -34.040 . 10.149 . -0.222 . 5.396 -1.355 -1.155 64 . 19213 PVN H621 H621 H621 H621 . H . . N 0 . . . 0 no no . . . . -34.614 . 10.451 . 2.198 . 4.405 -0.570 -3.288 65 . 19213 PVN H622 H622 H622 H622 . H . . N 0 . . . 0 no no . . . . -33.390 . 9.166 . 1.918 . 3.846 0.915 -2.481 66 . 19213 PVN H65 H65 H65 H65 . H . . N 0 . . . 1 no no . . . . -31.069 . 10.891 . 3.737 . 7.064 1.865 -3.963 67 . 19213 PVN H151 H151 H151 H151 . H . . N 0 . . . 0 no no . . . . -28.337 . 8.521 . -0.287 . 0.861 -4.485 -1.801 68 . 19213 PVN H711 H711 H711 H711 . H . . N 0 . . . 0 no no . . . . -31.931 . 8.009 . 1.160 . 3.199 -4.253 -2.377 69 . 19213 PVN H712 H712 H712 H712 . H . . N 0 . . . 0 no no . . . . -32.550 . 7.821 . -0.516 . 4.544 -3.089 -2.454 70 . 19213 PVN H713 H713 H713 H713 . H . . N 0 . . . 0 no no . . . . -30.853 . 7.378 . -0.131 . 4.326 -4.104 -1.008 71 . 19213 PVN HN4 HN4 HN4 HN4 . H . . N 0 . . . 1 no no . . . . -26.546 . 7.810 . -2.098 . 0.384 -6.300 0.417 72 . 19213 PVN H811 H811 H811 H811 . H . . N 0 . . . 0 no no . . . . -31.088 . 8.950 . -4.833 . -0.619 -1.645 -0.336 73 . 19213 PVN H812 H812 H812 H812 . H . . N 0 . . . 0 no no . . . . -31.445 . 8.480 . -3.137 . -2.291 -1.830 0.246 74 . 19213 PVN H813 H813 H813 H813 . H . . N 0 . . . 0 no no . . . . -30.816 . 10.123 . -3.500 . -0.997 -1.381 1.383 75 . 19213 PVN H911 H911 H911 H911 . H . . N 0 . . . 0 no no . . . . -29.946 . 8.356 . -6.304 . -2.570 -4.244 3.621 76 . 19213 PVN H912 H912 H912 H912 . H . . N 0 . . . 0 no no . . . . -28.209 . 8.311 . -6.760 . -2.570 -2.647 2.834 77 . 19213 PVN H921 H921 H921 H921 . H . . N 0 . . . 0 no no . . . . -29.402 . 6.284 . -7.563 . -4.187 -5.093 1.990 78 . 19213 PVN H922 H922 H922 H922 . H . . N 0 . . . 0 no no . . . . -28.161 . 5.859 . -6.335 . -4.823 -3.598 2.717 79 . 19213 PVN H923 H923 H923 H923 . H . . N 0 . . . 0 no no . . . . -29.898 . 5.904 . -5.879 . -4.120 -3.563 1.082 80 . 19213 PVN H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -25.201 . 14.587 . -2.995 . -6.747 3.043 -0.634 81 . 19213 PVN H323 H323 H323 H323 . H . . N 0 . . . 0 no no . . . . -23.451 . 13.759 . -4.557 . -6.455 0.728 0.203 82 . 19213 PVN HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -24.092 . 15.912 . -3.487 . -5.450 3.599 0.451 83 . 19213 PVN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C31 C32 no N 1 . 19213 PVN 2 . SING C31 C3 no N 2 . 19213 PVN 3 . SING C31 H31 no N 3 . 19213 PVN 4 . SING C31 HXT no N 4 . 19213 PVN 5 . SING C32 H323 no N 5 . 19213 PVN 6 . SING C32 H321 no N 6 . 19213 PVN 7 . SING C32 H322 no N 7 . 19213 PVN 8 . SING C3 C4 no N 8 . 19213 PVN 9 . DOUB C3 C2 no N 9 . 19213 PVN 10 . SING C2 C21 no N 10 . 19213 PVN 11 . SING C2 C1 no N 11 . 19213 PVN 12 . SING C21 H212 no N 12 . 19213 PVN 13 . SING C21 H213 no N 13 . 19213 PVN 14 . SING C21 H211 no N 14 . 19213 PVN 15 . DOUB C1 O1 no N 15 . 19213 PVN 16 . SING C1 N1 no N 16 . 19213 PVN 17 . SING N1 C4 no N 17 . 19213 PVN 18 . SING N1 HN1 no N 18 . 19213 PVN 19 . SING C4 C5 no N 19 . 19213 PVN 20 . SING C4 HC4 no N 20 . 19213 PVN 21 . SING C5 C6 no N 21 . 19213 PVN 22 . SING C5 H5C2 no N 22 . 19213 PVN 23 . SING C5 H5C1 no N 23 . 19213 PVN 24 . DOUB C6 C7 yes N 24 . 19213 PVN 25 . SING C6 N2 yes N 25 . 19213 PVN 26 . SING C7 C41 no N 26 . 19213 PVN 27 . SING C7 C8 yes N 27 . 19213 PVN 28 . SING C41 H411 no N 28 . 19213 PVN 29 . SING C41 H412 no N 29 . 19213 PVN 30 . SING C41 H413 no N 30 . 19213 PVN 31 . SING N2 C9 yes N 31 . 19213 PVN 32 . SING N2 HN2 no N 32 . 19213 PVN 33 . DOUB C9 C8 yes N 33 . 19213 PVN 34 . SING C9 C10 no N 34 . 19213 PVN 35 . SING C8 C51 no N 35 . 19213 PVN 36 . SING C51 C52 no N 36 . 19213 PVN 37 . SING C51 H511 no N 37 . 19213 PVN 38 . SING C51 H512 no N 38 . 19213 PVN 39 . SING C52 C53 no N 39 . 19213 PVN 40 . SING C52 H522 no N 40 . 19213 PVN 41 . SING C52 H521 no N 41 . 19213 PVN 42 . SING C53 O54 no N 42 . 19213 PVN 43 . DOUB C53 O55 no N 43 . 19213 PVN 44 . SING O54 H54 no N 44 . 19213 PVN 45 . DOUB C10 C11 no Z 45 . 19213 PVN 46 . SING C10 H101 no N 46 . 19213 PVN 47 . SING C11 C12 no N 47 . 19213 PVN 48 . SING C11 N3 no N 48 . 19213 PVN 49 . SING C12 C61 no N 49 . 19213 PVN 50 . DOUB C12 C13 no N 50 . 19213 PVN 51 . SING C61 H611 no N 51 . 19213 PVN 52 . SING C61 H612 no N 52 . 19213 PVN 53 . SING C61 C62 no N 53 . 19213 PVN 54 . SING C62 H621 no N 54 . 19213 PVN 55 . SING C62 H622 no N 55 . 19213 PVN 56 . SING C62 C63 no N 56 . 19213 PVN 57 . SING C63 O65 no N 57 . 19213 PVN 58 . DOUB C63 O64 no N 58 . 19213 PVN 59 . SING O65 H65 no N 59 . 19213 PVN 60 . DOUB N3 C14 no N 60 . 19213 PVN 61 . SING C14 C13 no N 61 . 19213 PVN 62 . SING C14 C15 no N 62 . 19213 PVN 63 . SING C13 C71 no N 63 . 19213 PVN 64 . SING C71 H713 no N 64 . 19213 PVN 65 . SING C71 H711 no N 65 . 19213 PVN 66 . SING C71 H712 no N 66 . 19213 PVN 67 . SING C15 H151 no N 67 . 19213 PVN 68 . DOUB C15 C16 no E 68 . 19213 PVN 69 . SING C16 C17 no N 69 . 19213 PVN 70 . SING C16 N4 no N 70 . 19213 PVN 71 . SING C17 C81 no N 71 . 19213 PVN 72 . DOUB C17 C18 no N 72 . 19213 PVN 73 . SING C81 H811 no N 73 . 19213 PVN 74 . SING C81 H812 no N 74 . 19213 PVN 75 . SING C81 H813 no N 75 . 19213 PVN 76 . SING N4 HN4 no N 76 . 19213 PVN 77 . SING N4 C19 no N 77 . 19213 PVN 78 . DOUB C19 O19 no N 78 . 19213 PVN 79 . SING C19 C18 no N 79 . 19213 PVN 80 . SING C18 C91 no N 80 . 19213 PVN 81 . SING C91 H911 no N 81 . 19213 PVN 82 . SING C91 H912 no N 82 . 19213 PVN 83 . SING C91 C92 no N 83 . 19213 PVN 84 . SING C92 H921 no N 84 . 19213 PVN 85 . SING C92 H922 no N 85 . 19213 PVN 86 . SING C92 H923 no N 86 . 19213 PVN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19213 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N labeled TePixJ with unlabeled PVN, unlabeled TePixJ with 13C/15N labeled PVN in Pb' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 TePixJ '[U-13C; U-15N]' . . 1 $TePixJ . . . 0.7 1.3 mM 0.1 . . . 19213 1 2 PHYCOVIOLOBILIN 'natural abundance' . . 2 $entity_PVN . . . 0.7 1.3 mM 0.2 . . . 19213 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19213 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19213 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19213 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'in Pb' 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 'ionic strength' 10 .5 mM 19213 1 pH 8 . pH 19213 1 pressure 1 . atm 19213 1 temperature 273 . K 19213 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19213 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19213 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19213 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 19213 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 19213 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19213 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19213 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19213 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19213 3 'structure solution' 19213 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19213 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19213 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19213 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19213 _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 spectrometer_1 Varian INOVA . 900 . . . 19213 1 2 spectrometer_2 Varian INOVA . 800 . . . 19213 1 3 spectrometer_3 Varian INOVA . 600 . . . 19213 1 4 spectrometer_4 Bruker Avance . 700 . . . 19213 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 19213 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19213 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19213 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19213 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19213 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19213 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19213 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19213 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19213 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19213 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19213 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19213 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19213 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19213 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 2 '3D CBCA(CO)NH' . . . 19213 1 3 '3D HNCACB' . . . 19213 1 4 '3D HCCH-TOCSY' . . . 19213 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 MET HA H 1 4.824 0.04 . 1 . . . A 429 MET HA . 19213 1 2 . 1 1 1 1 MET HB2 H 1 1.880 0.04 . 1 . . . A 429 MET HB2 . 19213 1 3 . 1 1 1 1 MET HB3 H 1 1.793 0.04 . 1 . . . A 429 MET HB3 . 19213 1 4 . 1 1 1 1 MET HG2 H 1 2.071 0.04 . 1 . . . A 429 MET HG2 . 19213 1 5 . 1 1 1 1 MET HG3 H 1 2.141 0.04 . 1 . . . A 429 MET HG3 . 19213 1 6 . 1 1 1 1 MET C C 13 173.374 0.25 . 1 . . . A 429 MET C . 19213 1 7 . 1 1 1 1 MET CA C 13 54.314 0.25 . 1 . . . A 429 MET CA . 19213 1 8 . 1 1 1 1 MET CB C 13 32.536 0.25 . 1 . . . A 429 MET CB . 19213 1 9 . 1 1 1 1 MET CG C 13 34.148 0.25 . 1 . . . A 429 MET CG . 19213 1 10 . 1 1 2 2 ALA H H 1 8.772 0.04 . 1 . . . A 430 ALA H . 19213 1 11 . 1 1 2 2 ALA CA C 13 51.092 0.25 . 1 . . . A 430 ALA CA . 19213 1 12 . 1 1 2 2 ALA CB C 13 21.474 0.25 . 1 . . . A 430 ALA CB . 19213 1 13 . 1 1 2 2 ALA N N 15 132.375 0.25 . 1 . . . A 430 ALA N . 19213 1 14 . 1 1 3 3 ALA H H 1 8.180 0.04 . 1 . . . A 431 ALA H . 19213 1 15 . 1 1 3 3 ALA HA H 1 4.346 0.04 . 1 . . . A 431 ALA HA . 19213 1 16 . 1 1 3 3 ALA HB1 H 1 1.341 0.04 . 1 . . . A 431 ALA HB1 . 19213 1 17 . 1 1 3 3 ALA HB2 H 1 1.341 0.04 . 1 . . . A 431 ALA HB2 . 19213 1 18 . 1 1 3 3 ALA HB3 H 1 1.341 0.04 . 1 . . . A 431 ALA HB3 . 19213 1 19 . 1 1 3 3 ALA C C 13 177.537 0.25 . 1 . . . A 431 ALA C . 19213 1 20 . 1 1 3 3 ALA CA C 13 52.341 0.25 . 1 . . . A 431 ALA CA . 19213 1 21 . 1 1 3 3 ALA CB C 13 19.209 0.25 . 1 . . . A 431 ALA CB . 19213 1 22 . 1 1 3 3 ALA N N 15 117.710 0.25 . 1 . . . A 431 ALA N . 19213 1 23 . 1 1 4 4 VAL H H 1 8.191 0.04 . 1 . . . A 432 VAL H . 19213 1 24 . 1 1 4 4 VAL HA H 1 4.045 0.04 . 1 . . . A 432 VAL HA . 19213 1 25 . 1 1 4 4 VAL HB H 1 1.954 0.04 . 1 . . . A 432 VAL HB . 19213 1 26 . 1 1 4 4 VAL HG11 H 1 0.900 0.04 . 1 . . . A 432 VAL HG11 . 19213 1 27 . 1 1 4 4 VAL HG12 H 1 0.900 0.04 . 1 . . . A 432 VAL HG12 . 19213 1 28 . 1 1 4 4 VAL HG13 H 1 0.900 0.04 . 1 . . . A 432 VAL HG13 . 19213 1 29 . 1 1 4 4 VAL HG21 H 1 0.860 0.04 . 1 . . . A 432 VAL HG21 . 19213 1 30 . 1 1 4 4 VAL HG22 H 1 0.860 0.04 . 1 . . . A 432 VAL HG22 . 19213 1 31 . 1 1 4 4 VAL HG23 H 1 0.860 0.04 . 1 . . . A 432 VAL HG23 . 19213 1 32 . 1 1 4 4 VAL C C 13 175.692 0.25 . 1 . . . A 432 VAL C . 19213 1 33 . 1 1 4 4 VAL CA C 13 62.172 0.25 . 1 . . . A 432 VAL CA . 19213 1 34 . 1 1 4 4 VAL CB C 13 33.029 0.25 . 1 . . . A 432 VAL CB . 19213 1 35 . 1 1 4 4 VAL CG1 C 13 21.102 0.25 . 1 . . . A 432 VAL CG1 . 19213 1 36 . 1 1 4 4 VAL N N 15 120.378 0.25 . 1 . . . A 432 VAL N . 19213 1 37 . 1 1 5 5 GLN H H 1 8.525 0.04 . 1 . . . A 433 GLN H . 19213 1 38 . 1 1 5 5 GLN HE21 H 1 7.520 0.04 . 1 . . . A 433 GLN HE21 . 19213 1 39 . 1 1 5 5 GLN HE22 H 1 6.860 0.04 . 1 . . . A 433 GLN HE22 . 19213 1 40 . 1 1 5 5 GLN CA C 13 54.855 0.25 . 1 . . . A 433 GLN CA . 19213 1 41 . 1 1 5 5 GLN CB C 13 29.530 0.25 . 1 . . . A 433 GLN CB . 19213 1 42 . 1 1 5 5 GLN CG C 13 33.500 0.25 . 1 . . . A 433 GLN CG . 19213 1 43 . 1 1 5 5 GLN N N 15 124.398 0.25 . 1 . . . A 433 GLN N . 19213 1 44 . 1 1 5 5 GLN NE2 N 15 112.700 0.25 . 1 . . . A 433 GLN NE2 . 19213 1 45 . 1 1 7 7 SER HA H 1 4.074 0.04 . 1 . . . A 435 SER HA . 19213 1 46 . 1 1 7 7 SER HB2 H 1 3.793 0.04 . 1 . . . A 435 SER HB2 . 19213 1 47 . 1 1 7 7 SER HB3 H 1 3.964 0.04 . 1 . . . A 435 SER HB3 . 19213 1 48 . 1 1 7 7 SER C C 13 178.865 0.25 . 1 . . . A 435 SER C . 19213 1 49 . 1 1 7 7 SER CA C 13 60.402 0.25 . 1 . . . A 435 SER CA . 19213 1 50 . 1 1 7 7 SER CB C 13 62.858 0.25 . 1 . . . A 435 SER CB . 19213 1 51 . 1 1 8 8 GLU H H 1 7.847 0.04 . 1 . . . A 436 GLU H . 19213 1 52 . 1 1 8 8 GLU HA H 1 4.309 0.04 . 1 . . . A 436 GLU HA . 19213 1 53 . 1 1 8 8 GLU HB2 H 1 1.990 0.04 . 1 . . . A 436 GLU HB2 . 19213 1 54 . 1 1 8 8 GLU HB3 H 1 2.154 0.04 . 1 . . . A 436 GLU HB3 . 19213 1 55 . 1 1 8 8 GLU HG3 H 1 2.199 0.04 . 1 . . . A 436 GLU HG3 . 19213 1 56 . 1 1 8 8 GLU C C 13 176.654 0.25 . 1 . . . A 436 GLU C . 19213 1 57 . 1 1 8 8 GLU CA C 13 56.095 0.25 . 1 . . . A 436 GLU CA . 19213 1 58 . 1 1 8 8 GLU CB C 13 30.278 0.25 . 1 . . . A 436 GLU CB . 19213 1 59 . 1 1 8 8 GLU CG C 13 36.710 0.25 . 1 . . . A 436 GLU CG . 19213 1 60 . 1 1 8 8 GLU N N 15 119.935 0.25 . 1 . . . A 436 GLU N . 19213 1 61 . 1 1 9 9 LEU H H 1 7.349 0.04 . 1 . . . A 437 LEU H . 19213 1 62 . 1 1 9 9 LEU CA C 13 55.492 0.25 . 1 . . . A 437 LEU CA . 19213 1 63 . 1 1 9 9 LEU CB C 13 43.512 0.25 . 1 . . . A 437 LEU CB . 19213 1 64 . 1 1 9 9 LEU N N 15 120.616 0.25 . 1 . . . A 437 LEU N . 19213 1 65 . 1 1 12 12 ARG HA H 1 3.274 0.04 . 1 . . . A 440 ARG HA . 19213 1 66 . 1 1 12 12 ARG HB2 H 1 1.394 0.04 . 1 . . . A 440 ARG HB2 . 19213 1 67 . 1 1 12 12 ARG HB3 H 1 1.526 0.04 . 1 . . . A 440 ARG HB3 . 19213 1 68 . 1 1 12 12 ARG HG2 H 1 1.081 0.04 . 1 . . . A 440 ARG HG2 . 19213 1 69 . 1 1 12 12 ARG HG3 H 1 1.330 0.04 . 1 . . . A 440 ARG HG3 . 19213 1 70 . 1 1 12 12 ARG HD3 H 1 3.130 0.04 . 1 . . . A 440 ARG HD3 . 19213 1 71 . 1 1 12 12 ARG HE H 1 7.540 0.04 . 1 . . . A 440 ARG HE . 19213 1 72 . 1 1 12 12 ARG C C 13 175.983 0.25 . 1 . . . A 440 ARG C . 19213 1 73 . 1 1 12 12 ARG CA C 13 60.018 0.25 . 1 . . . A 440 ARG CA . 19213 1 74 . 1 1 12 12 ARG CB C 13 30.268 0.25 . 1 . . . A 440 ARG CB . 19213 1 75 . 1 1 12 12 ARG CG C 13 28.041 0.25 . 1 . . . A 440 ARG CG . 19213 1 76 . 1 1 12 12 ARG CD C 13 43.500 0.25 . 1 . . . A 440 ARG CD . 19213 1 77 . 1 1 13 13 GLN H H 1 8.079 0.04 . 1 . . . A 441 GLN H . 19213 1 78 . 1 1 13 13 GLN HA H 1 3.804 0.04 . 1 . . . A 441 GLN HA . 19213 1 79 . 1 1 13 13 GLN HB2 H 1 2.041 0.04 . 1 . . . A 441 GLN HB2 . 19213 1 80 . 1 1 13 13 GLN HB3 H 1 2.252 0.04 . 1 . . . A 441 GLN HB3 . 19213 1 81 . 1 1 13 13 GLN HG2 H 1 2.510 0.04 . 1 . . . A 441 GLN HG2 . 19213 1 82 . 1 1 13 13 GLN HG3 H 1 2.560 0.04 . 1 . . . A 441 GLN HG3 . 19213 1 83 . 1 1 13 13 GLN HE21 H 1 8.260 0.04 . 1 . . . A 441 GLN HE21 . 19213 1 84 . 1 1 13 13 GLN HE22 H 1 7.110 0.04 . 1 . . . A 441 GLN HE22 . 19213 1 85 . 1 1 13 13 GLN C C 13 178.030 0.25 . 1 . . . A 441 GLN C . 19213 1 86 . 1 1 13 13 GLN CA C 13 58.764 0.25 . 1 . . . A 441 GLN CA . 19213 1 87 . 1 1 13 13 GLN CB C 13 27.434 0.25 . 1 . . . A 441 GLN CB . 19213 1 88 . 1 1 13 13 GLN CG C 13 33.207 0.25 . 1 . . . A 441 GLN CG . 19213 1 89 . 1 1 13 13 GLN N N 15 117.801 0.25 . 1 . . . A 441 GLN N . 19213 1 90 . 1 1 13 13 GLN NE2 N 15 112.600 0.25 . 1 . . . A 441 GLN NE2 . 19213 1 91 . 1 1 14 14 ALA H H 1 7.914 0.04 . 1 . . . A 442 ALA H . 19213 1 92 . 1 1 14 14 ALA HA H 1 4.123 0.04 . 1 . . . A 442 ALA HA . 19213 1 93 . 1 1 14 14 ALA HB1 H 1 1.505 0.04 . 1 . . . A 442 ALA HB1 . 19213 1 94 . 1 1 14 14 ALA HB2 H 1 1.505 0.04 . 1 . . . A 442 ALA HB2 . 19213 1 95 . 1 1 14 14 ALA HB3 H 1 1.505 0.04 . 1 . . . A 442 ALA HB3 . 19213 1 96 . 1 1 14 14 ALA C C 13 181.577 0.25 . 1 . . . A 442 ALA C . 19213 1 97 . 1 1 14 14 ALA CA C 13 54.940 0.25 . 1 . . . A 442 ALA CA . 19213 1 98 . 1 1 14 14 ALA CB C 13 18.705 0.25 . 1 . . . A 442 ALA CB . 19213 1 99 . 1 1 14 14 ALA N N 15 120.194 0.25 . 1 . . . A 442 ALA N . 19213 1 100 . 1 1 15 15 ILE H H 1 7.663 0.04 . 1 . . . A 443 ILE H . 19213 1 101 . 1 1 15 15 ILE HA H 1 3.445 0.04 . 1 . . . A 443 ILE HA . 19213 1 102 . 1 1 15 15 ILE HB H 1 1.793 0.04 . 1 . . . A 443 ILE HB . 19213 1 103 . 1 1 15 15 ILE HG12 H 1 0.919 0.04 . 1 . . . A 443 ILE HG12 . 19213 1 104 . 1 1 15 15 ILE HG13 H 1 1.205 0.04 . 1 . . . A 443 ILE HG13 . 19213 1 105 . 1 1 15 15 ILE HG21 H 1 0.618 0.04 . 1 . . . A 443 ILE HG21 . 19213 1 106 . 1 1 15 15 ILE HG22 H 1 0.618 0.04 . 1 . . . A 443 ILE HG22 . 19213 1 107 . 1 1 15 15 ILE HG23 H 1 0.618 0.04 . 1 . . . A 443 ILE HG23 . 19213 1 108 . 1 1 15 15 ILE HD11 H 1 0.540 0.04 . 1 . . . A 443 ILE HD11 . 19213 1 109 . 1 1 15 15 ILE HD12 H 1 0.540 0.04 . 1 . . . A 443 ILE HD12 . 19213 1 110 . 1 1 15 15 ILE HD13 H 1 0.540 0.04 . 1 . . . A 443 ILE HD13 . 19213 1 111 . 1 1 15 15 ILE C C 13 177.663 0.25 . 1 . . . A 443 ILE C . 19213 1 112 . 1 1 15 15 ILE CA C 13 65.907 0.25 . 1 . . . A 443 ILE CA . 19213 1 113 . 1 1 15 15 ILE CB C 13 37.169 0.25 . 1 . . . A 443 ILE CB . 19213 1 114 . 1 1 15 15 ILE CG1 C 13 30.840 0.25 . 1 . . . A 443 ILE CG1 . 19213 1 115 . 1 1 15 15 ILE CG2 C 13 16.409 0.25 . 1 . . . A 443 ILE CG2 . 19213 1 116 . 1 1 15 15 ILE CD1 C 13 14.700 0.25 . 1 . . . A 443 ILE CD1 . 19213 1 117 . 1 1 15 15 ILE N N 15 120.712 0.25 . 1 . . . A 443 ILE N . 19213 1 118 . 1 1 16 16 PHE H H 1 8.077 0.04 . 1 . . . A 444 PHE H . 19213 1 119 . 1 1 16 16 PHE HA H 1 4.311 0.04 . 1 . . . A 444 PHE HA . 19213 1 120 . 1 1 16 16 PHE HB2 H 1 2.991 0.04 . 1 . . . A 444 PHE HB2 . 19213 1 121 . 1 1 16 16 PHE HB3 H 1 3.313 0.04 . 1 . . . A 444 PHE HB3 . 19213 1 122 . 1 1 16 16 PHE HD2 H 1 6.950 0.04 . 1 . . . A 444 PHE HD2 . 19213 1 123 . 1 1 16 16 PHE HE2 H 1 7.090 0.04 . 1 . . . A 444 PHE HE2 . 19213 1 124 . 1 1 16 16 PHE HZ H 1 7.110 0.04 . 1 . . . A 444 PHE HZ . 19213 1 125 . 1 1 16 16 PHE C C 13 178.273 0.25 . 1 . . . A 444 PHE C . 19213 1 126 . 1 1 16 16 PHE CA C 13 58.956 0.25 . 1 . . . A 444 PHE CA . 19213 1 127 . 1 1 16 16 PHE CB C 13 38.154 0.25 . 1 . . . A 444 PHE CB . 19213 1 128 . 1 1 16 16 PHE CD2 C 13 129.600 0.25 . 1 . . . A 444 PHE CD2 . 19213 1 129 . 1 1 16 16 PHE CE2 C 13 131.500 0.25 . 1 . . . A 444 PHE CE2 . 19213 1 130 . 1 1 16 16 PHE CZ C 13 129.800 0.25 . 1 . . . A 444 PHE CZ . 19213 1 131 . 1 1 16 16 PHE N N 15 119.033 0.25 . 1 . . . A 444 PHE N . 19213 1 132 . 1 1 17 17 GLU H H 1 8.746 0.04 . 1 . . . A 445 GLU H . 19213 1 133 . 1 1 17 17 GLU HA H 1 4.399 0.04 . 1 . . . A 445 GLU HA . 19213 1 134 . 1 1 17 17 GLU HB2 H 1 2.170 0.04 . 1 . . . A 445 GLU HB2 . 19213 1 135 . 1 1 17 17 GLU HB3 H 1 1.961 0.04 . 1 . . . A 445 GLU HB3 . 19213 1 136 . 1 1 17 17 GLU HG2 H 1 2.560 0.04 . 1 . . . A 445 GLU HG2 . 19213 1 137 . 1 1 17 17 GLU HG3 H 1 2.780 0.04 . 1 . . . A 445 GLU HG3 . 19213 1 138 . 1 1 17 17 GLU C C 13 179.822 0.25 . 1 . . . A 445 GLU C . 19213 1 139 . 1 1 17 17 GLU CA C 13 58.472 0.25 . 1 . . . A 445 GLU CA . 19213 1 140 . 1 1 17 17 GLU CB C 13 28.797 0.25 . 1 . . . A 445 GLU CB . 19213 1 141 . 1 1 17 17 GLU CG C 13 35.503 0.25 . 1 . . . A 445 GLU CG . 19213 1 142 . 1 1 17 17 GLU N N 15 115.469 0.25 . 1 . . . A 445 GLU N . 19213 1 143 . 1 1 18 18 THR H H 1 8.139 0.04 . 1 . . . A 446 THR H . 19213 1 144 . 1 1 18 18 THR HA H 1 4.067 0.04 . 1 . . . A 446 THR HA . 19213 1 145 . 1 1 18 18 THR HB H 1 4.136 0.04 . 1 . . . A 446 THR HB . 19213 1 146 . 1 1 18 18 THR HG21 H 1 1.168 0.04 . 1 . . . A 446 THR HG21 . 19213 1 147 . 1 1 18 18 THR HG22 H 1 1.168 0.04 . 1 . . . A 446 THR HG22 . 19213 1 148 . 1 1 18 18 THR HG23 H 1 1.168 0.04 . 1 . . . A 446 THR HG23 . 19213 1 149 . 1 1 18 18 THR C C 13 175.802 0.25 . 1 . . . A 446 THR C . 19213 1 150 . 1 1 18 18 THR CA C 13 66.959 0.25 . 1 . . . A 446 THR CA . 19213 1 151 . 1 1 18 18 THR CB C 13 68.289 0.25 . 1 . . . A 446 THR CB . 19213 1 152 . 1 1 18 18 THR CG2 C 13 21.727 0.25 . 1 . . . A 446 THR CG2 . 19213 1 153 . 1 1 18 18 THR N N 15 117.987 0.25 . 1 . . . A 446 THR N . 19213 1 154 . 1 1 19 19 LEU H H 1 8.608 0.04 . 1 . . . A 447 LEU H . 19213 1 155 . 1 1 19 19 LEU HA H 1 3.874 0.04 . 1 . . . A 447 LEU HA . 19213 1 156 . 1 1 19 19 LEU HB2 H 1 1.409 0.04 . 1 . . . A 447 LEU HB2 . 19213 1 157 . 1 1 19 19 LEU HB3 H 1 1.902 0.04 . 1 . . . A 447 LEU HB3 . 19213 1 158 . 1 1 19 19 LEU HG H 1 1.770 0.04 . 1 . . . A 447 LEU HG . 19213 1 159 . 1 1 19 19 LEU HD11 H 1 0.760 0.04 . 1 . . . A 447 LEU HD11 . 19213 1 160 . 1 1 19 19 LEU HD12 H 1 0.760 0.04 . 1 . . . A 447 LEU HD12 . 19213 1 161 . 1 1 19 19 LEU HD13 H 1 0.760 0.04 . 1 . . . A 447 LEU HD13 . 19213 1 162 . 1 1 19 19 LEU HD21 H 1 0.730 0.04 . 1 . . . A 447 LEU HD21 . 19213 1 163 . 1 1 19 19 LEU HD22 H 1 0.730 0.04 . 1 . . . A 447 LEU HD22 . 19213 1 164 . 1 1 19 19 LEU HD23 H 1 0.730 0.04 . 1 . . . A 447 LEU HD23 . 19213 1 165 . 1 1 19 19 LEU C C 13 179.377 0.25 . 1 . . . A 447 LEU C . 19213 1 166 . 1 1 19 19 LEU CA C 13 58.858 0.25 . 1 . . . A 447 LEU CA . 19213 1 167 . 1 1 19 19 LEU CB C 13 42.709 0.25 . 1 . . . A 447 LEU CB . 19213 1 168 . 1 1 19 19 LEU CG C 13 26.500 0.25 . 1 . . . A 447 LEU CG . 19213 1 169 . 1 1 19 19 LEU CD1 C 13 25.788 0.25 . 1 . . . A 447 LEU CD1 . 19213 1 170 . 1 1 19 19 LEU CD2 C 13 24.830 0.25 . 1 . . . A 447 LEU CD2 . 19213 1 171 . 1 1 19 19 LEU N N 15 122.061 0.25 . 1 . . . A 447 LEU N . 19213 1 172 . 1 1 20 20 VAL H H 1 7.783 0.04 . 1 . . . A 448 VAL H . 19213 1 173 . 1 1 20 20 VAL HA H 1 3.973 0.04 . 1 . . . A 448 VAL HA . 19213 1 174 . 1 1 20 20 VAL HB H 1 1.999 0.04 . 1 . . . A 448 VAL HB . 19213 1 175 . 1 1 20 20 VAL HG11 H 1 0.812 0.04 . 1 . . . A 448 VAL HG11 . 19213 1 176 . 1 1 20 20 VAL HG12 H 1 0.812 0.04 . 1 . . . A 448 VAL HG12 . 19213 1 177 . 1 1 20 20 VAL HG13 H 1 0.812 0.04 . 1 . . . A 448 VAL HG13 . 19213 1 178 . 1 1 20 20 VAL HG21 H 1 1.052 0.04 . 1 . . . A 448 VAL HG21 . 19213 1 179 . 1 1 20 20 VAL HG22 H 1 1.052 0.04 . 1 . . . A 448 VAL HG22 . 19213 1 180 . 1 1 20 20 VAL HG23 H 1 1.052 0.04 . 1 . . . A 448 VAL HG23 . 19213 1 181 . 1 1 20 20 VAL C C 13 177.414 0.25 . 1 . . . A 448 VAL C . 19213 1 182 . 1 1 20 20 VAL CA C 13 64.624 0.25 . 1 . . . A 448 VAL CA . 19213 1 183 . 1 1 20 20 VAL CB C 13 29.895 0.25 . 1 . . . A 448 VAL CB . 19213 1 184 . 1 1 20 20 VAL CG1 C 13 24.798 0.25 . 1 . . . A 448 VAL CG1 . 19213 1 185 . 1 1 20 20 VAL CG2 C 13 20.496 0.25 . 1 . . . A 448 VAL CG2 . 19213 1 186 . 1 1 20 20 VAL N N 15 108.293 0.25 . 1 . . . A 448 VAL N . 19213 1 187 . 1 1 21 21 ALA H H 1 7.477 0.04 . 1 . . . A 449 ALA H . 19213 1 188 . 1 1 21 21 ALA HA H 1 4.291 0.04 . 1 . . . A 449 ALA HA . 19213 1 189 . 1 1 21 21 ALA HB1 H 1 1.601 0.04 . 1 . . . A 449 ALA HB1 . 19213 1 190 . 1 1 21 21 ALA HB2 H 1 1.601 0.04 . 1 . . . A 449 ALA HB2 . 19213 1 191 . 1 1 21 21 ALA HB3 H 1 1.601 0.04 . 1 . . . A 449 ALA HB3 . 19213 1 192 . 1 1 21 21 ALA C C 13 181.177 0.25 . 1 . . . A 449 ALA C . 19213 1 193 . 1 1 21 21 ALA CA C 13 55.144 0.25 . 1 . . . A 449 ALA CA . 19213 1 194 . 1 1 21 21 ALA CB C 13 18.558 0.25 . 1 . . . A 449 ALA CB . 19213 1 195 . 1 1 21 21 ALA N N 15 124.901 0.25 . 1 . . . A 449 ALA N . 19213 1 196 . 1 1 22 22 LYS H H 1 8.835 0.04 . 1 . . . A 450 LYS H . 19213 1 197 . 1 1 22 22 LYS HA H 1 4.194 0.04 . 1 . . . A 450 LYS HA . 19213 1 198 . 1 1 22 22 LYS HB2 H 1 1.864 0.04 . 1 . . . A 450 LYS HB2 . 19213 1 199 . 1 1 22 22 LYS HB3 H 1 2.017 0.04 . 1 . . . A 450 LYS HB3 . 19213 1 200 . 1 1 22 22 LYS HG3 H 1 1.612 0.04 . 1 . . . A 450 LYS HG3 . 19213 1 201 . 1 1 22 22 LYS HD3 H 1 1.670 0.04 . 1 . . . A 450 LYS HD3 . 19213 1 202 . 1 1 22 22 LYS HE2 H 1 2.920 0.04 . 1 . . . A 450 LYS HE2 . 19213 1 203 . 1 1 22 22 LYS HE3 H 1 2.980 0.04 . 1 . . . A 450 LYS HE3 . 19213 1 204 . 1 1 22 22 LYS C C 13 180.027 0.25 . 1 . . . A 450 LYS C . 19213 1 205 . 1 1 22 22 LYS CA C 13 58.274 0.25 . 1 . . . A 450 LYS CA . 19213 1 206 . 1 1 22 22 LYS CB C 13 31.673 0.25 . 1 . . . A 450 LYS CB . 19213 1 207 . 1 1 22 22 LYS CG C 13 25.218 0.25 . 1 . . . A 450 LYS CG . 19213 1 208 . 1 1 22 22 LYS CD C 13 28.501 0.25 . 1 . . . A 450 LYS CD . 19213 1 209 . 1 1 22 22 LYS CE C 13 42.072 0.25 . 1 . . . A 450 LYS CE . 19213 1 210 . 1 1 22 22 LYS N N 15 118.438 0.25 . 1 . . . A 450 LYS N . 19213 1 211 . 1 1 23 23 GLY H H 1 8.765 0.04 . 1 . . . A 451 GLY H . 19213 1 212 . 1 1 23 23 GLY HA2 H 1 3.617 0.04 . 1 . . . A 451 GLY HA2 . 19213 1 213 . 1 1 23 23 GLY HA3 H 1 3.813 0.04 . 1 . . . A 451 GLY HA3 . 19213 1 214 . 1 1 23 23 GLY C C 13 173.706 0.25 . 1 . . . A 451 GLY C . 19213 1 215 . 1 1 23 23 GLY CA C 13 47.992 0.25 . 1 . . . A 451 GLY CA . 19213 1 216 . 1 1 23 23 GLY N N 15 108.035 0.25 . 1 . . . A 451 GLY N . 19213 1 217 . 1 1 24 24 ARG H H 1 8.272 0.04 . 1 . . . A 452 ARG H . 19213 1 218 . 1 1 24 24 ARG HA H 1 4.080 0.04 . 1 . . . A 452 ARG HA . 19213 1 219 . 1 1 24 24 ARG HB2 H 1 1.510 0.04 . 1 . . . A 452 ARG HB2 . 19213 1 220 . 1 1 24 24 ARG HB3 H 1 1.640 0.04 . 1 . . . A 452 ARG HB3 . 19213 1 221 . 1 1 24 24 ARG HG2 H 1 1.750 0.04 . 1 . . . A 452 ARG HG2 . 19213 1 222 . 1 1 24 24 ARG HG3 H 1 2.170 0.04 . 1 . . . A 452 ARG HG3 . 19213 1 223 . 1 1 24 24 ARG HD3 H 1 2.880 0.04 . 1 . . . A 452 ARG HD3 . 19213 1 224 . 1 1 24 24 ARG HE H 1 7.400 0.04 . 1 . . . A 452 ARG HE . 19213 1 225 . 1 1 24 24 ARG C C 13 178.863 0.25 . 1 . . . A 452 ARG C . 19213 1 226 . 1 1 24 24 ARG CA C 13 60.572 0.25 . 1 . . . A 452 ARG CA . 19213 1 227 . 1 1 24 24 ARG CB C 13 30.407 0.25 . 1 . . . A 452 ARG CB . 19213 1 228 . 1 1 24 24 ARG CG C 13 30.400 0.25 . 1 . . . A 452 ARG CG . 19213 1 229 . 1 1 24 24 ARG CD C 13 43.740 0.25 . 1 . . . A 452 ARG CD . 19213 1 230 . 1 1 24 24 ARG N N 15 122.460 0.25 . 1 . . . A 452 ARG N . 19213 1 231 . 1 1 24 24 ARG NE N 15 82.800 0.25 . 1 . . . A 452 ARG NE . 19213 1 232 . 1 1 25 25 GLU H H 1 7.894 0.04 . 1 . . . A 453 GLU H . 19213 1 233 . 1 1 25 25 GLU HA H 1 4.096 0.04 . 1 . . . A 453 GLU HA . 19213 1 234 . 1 1 25 25 GLU HB3 H 1 2.191 0.04 . 1 . . . A 453 GLU HB3 . 19213 1 235 . 1 1 25 25 GLU HG2 H 1 2.230 0.04 . 1 . . . A 453 GLU HG2 . 19213 1 236 . 1 1 25 25 GLU HG3 H 1 2.400 0.04 . 1 . . . A 453 GLU HG3 . 19213 1 237 . 1 1 25 25 GLU C C 13 178.778 0.25 . 1 . . . A 453 GLU C . 19213 1 238 . 1 1 25 25 GLU CA C 13 59.023 0.25 . 1 . . . A 453 GLU CA . 19213 1 239 . 1 1 25 25 GLU CB C 13 30.241 0.25 . 1 . . . A 453 GLU CB . 19213 1 240 . 1 1 25 25 GLU CG C 13 36.218 0.25 . 1 . . . A 453 GLU CG . 19213 1 241 . 1 1 25 25 GLU N N 15 119.784 0.25 . 1 . . . A 453 GLU N . 19213 1 242 . 1 1 26 26 LEU H H 1 8.328 0.04 . 1 . . . A 454 LEU H . 19213 1 243 . 1 1 26 26 LEU HA H 1 4.171 0.04 . 1 . . . A 454 LEU HA . 19213 1 244 . 1 1 26 26 LEU HB2 H 1 1.743 0.04 . 1 . . . A 454 LEU HB2 . 19213 1 245 . 1 1 26 26 LEU HB3 H 1 1.915 0.04 . 1 . . . A 454 LEU HB3 . 19213 1 246 . 1 1 26 26 LEU HG H 1 1.840 0.04 . 1 . . . A 454 LEU HG . 19213 1 247 . 1 1 26 26 LEU HD11 H 1 0.965 0.04 . 1 . . . A 454 LEU HD11 . 19213 1 248 . 1 1 26 26 LEU HD12 H 1 0.965 0.04 . 1 . . . A 454 LEU HD12 . 19213 1 249 . 1 1 26 26 LEU HD13 H 1 0.965 0.04 . 1 . . . A 454 LEU HD13 . 19213 1 250 . 1 1 26 26 LEU HD21 H 1 0.910 0.04 . 1 . . . A 454 LEU HD21 . 19213 1 251 . 1 1 26 26 LEU HD22 H 1 0.910 0.04 . 1 . . . A 454 LEU HD22 . 19213 1 252 . 1 1 26 26 LEU HD23 H 1 0.910 0.04 . 1 . . . A 454 LEU HD23 . 19213 1 253 . 1 1 26 26 LEU C C 13 178.457 0.25 . 1 . . . A 454 LEU C . 19213 1 254 . 1 1 26 26 LEU CA C 13 57.869 0.25 . 1 . . . A 454 LEU CA . 19213 1 255 . 1 1 26 26 LEU CB C 13 42.922 0.25 . 1 . . . A 454 LEU CB . 19213 1 256 . 1 1 26 26 LEU CG C 13 26.897 0.25 . 1 . . . A 454 LEU CG . 19213 1 257 . 1 1 26 26 LEU CD1 C 13 25.343 0.25 . 1 . . . A 454 LEU CD1 . 19213 1 258 . 1 1 26 26 LEU CD2 C 13 24.222 0.25 . 1 . . . A 454 LEU CD2 . 19213 1 259 . 1 1 26 26 LEU N N 15 119.313 0.25 . 1 . . . A 454 LEU N . 19213 1 260 . 1 1 27 27 LEU H H 1 7.424 0.04 . 1 . . . A 455 LEU H . 19213 1 261 . 1 1 27 27 LEU HA H 1 4.380 0.04 . 1 . . . A 455 LEU HA . 19213 1 262 . 1 1 27 27 LEU HB2 H 1 1.357 0.04 . 1 . . . A 455 LEU HB2 . 19213 1 263 . 1 1 27 27 LEU HB3 H 1 1.825 0.04 . 1 . . . A 455 LEU HB3 . 19213 1 264 . 1 1 27 27 LEU HG H 1 -0.042 0.04 . 1 . . . A 455 LEU HG . 19213 1 265 . 1 1 27 27 LEU HD11 H 1 0.693 0.04 . 1 . . . A 455 LEU HD11 . 19213 1 266 . 1 1 27 27 LEU HD12 H 1 0.693 0.04 . 1 . . . A 455 LEU HD12 . 19213 1 267 . 1 1 27 27 LEU HD13 H 1 0.693 0.04 . 1 . . . A 455 LEU HD13 . 19213 1 268 . 1 1 27 27 LEU C C 13 176.795 0.25 . 1 . . . A 455 LEU C . 19213 1 269 . 1 1 27 27 LEU CA C 13 54.643 0.25 . 1 . . . A 455 LEU CA . 19213 1 270 . 1 1 27 27 LEU CB C 13 43.897 0.25 . 1 . . . A 455 LEU CB . 19213 1 271 . 1 1 27 27 LEU CG C 13 26.861 0.25 . 1 . . . A 455 LEU CG . 19213 1 272 . 1 1 27 27 LEU CD1 C 13 22.510 0.25 . 1 . . . A 455 LEU CD1 . 19213 1 273 . 1 1 27 27 LEU N N 15 113.192 0.25 . 1 . . . A 455 LEU N . 19213 1 274 . 1 1 28 28 ALA H H 1 8.573 0.04 . 1 . . . A 456 ALA H . 19213 1 275 . 1 1 28 28 ALA HA H 1 4.244 0.04 . 1 . . . A 456 ALA HA . 19213 1 276 . 1 1 28 28 ALA HB1 H 1 1.462 0.04 . 1 . . . A 456 ALA HB1 . 19213 1 277 . 1 1 28 28 ALA HB2 H 1 1.462 0.04 . 1 . . . A 456 ALA HB2 . 19213 1 278 . 1 1 28 28 ALA HB3 H 1 1.462 0.04 . 1 . . . A 456 ALA HB3 . 19213 1 279 . 1 1 28 28 ALA C C 13 177.051 0.25 . 1 . . . A 456 ALA C . 19213 1 280 . 1 1 28 28 ALA CA C 13 52.975 0.25 . 1 . . . A 456 ALA CA . 19213 1 281 . 1 1 28 28 ALA CB C 13 16.514 0.25 . 1 . . . A 456 ALA CB . 19213 1 282 . 1 1 28 28 ALA N N 15 124.175 0.25 . 1 . . . A 456 ALA N . 19213 1 283 . 1 1 29 29 CYS H H 1 7.000 0.04 . 1 . . . A 457 CYS H . 19213 1 284 . 1 1 29 29 CYS HA H 1 5.592 0.04 . 1 . . . A 457 CYS HA . 19213 1 285 . 1 1 29 29 CYS HB2 H 1 2.564 0.04 . 1 . . . A 457 CYS HB2 . 19213 1 286 . 1 1 29 29 CYS HB3 H 1 3.714 0.04 . 1 . . . A 457 CYS HB3 . 19213 1 287 . 1 1 29 29 CYS C C 13 172.935 0.25 . 1 . . . A 457 CYS C . 19213 1 288 . 1 1 29 29 CYS CA C 13 54.876 0.25 . 1 . . . A 457 CYS CA . 19213 1 289 . 1 1 29 29 CYS CB C 13 29.887 0.25 . 1 . . . A 457 CYS CB . 19213 1 290 . 1 1 29 29 CYS N N 15 111.282 0.25 . 1 . . . A 457 CYS N . 19213 1 291 . 1 1 30 30 ASP H H 1 7.265 0.04 . 1 . . . A 458 ASP H . 19213 1 292 . 1 1 30 30 ASP HA H 1 4.834 0.04 . 1 . . . A 458 ASP HA . 19213 1 293 . 1 1 30 30 ASP HB2 H 1 1.892 0.04 . 1 . . . A 458 ASP HB2 . 19213 1 294 . 1 1 30 30 ASP HB3 H 1 2.062 0.04 . 1 . . . A 458 ASP HB3 . 19213 1 295 . 1 1 30 30 ASP C C 13 175.463 0.25 . 1 . . . A 458 ASP C . 19213 1 296 . 1 1 30 30 ASP CA C 13 57.972 0.25 . 1 . . . A 458 ASP CA . 19213 1 297 . 1 1 30 30 ASP CB C 13 42.753 0.25 . 1 . . . A 458 ASP CB . 19213 1 298 . 1 1 30 30 ASP N N 15 117.373 0.25 . 1 . . . A 458 ASP N . 19213 1 299 . 1 1 31 31 ARG H H 1 8.099 0.04 . 1 . . . A 459 ARG H . 19213 1 300 . 1 1 31 31 ARG HA H 1 5.511 0.04 . 1 . . . A 459 ARG HA . 19213 1 301 . 1 1 31 31 ARG HB2 H 1 1.836 0.04 . 1 . . . A 459 ARG HB2 . 19213 1 302 . 1 1 31 31 ARG HB3 H 1 1.948 0.04 . 1 . . . A 459 ARG HB3 . 19213 1 303 . 1 1 31 31 ARG HG2 H 1 1.360 0.04 . 1 . . . A 459 ARG HG2 . 19213 1 304 . 1 1 31 31 ARG HG3 H 1 1.860 0.04 . 1 . . . A 459 ARG HG3 . 19213 1 305 . 1 1 31 31 ARG HD3 H 1 3.700 0.04 . 1 . . . A 459 ARG HD3 . 19213 1 306 . 1 1 31 31 ARG HE H 1 6.360 0.04 . 1 . . . A 459 ARG HE . 19213 1 307 . 1 1 31 31 ARG HH11 H 1 8.880 0.04 . 1 . . . A 459 ARG HH11 . 19213 1 308 . 1 1 31 31 ARG HH12 H 1 7.000 0.04 . 1 . . . A 459 ARG HH12 . 19213 1 309 . 1 1 31 31 ARG HH21 H 1 9.540 0.04 . 1 . . . A 459 ARG HH21 . 19213 1 310 . 1 1 31 31 ARG HH22 H 1 5.640 0.04 . 1 . . . A 459 ARG HH22 . 19213 1 311 . 1 1 31 31 ARG C C 13 174.652 0.25 . 1 . . . A 459 ARG C . 19213 1 312 . 1 1 31 31 ARG CA C 13 55.593 0.25 . 1 . . . A 459 ARG CA . 19213 1 313 . 1 1 31 31 ARG CB C 13 35.294 0.25 . 1 . . . A 459 ARG CB . 19213 1 314 . 1 1 31 31 ARG CG C 13 30.144 0.25 . 1 . . . A 459 ARG CG . 19213 1 315 . 1 1 31 31 ARG CD C 13 43.700 0.25 . 1 . . . A 459 ARG CD . 19213 1 316 . 1 1 31 31 ARG N N 15 117.328 0.25 . 1 . . . A 459 ARG N . 19213 1 317 . 1 1 31 31 ARG NE N 15 83.200 0.25 . 1 . . . A 459 ARG NE . 19213 1 318 . 1 1 31 31 ARG NH1 N 15 73.200 0.25 . 1 . . . A 459 ARG NH1 . 19213 1 319 . 1 1 31 31 ARG NH2 N 15 74.100 0.25 . 1 . . . A 459 ARG NH2 . 19213 1 320 . 1 1 32 32 VAL H H 1 9.215 0.04 . 1 . . . A 460 VAL H . 19213 1 321 . 1 1 32 32 VAL HA H 1 5.182 0.04 . 1 . . . A 460 VAL HA . 19213 1 322 . 1 1 32 32 VAL HB H 1 2.129 0.04 . 1 . . . A 460 VAL HB . 19213 1 323 . 1 1 32 32 VAL HG11 H 1 1.047 0.04 . 1 . . . A 460 VAL HG11 . 19213 1 324 . 1 1 32 32 VAL HG12 H 1 1.047 0.04 . 1 . . . A 460 VAL HG12 . 19213 1 325 . 1 1 32 32 VAL HG13 H 1 1.047 0.04 . 1 . . . A 460 VAL HG13 . 19213 1 326 . 1 1 32 32 VAL HG21 H 1 0.761 0.04 . 1 . . . A 460 VAL HG21 . 19213 1 327 . 1 1 32 32 VAL HG22 H 1 0.761 0.04 . 1 . . . A 460 VAL HG22 . 19213 1 328 . 1 1 32 32 VAL HG23 H 1 0.761 0.04 . 1 . . . A 460 VAL HG23 . 19213 1 329 . 1 1 32 32 VAL C C 13 174.538 0.25 . 1 . . . A 460 VAL C . 19213 1 330 . 1 1 32 32 VAL CA C 13 61.684 0.25 . 1 . . . A 460 VAL CA . 19213 1 331 . 1 1 32 32 VAL CB C 13 35.157 0.25 . 1 . . . A 460 VAL CB . 19213 1 332 . 1 1 32 32 VAL CG1 C 13 22.800 0.25 . 1 . . . A 460 VAL CG1 . 19213 1 333 . 1 1 32 32 VAL CG2 C 13 23.300 0.25 . 1 . . . A 460 VAL CG2 . 19213 1 334 . 1 1 32 32 VAL N N 15 127.029 0.25 . 1 . . . A 460 VAL N . 19213 1 335 . 1 1 33 33 ILE H H 1 9.051 0.04 . 1 . . . A 461 ILE H . 19213 1 336 . 1 1 33 33 ILE HA H 1 5.269 0.04 . 1 . . . A 461 ILE HA . 19213 1 337 . 1 1 33 33 ILE HB H 1 1.925 0.04 . 1 . . . A 461 ILE HB . 19213 1 338 . 1 1 33 33 ILE HG13 H 1 1.257 0.04 . 1 . . . A 461 ILE HG13 . 19213 1 339 . 1 1 33 33 ILE HG21 H 1 0.765 0.04 . 1 . . . A 461 ILE HG21 . 19213 1 340 . 1 1 33 33 ILE HG22 H 1 0.765 0.04 . 1 . . . A 461 ILE HG22 . 19213 1 341 . 1 1 33 33 ILE HG23 H 1 0.765 0.04 . 1 . . . A 461 ILE HG23 . 19213 1 342 . 1 1 33 33 ILE HD11 H 1 0.580 0.04 . 1 . . . A 461 ILE HD11 . 19213 1 343 . 1 1 33 33 ILE HD12 H 1 0.580 0.04 . 1 . . . A 461 ILE HD12 . 19213 1 344 . 1 1 33 33 ILE HD13 H 1 0.580 0.04 . 1 . . . A 461 ILE HD13 . 19213 1 345 . 1 1 33 33 ILE C C 13 174.436 0.25 . 1 . . . A 461 ILE C . 19213 1 346 . 1 1 33 33 ILE CA C 13 58.897 0.25 . 1 . . . A 461 ILE CA . 19213 1 347 . 1 1 33 33 ILE CB C 13 41.973 0.25 . 1 . . . A 461 ILE CB . 19213 1 348 . 1 1 33 33 ILE CG1 C 13 25.565 0.25 . 1 . . . A 461 ILE CG1 . 19213 1 349 . 1 1 33 33 ILE CG2 C 13 18.590 0.25 . 1 . . . A 461 ILE CG2 . 19213 1 350 . 1 1 33 33 ILE CD1 C 13 13.910 0.25 . 1 . . . A 461 ILE CD1 . 19213 1 351 . 1 1 33 33 ILE N N 15 118.191 0.25 . 1 . . . A 461 ILE N . 19213 1 352 . 1 1 34 34 VAL H H 1 7.266 0.04 . 1 . . . A 462 VAL H . 19213 1 353 . 1 1 34 34 VAL HA H 1 4.218 0.04 . 1 . . . A 462 VAL HA . 19213 1 354 . 1 1 34 34 VAL HB H 1 1.413 0.04 . 1 . . . A 462 VAL HB . 19213 1 355 . 1 1 34 34 VAL HG11 H 1 0.726 0.04 . 1 . . . A 462 VAL HG11 . 19213 1 356 . 1 1 34 34 VAL HG12 H 1 0.726 0.04 . 1 . . . A 462 VAL HG12 . 19213 1 357 . 1 1 34 34 VAL HG13 H 1 0.726 0.04 . 1 . . . A 462 VAL HG13 . 19213 1 358 . 1 1 34 34 VAL HG21 H 1 0.304 0.04 . 1 . . . A 462 VAL HG21 . 19213 1 359 . 1 1 34 34 VAL HG22 H 1 0.304 0.04 . 1 . . . A 462 VAL HG22 . 19213 1 360 . 1 1 34 34 VAL HG23 H 1 0.304 0.04 . 1 . . . A 462 VAL HG23 . 19213 1 361 . 1 1 34 34 VAL C C 13 173.040 0.25 . 1 . . . A 462 VAL C . 19213 1 362 . 1 1 34 34 VAL CA C 13 62.382 0.25 . 1 . . . A 462 VAL CA . 19213 1 363 . 1 1 34 34 VAL CB C 13 33.016 0.25 . 1 . . . A 462 VAL CB . 19213 1 364 . 1 1 34 34 VAL CG1 C 13 21.364 0.25 . 1 . . . A 462 VAL CG1 . 19213 1 365 . 1 1 34 34 VAL CG2 C 13 21.000 0.25 . 1 . . . A 462 VAL CG2 . 19213 1 366 . 1 1 34 34 VAL N N 15 119.036 0.25 . 1 . . . A 462 VAL N . 19213 1 367 . 1 1 35 35 TYR H H 1 8.796 0.04 . 1 . . . A 463 TYR H . 19213 1 368 . 1 1 35 35 TYR HA H 1 4.634 0.04 . 1 . . . A 463 TYR HA . 19213 1 369 . 1 1 35 35 TYR HB2 H 1 2.067 0.04 . 1 . . . A 463 TYR HB2 . 19213 1 370 . 1 1 35 35 TYR HB3 H 1 2.649 0.04 . 1 . . . A 463 TYR HB3 . 19213 1 371 . 1 1 35 35 TYR HD1 H 1 6.130 0.04 . 1 . . . A 463 TYR HD1 . 19213 1 372 . 1 1 35 35 TYR HE1 H 1 6.370 0.04 . 1 . . . A 463 TYR HE1 . 19213 1 373 . 1 1 35 35 TYR C C 13 172.062 0.25 . 1 . . . A 463 TYR C . 19213 1 374 . 1 1 35 35 TYR CA C 13 54.971 0.25 . 1 . . . A 463 TYR CA . 19213 1 375 . 1 1 35 35 TYR CB C 13 40.572 0.25 . 1 . . . A 463 TYR CB . 19213 1 376 . 1 1 35 35 TYR CD1 C 13 132.200 0.25 . 1 . . . A 463 TYR CD1 . 19213 1 377 . 1 1 35 35 TYR CE1 C 13 118.000 0.25 . 1 . . . A 463 TYR CE1 . 19213 1 378 . 1 1 35 35 TYR N N 15 131.813 0.25 . 1 . . . A 463 TYR N . 19213 1 379 . 1 1 36 36 ALA H H 1 8.423 0.04 . 1 . . . A 464 ALA H . 19213 1 380 . 1 1 36 36 ALA HA H 1 3.810 0.04 . 1 . . . A 464 ALA HA . 19213 1 381 . 1 1 36 36 ALA HB1 H 1 0.786 0.04 . 1 . . . A 464 ALA HB1 . 19213 1 382 . 1 1 36 36 ALA HB2 H 1 0.786 0.04 . 1 . . . A 464 ALA HB2 . 19213 1 383 . 1 1 36 36 ALA HB3 H 1 0.786 0.04 . 1 . . . A 464 ALA HB3 . 19213 1 384 . 1 1 36 36 ALA C C 13 176.605 0.25 . 1 . . . A 464 ALA C . 19213 1 385 . 1 1 36 36 ALA CA C 13 50.931 0.25 . 1 . . . A 464 ALA CA . 19213 1 386 . 1 1 36 36 ALA CB C 13 21.945 0.25 . 1 . . . A 464 ALA CB . 19213 1 387 . 1 1 36 36 ALA N N 15 127.309 0.25 . 1 . . . A 464 ALA N . 19213 1 388 . 1 1 37 37 PHE H H 1 7.687 0.04 . 1 . . . A 465 PHE H . 19213 1 389 . 1 1 37 37 PHE HA H 1 4.635 0.04 . 1 . . . A 465 PHE HA . 19213 1 390 . 1 1 37 37 PHE HB2 H 1 2.482 0.04 . 1 . . . A 465 PHE HB2 . 19213 1 391 . 1 1 37 37 PHE HB3 H 1 2.970 0.04 . 1 . . . A 465 PHE HB3 . 19213 1 392 . 1 1 37 37 PHE HD2 H 1 6.510 0.04 . 1 . . . A 465 PHE HD2 . 19213 1 393 . 1 1 37 37 PHE HE2 H 1 6.630 0.04 . 1 . . . A 465 PHE HE2 . 19213 1 394 . 1 1 37 37 PHE HZ H 1 5.690 0.04 . 1 . . . A 465 PHE HZ . 19213 1 395 . 1 1 37 37 PHE C C 13 176.576 0.25 . 1 . . . A 465 PHE C . 19213 1 396 . 1 1 37 37 PHE CA C 13 57.430 0.25 . 1 . . . A 465 PHE CA . 19213 1 397 . 1 1 37 37 PHE CB C 13 41.434 0.25 . 1 . . . A 465 PHE CB . 19213 1 398 . 1 1 37 37 PHE CD2 C 13 130.100 0.25 . 1 . . . A 465 PHE CD2 . 19213 1 399 . 1 1 37 37 PHE CE2 C 13 131.300 0.25 . 1 . . . A 465 PHE CE2 . 19213 1 400 . 1 1 37 37 PHE CZ C 13 128.200 0.25 . 1 . . . A 465 PHE CZ . 19213 1 401 . 1 1 37 37 PHE N N 15 119.567 0.25 . 1 . . . A 465 PHE N . 19213 1 402 . 1 1 38 38 ASP H H 1 7.829 0.04 . 1 . . . A 466 ASP H . 19213 1 403 . 1 1 38 38 ASP HA H 1 4.699 0.04 . 1 . . . A 466 ASP HA . 19213 1 404 . 1 1 38 38 ASP HB2 H 1 2.638 0.04 . 1 . . . A 466 ASP HB2 . 19213 1 405 . 1 1 38 38 ASP HB3 H 1 3.200 0.04 . 1 . . . A 466 ASP HB3 . 19213 1 406 . 1 1 38 38 ASP C C 13 178.481 0.25 . 1 . . . A 466 ASP C . 19213 1 407 . 1 1 38 38 ASP CA C 13 51.837 0.25 . 1 . . . A 466 ASP CA . 19213 1 408 . 1 1 38 38 ASP CB C 13 40.950 0.25 . 1 . . . A 466 ASP CB . 19213 1 409 . 1 1 38 38 ASP N N 15 120.914 0.25 . 1 . . . A 466 ASP N . 19213 1 410 . 1 1 39 39 ASP H H 1 8.138 0.04 . 1 . . . A 467 ASP H . 19213 1 411 . 1 1 39 39 ASP HA H 1 4.018 0.04 . 1 . . . A 467 ASP HA . 19213 1 412 . 1 1 39 39 ASP HB2 H 1 2.520 0.04 . 1 . . . A 467 ASP HB2 . 19213 1 413 . 1 1 39 39 ASP HB3 H 1 2.570 0.04 . 1 . . . A 467 ASP HB3 . 19213 1 414 . 1 1 39 39 ASP C C 13 176.022 0.25 . 1 . . . A 467 ASP C . 19213 1 415 . 1 1 39 39 ASP CA C 13 56.052 0.25 . 1 . . . A 467 ASP CA . 19213 1 416 . 1 1 39 39 ASP CB C 13 40.144 0.25 . 1 . . . A 467 ASP CB . 19213 1 417 . 1 1 39 39 ASP N N 15 115.889 0.25 . 1 . . . A 467 ASP N . 19213 1 418 . 1 1 40 40 ASN H H 1 8.076 0.04 . 1 . . . A 468 ASN H . 19213 1 419 . 1 1 40 40 ASN HA H 1 4.954 0.04 . 1 . . . A 468 ASN HA . 19213 1 420 . 1 1 40 40 ASN HB2 H 1 2.526 0.04 . 1 . . . A 468 ASN HB2 . 19213 1 421 . 1 1 40 40 ASN HB3 H 1 2.869 0.04 . 1 . . . A 468 ASN HB3 . 19213 1 422 . 1 1 40 40 ASN HD21 H 1 7.770 0.04 . 1 . . . A 468 ASN HD21 . 19213 1 423 . 1 1 40 40 ASN HD22 H 1 6.810 0.04 . 1 . . . A 468 ASN HD22 . 19213 1 424 . 1 1 40 40 ASN C C 13 174.155 0.25 . 1 . . . A 468 ASN C . 19213 1 425 . 1 1 40 40 ASN CA C 13 52.052 0.25 . 1 . . . A 468 ASN CA . 19213 1 426 . 1 1 40 40 ASN CB C 13 39.733 0.25 . 1 . . . A 468 ASN CB . 19213 1 427 . 1 1 40 40 ASN N N 15 116.903 0.25 . 1 . . . A 468 ASN N . 19213 1 428 . 1 1 40 40 ASN ND2 N 15 113.800 0.25 . 1 . . . A 468 ASN ND2 . 19213 1 429 . 1 1 41 41 TYR H H 1 7.785 0.04 . 1 . . . A 469 TYR H . 19213 1 430 . 1 1 41 41 TYR HA H 1 3.249 0.04 . 1 . . . A 469 TYR HA . 19213 1 431 . 1 1 41 41 TYR HB2 H 1 2.513 0.04 . 1 . . . A 469 TYR HB2 . 19213 1 432 . 1 1 41 41 TYR HB3 H 1 2.752 0.04 . 1 . . . A 469 TYR HB3 . 19213 1 433 . 1 1 41 41 TYR HD1 H 1 5.950 0.04 . 1 . . . A 469 TYR HD1 . 19213 1 434 . 1 1 41 41 TYR HE1 H 1 6.620 0.04 . 1 . . . A 469 TYR HE1 . 19213 1 435 . 1 1 41 41 TYR C C 13 175.377 0.25 . 1 . . . A 469 TYR C . 19213 1 436 . 1 1 41 41 TYR CA C 13 61.891 0.25 . 1 . . . A 469 TYR CA . 19213 1 437 . 1 1 41 41 TYR CB C 13 34.352 0.25 . 1 . . . A 469 TYR CB . 19213 1 438 . 1 1 41 41 TYR CD1 C 13 131.900 0.25 . 1 . . . A 469 TYR CD1 . 19213 1 439 . 1 1 41 41 TYR CE1 C 13 118.500 0.25 . 1 . . . A 469 TYR CE1 . 19213 1 440 . 1 1 41 41 TYR N N 15 112.788 0.25 . 1 . . . A 469 TYR N . 19213 1 441 . 1 1 42 42 VAL H H 1 8.666 0.04 . 1 . . . A 470 VAL H . 19213 1 442 . 1 1 42 42 VAL HA H 1 4.010 0.04 . 1 . . . A 470 VAL HA . 19213 1 443 . 1 1 42 42 VAL HB H 1 2.240 0.04 . 1 . . . A 470 VAL HB . 19213 1 444 . 1 1 42 42 VAL HG11 H 1 0.870 0.04 . 1 . . . A 470 VAL HG11 . 19213 1 445 . 1 1 42 42 VAL HG12 H 1 0.870 0.04 . 1 . . . A 470 VAL HG12 . 19213 1 446 . 1 1 42 42 VAL HG13 H 1 0.870 0.04 . 1 . . . A 470 VAL HG13 . 19213 1 447 . 1 1 42 42 VAL HG21 H 1 0.690 0.04 . 1 . . . A 470 VAL HG21 . 19213 1 448 . 1 1 42 42 VAL HG22 H 1 0.690 0.04 . 1 . . . A 470 VAL HG22 . 19213 1 449 . 1 1 42 42 VAL HG23 H 1 0.690 0.04 . 1 . . . A 470 VAL HG23 . 19213 1 450 . 1 1 42 42 VAL CA C 13 63.699 0.25 . 1 . . . A 470 VAL CA . 19213 1 451 . 1 1 42 42 VAL CB C 13 30.721 0.25 . 1 . . . A 470 VAL CB . 19213 1 452 . 1 1 42 42 VAL CG1 C 13 21.100 0.25 . 1 . . . A 470 VAL CG1 . 19213 1 453 . 1 1 42 42 VAL N N 15 122.718 0.25 . 1 . . . A 470 VAL N . 19213 1 454 . 1 1 43 43 GLY HA3 H 1 4.191 0.04 . 1 . . . A 471 GLY HA3 . 19213 1 455 . 1 1 43 43 GLY C C 13 170.959 0.25 . 1 . . . A 471 GLY C . 19213 1 456 . 1 1 43 43 GLY CA C 13 43.674 0.25 . 1 . . . A 471 GLY CA . 19213 1 457 . 1 1 44 44 THR H H 1 8.150 0.04 . 1 . . . A 472 THR H . 19213 1 458 . 1 1 44 44 THR HA H 1 4.931 0.04 . 1 . . . A 472 THR HA . 19213 1 459 . 1 1 44 44 THR HB H 1 3.520 0.04 . 1 . . . A 472 THR HB . 19213 1 460 . 1 1 44 44 THR HG21 H 1 0.820 0.04 . 1 . . . A 472 THR HG21 . 19213 1 461 . 1 1 44 44 THR HG22 H 1 0.820 0.04 . 1 . . . A 472 THR HG22 . 19213 1 462 . 1 1 44 44 THR HG23 H 1 0.820 0.04 . 1 . . . A 472 THR HG23 . 19213 1 463 . 1 1 44 44 THR C C 13 174.282 0.25 . 1 . . . A 472 THR C . 19213 1 464 . 1 1 44 44 THR CA C 13 61.142 0.25 . 1 . . . A 472 THR CA . 19213 1 465 . 1 1 44 44 THR CB C 13 70.941 0.25 . 1 . . . A 472 THR CB . 19213 1 466 . 1 1 44 44 THR CG2 C 13 20.627 0.25 . 1 . . . A 472 THR CG2 . 19213 1 467 . 1 1 44 44 THR N N 15 118.003 0.25 . 1 . . . A 472 THR N . 19213 1 468 . 1 1 45 45 VAL H H 1 8.740 0.04 . 1 . . . A 473 VAL H . 19213 1 469 . 1 1 45 45 VAL HA H 1 4.552 0.04 . 1 . . . A 473 VAL HA . 19213 1 470 . 1 1 45 45 VAL HB H 1 2.515 0.04 . 1 . . . A 473 VAL HB . 19213 1 471 . 1 1 45 45 VAL HG11 H 1 0.763 0.04 . 1 . . . A 473 VAL HG11 . 19213 1 472 . 1 1 45 45 VAL HG12 H 1 0.763 0.04 . 1 . . . A 473 VAL HG12 . 19213 1 473 . 1 1 45 45 VAL HG13 H 1 0.763 0.04 . 1 . . . A 473 VAL HG13 . 19213 1 474 . 1 1 45 45 VAL HG21 H 1 0.968 0.04 . 1 . . . A 473 VAL HG21 . 19213 1 475 . 1 1 45 45 VAL HG22 H 1 0.968 0.04 . 1 . . . A 473 VAL HG22 . 19213 1 476 . 1 1 45 45 VAL HG23 H 1 0.968 0.04 . 1 . . . A 473 VAL HG23 . 19213 1 477 . 1 1 45 45 VAL C C 13 175.472 0.25 . 1 . . . A 473 VAL C . 19213 1 478 . 1 1 45 45 VAL CA C 13 62.066 0.25 . 1 . . . A 473 VAL CA . 19213 1 479 . 1 1 45 45 VAL CB C 13 29.572 0.25 . 1 . . . A 473 VAL CB . 19213 1 480 . 1 1 45 45 VAL CG1 C 13 22.325 0.25 . 1 . . . A 473 VAL CG1 . 19213 1 481 . 1 1 45 45 VAL CG2 C 13 20.864 0.25 . 1 . . . A 473 VAL CG2 . 19213 1 482 . 1 1 45 45 VAL N N 15 126.802 0.25 . 1 . . . A 473 VAL N . 19213 1 483 . 1 1 46 46 VAL H H 1 7.753 0.04 . 1 . . . A 474 VAL H . 19213 1 484 . 1 1 46 46 VAL HA H 1 4.394 0.04 . 1 . . . A 474 VAL HA . 19213 1 485 . 1 1 46 46 VAL HB H 1 2.285 0.04 . 1 . . . A 474 VAL HB . 19213 1 486 . 1 1 46 46 VAL HG11 H 1 0.745 0.04 . 1 . . . A 474 VAL HG11 . 19213 1 487 . 1 1 46 46 VAL HG12 H 1 0.745 0.04 . 1 . . . A 474 VAL HG12 . 19213 1 488 . 1 1 46 46 VAL HG13 H 1 0.745 0.04 . 1 . . . A 474 VAL HG13 . 19213 1 489 . 1 1 46 46 VAL HG21 H 1 0.264 0.04 . 1 . . . A 474 VAL HG21 . 19213 1 490 . 1 1 46 46 VAL HG22 H 1 0.264 0.04 . 1 . . . A 474 VAL HG22 . 19213 1 491 . 1 1 46 46 VAL HG23 H 1 0.264 0.04 . 1 . . . A 474 VAL HG23 . 19213 1 492 . 1 1 46 46 VAL C C 13 175.653 0.25 . 1 . . . A 474 VAL C . 19213 1 493 . 1 1 46 46 VAL CA C 13 62.168 0.25 . 1 . . . A 474 VAL CA . 19213 1 494 . 1 1 46 46 VAL CB C 13 32.041 0.25 . 1 . . . A 474 VAL CB . 19213 1 495 . 1 1 46 46 VAL CG1 C 13 22.063 0.25 . 1 . . . A 474 VAL CG1 . 19213 1 496 . 1 1 46 46 VAL CG2 C 13 19.229 0.25 . 1 . . . A 474 VAL CG2 . 19213 1 497 . 1 1 46 46 VAL N N 15 122.729 0.25 . 1 . . . A 474 VAL N . 19213 1 498 . 1 1 47 47 ALA H H 1 7.366 0.04 . 1 . . . A 475 ALA H . 19213 1 499 . 1 1 47 47 ALA HA H 1 4.493 0.04 . 1 . . . A 475 ALA HA . 19213 1 500 . 1 1 47 47 ALA HB1 H 1 1.228 0.04 . 1 . . . A 475 ALA HB1 . 19213 1 501 . 1 1 47 47 ALA HB2 H 1 1.228 0.04 . 1 . . . A 475 ALA HB2 . 19213 1 502 . 1 1 47 47 ALA HB3 H 1 1.228 0.04 . 1 . . . A 475 ALA HB3 . 19213 1 503 . 1 1 47 47 ALA C C 13 174.317 0.25 . 1 . . . A 475 ALA C . 19213 1 504 . 1 1 47 47 ALA CA C 13 52.144 0.25 . 1 . . . A 475 ALA CA . 19213 1 505 . 1 1 47 47 ALA CB C 13 23.434 0.25 . 1 . . . A 475 ALA CB . 19213 1 506 . 1 1 47 47 ALA N N 15 117.768 0.25 . 1 . . . A 475 ALA N . 19213 1 507 . 1 1 48 48 GLU H H 1 8.455 0.04 . 1 . . . A 476 GLU H . 19213 1 508 . 1 1 48 48 GLU HA H 1 5.143 0.04 . 1 . . . A 476 GLU HA . 19213 1 509 . 1 1 48 48 GLU HB2 H 1 1.630 0.04 . 1 . . . A 476 GLU HB2 . 19213 1 510 . 1 1 48 48 GLU HB3 H 1 1.970 0.04 . 1 . . . A 476 GLU HB3 . 19213 1 511 . 1 1 48 48 GLU HG3 H 1 1.857 0.04 . 1 . . . A 476 GLU HG3 . 19213 1 512 . 1 1 48 48 GLU C C 13 173.452 0.25 . 1 . . . A 476 GLU C . 19213 1 513 . 1 1 48 48 GLU CA C 13 55.216 0.25 . 1 . . . A 476 GLU CA . 19213 1 514 . 1 1 48 48 GLU CB C 13 36.288 0.25 . 1 . . . A 476 GLU CB . 19213 1 515 . 1 1 48 48 GLU CG C 13 37.512 0.25 . 1 . . . A 476 GLU CG . 19213 1 516 . 1 1 48 48 GLU N N 15 122.294 0.25 . 1 . . . A 476 GLU N . 19213 1 517 . 1 1 49 49 SER H H 1 8.867 0.04 . 1 . . . A 477 SER H . 19213 1 518 . 1 1 49 49 SER HA H 1 4.910 0.04 . 1 . . . A 477 SER HA . 19213 1 519 . 1 1 49 49 SER HB3 H 1 3.592 0.04 . 1 . . . A 477 SER HB3 . 19213 1 520 . 1 1 49 49 SER C C 13 173.417 0.25 . 1 . . . A 477 SER C . 19213 1 521 . 1 1 49 49 SER CA C 13 56.576 0.25 . 1 . . . A 477 SER CA . 19213 1 522 . 1 1 49 49 SER CB C 13 63.836 0.25 . 1 . . . A 477 SER CB . 19213 1 523 . 1 1 49 49 SER N N 15 121.014 0.25 . 1 . . . A 477 SER N . 19213 1 524 . 1 1 50 50 VAL H H 1 9.143 0.04 . 1 . . . A 478 VAL H . 19213 1 525 . 1 1 50 50 VAL HA H 1 5.361 0.04 . 1 . . . A 478 VAL HA . 19213 1 526 . 1 1 50 50 VAL HB H 1 2.077 0.04 . 1 . . . A 478 VAL HB . 19213 1 527 . 1 1 50 50 VAL HG11 H 1 1.402 0.04 . 1 . . . A 478 VAL HG11 . 19213 1 528 . 1 1 50 50 VAL HG12 H 1 1.402 0.04 . 1 . . . A 478 VAL HG12 . 19213 1 529 . 1 1 50 50 VAL HG13 H 1 1.402 0.04 . 1 . . . A 478 VAL HG13 . 19213 1 530 . 1 1 50 50 VAL HG21 H 1 1.000 0.04 . 1 . . . A 478 VAL HG21 . 19213 1 531 . 1 1 50 50 VAL HG22 H 1 1.000 0.04 . 1 . . . A 478 VAL HG22 . 19213 1 532 . 1 1 50 50 VAL HG23 H 1 1.000 0.04 . 1 . . . A 478 VAL HG23 . 19213 1 533 . 1 1 50 50 VAL C C 13 172.729 0.25 . 1 . . . A 478 VAL C . 19213 1 534 . 1 1 50 50 VAL CA C 13 58.657 0.25 . 1 . . . A 478 VAL CA . 19213 1 535 . 1 1 50 50 VAL CB C 13 35.971 0.25 . 1 . . . A 478 VAL CB . 19213 1 536 . 1 1 50 50 VAL CG1 C 13 21.585 0.25 . 1 . . . A 478 VAL CG1 . 19213 1 537 . 1 1 50 50 VAL CG2 C 13 18.830 0.25 . 1 . . . A 478 VAL CG2 . 19213 1 538 . 1 1 50 50 VAL N N 15 128.791 0.25 . 1 . . . A 478 VAL N . 19213 1 539 . 1 1 51 51 ALA H H 1 8.632 0.04 . 1 . . . A 479 ALA H . 19213 1 540 . 1 1 51 51 ALA HA H 1 4.373 0.04 . 1 . . . A 479 ALA HA . 19213 1 541 . 1 1 51 51 ALA HB1 H 1 1.837 0.04 . 1 . . . A 479 ALA HB1 . 19213 1 542 . 1 1 51 51 ALA HB2 H 1 1.837 0.04 . 1 . . . A 479 ALA HB2 . 19213 1 543 . 1 1 51 51 ALA HB3 H 1 1.837 0.04 . 1 . . . A 479 ALA HB3 . 19213 1 544 . 1 1 51 51 ALA C C 13 176.732 0.25 . 1 . . . A 479 ALA C . 19213 1 545 . 1 1 51 51 ALA CA C 13 52.231 0.25 . 1 . . . A 479 ALA CA . 19213 1 546 . 1 1 51 51 ALA CB C 13 20.053 0.25 . 1 . . . A 479 ALA CB . 19213 1 547 . 1 1 51 51 ALA N N 15 129.671 0.25 . 1 . . . A 479 ALA N . 19213 1 548 . 1 1 52 52 GLU H H 1 8.558 0.04 . 1 . . . A 480 GLU H . 19213 1 549 . 1 1 52 52 GLU HA H 1 4.028 0.04 . 1 . . . A 480 GLU HA . 19213 1 550 . 1 1 52 52 GLU HB2 H 1 1.929 0.04 . 1 . . . A 480 GLU HB2 . 19213 1 551 . 1 1 52 52 GLU HB3 H 1 1.996 0.04 . 1 . . . A 480 GLU HB3 . 19213 1 552 . 1 1 52 52 GLU HG3 H 1 2.295 0.04 . 1 . . . A 480 GLU HG3 . 19213 1 553 . 1 1 52 52 GLU C C 13 177.151 0.25 . 1 . . . A 480 GLU C . 19213 1 554 . 1 1 52 52 GLU CA C 13 58.179 0.25 . 1 . . . A 480 GLU CA . 19213 1 555 . 1 1 52 52 GLU CB C 13 29.797 0.25 . 1 . . . A 480 GLU CB . 19213 1 556 . 1 1 52 52 GLU CG C 13 36.265 0.25 . 1 . . . A 480 GLU CG . 19213 1 557 . 1 1 52 52 GLU N N 15 120.434 0.25 . 1 . . . A 480 GLU N . 19213 1 558 . 1 1 53 53 GLY H H 1 8.539 0.04 . 1 . . . A 481 GLY H . 19213 1 559 . 1 1 53 53 GLY HA2 H 1 3.401 0.04 . 1 . . . A 481 GLY HA2 . 19213 1 560 . 1 1 53 53 GLY HA3 H 1 3.860 0.04 . 1 . . . A 481 GLY HA3 . 19213 1 561 . 1 1 53 53 GLY C C 13 174.073 0.25 . 1 . . . A 481 GLY C . 19213 1 562 . 1 1 53 53 GLY CA C 13 44.681 0.25 . 1 . . . A 481 GLY CA . 19213 1 563 . 1 1 53 53 GLY N N 15 110.914 0.25 . 1 . . . A 481 GLY N . 19213 1 564 . 1 1 54 54 TRP H H 1 7.009 0.04 . 1 . . . A 482 TRP H . 19213 1 565 . 1 1 54 54 TRP HA H 1 5.290 0.04 . 1 . . . A 482 TRP HA . 19213 1 566 . 1 1 54 54 TRP HB2 H 1 2.910 0.04 . 1 . . . A 482 TRP HB2 . 19213 1 567 . 1 1 54 54 TRP HB3 H 1 3.120 0.04 . 1 . . . A 482 TRP HB3 . 19213 1 568 . 1 1 54 54 TRP HD1 H 1 7.140 0.04 . 1 . . . A 482 TRP HD1 . 19213 1 569 . 1 1 54 54 TRP HE1 H 1 9.910 0.04 . 1 . . . A 482 TRP HE1 . 19213 1 570 . 1 1 54 54 TRP HE3 H 1 7.410 0.04 . 1 . . . A 482 TRP HE3 . 19213 1 571 . 1 1 54 54 TRP HZ2 H 1 7.430 0.04 . 1 . . . A 482 TRP HZ2 . 19213 1 572 . 1 1 54 54 TRP HZ3 H 1 7.020 0.04 . 1 . . . A 482 TRP HZ3 . 19213 1 573 . 1 1 54 54 TRP HH2 H 1 7.100 0.04 . 1 . . . A 482 TRP HH2 . 19213 1 574 . 1 1 54 54 TRP CA C 13 53.659 0.25 . 1 . . . A 482 TRP CA . 19213 1 575 . 1 1 54 54 TRP CB C 13 29.487 0.25 . 1 . . . A 482 TRP CB . 19213 1 576 . 1 1 54 54 TRP CD1 C 13 128.300 0.25 . 1 . . . A 482 TRP CD1 . 19213 1 577 . 1 1 54 54 TRP CE3 C 13 120.100 0.25 . 1 . . . A 482 TRP CE3 . 19213 1 578 . 1 1 54 54 TRP CZ2 C 13 115.100 0.25 . 1 . . . A 482 TRP CZ2 . 19213 1 579 . 1 1 54 54 TRP CZ3 C 13 122.000 0.25 . 1 . . . A 482 TRP CZ3 . 19213 1 580 . 1 1 54 54 TRP CH2 C 13 124.500 0.25 . 1 . . . A 482 TRP CH2 . 19213 1 581 . 1 1 54 54 TRP N N 15 119.508 0.25 . 1 . . . A 482 TRP N . 19213 1 582 . 1 1 54 54 TRP NE1 N 15 127.700 0.25 . 1 . . . A 482 TRP NE1 . 19213 1 583 . 1 1 55 55 PRO HA H 1 4.426 0.04 . 1 . . . A 483 PRO HA . 19213 1 584 . 1 1 55 55 PRO HB2 H 1 1.722 0.04 . 1 . . . A 483 PRO HB2 . 19213 1 585 . 1 1 55 55 PRO HB3 H 1 2.518 0.04 . 1 . . . A 483 PRO HB3 . 19213 1 586 . 1 1 55 55 PRO HG2 H 1 2.210 0.04 . 1 . . . A 483 PRO HG2 . 19213 1 587 . 1 1 55 55 PRO HG3 H 1 2.300 0.04 . 1 . . . A 483 PRO HG3 . 19213 1 588 . 1 1 55 55 PRO C C 13 175.722 0.25 . 1 . . . A 483 PRO C . 19213 1 589 . 1 1 55 55 PRO CA C 13 63.259 0.25 . 1 . . . A 483 PRO CA . 19213 1 590 . 1 1 55 55 PRO CB C 13 33.238 0.25 . 1 . . . A 483 PRO CB . 19213 1 591 . 1 1 55 55 PRO CG C 13 28.171 0.25 . 1 . . . A 483 PRO CG . 19213 1 592 . 1 1 56 56 GLN H H 1 8.646 0.04 . 1 . . . A 484 GLN H . 19213 1 593 . 1 1 56 56 GLN HA H 1 4.936 0.04 . 1 . . . A 484 GLN HA . 19213 1 594 . 1 1 56 56 GLN HB2 H 1 2.020 0.04 . 1 . . . A 484 GLN HB2 . 19213 1 595 . 1 1 56 56 GLN HB3 H 1 2.170 0.04 . 1 . . . A 484 GLN HB3 . 19213 1 596 . 1 1 56 56 GLN HG2 H 1 2.313 0.04 . 1 . . . A 484 GLN HG2 . 19213 1 597 . 1 1 56 56 GLN HG3 H 1 2.480 0.04 . 1 . . . A 484 GLN HG3 . 19213 1 598 . 1 1 56 56 GLN HE21 H 1 7.700 0.04 . 1 . . . A 484 GLN HE21 . 19213 1 599 . 1 1 56 56 GLN HE22 H 1 6.890 0.04 . 1 . . . A 484 GLN HE22 . 19213 1 600 . 1 1 56 56 GLN C C 13 176.405 0.25 . 1 . . . A 484 GLN C . 19213 1 601 . 1 1 56 56 GLN CA C 13 55.688 0.25 . 1 . . . A 484 GLN CA . 19213 1 602 . 1 1 56 56 GLN CB C 13 29.565 0.25 . 1 . . . A 484 GLN CB . 19213 1 603 . 1 1 56 56 GLN CG C 13 34.632 0.25 . 1 . . . A 484 GLN CG . 19213 1 604 . 1 1 56 56 GLN N N 15 121.488 0.25 . 1 . . . A 484 GLN N . 19213 1 605 . 1 1 56 56 GLN NE2 N 15 112.400 0.25 . 1 . . . A 484 GLN NE2 . 19213 1 606 . 1 1 57 57 ALA H H 1 11.964 0.04 . 1 . . . A 485 ALA H . 19213 1 607 . 1 1 57 57 ALA HA H 1 4.340 0.04 . 1 . . . A 485 ALA HA . 19213 1 608 . 1 1 57 57 ALA HB1 H 1 1.293 0.04 . 1 . . . A 485 ALA HB1 . 19213 1 609 . 1 1 57 57 ALA HB2 H 1 1.293 0.04 . 1 . . . A 485 ALA HB2 . 19213 1 610 . 1 1 57 57 ALA HB3 H 1 1.293 0.04 . 1 . . . A 485 ALA HB3 . 19213 1 611 . 1 1 57 57 ALA C C 13 176.317 0.25 . 1 . . . A 485 ALA C . 19213 1 612 . 1 1 57 57 ALA CA C 13 51.289 0.25 . 1 . . . A 485 ALA CA . 19213 1 613 . 1 1 57 57 ALA CB C 13 20.581 0.25 . 1 . . . A 485 ALA CB . 19213 1 614 . 1 1 57 57 ALA N N 15 133.617 0.25 . 1 . . . A 485 ALA N . 19213 1 615 . 1 1 58 58 ARG H H 1 8.235 0.04 . 1 . . . A 486 ARG H . 19213 1 616 . 1 1 58 58 ARG HA H 1 3.300 0.04 . 1 . . . A 486 ARG HA . 19213 1 617 . 1 1 58 58 ARG HB2 H 1 2.120 0.04 . 1 . . . A 486 ARG HB2 . 19213 1 618 . 1 1 58 58 ARG HB3 H 1 1.590 0.04 . 1 . . . A 486 ARG HB3 . 19213 1 619 . 1 1 58 58 ARG HG2 H 1 1.170 0.04 . 1 . . . A 486 ARG HG2 . 19213 1 620 . 1 1 58 58 ARG HG3 H 1 1.616 0.04 . 1 . . . A 486 ARG HG3 . 19213 1 621 . 1 1 58 58 ARG HD3 H 1 3.370 0.04 . 1 . . . A 486 ARG HD3 . 19213 1 622 . 1 1 58 58 ARG HE H 1 7.820 0.04 . 1 . . . A 486 ARG HE . 19213 1 623 . 1 1 58 58 ARG C C 13 175.502 0.25 . 1 . . . A 486 ARG C . 19213 1 624 . 1 1 58 58 ARG CA C 13 59.200 0.25 . 1 . . . A 486 ARG CA . 19213 1 625 . 1 1 58 58 ARG CB C 13 30.648 0.25 . 1 . . . A 486 ARG CB . 19213 1 626 . 1 1 58 58 ARG CG C 13 27.962 0.25 . 1 . . . A 486 ARG CG . 19213 1 627 . 1 1 58 58 ARG CD C 13 43.100 0.25 . 1 . . . A 486 ARG CD . 19213 1 628 . 1 1 58 58 ARG N N 15 119.720 0.25 . 1 . . . A 486 ARG N . 19213 1 629 . 1 1 58 58 ARG NE N 15 85.400 0.25 . 1 . . . A 486 ARG NE . 19213 1 630 . 1 1 59 59 ASP H H 1 9.023 0.04 . 1 . . . A 487 ASP H . 19213 1 631 . 1 1 59 59 ASP HA H 1 4.141 0.04 . 1 . . . A 487 ASP HA . 19213 1 632 . 1 1 59 59 ASP HB2 H 1 2.807 0.04 . 1 . . . A 487 ASP HB2 . 19213 1 633 . 1 1 59 59 ASP HB3 H 1 3.175 0.04 . 1 . . . A 487 ASP HB3 . 19213 1 634 . 1 1 59 59 ASP C C 13 175.557 0.25 . 1 . . . A 487 ASP C . 19213 1 635 . 1 1 59 59 ASP CA C 13 57.148 0.25 . 1 . . . A 487 ASP CA . 19213 1 636 . 1 1 59 59 ASP CB C 13 39.031 0.25 . 1 . . . A 487 ASP CB . 19213 1 637 . 1 1 59 59 ASP N N 15 119.936 0.25 . 1 . . . A 487 ASP N . 19213 1 638 . 1 1 60 60 GLN H H 1 8.200 0.04 . 1 . . . A 488 GLN H . 19213 1 639 . 1 1 60 60 GLN HA H 1 4.147 0.04 . 1 . . . A 488 GLN HA . 19213 1 640 . 1 1 60 60 GLN HB2 H 1 1.961 0.04 . 1 . . . A 488 GLN HB2 . 19213 1 641 . 1 1 60 60 GLN HB3 H 1 2.132 0.04 . 1 . . . A 488 GLN HB3 . 19213 1 642 . 1 1 60 60 GLN HG2 H 1 2.297 0.04 . 1 . . . A 488 GLN HG2 . 19213 1 643 . 1 1 60 60 GLN HG3 H 1 2.381 0.04 . 1 . . . A 488 GLN HG3 . 19213 1 644 . 1 1 60 60 GLN HE21 H 1 7.300 0.04 . 1 . . . A 488 GLN HE21 . 19213 1 645 . 1 1 60 60 GLN HE22 H 1 6.500 0.04 . 1 . . . A 488 GLN HE22 . 19213 1 646 . 1 1 60 60 GLN C C 13 174.993 0.25 . 1 . . . A 488 GLN C . 19213 1 647 . 1 1 60 60 GLN CA C 13 57.475 0.25 . 1 . . . A 488 GLN CA . 19213 1 648 . 1 1 60 60 GLN CB C 13 28.866 0.25 . 1 . . . A 488 GLN CB . 19213 1 649 . 1 1 60 60 GLN CG C 13 34.773 0.25 . 1 . . . A 488 GLN CG . 19213 1 650 . 1 1 60 60 GLN N N 15 119.954 0.25 . 1 . . . A 488 GLN N . 19213 1 651 . 1 1 60 60 GLN NE2 N 15 110.100 0.25 . 1 . . . A 488 GLN NE2 . 19213 1 652 . 1 1 61 61 VAL H H 1 8.379 0.04 . 1 . . . A 489 VAL H . 19213 1 653 . 1 1 61 61 VAL HA H 1 4.593 0.04 . 1 . . . A 489 VAL HA . 19213 1 654 . 1 1 61 61 VAL HB H 1 1.907 0.04 . 1 . . . A 489 VAL HB . 19213 1 655 . 1 1 61 61 VAL HG11 H 1 0.953 0.04 . 1 . . . A 489 VAL HG11 . 19213 1 656 . 1 1 61 61 VAL HG12 H 1 0.953 0.04 . 1 . . . A 489 VAL HG12 . 19213 1 657 . 1 1 61 61 VAL HG13 H 1 0.953 0.04 . 1 . . . A 489 VAL HG13 . 19213 1 658 . 1 1 61 61 VAL HG21 H 1 0.723 0.04 . 1 . . . A 489 VAL HG21 . 19213 1 659 . 1 1 61 61 VAL HG22 H 1 0.723 0.04 . 1 . . . A 489 VAL HG22 . 19213 1 660 . 1 1 61 61 VAL HG23 H 1 0.723 0.04 . 1 . . . A 489 VAL HG23 . 19213 1 661 . 1 1 61 61 VAL C C 13 177.060 0.25 . 1 . . . A 489 VAL C . 19213 1 662 . 1 1 61 61 VAL CA C 13 61.871 0.25 . 1 . . . A 489 VAL CA . 19213 1 663 . 1 1 61 61 VAL CB C 13 32.575 0.25 . 1 . . . A 489 VAL CB . 19213 1 664 . 1 1 61 61 VAL CG1 C 13 20.863 0.25 . 1 . . . A 489 VAL CG1 . 19213 1 665 . 1 1 61 61 VAL CG2 C 13 20.800 0.25 . 1 . . . A 489 VAL CG2 . 19213 1 666 . 1 1 61 61 VAL N N 15 124.202 0.25 . 1 . . . A 489 VAL N . 19213 1 667 . 1 1 62 62 ILE H H 1 8.952 0.04 . 1 . . . A 490 ILE H . 19213 1 668 . 1 1 62 62 ILE HA H 1 4.433 0.04 . 1 . . . A 490 ILE HA . 19213 1 669 . 1 1 62 62 ILE HB H 1 1.836 0.04 . 1 . . . A 490 ILE HB . 19213 1 670 . 1 1 62 62 ILE HG12 H 1 1.500 0.04 . 1 . . . A 490 ILE HG12 . 19213 1 671 . 1 1 62 62 ILE HG13 H 1 1.110 0.04 . 1 . . . A 490 ILE HG13 . 19213 1 672 . 1 1 62 62 ILE HG21 H 1 0.850 0.04 . 1 . . . A 490 ILE HG21 . 19213 1 673 . 1 1 62 62 ILE HG22 H 1 0.850 0.04 . 1 . . . A 490 ILE HG22 . 19213 1 674 . 1 1 62 62 ILE HG23 H 1 0.850 0.04 . 1 . . . A 490 ILE HG23 . 19213 1 675 . 1 1 62 62 ILE HD11 H 1 0.810 0.04 . 1 . . . A 490 ILE HD11 . 19213 1 676 . 1 1 62 62 ILE HD12 H 1 0.810 0.04 . 1 . . . A 490 ILE HD12 . 19213 1 677 . 1 1 62 62 ILE HD13 H 1 0.810 0.04 . 1 . . . A 490 ILE HD13 . 19213 1 678 . 1 1 62 62 ILE C C 13 174.634 0.25 . 1 . . . A 490 ILE C . 19213 1 679 . 1 1 62 62 ILE CA C 13 60.464 0.25 . 1 . . . A 490 ILE CA . 19213 1 680 . 1 1 62 62 ILE CB C 13 41.025 0.25 . 1 . . . A 490 ILE CB . 19213 1 681 . 1 1 62 62 ILE CG1 C 13 26.762 0.25 . 1 . . . A 490 ILE CG1 . 19213 1 682 . 1 1 62 62 ILE CG2 C 13 17.539 0.25 . 1 . . . A 490 ILE CG2 . 19213 1 683 . 1 1 62 62 ILE CD1 C 13 13.643 0.25 . 1 . . . A 490 ILE CD1 . 19213 1 684 . 1 1 62 62 ILE N N 15 128.772 0.25 . 1 . . . A 490 ILE N . 19213 1 685 . 1 1 63 63 GLU H H 1 9.289 0.04 . 1 . . . A 491 GLU H . 19213 1 686 . 1 1 63 63 GLU HA H 1 4.598 0.04 . 1 . . . A 491 GLU HA . 19213 1 687 . 1 1 63 63 GLU HG2 H 1 2.010 0.04 . 1 . . . A 491 GLU HG2 . 19213 1 688 . 1 1 63 63 GLU HG3 H 1 2.137 0.04 . 1 . . . A 491 GLU HG3 . 19213 1 689 . 1 1 63 63 GLU C C 13 174.015 0.25 . 1 . . . A 491 GLU C . 19213 1 690 . 1 1 63 63 GLU CA C 13 55.930 0.25 . 1 . . . A 491 GLU CA . 19213 1 691 . 1 1 63 63 GLU CB C 13 28.942 0.25 . 1 . . . A 491 GLU CB . 19213 1 692 . 1 1 63 63 GLU CG C 13 36.481 0.25 . 1 . . . A 491 GLU CG . 19213 1 693 . 1 1 63 63 GLU N N 15 130.867 0.25 . 1 . . . A 491 GLU N . 19213 1 694 . 1 1 64 64 ASP H H 1 9.437 0.04 . 1 . . . A 492 ASP H . 19213 1 695 . 1 1 64 64 ASP HA H 1 5.210 0.04 . 1 . . . A 492 ASP HA . 19213 1 696 . 1 1 64 64 ASP HB2 H 1 2.900 0.04 . 1 . . . A 492 ASP HB2 . 19213 1 697 . 1 1 64 64 ASP HB3 H 1 3.450 0.04 . 1 . . . A 492 ASP HB3 . 19213 1 698 . 1 1 64 64 ASP CA C 13 50.160 0.25 . 1 . . . A 492 ASP CA . 19213 1 699 . 1 1 64 64 ASP CB C 13 43.965 0.25 . 1 . . . A 492 ASP CB . 19213 1 700 . 1 1 64 64 ASP N N 15 130.401 0.25 . 1 . . . A 492 ASP N . 19213 1 701 . 1 1 65 65 PRO HA H 1 4.359 0.04 . 1 . . . A 493 PRO HA . 19213 1 702 . 1 1 65 65 PRO HB2 H 1 1.894 0.04 . 1 . . . A 493 PRO HB2 . 19213 1 703 . 1 1 65 65 PRO HB3 H 1 2.239 0.04 . 1 . . . A 493 PRO HB3 . 19213 1 704 . 1 1 65 65 PRO HG2 H 1 1.540 0.04 . 1 . . . A 493 PRO HG2 . 19213 1 705 . 1 1 65 65 PRO HG3 H 1 1.800 0.04 . 1 . . . A 493 PRO HG3 . 19213 1 706 . 1 1 65 65 PRO HD2 H 1 3.610 0.04 . 1 . . . A 493 PRO HD2 . 19213 1 707 . 1 1 65 65 PRO HD3 H 1 3.640 0.04 . 1 . . . A 493 PRO HD3 . 19213 1 708 . 1 1 65 65 PRO C C 13 176.079 0.25 . 1 . . . A 493 PRO C . 19213 1 709 . 1 1 65 65 PRO CA C 13 63.617 0.25 . 1 . . . A 493 PRO CA . 19213 1 710 . 1 1 65 65 PRO CB C 13 33.300 0.25 . 1 . . . A 493 PRO CB . 19213 1 711 . 1 1 65 65 PRO CG C 13 26.302 0.25 . 1 . . . A 493 PRO CG . 19213 1 712 . 1 1 65 65 PRO CD C 13 51.643 0.25 . 1 . . . A 493 PRO CD . 19213 1 713 . 1 1 66 66 CYS H H 1 8.806 0.04 . 1 . . . A 494 CYS H . 19213 1 714 . 1 1 66 66 CYS HA H 1 4.147 0.04 . 1 . . . A 494 CYS HA . 19213 1 715 . 1 1 66 66 CYS HB2 H 1 2.415 0.04 . 1 . . . A 494 CYS HB2 . 19213 1 716 . 1 1 66 66 CYS HB3 H 1 3.198 0.04 . 1 . . . A 494 CYS HB3 . 19213 1 717 . 1 1 66 66 CYS C C 13 176.789 0.25 . 1 . . . A 494 CYS C . 19213 1 718 . 1 1 66 66 CYS CA C 13 58.195 0.25 . 1 . . . A 494 CYS CA . 19213 1 719 . 1 1 66 66 CYS CB C 13 33.343 0.25 . 1 . . . A 494 CYS CB . 19213 1 720 . 1 1 66 66 CYS N N 15 117.251 0.25 . 1 . . . A 494 CYS N . 19213 1 721 . 1 1 67 67 PHE H H 1 6.799 0.04 . 1 . . . A 495 PHE H . 19213 1 722 . 1 1 67 67 PHE HA H 1 4.328 0.04 . 1 . . . A 495 PHE HA . 19213 1 723 . 1 1 67 67 PHE HB2 H 1 2.583 0.04 . 1 . . . A 495 PHE HB2 . 19213 1 724 . 1 1 67 67 PHE HB3 H 1 3.385 0.04 . 1 . . . A 495 PHE HB3 . 19213 1 725 . 1 1 67 67 PHE HD2 H 1 7.000 0.04 . 1 . . . A 495 PHE HD2 . 19213 1 726 . 1 1 67 67 PHE HE2 H 1 6.030 0.04 . 1 . . . A 495 PHE HE2 . 19213 1 727 . 1 1 67 67 PHE HZ H 1 6.270 0.04 . 1 . . . A 495 PHE HZ . 19213 1 728 . 1 1 67 67 PHE C C 13 176.529 0.25 . 1 . . . A 495 PHE C . 19213 1 729 . 1 1 67 67 PHE CA C 13 63.265 0.25 . 1 . . . A 495 PHE CA . 19213 1 730 . 1 1 67 67 PHE CB C 13 37.239 0.25 . 1 . . . A 495 PHE CB . 19213 1 731 . 1 1 67 67 PHE CD2 C 13 133.200 0.25 . 1 . . . A 495 PHE CD2 . 19213 1 732 . 1 1 67 67 PHE CE2 C 13 129.800 0.25 . 1 . . . A 495 PHE CE2 . 19213 1 733 . 1 1 67 67 PHE N N 15 118.785 0.25 . 1 . . . A 495 PHE N . 19213 1 734 . 1 1 68 68 ARG H H 1 9.000 0.04 . 1 . . . A 496 ARG H . 19213 1 735 . 1 1 68 68 ARG HA H 1 3.692 0.04 . 1 . . . A 496 ARG HA . 19213 1 736 . 1 1 68 68 ARG HB2 H 1 1.748 0.04 . 1 . . . A 496 ARG HB2 . 19213 1 737 . 1 1 68 68 ARG HB3 H 1 1.982 0.04 . 1 . . . A 496 ARG HB3 . 19213 1 738 . 1 1 68 68 ARG HG2 H 1 1.470 0.04 . 1 . . . A 496 ARG HG2 . 19213 1 739 . 1 1 68 68 ARG HG3 H 1 1.730 0.04 . 1 . . . A 496 ARG HG3 . 19213 1 740 . 1 1 68 68 ARG HD3 H 1 3.310 0.04 . 1 . . . A 496 ARG HD3 . 19213 1 741 . 1 1 68 68 ARG HE H 1 7.350 0.04 . 1 . . . A 496 ARG HE . 19213 1 742 . 1 1 68 68 ARG C C 13 178.119 0.25 . 1 . . . A 496 ARG C . 19213 1 743 . 1 1 68 68 ARG CA C 13 58.495 0.25 . 1 . . . A 496 ARG CA . 19213 1 744 . 1 1 68 68 ARG CB C 13 29.942 0.25 . 1 . . . A 496 ARG CB . 19213 1 745 . 1 1 68 68 ARG CG C 13 26.888 0.25 . 1 . . . A 496 ARG CG . 19213 1 746 . 1 1 68 68 ARG CD C 13 43.566 0.25 . 1 . . . A 496 ARG CD . 19213 1 747 . 1 1 68 68 ARG N N 15 118.755 0.25 . 1 . . . A 496 ARG N . 19213 1 748 . 1 1 68 68 ARG NE N 15 84.500 0.25 . 1 . . . A 496 ARG NE . 19213 1 749 . 1 1 69 69 GLU H H 1 7.849 0.04 . 1 . . . A 497 GLU H . 19213 1 750 . 1 1 69 69 GLU HA H 1 3.858 0.04 . 1 . . . A 497 GLU HA . 19213 1 751 . 1 1 69 69 GLU HB2 H 1 1.440 0.04 . 1 . . . A 497 GLU HB2 . 19213 1 752 . 1 1 69 69 GLU HB3 H 1 1.349 0.04 . 1 . . . A 497 GLU HB3 . 19213 1 753 . 1 1 69 69 GLU HG2 H 1 2.310 0.04 . 1 . . . A 497 GLU HG2 . 19213 1 754 . 1 1 69 69 GLU HG3 H 1 2.003 0.04 . 1 . . . A 497 GLU HG3 . 19213 1 755 . 1 1 69 69 GLU C C 13 177.981 0.25 . 1 . . . A 497 GLU C . 19213 1 756 . 1 1 69 69 GLU CA C 13 58.920 0.25 . 1 . . . A 497 GLU CA . 19213 1 757 . 1 1 69 69 GLU CB C 13 29.841 0.25 . 1 . . . A 497 GLU CB . 19213 1 758 . 1 1 69 69 GLU CG C 13 36.805 0.25 . 1 . . . A 497 GLU CG . 19213 1 759 . 1 1 69 69 GLU N N 15 115.895 0.25 . 1 . . . A 497 GLU N . 19213 1 760 . 1 1 70 70 HIS H H 1 7.717 0.04 . 1 . . . A 498 HIS H . 19213 1 761 . 1 1 70 70 HIS HA H 1 4.710 0.04 . 1 . . . A 498 HIS HA . 19213 1 762 . 1 1 70 70 HIS HB2 H 1 1.790 0.04 . 1 . . . A 498 HIS HB2 . 19213 1 763 . 1 1 70 70 HIS HB3 H 1 2.430 0.04 . 1 . . . A 498 HIS HB3 . 19213 1 764 . 1 1 70 70 HIS HE1 H 1 7.980 0.04 . 1 . . . A 498 HIS HE1 . 19213 1 765 . 1 1 70 70 HIS CA C 13 55.904 0.25 . 1 . . . A 498 HIS CA . 19213 1 766 . 1 1 70 70 HIS CB C 13 30.890 0.25 . 1 . . . A 498 HIS CB . 19213 1 767 . 1 1 70 70 HIS CE1 C 13 137.100 0.25 . 1 . . . A 498 HIS CE1 . 19213 1 768 . 1 1 70 70 HIS N N 15 111.119 0.25 . 1 . . . A 498 HIS N . 19213 1 769 . 1 1 71 71 TRP HA H 1 5.476 0.04 . 1 . . . A 499 TRP HA . 19213 1 770 . 1 1 71 71 TRP HB2 H 1 3.082 0.04 . 1 . . . A 499 TRP HB2 . 19213 1 771 . 1 1 71 71 TRP HB3 H 1 4.210 0.04 . 1 . . . A 499 TRP HB3 . 19213 1 772 . 1 1 71 71 TRP HD1 H 1 6.940 0.04 . 1 . . . A 499 TRP HD1 . 19213 1 773 . 1 1 71 71 TRP HE1 H 1 11.720 0.04 . 1 . . . A 499 TRP HE1 . 19213 1 774 . 1 1 71 71 TRP HZ2 H 1 7.300 0.04 . 1 . . . A 499 TRP HZ2 . 19213 1 775 . 1 1 71 71 TRP HH2 H 1 7.020 0.04 . 1 . . . A 499 TRP HH2 . 19213 1 776 . 1 1 71 71 TRP C C 13 176.398 0.25 . 1 . . . A 499 TRP C . 19213 1 777 . 1 1 71 71 TRP CA C 13 58.111 0.25 . 1 . . . A 499 TRP CA . 19213 1 778 . 1 1 71 71 TRP CB C 13 34.294 0.25 . 1 . . . A 499 TRP CB . 19213 1 779 . 1 1 71 71 TRP CD1 C 13 127.900 0.25 . 1 . . . A 499 TRP CD1 . 19213 1 780 . 1 1 71 71 TRP CZ2 C 13 114.900 0.25 . 1 . . . A 499 TRP CZ2 . 19213 1 781 . 1 1 71 71 TRP CH2 C 13 124.300 0.25 . 1 . . . A 499 TRP CH2 . 19213 1 782 . 1 1 71 71 TRP NE1 N 15 131.600 0.25 . 1 . . . A 499 TRP NE1 . 19213 1 783 . 1 1 72 72 VAL H H 1 8.071 0.04 . 1 . . . A 500 VAL H . 19213 1 784 . 1 1 72 72 VAL HA H 1 3.421 0.04 . 1 . . . A 500 VAL HA . 19213 1 785 . 1 1 72 72 VAL HB H 1 1.681 0.04 . 1 . . . A 500 VAL HB . 19213 1 786 . 1 1 72 72 VAL HG11 H 1 0.028 0.04 . 1 . . . A 500 VAL HG11 . 19213 1 787 . 1 1 72 72 VAL HG12 H 1 0.028 0.04 . 1 . . . A 500 VAL HG12 . 19213 1 788 . 1 1 72 72 VAL HG13 H 1 0.028 0.04 . 1 . . . A 500 VAL HG13 . 19213 1 789 . 1 1 72 72 VAL HG21 H 1 0.575 0.04 . 1 . . . A 500 VAL HG21 . 19213 1 790 . 1 1 72 72 VAL HG22 H 1 0.575 0.04 . 1 . . . A 500 VAL HG22 . 19213 1 791 . 1 1 72 72 VAL HG23 H 1 0.575 0.04 . 1 . . . A 500 VAL HG23 . 19213 1 792 . 1 1 72 72 VAL C C 13 177.163 0.25 . 1 . . . A 500 VAL C . 19213 1 793 . 1 1 72 72 VAL CA C 13 68.043 0.25 . 1 . . . A 500 VAL CA . 19213 1 794 . 1 1 72 72 VAL CB C 13 31.127 0.25 . 1 . . . A 500 VAL CB . 19213 1 795 . 1 1 72 72 VAL CG1 C 13 21.076 0.25 . 1 . . . A 500 VAL CG1 . 19213 1 796 . 1 1 72 72 VAL CG2 C 13 20.900 0.25 . 1 . . . A 500 VAL CG2 . 19213 1 797 . 1 1 72 72 VAL N N 15 121.907 0.25 . 1 . . . A 500 VAL N . 19213 1 798 . 1 1 73 73 GLU H H 1 8.188 0.04 . 1 . . . A 501 GLU H . 19213 1 799 . 1 1 73 73 GLU HA H 1 4.130 0.04 . 1 . . . A 501 GLU HA . 19213 1 800 . 1 1 73 73 GLU HB2 H 1 1.888 0.04 . 1 . . . A 501 GLU HB2 . 19213 1 801 . 1 1 73 73 GLU HB3 H 1 1.909 0.04 . 1 . . . A 501 GLU HB3 . 19213 1 802 . 1 1 73 73 GLU HG3 H 1 2.253 0.04 . 1 . . . A 501 GLU HG3 . 19213 1 803 . 1 1 73 73 GLU C C 13 178.314 0.25 . 1 . . . A 501 GLU C . 19213 1 804 . 1 1 73 73 GLU CA C 13 58.781 0.25 . 1 . . . A 501 GLU CA . 19213 1 805 . 1 1 73 73 GLU CB C 13 28.631 0.25 . 1 . . . A 501 GLU CB . 19213 1 806 . 1 1 73 73 GLU CG C 13 35.661 0.25 . 1 . . . A 501 GLU CG . 19213 1 807 . 1 1 73 73 GLU N N 15 117.634 0.25 . 1 . . . A 501 GLU N . 19213 1 808 . 1 1 74 74 ALA H H 1 7.996 0.04 . 1 . . . A 502 ALA H . 19213 1 809 . 1 1 74 74 ALA HA H 1 4.106 0.04 . 1 . . . A 502 ALA HA . 19213 1 810 . 1 1 74 74 ALA HB1 H 1 1.686 0.04 . 1 . . . A 502 ALA HB1 . 19213 1 811 . 1 1 74 74 ALA HB2 H 1 1.686 0.04 . 1 . . . A 502 ALA HB2 . 19213 1 812 . 1 1 74 74 ALA HB3 H 1 1.686 0.04 . 1 . . . A 502 ALA HB3 . 19213 1 813 . 1 1 74 74 ALA C C 13 181.963 0.25 . 1 . . . A 502 ALA C . 19213 1 814 . 1 1 74 74 ALA CA C 13 54.953 0.25 . 1 . . . A 502 ALA CA . 19213 1 815 . 1 1 74 74 ALA CB C 13 18.558 0.25 . 1 . . . A 502 ALA CB . 19213 1 816 . 1 1 74 74 ALA N N 15 120.830 0.25 . 1 . . . A 502 ALA N . 19213 1 817 . 1 1 75 75 TYR H H 1 8.665 0.04 . 1 . . . A 503 TYR H . 19213 1 818 . 1 1 75 75 TYR HA H 1 4.362 0.04 . 1 . . . A 503 TYR HA . 19213 1 819 . 1 1 75 75 TYR HB2 H 1 2.930 0.04 . 1 . . . A 503 TYR HB2 . 19213 1 820 . 1 1 75 75 TYR HB3 H 1 2.976 0.04 . 1 . . . A 503 TYR HB3 . 19213 1 821 . 1 1 75 75 TYR HD1 H 1 7.220 0.04 . 1 . . . A 503 TYR HD1 . 19213 1 822 . 1 1 75 75 TYR HE1 H 1 6.570 0.04 . 1 . . . A 503 TYR HE1 . 19213 1 823 . 1 1 75 75 TYR C C 13 178.723 0.25 . 1 . . . A 503 TYR C . 19213 1 824 . 1 1 75 75 TYR CA C 13 64.148 0.25 . 1 . . . A 503 TYR CA . 19213 1 825 . 1 1 75 75 TYR CB C 13 39.126 0.25 . 1 . . . A 503 TYR CB . 19213 1 826 . 1 1 75 75 TYR CD1 C 13 132.800 0.25 . 1 . . . A 503 TYR CD1 . 19213 1 827 . 1 1 75 75 TYR CE1 C 13 119.900 0.25 . 1 . . . A 503 TYR CE1 . 19213 1 828 . 1 1 75 75 TYR N N 15 118.238 0.25 . 1 . . . A 503 TYR N . 19213 1 829 . 1 1 76 76 ARG H H 1 8.824 0.04 . 1 . . . A 504 ARG H . 19213 1 830 . 1 1 76 76 ARG HA H 1 3.905 0.04 . 1 . . . A 504 ARG HA . 19213 1 831 . 1 1 76 76 ARG HB2 H 1 1.978 0.04 . 1 . . . A 504 ARG HB2 . 19213 1 832 . 1 1 76 76 ARG HB3 H 1 2.131 0.04 . 1 . . . A 504 ARG HB3 . 19213 1 833 . 1 1 76 76 ARG HG3 H 1 1.570 0.04 . 1 . . . A 504 ARG HG3 . 19213 1 834 . 1 1 76 76 ARG HD2 H 1 3.080 0.04 . 1 . . . A 504 ARG HD2 . 19213 1 835 . 1 1 76 76 ARG HD3 H 1 3.470 0.04 . 1 . . . A 504 ARG HD3 . 19213 1 836 . 1 1 76 76 ARG HE H 1 7.550 0.04 . 1 . . . A 504 ARG HE . 19213 1 837 . 1 1 76 76 ARG C C 13 177.714 0.25 . 1 . . . A 504 ARG C . 19213 1 838 . 1 1 76 76 ARG CA C 13 59.679 0.25 . 1 . . . A 504 ARG CA . 19213 1 839 . 1 1 76 76 ARG CB C 13 30.495 0.25 . 1 . . . A 504 ARG CB . 19213 1 840 . 1 1 76 76 ARG CG C 13 28.356 0.25 . 1 . . . A 504 ARG CG . 19213 1 841 . 1 1 76 76 ARG CD C 13 43.408 0.25 . 1 . . . A 504 ARG CD . 19213 1 842 . 1 1 76 76 ARG N N 15 121.723 0.25 . 1 . . . A 504 ARG N . 19213 1 843 . 1 1 76 76 ARG NE N 15 83.200 0.25 . 1 . . . A 504 ARG NE . 19213 1 844 . 1 1 77 77 GLN H H 1 7.613 0.04 . 1 . . . A 505 GLN H . 19213 1 845 . 1 1 77 77 GLN HA H 1 4.332 0.04 . 1 . . . A 505 GLN HA . 19213 1 846 . 1 1 77 77 GLN HB2 H 1 1.948 0.04 . 1 . . . A 505 GLN HB2 . 19213 1 847 . 1 1 77 77 GLN HB3 H 1 2.464 0.04 . 1 . . . A 505 GLN HB3 . 19213 1 848 . 1 1 77 77 GLN HG2 H 1 2.367 0.04 . 1 . . . A 505 GLN HG2 . 19213 1 849 . 1 1 77 77 GLN HG3 H 1 2.558 0.04 . 1 . . . A 505 GLN HG3 . 19213 1 850 . 1 1 77 77 GLN HE21 H 1 7.530 0.04 . 1 . . . A 505 GLN HE21 . 19213 1 851 . 1 1 77 77 GLN HE22 H 1 6.760 0.04 . 1 . . . A 505 GLN HE22 . 19213 1 852 . 1 1 77 77 GLN C C 13 176.403 0.25 . 1 . . . A 505 GLN C . 19213 1 853 . 1 1 77 77 GLN CA C 13 55.387 0.25 . 1 . . . A 505 GLN CA . 19213 1 854 . 1 1 77 77 GLN CB C 13 28.792 0.25 . 1 . . . A 505 GLN CB . 19213 1 855 . 1 1 77 77 GLN CG C 13 34.006 0.25 . 1 . . . A 505 GLN CG . 19213 1 856 . 1 1 77 77 GLN N N 15 113.473 0.25 . 1 . . . A 505 GLN N . 19213 1 857 . 1 1 77 77 GLN NE2 N 15 111.800 0.25 . 1 . . . A 505 GLN NE2 . 19213 1 858 . 1 1 78 78 GLY H H 1 7.867 0.04 . 1 . . . A 506 GLY H . 19213 1 859 . 1 1 78 78 GLY HA2 H 1 3.671 0.04 . 1 . . . A 506 GLY HA2 . 19213 1 860 . 1 1 78 78 GLY HA3 H 1 4.370 0.04 . 1 . . . A 506 GLY HA3 . 19213 1 861 . 1 1 78 78 GLY C C 13 174.133 0.25 . 1 . . . A 506 GLY C . 19213 1 862 . 1 1 78 78 GLY CA C 13 45.874 0.25 . 1 . . . A 506 GLY CA . 19213 1 863 . 1 1 78 78 GLY N N 15 106.968 0.25 . 1 . . . A 506 GLY N . 19213 1 864 . 1 1 79 79 ARG H H 1 7.858 0.04 . 1 . . . A 507 ARG H . 19213 1 865 . 1 1 79 79 ARG HA H 1 3.717 0.04 . 1 . . . A 507 ARG HA . 19213 1 866 . 1 1 79 79 ARG HB2 H 1 0.360 0.04 . 1 . . . A 507 ARG HB2 . 19213 1 867 . 1 1 79 79 ARG HB3 H 1 1.030 0.04 . 1 . . . A 507 ARG HB3 . 19213 1 868 . 1 1 79 79 ARG HG2 H 1 0.385 0.04 . 1 . . . A 507 ARG HG2 . 19213 1 869 . 1 1 79 79 ARG HG3 H 1 1.268 0.04 . 1 . . . A 507 ARG HG3 . 19213 1 870 . 1 1 79 79 ARG C C 13 171.000 0.25 . 1 . . . A 507 ARG C . 19213 1 871 . 1 1 79 79 ARG CA C 13 58.285 0.25 . 1 . . . A 507 ARG CA . 19213 1 872 . 1 1 79 79 ARG CB C 13 29.901 0.25 . 1 . . . A 507 ARG CB . 19213 1 873 . 1 1 79 79 ARG CG C 13 27.976 0.25 . 1 . . . A 507 ARG CG . 19213 1 874 . 1 1 79 79 ARG N N 15 123.761 0.25 . 1 . . . A 507 ARG N . 19213 1 875 . 1 1 80 80 ILE H H 1 7.180 0.04 . 1 . . . A 508 ILE H . 19213 1 876 . 1 1 80 80 ILE HA H 1 4.859 0.04 . 1 . . . A 508 ILE HA . 19213 1 877 . 1 1 80 80 ILE HB H 1 1.626 0.04 . 1 . . . A 508 ILE HB . 19213 1 878 . 1 1 80 80 ILE HG12 H 1 1.129 0.04 . 1 . . . A 508 ILE HG12 . 19213 1 879 . 1 1 80 80 ILE HG13 H 1 1.850 0.04 . 1 . . . A 508 ILE HG13 . 19213 1 880 . 1 1 80 80 ILE HG21 H 1 0.854 0.04 . 1 . . . A 508 ILE HG21 . 19213 1 881 . 1 1 80 80 ILE HG22 H 1 0.854 0.04 . 1 . . . A 508 ILE HG22 . 19213 1 882 . 1 1 80 80 ILE HG23 H 1 0.854 0.04 . 1 . . . A 508 ILE HG23 . 19213 1 883 . 1 1 80 80 ILE HD11 H 1 0.890 0.04 . 1 . . . A 508 ILE HD11 . 19213 1 884 . 1 1 80 80 ILE HD12 H 1 0.890 0.04 . 1 . . . A 508 ILE HD12 . 19213 1 885 . 1 1 80 80 ILE HD13 H 1 0.890 0.04 . 1 . . . A 508 ILE HD13 . 19213 1 886 . 1 1 80 80 ILE C C 13 176.521 0.25 . 1 . . . A 508 ILE C . 19213 1 887 . 1 1 80 80 ILE CA C 13 59.199 0.25 . 1 . . . A 508 ILE CA . 19213 1 888 . 1 1 80 80 ILE CB C 13 42.573 0.25 . 1 . . . A 508 ILE CB . 19213 1 889 . 1 1 80 80 ILE CG1 C 13 27.255 0.25 . 1 . . . A 508 ILE CG1 . 19213 1 890 . 1 1 80 80 ILE CG2 C 13 17.735 0.25 . 1 . . . A 508 ILE CG2 . 19213 1 891 . 1 1 80 80 ILE CD1 C 13 14.322 0.25 . 1 . . . A 508 ILE CD1 . 19213 1 892 . 1 1 80 80 ILE N N 15 119.641 0.25 . 1 . . . A 508 ILE N . 19213 1 893 . 1 1 81 81 GLN H H 1 8.536 0.04 . 1 . . . A 509 GLN H . 19213 1 894 . 1 1 81 81 GLN HA H 1 4.918 0.04 . 1 . . . A 509 GLN HA . 19213 1 895 . 1 1 81 81 GLN HB2 H 1 1.759 0.04 . 1 . . . A 509 GLN HB2 . 19213 1 896 . 1 1 81 81 GLN HB3 H 1 1.881 0.04 . 1 . . . A 509 GLN HB3 . 19213 1 897 . 1 1 81 81 GLN HG3 H 1 2.063 0.04 . 1 . . . A 509 GLN HG3 . 19213 1 898 . 1 1 81 81 GLN HE21 H 1 6.950 0.04 . 1 . . . A 509 GLN HE21 . 19213 1 899 . 1 1 81 81 GLN HE22 H 1 6.480 0.04 . 1 . . . A 509 GLN HE22 . 19213 1 900 . 1 1 81 81 GLN C C 13 173.750 0.25 . 1 . . . A 509 GLN C . 19213 1 901 . 1 1 81 81 GLN CA C 13 54.255 0.25 . 1 . . . A 509 GLN CA . 19213 1 902 . 1 1 81 81 GLN CB C 13 32.267 0.25 . 1 . . . A 509 GLN CB . 19213 1 903 . 1 1 81 81 GLN CG C 13 33.671 0.25 . 1 . . . A 509 GLN CG . 19213 1 904 . 1 1 81 81 GLN N N 15 125.871 0.25 . 1 . . . A 509 GLN N . 19213 1 905 . 1 1 81 81 GLN NE2 N 15 111.100 0.25 . 1 . . . A 509 GLN NE2 . 19213 1 906 . 1 1 82 82 ALA H H 1 8.865 0.04 . 1 . . . A 510 ALA H . 19213 1 907 . 1 1 82 82 ALA HA H 1 4.946 0.04 . 1 . . . A 510 ALA HA . 19213 1 908 . 1 1 82 82 ALA HB1 H 1 1.347 0.04 . 1 . . . A 510 ALA HB1 . 19213 1 909 . 1 1 82 82 ALA HB2 H 1 1.347 0.04 . 1 . . . A 510 ALA HB2 . 19213 1 910 . 1 1 82 82 ALA HB3 H 1 1.347 0.04 . 1 . . . A 510 ALA HB3 . 19213 1 911 . 1 1 82 82 ALA C C 13 175.742 0.25 . 1 . . . A 510 ALA C . 19213 1 912 . 1 1 82 82 ALA CA C 13 51.009 0.25 . 1 . . . A 510 ALA CA . 19213 1 913 . 1 1 82 82 ALA CB C 13 21.245 0.25 . 1 . . . A 510 ALA CB . 19213 1 914 . 1 1 82 82 ALA N N 15 133.952 0.25 . 1 . . . A 510 ALA N . 19213 1 915 . 1 1 83 83 THR H H 1 9.368 0.04 . 1 . . . A 511 THR H . 19213 1 916 . 1 1 83 83 THR HA H 1 4.652 0.04 . 1 . . . A 511 THR HA . 19213 1 917 . 1 1 83 83 THR HB H 1 4.345 0.04 . 1 . . . A 511 THR HB . 19213 1 918 . 1 1 83 83 THR HG21 H 1 1.020 0.04 . 1 . . . A 511 THR HG21 . 19213 1 919 . 1 1 83 83 THR HG22 H 1 1.020 0.04 . 1 . . . A 511 THR HG22 . 19213 1 920 . 1 1 83 83 THR HG23 H 1 1.020 0.04 . 1 . . . A 511 THR HG23 . 19213 1 921 . 1 1 83 83 THR C C 13 174.487 0.25 . 1 . . . A 511 THR C . 19213 1 922 . 1 1 83 83 THR CA C 13 62.152 0.25 . 1 . . . A 511 THR CA . 19213 1 923 . 1 1 83 83 THR CB C 13 69.678 0.25 . 1 . . . A 511 THR CB . 19213 1 924 . 1 1 83 83 THR CG2 C 13 22.281 0.25 . 1 . . . A 511 THR CG2 . 19213 1 925 . 1 1 83 83 THR N N 15 121.442 0.25 . 1 . . . A 511 THR N . 19213 1 926 . 1 1 84 84 THR H H 1 8.829 0.04 . 1 . . . A 512 THR H . 19213 1 927 . 1 1 84 84 THR HA H 1 4.706 0.04 . 1 . . . A 512 THR HA . 19213 1 928 . 1 1 84 84 THR HB H 1 3.959 0.04 . 1 . . . A 512 THR HB . 19213 1 929 . 1 1 84 84 THR HG21 H 1 1.009 0.04 . 1 . . . A 512 THR HG21 . 19213 1 930 . 1 1 84 84 THR HG22 H 1 1.009 0.04 . 1 . . . A 512 THR HG22 . 19213 1 931 . 1 1 84 84 THR HG23 H 1 1.009 0.04 . 1 . . . A 512 THR HG23 . 19213 1 932 . 1 1 84 84 THR C C 13 173.054 0.25 . 1 . . . A 512 THR C . 19213 1 933 . 1 1 84 84 THR CA C 13 63.609 0.25 . 1 . . . A 512 THR CA . 19213 1 934 . 1 1 84 84 THR CB C 13 69.408 0.25 . 1 . . . A 512 THR CB . 19213 1 935 . 1 1 84 84 THR CG2 C 13 22.254 0.25 . 1 . . . A 512 THR CG2 . 19213 1 936 . 1 1 84 84 THR N N 15 126.491 0.25 . 1 . . . A 512 THR N . 19213 1 937 . 1 1 85 85 ASP H H 1 7.272 0.04 . 1 . . . A 513 ASP H . 19213 1 938 . 1 1 85 85 ASP HA H 1 5.022 0.04 . 1 . . . A 513 ASP HA . 19213 1 939 . 1 1 85 85 ASP HB2 H 1 2.657 0.04 . 1 . . . A 513 ASP HB2 . 19213 1 940 . 1 1 85 85 ASP HB3 H 1 2.370 0.04 . 1 . . . A 513 ASP HB3 . 19213 1 941 . 1 1 85 85 ASP C C 13 179.097 0.25 . 1 . . . A 513 ASP C . 19213 1 942 . 1 1 85 85 ASP CA C 13 52.164 0.25 . 1 . . . A 513 ASP CA . 19213 1 943 . 1 1 85 85 ASP CB C 13 42.331 0.25 . 1 . . . A 513 ASP CB . 19213 1 944 . 1 1 85 85 ASP N N 15 113.706 0.25 . 1 . . . A 513 ASP N . 19213 1 945 . 1 1 86 86 ILE H H 1 8.916 0.04 . 1 . . . A 514 ILE H . 19213 1 946 . 1 1 86 86 ILE HA H 1 3.636 0.04 . 1 . . . A 514 ILE HA . 19213 1 947 . 1 1 86 86 ILE HB H 1 1.409 0.04 . 1 . . . A 514 ILE HB . 19213 1 948 . 1 1 86 86 ILE HG13 H 1 0.575 0.04 . 1 . . . A 514 ILE HG13 . 19213 1 949 . 1 1 86 86 ILE HG21 H 1 0.428 0.04 . 1 . . . A 514 ILE HG21 . 19213 1 950 . 1 1 86 86 ILE HG22 H 1 0.428 0.04 . 1 . . . A 514 ILE HG22 . 19213 1 951 . 1 1 86 86 ILE HG23 H 1 0.428 0.04 . 1 . . . A 514 ILE HG23 . 19213 1 952 . 1 1 86 86 ILE HD11 H 1 0.270 0.04 . 1 . . . A 514 ILE HD11 . 19213 1 953 . 1 1 86 86 ILE HD12 H 1 0.270 0.04 . 1 . . . A 514 ILE HD12 . 19213 1 954 . 1 1 86 86 ILE HD13 H 1 0.270 0.04 . 1 . . . A 514 ILE HD13 . 19213 1 955 . 1 1 86 86 ILE C C 13 175.769 0.25 . 1 . . . A 514 ILE C . 19213 1 956 . 1 1 86 86 ILE CA C 13 63.545 0.25 . 1 . . . A 514 ILE CA . 19213 1 957 . 1 1 86 86 ILE CB C 13 38.180 0.25 . 1 . . . A 514 ILE CB . 19213 1 958 . 1 1 86 86 ILE CG1 C 13 26.255 0.25 . 1 . . . A 514 ILE CG1 . 19213 1 959 . 1 1 86 86 ILE CG2 C 13 17.239 0.25 . 1 . . . A 514 ILE CG2 . 19213 1 960 . 1 1 86 86 ILE CD1 C 13 14.926 0.25 . 1 . . . A 514 ILE CD1 . 19213 1 961 . 1 1 86 86 ILE N N 15 123.327 0.25 . 1 . . . A 514 ILE N . 19213 1 962 . 1 1 87 87 PHE H H 1 8.154 0.04 . 1 . . . A 515 PHE H . 19213 1 963 . 1 1 87 87 PHE HA H 1 4.517 0.04 . 1 . . . A 515 PHE HA . 19213 1 964 . 1 1 87 87 PHE HB2 H 1 3.011 0.04 . 1 . . . A 515 PHE HB2 . 19213 1 965 . 1 1 87 87 PHE HB3 H 1 3.398 0.04 . 1 . . . A 515 PHE HB3 . 19213 1 966 . 1 1 87 87 PHE HD1 H 1 7.260 0.04 . 1 . . . A 515 PHE HD1 . 19213 1 967 . 1 1 87 87 PHE HE1 H 1 7.270 0.04 . 1 . . . A 515 PHE HE1 . 19213 1 968 . 1 1 87 87 PHE C C 13 176.514 0.25 . 1 . . . A 515 PHE C . 19213 1 969 . 1 1 87 87 PHE CA C 13 58.401 0.25 . 1 . . . A 515 PHE CA . 19213 1 970 . 1 1 87 87 PHE CB C 13 37.600 0.25 . 1 . . . A 515 PHE CB . 19213 1 971 . 1 1 87 87 PHE CD1 C 13 131.400 0.25 . 1 . . . A 515 PHE CD1 . 19213 1 972 . 1 1 87 87 PHE N N 15 117.344 0.25 . 1 . . . A 515 PHE N . 19213 1 973 . 1 1 88 88 LYS H H 1 7.634 0.04 . 1 . . . A 516 LYS H . 19213 1 974 . 1 1 88 88 LYS HA H 1 4.715 0.04 . 1 . . . A 516 LYS HA . 19213 1 975 . 1 1 88 88 LYS HB2 H 1 1.505 0.04 . 1 . . . A 516 LYS HB2 . 19213 1 976 . 1 1 88 88 LYS HB3 H 1 2.176 0.04 . 1 . . . A 516 LYS HB3 . 19213 1 977 . 1 1 88 88 LYS HG3 H 1 1.305 0.04 . 1 . . . A 516 LYS HG3 . 19213 1 978 . 1 1 88 88 LYS HD2 H 1 1.640 0.04 . 1 . . . A 516 LYS HD2 . 19213 1 979 . 1 1 88 88 LYS HD3 H 1 1.680 0.04 . 1 . . . A 516 LYS HD3 . 19213 1 980 . 1 1 88 88 LYS HE3 H 1 2.987 0.04 . 1 . . . A 516 LYS HE3 . 19213 1 981 . 1 1 88 88 LYS C C 13 175.486 0.25 . 1 . . . A 516 LYS C . 19213 1 982 . 1 1 88 88 LYS CA C 13 54.831 0.25 . 1 . . . A 516 LYS CA . 19213 1 983 . 1 1 88 88 LYS CB C 13 33.581 0.25 . 1 . . . A 516 LYS CB . 19213 1 984 . 1 1 88 88 LYS CG C 13 25.084 0.25 . 1 . . . A 516 LYS CG . 19213 1 985 . 1 1 88 88 LYS CD C 13 29.254 0.25 . 1 . . . A 516 LYS CD . 19213 1 986 . 1 1 88 88 LYS CE C 13 42.293 0.25 . 1 . . . A 516 LYS CE . 19213 1 987 . 1 1 88 88 LYS N N 15 120.351 0.25 . 1 . . . A 516 LYS N . 19213 1 988 . 1 1 89 89 ALA H H 1 7.552 0.04 . 1 . . . A 517 ALA H . 19213 1 989 . 1 1 89 89 ALA HA H 1 4.561 0.04 . 1 . . . A 517 ALA HA . 19213 1 990 . 1 1 89 89 ALA HB1 H 1 1.290 0.04 . 1 . . . A 517 ALA HB1 . 19213 1 991 . 1 1 89 89 ALA HB2 H 1 1.290 0.04 . 1 . . . A 517 ALA HB2 . 19213 1 992 . 1 1 89 89 ALA HB3 H 1 1.290 0.04 . 1 . . . A 517 ALA HB3 . 19213 1 993 . 1 1 89 89 ALA C C 13 176.799 0.25 . 1 . . . A 517 ALA C . 19213 1 994 . 1 1 89 89 ALA CA C 13 51.980 0.25 . 1 . . . A 517 ALA CA . 19213 1 995 . 1 1 89 89 ALA CB C 13 20.779 0.25 . 1 . . . A 517 ALA CB . 19213 1 996 . 1 1 89 89 ALA N N 15 122.264 0.25 . 1 . . . A 517 ALA N . 19213 1 997 . 1 1 90 90 GLY H H 1 8.499 0.04 . 1 . . . A 518 GLY H . 19213 1 998 . 1 1 90 90 GLY HA2 H 1 3.746 0.04 . 1 . . . A 518 GLY HA2 . 19213 1 999 . 1 1 90 90 GLY HA3 H 1 3.890 0.04 . 1 . . . A 518 GLY HA3 . 19213 1 1000 . 1 1 90 90 GLY C C 13 175.260 0.25 . 1 . . . A 518 GLY C . 19213 1 1001 . 1 1 90 90 GLY CA C 13 46.252 0.25 . 1 . . . A 518 GLY CA . 19213 1 1002 . 1 1 90 90 GLY N N 15 110.102 0.25 . 1 . . . A 518 GLY N . 19213 1 1003 . 1 1 91 91 LEU H H 1 8.418 0.04 . 1 . . . A 519 LEU H . 19213 1 1004 . 1 1 91 91 LEU HA H 1 4.285 0.04 . 1 . . . A 519 LEU HA . 19213 1 1005 . 1 1 91 91 LEU HB2 H 1 0.740 0.04 . 1 . . . A 519 LEU HB2 . 19213 1 1006 . 1 1 91 91 LEU HB3 H 1 1.593 0.04 . 1 . . . A 519 LEU HB3 . 19213 1 1007 . 1 1 91 91 LEU HG H 1 1.220 0.04 . 1 . . . A 519 LEU HG . 19213 1 1008 . 1 1 91 91 LEU HD11 H 1 0.248 0.04 . 1 . . . A 519 LEU HD11 . 19213 1 1009 . 1 1 91 91 LEU HD12 H 1 0.248 0.04 . 1 . . . A 519 LEU HD12 . 19213 1 1010 . 1 1 91 91 LEU HD13 H 1 0.248 0.04 . 1 . . . A 519 LEU HD13 . 19213 1 1011 . 1 1 91 91 LEU HD21 H 1 0.052 0.04 . 1 . . . A 519 LEU HD21 . 19213 1 1012 . 1 1 91 91 LEU HD22 H 1 0.052 0.04 . 1 . . . A 519 LEU HD22 . 19213 1 1013 . 1 1 91 91 LEU HD23 H 1 0.052 0.04 . 1 . . . A 519 LEU HD23 . 19213 1 1014 . 1 1 91 91 LEU C C 13 176.687 0.25 . 1 . . . A 519 LEU C . 19213 1 1015 . 1 1 91 91 LEU CA C 13 54.291 0.25 . 1 . . . A 519 LEU CA . 19213 1 1016 . 1 1 91 91 LEU CB C 13 42.942 0.25 . 1 . . . A 519 LEU CB . 19213 1 1017 . 1 1 91 91 LEU CG C 13 26.300 0.25 . 1 . . . A 519 LEU CG . 19213 1 1018 . 1 1 91 91 LEU CD1 C 13 23.500 0.25 . 1 . . . A 519 LEU CD1 . 19213 1 1019 . 1 1 91 91 LEU CD2 C 13 21.200 0.25 . 1 . . . A 519 LEU CD2 . 19213 1 1020 . 1 1 91 91 LEU N N 15 120.980 0.25 . 1 . . . A 519 LEU N . 19213 1 1021 . 1 1 92 92 THR H H 1 6.149 0.04 . 1 . . . A 520 THR H . 19213 1 1022 . 1 1 92 92 THR HA H 1 4.420 0.04 . 1 . . . A 520 THR HA . 19213 1 1023 . 1 1 92 92 THR HG21 H 1 1.360 0.04 . 1 . . . A 520 THR HG21 . 19213 1 1024 . 1 1 92 92 THR HG22 H 1 1.360 0.04 . 1 . . . A 520 THR HG22 . 19213 1 1025 . 1 1 92 92 THR HG23 H 1 1.360 0.04 . 1 . . . A 520 THR HG23 . 19213 1 1026 . 1 1 92 92 THR CA C 13 60.231 0.25 . 1 . . . A 520 THR CA . 19213 1 1027 . 1 1 92 92 THR CB C 13 71.205 0.25 . 1 . . . A 520 THR CB . 19213 1 1028 . 1 1 92 92 THR N N 15 107.429 0.25 . 1 . . . A 520 THR N . 19213 1 1029 . 1 1 93 93 GLU H H 1 7.290 0.04 . 1 . . . A 521 GLU H . 19213 1 1030 . 1 1 93 93 GLU HA H 1 4.173 0.04 . 1 . . . A 521 GLU HA . 19213 1 1031 . 1 1 93 93 GLU HB3 H 1 1.988 0.04 . 1 . . . A 521 GLU HB3 . 19213 1 1032 . 1 1 93 93 GLU HG2 H 1 2.219 0.04 . 1 . . . A 521 GLU HG2 . 19213 1 1033 . 1 1 93 93 GLU HG3 H 1 2.940 0.04 . 1 . . . A 521 GLU HG3 . 19213 1 1034 . 1 1 93 93 GLU C C 13 176.567 0.25 . 1 . . . A 521 GLU C . 19213 1 1035 . 1 1 93 93 GLU CA C 13 57.220 0.25 . 1 . . . A 521 GLU CA . 19213 1 1036 . 1 1 93 93 GLU CB C 13 30.353 0.25 . 1 . . . A 521 GLU CB . 19213 1 1037 . 1 1 93 93 GLU CG C 13 36.281 0.25 . 1 . . . A 521 GLU CG . 19213 1 1038 . 1 1 93 93 GLU N N 15 118.700 0.25 . 1 . . . A 521 GLU N . 19213 1 1039 . 1 1 94 94 CYS H H 1 8.218 0.04 . 1 . . . A 522 CYS H . 19213 1 1040 . 1 1 94 94 CYS HA H 1 4.139 0.04 . 1 . . . A 522 CYS HA . 19213 1 1041 . 1 1 94 94 CYS HB2 H 1 2.620 0.04 . 1 . . . A 522 CYS HB2 . 19213 1 1042 . 1 1 94 94 CYS HB3 H 1 3.084 0.04 . 1 . . . A 522 CYS HB3 . 19213 1 1043 . 1 1 94 94 CYS C C 13 177.769 0.25 . 1 . . . A 522 CYS C . 19213 1 1044 . 1 1 94 94 CYS CA C 13 61.379 0.25 . 1 . . . A 522 CYS CA . 19213 1 1045 . 1 1 94 94 CYS CB C 13 32.851 0.25 . 1 . . . A 522 CYS CB . 19213 1 1046 . 1 1 94 94 CYS N N 15 121.185 0.25 . 1 . . . A 522 CYS N . 19213 1 1047 . 1 1 95 95 HIS H H 1 7.333 0.04 . 1 . . . A 523 HIS H . 19213 1 1048 . 1 1 95 95 HIS HA H 1 3.796 0.04 . 1 . . . A 523 HIS HA . 19213 1 1049 . 1 1 95 95 HIS HB3 H 1 3.170 0.04 . 1 . . . A 523 HIS HB3 . 19213 1 1050 . 1 1 95 95 HIS HD2 H 1 6.100 0.04 . 1 . . . A 523 HIS HD2 . 19213 1 1051 . 1 1 95 95 HIS HE1 H 1 7.700 0.04 . 1 . . . A 523 HIS HE1 . 19213 1 1052 . 1 1 95 95 HIS C C 13 177.832 0.25 . 1 . . . A 523 HIS C . 19213 1 1053 . 1 1 95 95 HIS CA C 13 59.058 0.25 . 1 . . . A 523 HIS CA . 19213 1 1054 . 1 1 95 95 HIS CB C 13 28.841 0.25 . 1 . . . A 523 HIS CB . 19213 1 1055 . 1 1 95 95 HIS CE1 C 13 138.400 0.25 . 1 . . . A 523 HIS CE1 . 19213 1 1056 . 1 1 95 95 HIS N N 15 117.000 0.25 . 1 . . . A 523 HIS N . 19213 1 1057 . 1 1 96 96 LEU H H 1 8.582 0.04 . 1 . . . A 524 LEU H . 19213 1 1058 . 1 1 96 96 LEU HA H 1 3.792 0.04 . 1 . . . A 524 LEU HA . 19213 1 1059 . 1 1 96 96 LEU HB2 H 1 1.279 0.04 . 1 . . . A 524 LEU HB2 . 19213 1 1060 . 1 1 96 96 LEU HB3 H 1 1.890 0.04 . 1 . . . A 524 LEU HB3 . 19213 1 1061 . 1 1 96 96 LEU HG H 1 1.590 0.04 . 1 . . . A 524 LEU HG . 19213 1 1062 . 1 1 96 96 LEU HD11 H 1 0.840 0.04 . 1 . . . A 524 LEU HD11 . 19213 1 1063 . 1 1 96 96 LEU HD12 H 1 0.840 0.04 . 1 . . . A 524 LEU HD12 . 19213 1 1064 . 1 1 96 96 LEU HD13 H 1 0.840 0.04 . 1 . . . A 524 LEU HD13 . 19213 1 1065 . 1 1 96 96 LEU HD21 H 1 0.570 0.04 . 1 . . . A 524 LEU HD21 . 19213 1 1066 . 1 1 96 96 LEU HD22 H 1 0.570 0.04 . 1 . . . A 524 LEU HD22 . 19213 1 1067 . 1 1 96 96 LEU HD23 H 1 0.570 0.04 . 1 . . . A 524 LEU HD23 . 19213 1 1068 . 1 1 96 96 LEU C C 13 180.184 0.25 . 1 . . . A 524 LEU C . 19213 1 1069 . 1 1 96 96 LEU CA C 13 58.223 0.25 . 1 . . . A 524 LEU CA . 19213 1 1070 . 1 1 96 96 LEU CB C 13 41.482 0.25 . 1 . . . A 524 LEU CB . 19213 1 1071 . 1 1 96 96 LEU CD1 C 13 25.662 0.25 . 1 . . . A 524 LEU CD1 . 19213 1 1072 . 1 1 96 96 LEU CD2 C 13 22.969 0.25 . 1 . . . A 524 LEU CD2 . 19213 1 1073 . 1 1 96 96 LEU N N 15 117.403 0.25 . 1 . . . A 524 LEU N . 19213 1 1074 . 1 1 97 97 ASN H H 1 9.226 0.04 . 1 . . . A 525 ASN H . 19213 1 1075 . 1 1 97 97 ASN HA H 1 4.534 0.04 . 1 . . . A 525 ASN HA . 19213 1 1076 . 1 1 97 97 ASN HB2 H 1 2.845 0.04 . 1 . . . A 525 ASN HB2 . 19213 1 1077 . 1 1 97 97 ASN HB3 H 1 2.985 0.04 . 1 . . . A 525 ASN HB3 . 19213 1 1078 . 1 1 97 97 ASN HD21 H 1 7.760 0.04 . 1 . . . A 525 ASN HD21 . 19213 1 1079 . 1 1 97 97 ASN HD22 H 1 7.050 0.04 . 1 . . . A 525 ASN HD22 . 19213 1 1080 . 1 1 97 97 ASN C C 13 177.023 0.25 . 1 . . . A 525 ASN C . 19213 1 1081 . 1 1 97 97 ASN CA C 13 55.784 0.25 . 1 . . . A 525 ASN CA . 19213 1 1082 . 1 1 97 97 ASN CB C 13 38.017 0.25 . 1 . . . A 525 ASN CB . 19213 1 1083 . 1 1 97 97 ASN N N 15 118.149 0.25 . 1 . . . A 525 ASN N . 19213 1 1084 . 1 1 97 97 ASN ND2 N 15 112.900 0.25 . 1 . . . A 525 ASN ND2 . 19213 1 1085 . 1 1 98 98 GLN H H 1 7.290 0.04 . 1 . . . A 526 GLN H . 19213 1 1086 . 1 1 98 98 GLN HA H 1 4.358 0.04 . 1 . . . A 526 GLN HA . 19213 1 1087 . 1 1 98 98 GLN HB2 H 1 1.913 0.04 . 1 . . . A 526 GLN HB2 . 19213 1 1088 . 1 1 98 98 GLN HB3 H 1 2.062 0.04 . 1 . . . A 526 GLN HB3 . 19213 1 1089 . 1 1 98 98 GLN HG2 H 1 2.273 0.04 . 1 . . . A 526 GLN HG2 . 19213 1 1090 . 1 1 98 98 GLN HG3 H 1 2.561 0.04 . 1 . . . A 526 GLN HG3 . 19213 1 1091 . 1 1 98 98 GLN HE21 H 1 7.260 0.04 . 1 . . . A 526 GLN HE21 . 19213 1 1092 . 1 1 98 98 GLN HE22 H 1 6.810 0.04 . 1 . . . A 526 GLN HE22 . 19213 1 1093 . 1 1 98 98 GLN C C 13 175.801 0.25 . 1 . . . A 526 GLN C . 19213 1 1094 . 1 1 98 98 GLN CA C 13 57.008 0.25 . 1 . . . A 526 GLN CA . 19213 1 1095 . 1 1 98 98 GLN CB C 13 28.586 0.25 . 1 . . . A 526 GLN CB . 19213 1 1096 . 1 1 98 98 GLN CG C 13 33.783 0.25 . 1 . . . A 526 GLN CG . 19213 1 1097 . 1 1 98 98 GLN N N 15 115.619 0.25 . 1 . . . A 526 GLN N . 19213 1 1098 . 1 1 98 98 GLN NE2 N 15 112.300 0.25 . 1 . . . A 526 GLN NE2 . 19213 1 1099 . 1 1 99 99 LEU H H 1 6.944 0.04 . 1 . . . A 527 LEU H . 19213 1 1100 . 1 1 99 99 LEU HA H 1 4.130 0.04 . 1 . . . A 527 LEU HA . 19213 1 1101 . 1 1 99 99 LEU HB2 H 1 1.130 0.04 . 1 . . . A 527 LEU HB2 . 19213 1 1102 . 1 1 99 99 LEU HB3 H 1 1.581 0.04 . 1 . . . A 527 LEU HB3 . 19213 1 1103 . 1 1 99 99 LEU HG H 1 1.540 0.04 . 1 . . . A 527 LEU HG . 19213 1 1104 . 1 1 99 99 LEU HD11 H 1 0.632 0.04 . 1 . . . A 527 LEU HD11 . 19213 1 1105 . 1 1 99 99 LEU HD12 H 1 0.632 0.04 . 1 . . . A 527 LEU HD12 . 19213 1 1106 . 1 1 99 99 LEU HD13 H 1 0.632 0.04 . 1 . . . A 527 LEU HD13 . 19213 1 1107 . 1 1 99 99 LEU HD21 H 1 0.220 0.04 . 1 . . . A 527 LEU HD21 . 19213 1 1108 . 1 1 99 99 LEU HD22 H 1 0.220 0.04 . 1 . . . A 527 LEU HD22 . 19213 1 1109 . 1 1 99 99 LEU HD23 H 1 0.220 0.04 . 1 . . . A 527 LEU HD23 . 19213 1 1110 . 1 1 99 99 LEU C C 13 178.587 0.25 . 1 . . . A 527 LEU C . 19213 1 1111 . 1 1 99 99 LEU CA C 13 55.568 0.25 . 1 . . . A 527 LEU CA . 19213 1 1112 . 1 1 99 99 LEU CB C 13 42.148 0.25 . 1 . . . A 527 LEU CB . 19213 1 1113 . 1 1 99 99 LEU CG C 13 27.000 0.25 . 1 . . . A 527 LEU CG . 19213 1 1114 . 1 1 99 99 LEU CD1 C 13 25.624 0.25 . 1 . . . A 527 LEU CD1 . 19213 1 1115 . 1 1 99 99 LEU CD2 C 13 22.000 0.25 . 1 . . . A 527 LEU CD2 . 19213 1 1116 . 1 1 99 99 LEU N N 15 115.651 0.25 . 1 . . . A 527 LEU N . 19213 1 1117 . 1 1 100 100 ARG H H 1 8.246 0.04 . 1 . . . A 528 ARG H . 19213 1 1118 . 1 1 100 100 ARG HA H 1 4.310 0.04 . 1 . . . A 528 ARG HA . 19213 1 1119 . 1 1 100 100 ARG HB2 H 1 1.720 0.04 . 1 . . . A 528 ARG HB2 . 19213 1 1120 . 1 1 100 100 ARG HB3 H 1 1.870 0.04 . 1 . . . A 528 ARG HB3 . 19213 1 1121 . 1 1 100 100 ARG HG3 H 1 1.970 0.04 . 1 . . . A 528 ARG HG3 . 19213 1 1122 . 1 1 100 100 ARG HD3 H 1 3.270 0.04 . 1 . . . A 528 ARG HD3 . 19213 1 1123 . 1 1 100 100 ARG CA C 13 61.278 0.25 . 1 . . . A 528 ARG CA . 19213 1 1124 . 1 1 100 100 ARG CB C 13 28.800 0.25 . 1 . . . A 528 ARG CB . 19213 1 1125 . 1 1 100 100 ARG CD C 13 43.400 0.25 . 1 . . . A 528 ARG CD . 19213 1 1126 . 1 1 100 100 ARG N N 15 121.110 0.25 . 1 . . . A 528 ARG N . 19213 1 1127 . 1 1 101 101 PRO HA H 1 4.432 0.04 . 1 . . . A 529 PRO HA . 19213 1 1128 . 1 1 101 101 PRO HB2 H 1 1.774 0.04 . 1 . . . A 529 PRO HB2 . 19213 1 1129 . 1 1 101 101 PRO HB3 H 1 2.390 0.04 . 1 . . . A 529 PRO HB3 . 19213 1 1130 . 1 1 101 101 PRO HG3 H 1 2.010 0.04 . 1 . . . A 529 PRO HG3 . 19213 1 1131 . 1 1 101 101 PRO HD2 H 1 3.360 0.04 . 1 . . . A 529 PRO HD2 . 19213 1 1132 . 1 1 101 101 PRO HD3 H 1 3.750 0.04 . 1 . . . A 529 PRO HD3 . 19213 1 1133 . 1 1 101 101 PRO C C 13 177.119 0.25 . 1 . . . A 529 PRO C . 19213 1 1134 . 1 1 101 101 PRO CA C 13 65.500 0.25 . 1 . . . A 529 PRO CA . 19213 1 1135 . 1 1 101 101 PRO CB C 13 31.079 0.25 . 1 . . . A 529 PRO CB . 19213 1 1136 . 1 1 101 101 PRO CG C 13 28.353 0.25 . 1 . . . A 529 PRO CG . 19213 1 1137 . 1 1 101 101 PRO CD C 13 51.400 0.25 . 1 . . . A 529 PRO CD . 19213 1 1138 . 1 1 102 102 LEU H H 1 6.908 0.04 . 1 . . . A 530 LEU H . 19213 1 1139 . 1 1 102 102 LEU HA H 1 4.186 0.04 . 1 . . . A 530 LEU HA . 19213 1 1140 . 1 1 102 102 LEU HB2 H 1 1.320 0.04 . 1 . . . A 530 LEU HB2 . 19213 1 1141 . 1 1 102 102 LEU HB3 H 1 1.700 0.04 . 1 . . . A 530 LEU HB3 . 19213 1 1142 . 1 1 102 102 LEU HG H 1 1.630 0.04 . 1 . . . A 530 LEU HG . 19213 1 1143 . 1 1 102 102 LEU HD11 H 1 0.790 0.04 . 1 . . . A 530 LEU HD11 . 19213 1 1144 . 1 1 102 102 LEU HD12 H 1 0.790 0.04 . 1 . . . A 530 LEU HD12 . 19213 1 1145 . 1 1 102 102 LEU HD13 H 1 0.790 0.04 . 1 . . . A 530 LEU HD13 . 19213 1 1146 . 1 1 102 102 LEU HD21 H 1 0.700 0.04 . 1 . . . A 530 LEU HD21 . 19213 1 1147 . 1 1 102 102 LEU HD22 H 1 0.700 0.04 . 1 . . . A 530 LEU HD22 . 19213 1 1148 . 1 1 102 102 LEU HD23 H 1 0.700 0.04 . 1 . . . A 530 LEU HD23 . 19213 1 1149 . 1 1 102 102 LEU C C 13 176.839 0.25 . 1 . . . A 530 LEU C . 19213 1 1150 . 1 1 102 102 LEU CA C 13 54.360 0.25 . 1 . . . A 530 LEU CA . 19213 1 1151 . 1 1 102 102 LEU CB C 13 42.962 0.25 . 1 . . . A 530 LEU CB . 19213 1 1152 . 1 1 102 102 LEU CD1 C 13 25.865 0.25 . 1 . . . A 530 LEU CD1 . 19213 1 1153 . 1 1 102 102 LEU CD2 C 13 22.906 0.25 . 1 . . . A 530 LEU CD2 . 19213 1 1154 . 1 1 102 102 LEU N N 15 113.140 0.25 . 1 . . . A 530 LEU N . 19213 1 1155 . 1 1 103 103 LYS H H 1 8.120 0.04 . 1 . . . A 531 LYS H . 19213 1 1156 . 1 1 103 103 LYS HA H 1 3.881 0.04 . 1 . . . A 531 LYS HA . 19213 1 1157 . 1 1 103 103 LYS HB2 H 1 2.029 0.04 . 1 . . . A 531 LYS HB2 . 19213 1 1158 . 1 1 103 103 LYS HB3 H 1 2.377 0.04 . 1 . . . A 531 LYS HB3 . 19213 1 1159 . 1 1 103 103 LYS HG2 H 1 1.419 0.04 . 1 . . . A 531 LYS HG2 . 19213 1 1160 . 1 1 103 103 LYS HG3 H 1 1.586 0.04 . 1 . . . A 531 LYS HG3 . 19213 1 1161 . 1 1 103 103 LYS HD2 H 1 1.830 0.04 . 1 . . . A 531 LYS HD2 . 19213 1 1162 . 1 1 103 103 LYS HD3 H 1 1.990 0.04 . 1 . . . A 531 LYS HD3 . 19213 1 1163 . 1 1 103 103 LYS HE2 H 1 3.080 0.04 . 1 . . . A 531 LYS HE2 . 19213 1 1164 . 1 1 103 103 LYS HE3 H 1 3.100 0.04 . 1 . . . A 531 LYS HE3 . 19213 1 1165 . 1 1 103 103 LYS C C 13 173.063 0.25 . 1 . . . A 531 LYS C . 19213 1 1166 . 1 1 103 103 LYS CA C 13 57.573 0.25 . 1 . . . A 531 LYS CA . 19213 1 1167 . 1 1 103 103 LYS CB C 13 28.802 0.25 . 1 . . . A 531 LYS CB . 19213 1 1168 . 1 1 103 103 LYS CG C 13 25.556 0.25 . 1 . . . A 531 LYS CG . 19213 1 1169 . 1 1 103 103 LYS CD C 13 29.100 0.25 . 1 . . . A 531 LYS CD . 19213 1 1170 . 1 1 103 103 LYS CE C 13 42.618 0.25 . 1 . . . A 531 LYS CE . 19213 1 1171 . 1 1 103 103 LYS N N 15 114.250 0.25 . 1 . . . A 531 LYS N . 19213 1 1172 . 1 1 104 104 VAL H H 1 6.477 0.04 . 1 . . . A 532 VAL H . 19213 1 1173 . 1 1 104 104 VAL HA H 1 3.000 0.04 . 1 . . . A 532 VAL HA . 19213 1 1174 . 1 1 104 104 VAL HB H 1 1.400 0.04 . 1 . . . A 532 VAL HB . 19213 1 1175 . 1 1 104 104 VAL HG11 H 1 0.415 0.04 . 1 . . . A 532 VAL HG11 . 19213 1 1176 . 1 1 104 104 VAL HG12 H 1 0.415 0.04 . 1 . . . A 532 VAL HG12 . 19213 1 1177 . 1 1 104 104 VAL HG13 H 1 0.415 0.04 . 1 . . . A 532 VAL HG13 . 19213 1 1178 . 1 1 104 104 VAL HG21 H 1 -0.069 0.04 . 1 . . . A 532 VAL HG21 . 19213 1 1179 . 1 1 104 104 VAL HG22 H 1 -0.069 0.04 . 1 . . . A 532 VAL HG22 . 19213 1 1180 . 1 1 104 104 VAL HG23 H 1 -0.069 0.04 . 1 . . . A 532 VAL HG23 . 19213 1 1181 . 1 1 104 104 VAL C C 13 174.337 0.25 . 1 . . . A 532 VAL C . 19213 1 1182 . 1 1 104 104 VAL CA C 13 64.525 0.25 . 1 . . . A 532 VAL CA . 19213 1 1183 . 1 1 104 104 VAL CB C 13 32.785 0.25 . 1 . . . A 532 VAL CB . 19213 1 1184 . 1 1 104 104 VAL CG1 C 13 21.600 0.25 . 1 . . . A 532 VAL CG1 . 19213 1 1185 . 1 1 104 104 VAL CG2 C 13 21.300 0.25 . 1 . . . A 532 VAL CG2 . 19213 1 1186 . 1 1 104 104 VAL N N 15 115.759 0.25 . 1 . . . A 532 VAL N . 19213 1 1187 . 1 1 105 105 ARG H H 1 8.917 0.04 . 1 . . . A 533 ARG H . 19213 1 1188 . 1 1 105 105 ARG HA H 1 4.457 0.04 . 1 . . . A 533 ARG HA . 19213 1 1189 . 1 1 105 105 ARG HB2 H 1 1.272 0.04 . 1 . . . A 533 ARG HB2 . 19213 1 1190 . 1 1 105 105 ARG HB3 H 1 1.444 0.04 . 1 . . . A 533 ARG HB3 . 19213 1 1191 . 1 1 105 105 ARG HG2 H 1 1.130 0.04 . 1 . . . A 533 ARG HG2 . 19213 1 1192 . 1 1 105 105 ARG HG3 H 1 1.280 0.04 . 1 . . . A 533 ARG HG3 . 19213 1 1193 . 1 1 105 105 ARG HD3 H 1 3.040 0.04 . 1 . . . A 533 ARG HD3 . 19213 1 1194 . 1 1 105 105 ARG C C 13 173.662 0.25 . 1 . . . A 533 ARG C . 19213 1 1195 . 1 1 105 105 ARG CA C 13 53.844 0.25 . 1 . . . A 533 ARG CA . 19213 1 1196 . 1 1 105 105 ARG CB C 13 31.242 0.25 . 1 . . . A 533 ARG CB . 19213 1 1197 . 1 1 105 105 ARG CG C 13 27.176 0.25 . 1 . . . A 533 ARG CG . 19213 1 1198 . 1 1 105 105 ARG N N 15 123.594 0.25 . 1 . . . A 533 ARG N . 19213 1 1199 . 1 1 106 106 ALA H H 1 8.338 0.04 . 1 . . . A 534 ALA H . 19213 1 1200 . 1 1 106 106 ALA HA H 1 4.663 0.04 . 1 . . . A 534 ALA HA . 19213 1 1201 . 1 1 106 106 ALA HB1 H 1 1.779 0.04 . 1 . . . A 534 ALA HB1 . 19213 1 1202 . 1 1 106 106 ALA HB2 H 1 1.779 0.04 . 1 . . . A 534 ALA HB2 . 19213 1 1203 . 1 1 106 106 ALA HB3 H 1 1.779 0.04 . 1 . . . A 534 ALA HB3 . 19213 1 1204 . 1 1 106 106 ALA C C 13 176.608 0.25 . 1 . . . A 534 ALA C . 19213 1 1205 . 1 1 106 106 ALA CA C 13 51.456 0.25 . 1 . . . A 534 ALA CA . 19213 1 1206 . 1 1 106 106 ALA CB C 13 25.134 0.25 . 1 . . . A 534 ALA CB . 19213 1 1207 . 1 1 106 106 ALA N N 15 123.107 0.25 . 1 . . . A 534 ALA N . 19213 1 1208 . 1 1 107 107 ASN H H 1 9.052 0.04 . 1 . . . A 535 ASN H . 19213 1 1209 . 1 1 107 107 ASN HA H 1 6.000 0.04 . 1 . . . A 535 ASN HA . 19213 1 1210 . 1 1 107 107 ASN HB2 H 1 2.840 0.04 . 1 . . . A 535 ASN HB2 . 19213 1 1211 . 1 1 107 107 ASN HB3 H 1 3.060 0.04 . 1 . . . A 535 ASN HB3 . 19213 1 1212 . 1 1 107 107 ASN C C 13 170.841 0.25 . 1 . . . A 535 ASN C . 19213 1 1213 . 1 1 107 107 ASN CA C 13 52.258 0.25 . 1 . . . A 535 ASN CA . 19213 1 1214 . 1 1 107 107 ASN CB C 13 42.060 0.25 . 1 . . . A 535 ASN CB . 19213 1 1215 . 1 1 107 107 ASN N N 15 117.841 0.25 . 1 . . . A 535 ASN N . 19213 1 1216 . 1 1 108 108 LEU H H 1 8.163 0.04 . 1 . . . A 536 LEU H . 19213 1 1217 . 1 1 108 108 LEU HA H 1 4.667 0.04 . 1 . . . A 536 LEU HA . 19213 1 1218 . 1 1 108 108 LEU HB2 H 1 -0.730 0.04 . 1 . . . A 536 LEU HB2 . 19213 1 1219 . 1 1 108 108 LEU HB3 H 1 0.367 0.04 . 1 . . . A 536 LEU HB3 . 19213 1 1220 . 1 1 108 108 LEU HG H 1 1.052 0.04 . 1 . . . A 536 LEU HG . 19213 1 1221 . 1 1 108 108 LEU HD11 H 1 0.477 0.04 . 1 . . . A 536 LEU HD11 . 19213 1 1222 . 1 1 108 108 LEU HD12 H 1 0.477 0.04 . 1 . . . A 536 LEU HD12 . 19213 1 1223 . 1 1 108 108 LEU HD13 H 1 0.477 0.04 . 1 . . . A 536 LEU HD13 . 19213 1 1224 . 1 1 108 108 LEU HD21 H 1 -0.030 0.04 . 1 . . . A 536 LEU HD21 . 19213 1 1225 . 1 1 108 108 LEU HD22 H 1 -0.030 0.04 . 1 . . . A 536 LEU HD22 . 19213 1 1226 . 1 1 108 108 LEU HD23 H 1 -0.030 0.04 . 1 . . . A 536 LEU HD23 . 19213 1 1227 . 1 1 108 108 LEU C C 13 173.345 0.25 . 1 . . . A 536 LEU C . 19213 1 1228 . 1 1 108 108 LEU CA C 13 54.258 0.25 . 1 . . . A 536 LEU CA . 19213 1 1229 . 1 1 108 108 LEU CB C 13 43.282 0.25 . 1 . . . A 536 LEU CB . 19213 1 1230 . 1 1 108 108 LEU CG C 13 27.400 0.25 . 1 . . . A 536 LEU CG . 19213 1 1231 . 1 1 108 108 LEU CD1 C 13 24.104 0.25 . 1 . . . A 536 LEU CD1 . 19213 1 1232 . 1 1 108 108 LEU CD2 C 13 25.991 0.25 . 1 . . . A 536 LEU CD2 . 19213 1 1233 . 1 1 108 108 LEU N N 15 123.199 0.25 . 1 . . . A 536 LEU N . 19213 1 1234 . 1 1 109 109 VAL H H 1 8.881 0.04 . 1 . . . A 537 VAL H . 19213 1 1235 . 1 1 109 109 VAL HA H 1 4.428 0.04 . 1 . . . A 537 VAL HA . 19213 1 1236 . 1 1 109 109 VAL HB H 1 2.268 0.04 . 1 . . . A 537 VAL HB . 19213 1 1237 . 1 1 109 109 VAL HG11 H 1 0.740 0.04 . 1 . . . A 537 VAL HG11 . 19213 1 1238 . 1 1 109 109 VAL HG12 H 1 0.740 0.04 . 1 . . . A 537 VAL HG12 . 19213 1 1239 . 1 1 109 109 VAL HG13 H 1 0.740 0.04 . 1 . . . A 537 VAL HG13 . 19213 1 1240 . 1 1 109 109 VAL HG21 H 1 0.770 0.04 . 1 . . . A 537 VAL HG21 . 19213 1 1241 . 1 1 109 109 VAL HG22 H 1 0.770 0.04 . 1 . . . A 537 VAL HG22 . 19213 1 1242 . 1 1 109 109 VAL HG23 H 1 0.770 0.04 . 1 . . . A 537 VAL HG23 . 19213 1 1243 . 1 1 109 109 VAL C C 13 174.411 0.25 . 1 . . . A 537 VAL C . 19213 1 1244 . 1 1 109 109 VAL CA C 13 62.112 0.25 . 1 . . . A 537 VAL CA . 19213 1 1245 . 1 1 109 109 VAL CB C 13 34.747 0.25 . 1 . . . A 537 VAL CB . 19213 1 1246 . 1 1 109 109 VAL CG1 C 13 23.356 0.25 . 1 . . . A 537 VAL CG1 . 19213 1 1247 . 1 1 109 109 VAL CG2 C 13 19.480 0.25 . 1 . . . A 537 VAL CG2 . 19213 1 1248 . 1 1 109 109 VAL N N 15 128.390 0.25 . 1 . . . A 537 VAL N . 19213 1 1249 . 1 1 110 110 VAL H H 1 8.456 0.04 . 1 . . . A 538 VAL H . 19213 1 1250 . 1 1 110 110 VAL HA H 1 5.360 0.04 . 1 . . . A 538 VAL HA . 19213 1 1251 . 1 1 110 110 VAL HB H 1 2.320 0.04 . 1 . . . A 538 VAL HB . 19213 1 1252 . 1 1 110 110 VAL HG11 H 1 1.030 0.04 . 1 . . . A 538 VAL HG11 . 19213 1 1253 . 1 1 110 110 VAL HG12 H 1 1.030 0.04 . 1 . . . A 538 VAL HG12 . 19213 1 1254 . 1 1 110 110 VAL HG13 H 1 1.030 0.04 . 1 . . . A 538 VAL HG13 . 19213 1 1255 . 1 1 110 110 VAL HG21 H 1 0.720 0.04 . 1 . . . A 538 VAL HG21 . 19213 1 1256 . 1 1 110 110 VAL HG22 H 1 0.720 0.04 . 1 . . . A 538 VAL HG22 . 19213 1 1257 . 1 1 110 110 VAL HG23 H 1 0.720 0.04 . 1 . . . A 538 VAL HG23 . 19213 1 1258 . 1 1 110 110 VAL CA C 13 56.783 0.25 . 1 . . . A 538 VAL CA . 19213 1 1259 . 1 1 110 110 VAL CB C 13 33.069 0.25 . 1 . . . A 538 VAL CB . 19213 1 1260 . 1 1 110 110 VAL CG1 C 13 22.000 0.25 . 1 . . . A 538 VAL CG1 . 19213 1 1261 . 1 1 110 110 VAL CG2 C 13 21.800 0.25 . 1 . . . A 538 VAL CG2 . 19213 1 1262 . 1 1 110 110 VAL N N 15 118.758 0.25 . 1 . . . A 538 VAL N . 19213 1 1263 . 1 1 111 111 PRO HA H 1 4.832 0.04 . 1 . . . A 539 PRO HA . 19213 1 1264 . 1 1 111 111 PRO HB2 H 1 1.836 0.04 . 1 . . . A 539 PRO HB2 . 19213 1 1265 . 1 1 111 111 PRO HB3 H 1 2.187 0.04 . 1 . . . A 539 PRO HB3 . 19213 1 1266 . 1 1 111 111 PRO HG2 H 1 2.220 0.04 . 1 . . . A 539 PRO HG2 . 19213 1 1267 . 1 1 111 111 PRO HG3 H 1 2.610 0.04 . 1 . . . A 539 PRO HG3 . 19213 1 1268 . 1 1 111 111 PRO HD3 H 1 3.770 0.04 . 1 . . . A 539 PRO HD3 . 19213 1 1269 . 1 1 111 111 PRO C C 13 175.835 0.25 . 1 . . . A 539 PRO C . 19213 1 1270 . 1 1 111 111 PRO CA C 13 62.909 0.25 . 1 . . . A 539 PRO CA . 19213 1 1271 . 1 1 111 111 PRO CB C 13 34.483 0.25 . 1 . . . A 539 PRO CB . 19213 1 1272 . 1 1 111 111 PRO CG C 13 26.822 0.25 . 1 . . . A 539 PRO CG . 19213 1 1273 . 1 1 111 111 PRO CD C 13 49.868 0.25 . 1 . . . A 539 PRO CD . 19213 1 1274 . 1 1 112 112 MET H H 1 8.212 0.04 . 1 . . . A 540 MET H . 19213 1 1275 . 1 1 112 112 MET HA H 1 4.372 0.04 . 1 . . . A 540 MET HA . 19213 1 1276 . 1 1 112 112 MET HB2 H 1 1.661 0.04 . 1 . . . A 540 MET HB2 . 19213 1 1277 . 1 1 112 112 MET HB3 H 1 2.105 0.04 . 1 . . . A 540 MET HB3 . 19213 1 1278 . 1 1 112 112 MET HG3 H 1 2.170 0.04 . 1 . . . A 540 MET HG3 . 19213 1 1279 . 1 1 112 112 MET HE1 H 1 1.730 0.04 . 1 . . . A 540 MET HE1 . 19213 1 1280 . 1 1 112 112 MET HE2 H 1 1.730 0.04 . 1 . . . A 540 MET HE2 . 19213 1 1281 . 1 1 112 112 MET HE3 H 1 1.730 0.04 . 1 . . . A 540 MET HE3 . 19213 1 1282 . 1 1 112 112 MET C C 13 173.982 0.25 . 1 . . . A 540 MET C . 19213 1 1283 . 1 1 112 112 MET CA C 13 55.763 0.25 . 1 . . . A 540 MET CA . 19213 1 1284 . 1 1 112 112 MET CB C 13 35.394 0.25 . 1 . . . A 540 MET CB . 19213 1 1285 . 1 1 112 112 MET CG C 13 32.019 0.25 . 1 . . . A 540 MET CG . 19213 1 1286 . 1 1 112 112 MET CE C 13 16.100 0.25 . 1 . . . A 540 MET CE . 19213 1 1287 . 1 1 112 112 MET N N 15 116.774 0.25 . 1 . . . A 540 MET N . 19213 1 1288 . 1 1 113 113 VAL H H 1 8.342 0.04 . 1 . . . A 541 VAL H . 19213 1 1289 . 1 1 113 113 VAL HA H 1 4.851 0.04 . 1 . . . A 541 VAL HA . 19213 1 1290 . 1 1 113 113 VAL HB H 1 2.059 0.04 . 1 . . . A 541 VAL HB . 19213 1 1291 . 1 1 113 113 VAL HG11 H 1 0.996 0.04 . 1 . . . A 541 VAL HG11 . 19213 1 1292 . 1 1 113 113 VAL HG12 H 1 0.996 0.04 . 1 . . . A 541 VAL HG12 . 19213 1 1293 . 1 1 113 113 VAL HG13 H 1 0.996 0.04 . 1 . . . A 541 VAL HG13 . 19213 1 1294 . 1 1 113 113 VAL HG21 H 1 0.844 0.04 . 1 . . . A 541 VAL HG21 . 19213 1 1295 . 1 1 113 113 VAL HG22 H 1 0.844 0.04 . 1 . . . A 541 VAL HG22 . 19213 1 1296 . 1 1 113 113 VAL HG23 H 1 0.844 0.04 . 1 . . . A 541 VAL HG23 . 19213 1 1297 . 1 1 113 113 VAL C C 13 174.789 0.25 . 1 . . . A 541 VAL C . 19213 1 1298 . 1 1 113 113 VAL CA C 13 61.847 0.25 . 1 . . . A 541 VAL CA . 19213 1 1299 . 1 1 113 113 VAL CB C 13 33.092 0.25 . 1 . . . A 541 VAL CB . 19213 1 1300 . 1 1 113 113 VAL CG1 C 13 22.255 0.25 . 1 . . . A 541 VAL CG1 . 19213 1 1301 . 1 1 113 113 VAL CG2 C 13 20.698 0.25 . 1 . . . A 541 VAL CG2 . 19213 1 1302 . 1 1 113 113 VAL N N 15 127.382 0.25 . 1 . . . A 541 VAL N . 19213 1 1303 . 1 1 114 114 ILE H H 1 8.687 0.04 . 1 . . . A 542 ILE H . 19213 1 1304 . 1 1 114 114 ILE HA H 1 4.225 0.04 . 1 . . . A 542 ILE HA . 19213 1 1305 . 1 1 114 114 ILE HB H 1 1.613 0.04 . 1 . . . A 542 ILE HB . 19213 1 1306 . 1 1 114 114 ILE HG12 H 1 1.050 0.04 . 1 . . . A 542 ILE HG12 . 19213 1 1307 . 1 1 114 114 ILE HG13 H 1 1.404 0.04 . 1 . . . A 542 ILE HG13 . 19213 1 1308 . 1 1 114 114 ILE HG21 H 1 0.647 0.04 . 1 . . . A 542 ILE HG21 . 19213 1 1309 . 1 1 114 114 ILE HG22 H 1 0.647 0.04 . 1 . . . A 542 ILE HG22 . 19213 1 1310 . 1 1 114 114 ILE HG23 H 1 0.647 0.04 . 1 . . . A 542 ILE HG23 . 19213 1 1311 . 1 1 114 114 ILE HD11 H 1 0.357 0.04 . 1 . . . A 542 ILE HD11 . 19213 1 1312 . 1 1 114 114 ILE HD12 H 1 0.357 0.04 . 1 . . . A 542 ILE HD12 . 19213 1 1313 . 1 1 114 114 ILE HD13 H 1 0.357 0.04 . 1 . . . A 542 ILE HD13 . 19213 1 1314 . 1 1 114 114 ILE C C 13 176.127 0.25 . 1 . . . A 542 ILE C . 19213 1 1315 . 1 1 114 114 ILE CA C 13 60.535 0.25 . 1 . . . A 542 ILE CA . 19213 1 1316 . 1 1 114 114 ILE CB C 13 41.569 0.25 . 1 . . . A 542 ILE CB . 19213 1 1317 . 1 1 114 114 ILE CG1 C 13 27.601 0.25 . 1 . . . A 542 ILE CG1 . 19213 1 1318 . 1 1 114 114 ILE CG2 C 13 16.897 0.25 . 1 . . . A 542 ILE CG2 . 19213 1 1319 . 1 1 114 114 ILE CD1 C 13 15.183 0.25 . 1 . . . A 542 ILE CD1 . 19213 1 1320 . 1 1 114 114 ILE N N 15 126.100 0.25 . 1 . . . A 542 ILE N . 19213 1 1321 . 1 1 115 115 ASP H H 1 10.386 0.04 . 1 . . . A 543 ASP H . 19213 1 1322 . 1 1 115 115 ASP HA H 1 4.203 0.04 . 1 . . . A 543 ASP HA . 19213 1 1323 . 1 1 115 115 ASP HB2 H 1 2.361 0.04 . 1 . . . A 543 ASP HB2 . 19213 1 1324 . 1 1 115 115 ASP HB3 H 1 2.979 0.04 . 1 . . . A 543 ASP HB3 . 19213 1 1325 . 1 1 115 115 ASP C C 13 175.231 0.25 . 1 . . . A 543 ASP C . 19213 1 1326 . 1 1 115 115 ASP CA C 13 55.725 0.25 . 1 . . . A 543 ASP CA . 19213 1 1327 . 1 1 115 115 ASP CB C 13 39.705 0.25 . 1 . . . A 543 ASP CB . 19213 1 1328 . 1 1 115 115 ASP N N 15 132.060 0.25 . 1 . . . A 543 ASP N . 19213 1 1329 . 1 1 116 116 ASP H H 1 8.812 0.04 . 1 . . . A 544 ASP H . 19213 1 1330 . 1 1 116 116 ASP HA H 1 4.109 0.04 . 1 . . . A 544 ASP HA . 19213 1 1331 . 1 1 116 116 ASP HB2 H 1 2.665 0.04 . 1 . . . A 544 ASP HB2 . 19213 1 1332 . 1 1 116 116 ASP HB3 H 1 2.966 0.04 . 1 . . . A 544 ASP HB3 . 19213 1 1333 . 1 1 116 116 ASP C C 13 174.479 0.25 . 1 . . . A 544 ASP C . 19213 1 1334 . 1 1 116 116 ASP CA C 13 55.744 0.25 . 1 . . . A 544 ASP CA . 19213 1 1335 . 1 1 116 116 ASP CB C 13 41.048 0.25 . 1 . . . A 544 ASP CB . 19213 1 1336 . 1 1 116 116 ASP N N 15 111.355 0.25 . 1 . . . A 544 ASP N . 19213 1 1337 . 1 1 117 117 GLN H H 1 7.884 0.04 . 1 . . . A 545 GLN H . 19213 1 1338 . 1 1 117 117 GLN HA H 1 4.582 0.04 . 1 . . . A 545 GLN HA . 19213 1 1339 . 1 1 117 117 GLN HB2 H 1 1.965 0.04 . 1 . . . A 545 GLN HB2 . 19213 1 1340 . 1 1 117 117 GLN HB3 H 1 2.180 0.04 . 1 . . . A 545 GLN HB3 . 19213 1 1341 . 1 1 117 117 GLN HG2 H 1 2.370 0.04 . 1 . . . A 545 GLN HG2 . 19213 1 1342 . 1 1 117 117 GLN HG3 H 1 2.430 0.04 . 1 . . . A 545 GLN HG3 . 19213 1 1343 . 1 1 117 117 GLN HE21 H 1 7.520 0.04 . 1 . . . A 545 GLN HE21 . 19213 1 1344 . 1 1 117 117 GLN HE22 H 1 6.820 0.04 . 1 . . . A 545 GLN HE22 . 19213 1 1345 . 1 1 117 117 GLN C C 13 174.762 0.25 . 1 . . . A 545 GLN C . 19213 1 1346 . 1 1 117 117 GLN CA C 13 53.703 0.25 . 1 . . . A 545 GLN CA . 19213 1 1347 . 1 1 117 117 GLN CB C 13 31.687 0.25 . 1 . . . A 545 GLN CB . 19213 1 1348 . 1 1 117 117 GLN CG C 13 33.251 0.25 . 1 . . . A 545 GLN CG . 19213 1 1349 . 1 1 117 117 GLN N N 15 117.226 0.25 . 1 . . . A 545 GLN N . 19213 1 1350 . 1 1 117 117 GLN NE2 N 15 112.500 0.25 . 1 . . . A 545 GLN NE2 . 19213 1 1351 . 1 1 118 118 LEU H H 1 9.175 0.04 . 1 . . . A 546 LEU H . 19213 1 1352 . 1 1 118 118 LEU HA H 1 4.590 0.04 . 1 . . . A 546 LEU HA . 19213 1 1353 . 1 1 118 118 LEU HB2 H 1 1.103 0.04 . 1 . . . A 546 LEU HB2 . 19213 1 1354 . 1 1 118 118 LEU HB3 H 1 2.281 0.04 . 1 . . . A 546 LEU HB3 . 19213 1 1355 . 1 1 118 118 LEU HG H 1 1.000 0.04 . 1 . . . A 546 LEU HG . 19213 1 1356 . 1 1 118 118 LEU HD11 H 1 1.038 0.04 . 1 . . . A 546 LEU HD11 . 19213 1 1357 . 1 1 118 118 LEU HD12 H 1 1.038 0.04 . 1 . . . A 546 LEU HD12 . 19213 1 1358 . 1 1 118 118 LEU HD13 H 1 1.038 0.04 . 1 . . . A 546 LEU HD13 . 19213 1 1359 . 1 1 118 118 LEU C C 13 174.041 0.25 . 1 . . . A 546 LEU C . 19213 1 1360 . 1 1 118 118 LEU CA C 13 55.029 0.25 . 1 . . . A 546 LEU CA . 19213 1 1361 . 1 1 118 118 LEU CB C 13 42.361 0.25 . 1 . . . A 546 LEU CB . 19213 1 1362 . 1 1 118 118 LEU CG C 13 28.146 0.25 . 1 . . . A 546 LEU CG . 19213 1 1363 . 1 1 118 118 LEU CD1 C 13 24.556 0.25 . 1 . . . A 546 LEU CD1 . 19213 1 1364 . 1 1 118 118 LEU N N 15 123.783 0.25 . 1 . . . A 546 LEU N . 19213 1 1365 . 1 1 119 119 PHE H H 1 8.925 0.04 . 1 . . . A 547 PHE H . 19213 1 1366 . 1 1 119 119 PHE HA H 1 4.564 0.04 . 1 . . . A 547 PHE HA . 19213 1 1367 . 1 1 119 119 PHE HB2 H 1 2.796 0.04 . 1 . . . A 547 PHE HB2 . 19213 1 1368 . 1 1 119 119 PHE HB3 H 1 3.336 0.04 . 1 . . . A 547 PHE HB3 . 19213 1 1369 . 1 1 119 119 PHE HD2 H 1 7.080 0.04 . 1 . . . A 547 PHE HD2 . 19213 1 1370 . 1 1 119 119 PHE HE2 H 1 7.020 0.04 . 1 . . . A 547 PHE HE2 . 19213 1 1371 . 1 1 119 119 PHE C C 13 176.063 0.25 . 1 . . . A 547 PHE C . 19213 1 1372 . 1 1 119 119 PHE CA C 13 59.445 0.25 . 1 . . . A 547 PHE CA . 19213 1 1373 . 1 1 119 119 PHE CB C 13 41.069 0.25 . 1 . . . A 547 PHE CB . 19213 1 1374 . 1 1 119 119 PHE CD2 C 13 132.000 0.25 . 1 . . . A 547 PHE CD2 . 19213 1 1375 . 1 1 119 119 PHE CE2 C 13 130.500 0.25 . 1 . . . A 547 PHE CE2 . 19213 1 1376 . 1 1 119 119 PHE N N 15 132.161 0.25 . 1 . . . A 547 PHE N . 19213 1 1377 . 1 1 120 120 GLY H H 1 8.025 0.04 . 1 . . . A 548 GLY H . 19213 1 1378 . 1 1 120 120 GLY HA2 H 1 3.557 0.04 . 1 . . . A 548 GLY HA2 . 19213 1 1379 . 1 1 120 120 GLY HA3 H 1 3.805 0.04 . 1 . . . A 548 GLY HA3 . 19213 1 1380 . 1 1 120 120 GLY C C 13 169.176 0.25 . 1 . . . A 548 GLY C . 19213 1 1381 . 1 1 120 120 GLY CA C 13 45.906 0.25 . 1 . . . A 548 GLY CA . 19213 1 1382 . 1 1 120 120 GLY N N 15 103.713 0.25 . 1 . . . A 548 GLY N . 19213 1 1383 . 1 1 121 121 LEU H H 1 8.738 0.04 . 1 . . . A 549 LEU H . 19213 1 1384 . 1 1 121 121 LEU HA H 1 4.872 0.04 . 1 . . . A 549 LEU HA . 19213 1 1385 . 1 1 121 121 LEU HB2 H 1 1.013 0.04 . 1 . . . A 549 LEU HB2 . 19213 1 1386 . 1 1 121 121 LEU HB3 H 1 1.190 0.04 . 1 . . . A 549 LEU HB3 . 19213 1 1387 . 1 1 121 121 LEU HG H 1 1.129 0.04 . 1 . . . A 549 LEU HG . 19213 1 1388 . 1 1 121 121 LEU HD11 H 1 0.124 0.04 . 1 . . . A 549 LEU HD11 . 19213 1 1389 . 1 1 121 121 LEU HD12 H 1 0.124 0.04 . 1 . . . A 549 LEU HD12 . 19213 1 1390 . 1 1 121 121 LEU HD13 H 1 0.124 0.04 . 1 . . . A 549 LEU HD13 . 19213 1 1391 . 1 1 121 121 LEU C C 13 174.008 0.25 . 1 . . . A 549 LEU C . 19213 1 1392 . 1 1 121 121 LEU CA C 13 52.697 0.25 . 1 . . . A 549 LEU CA . 19213 1 1393 . 1 1 121 121 LEU CB C 13 44.641 0.25 . 1 . . . A 549 LEU CB . 19213 1 1394 . 1 1 121 121 LEU CG C 13 26.385 0.25 . 1 . . . A 549 LEU CG . 19213 1 1395 . 1 1 121 121 LEU CD1 C 13 22.293 0.25 . 1 . . . A 549 LEU CD1 . 19213 1 1396 . 1 1 121 121 LEU N N 15 117.457 0.25 . 1 . . . A 549 LEU N . 19213 1 1397 . 1 1 122 122 LEU H H 1 9.078 0.04 . 1 . . . A 550 LEU H . 19213 1 1398 . 1 1 122 122 LEU HA H 1 4.920 0.04 . 1 . . . A 550 LEU HA . 19213 1 1399 . 1 1 122 122 LEU HB2 H 1 0.836 0.04 . 1 . . . A 550 LEU HB2 . 19213 1 1400 . 1 1 122 122 LEU HB3 H 1 1.553 0.04 . 1 . . . A 550 LEU HB3 . 19213 1 1401 . 1 1 122 122 LEU HG H 1 1.160 0.04 . 1 . . . A 550 LEU HG . 19213 1 1402 . 1 1 122 122 LEU HD11 H 1 0.612 0.04 . 1 . . . A 550 LEU HD11 . 19213 1 1403 . 1 1 122 122 LEU HD12 H 1 0.612 0.04 . 1 . . . A 550 LEU HD12 . 19213 1 1404 . 1 1 122 122 LEU HD13 H 1 0.612 0.04 . 1 . . . A 550 LEU HD13 . 19213 1 1405 . 1 1 122 122 LEU HD21 H 1 -0.054 0.04 . 1 . . . A 550 LEU HD21 . 19213 1 1406 . 1 1 122 122 LEU HD22 H 1 -0.054 0.04 . 1 . . . A 550 LEU HD22 . 19213 1 1407 . 1 1 122 122 LEU HD23 H 1 -0.054 0.04 . 1 . . . A 550 LEU HD23 . 19213 1 1408 . 1 1 122 122 LEU C C 13 175.162 0.25 . 1 . . . A 550 LEU C . 19213 1 1409 . 1 1 122 122 LEU CA C 13 53.922 0.25 . 1 . . . A 550 LEU CA . 19213 1 1410 . 1 1 122 122 LEU CB C 13 42.857 0.25 . 1 . . . A 550 LEU CB . 19213 1 1411 . 1 1 122 122 LEU CG C 13 27.300 0.25 . 1 . . . A 550 LEU CG . 19213 1 1412 . 1 1 122 122 LEU CD1 C 13 24.688 0.25 . 1 . . . A 550 LEU CD1 . 19213 1 1413 . 1 1 122 122 LEU CD2 C 13 26.115 0.25 . 1 . . . A 550 LEU CD2 . 19213 1 1414 . 1 1 122 122 LEU N N 15 127.533 0.25 . 1 . . . A 550 LEU N . 19213 1 1415 . 1 1 123 123 ILE H H 1 8.382 0.04 . 1 . . . A 551 ILE H . 19213 1 1416 . 1 1 123 123 ILE HA H 1 5.332 0.04 . 1 . . . A 551 ILE HA . 19213 1 1417 . 1 1 123 123 ILE HB H 1 1.173 0.04 . 1 . . . A 551 ILE HB . 19213 1 1418 . 1 1 123 123 ILE HG13 H 1 1.284 0.04 . 1 . . . A 551 ILE HG13 . 19213 1 1419 . 1 1 123 123 ILE HG21 H 1 0.530 0.04 . 1 . . . A 551 ILE HG21 . 19213 1 1420 . 1 1 123 123 ILE HG22 H 1 0.530 0.04 . 1 . . . A 551 ILE HG22 . 19213 1 1421 . 1 1 123 123 ILE HG23 H 1 0.530 0.04 . 1 . . . A 551 ILE HG23 . 19213 1 1422 . 1 1 123 123 ILE HD11 H 1 0.060 0.04 . 1 . . . A 551 ILE HD11 . 19213 1 1423 . 1 1 123 123 ILE HD12 H 1 0.060 0.04 . 1 . . . A 551 ILE HD12 . 19213 1 1424 . 1 1 123 123 ILE HD13 H 1 0.060 0.04 . 1 . . . A 551 ILE HD13 . 19213 1 1425 . 1 1 123 123 ILE C C 13 174.056 0.25 . 1 . . . A 551 ILE C . 19213 1 1426 . 1 1 123 123 ILE CA C 13 59.702 0.25 . 1 . . . A 551 ILE CA . 19213 1 1427 . 1 1 123 123 ILE CB C 13 41.568 0.25 . 1 . . . A 551 ILE CB . 19213 1 1428 . 1 1 123 123 ILE CG1 C 13 26.950 0.25 . 1 . . . A 551 ILE CG1 . 19213 1 1429 . 1 1 123 123 ILE CG2 C 13 17.027 0.25 . 1 . . . A 551 ILE CG2 . 19213 1 1430 . 1 1 123 123 ILE CD1 C 13 12.200 0.25 . 1 . . . A 551 ILE CD1 . 19213 1 1431 . 1 1 123 123 ILE N N 15 123.427 0.25 . 1 . . . A 551 ILE N . 19213 1 1432 . 1 1 124 124 ALA H H 1 9.245 0.04 . 1 . . . A 552 ALA H . 19213 1 1433 . 1 1 124 124 ALA HA H 1 5.130 0.04 . 1 . . . A 552 ALA HA . 19213 1 1434 . 1 1 124 124 ALA HB1 H 1 0.814 0.04 . 1 . . . A 552 ALA HB1 . 19213 1 1435 . 1 1 124 124 ALA HB2 H 1 0.814 0.04 . 1 . . . A 552 ALA HB2 . 19213 1 1436 . 1 1 124 124 ALA HB3 H 1 0.814 0.04 . 1 . . . A 552 ALA HB3 . 19213 1 1437 . 1 1 124 124 ALA C C 13 176.892 0.25 . 1 . . . A 552 ALA C . 19213 1 1438 . 1 1 124 124 ALA CA C 13 49.481 0.25 . 1 . . . A 552 ALA CA . 19213 1 1439 . 1 1 124 124 ALA CB C 13 22.936 0.25 . 1 . . . A 552 ALA CB . 19213 1 1440 . 1 1 124 124 ALA N N 15 129.153 0.25 . 1 . . . A 552 ALA N . 19213 1 1441 . 1 1 125 125 HIS H H 1 9.584 0.04 . 1 . . . A 553 HIS H . 19213 1 1442 . 1 1 125 125 HIS HA H 1 5.879 0.04 . 1 . . . A 553 HIS HA . 19213 1 1443 . 1 1 125 125 HIS HB2 H 1 2.666 0.04 . 1 . . . A 553 HIS HB2 . 19213 1 1444 . 1 1 125 125 HIS HB3 H 1 3.210 0.04 . 1 . . . A 553 HIS HB3 . 19213 1 1445 . 1 1 125 125 HIS HD2 H 1 7.240 0.04 . 1 . . . A 553 HIS HD2 . 19213 1 1446 . 1 1 125 125 HIS HE1 H 1 7.110 0.04 . 1 . . . A 553 HIS HE1 . 19213 1 1447 . 1 1 125 125 HIS HE2 H 1 12.360 0.04 . 1 . . . A 553 HIS HE2 . 19213 1 1448 . 1 1 125 125 HIS C C 13 175.709 0.25 . 1 . . . A 553 HIS C . 19213 1 1449 . 1 1 125 125 HIS CA C 13 52.575 0.25 . 1 . . . A 553 HIS CA . 19213 1 1450 . 1 1 125 125 HIS CB C 13 36.391 0.25 . 1 . . . A 553 HIS CB . 19213 1 1451 . 1 1 125 125 HIS CE1 C 13 135.200 0.25 . 1 . . . A 553 HIS CE1 . 19213 1 1452 . 1 1 125 125 HIS N N 15 117.481 0.25 . 1 . . . A 553 HIS N . 19213 1 1453 . 1 1 125 125 HIS NE2 N 15 165.800 0.25 . 1 . . . A 553 HIS NE2 . 19213 1 1454 . 1 1 126 126 GLN H H 1 9.240 0.04 . 1 . . . A 554 GLN H . 19213 1 1455 . 1 1 126 126 GLN HA H 1 4.604 0.04 . 1 . . . A 554 GLN HA . 19213 1 1456 . 1 1 126 126 GLN HG3 H 1 2.376 0.04 . 1 . . . A 554 GLN HG3 . 19213 1 1457 . 1 1 126 126 GLN C C 13 174.647 0.25 . 1 . . . A 554 GLN C . 19213 1 1458 . 1 1 126 126 GLN CA C 13 55.753 0.25 . 1 . . . A 554 GLN CA . 19213 1 1459 . 1 1 126 126 GLN CB C 13 30.350 0.25 . 1 . . . A 554 GLN CB . 19213 1 1460 . 1 1 126 126 GLN CG C 13 33.337 0.25 . 1 . . . A 554 GLN CG . 19213 1 1461 . 1 1 126 126 GLN N N 15 125.534 0.25 . 1 . . . A 554 GLN N . 19213 1 1462 . 1 1 127 127 ALA H H 1 11.446 0.04 . 1 . . . A 555 ALA H . 19213 1 1463 . 1 1 127 127 ALA HA H 1 4.543 0.04 . 1 . . . A 555 ALA HA . 19213 1 1464 . 1 1 127 127 ALA HB1 H 1 -0.075 0.04 . 1 . . . A 555 ALA HB1 . 19213 1 1465 . 1 1 127 127 ALA HB2 H 1 -0.075 0.04 . 1 . . . A 555 ALA HB2 . 19213 1 1466 . 1 1 127 127 ALA HB3 H 1 -0.075 0.04 . 1 . . . A 555 ALA HB3 . 19213 1 1467 . 1 1 127 127 ALA C C 13 177.707 0.25 . 1 . . . A 555 ALA C . 19213 1 1468 . 1 1 127 127 ALA CA C 13 53.062 0.25 . 1 . . . A 555 ALA CA . 19213 1 1469 . 1 1 127 127 ALA CB C 13 19.238 0.25 . 1 . . . A 555 ALA CB . 19213 1 1470 . 1 1 127 127 ALA N N 15 135.281 0.25 . 1 . . . A 555 ALA N . 19213 1 1471 . 1 1 128 128 SER H H 1 8.106 0.04 . 1 . . . A 556 SER H . 19213 1 1472 . 1 1 128 128 SER HA H 1 4.190 0.04 . 1 . . . A 556 SER HA . 19213 1 1473 . 1 1 128 128 SER HB3 H 1 4.120 0.04 . 1 . . . A 556 SER HB3 . 19213 1 1474 . 1 1 128 128 SER C C 13 174.538 0.25 . 1 . . . A 556 SER C . 19213 1 1475 . 1 1 128 128 SER CA C 13 60.691 0.25 . 1 . . . A 556 SER CA . 19213 1 1476 . 1 1 128 128 SER CB C 13 63.729 0.25 . 1 . . . A 556 SER CB . 19213 1 1477 . 1 1 128 128 SER N N 15 110.784 0.25 . 1 . . . A 556 SER N . 19213 1 1478 . 1 1 129 129 GLU H H 1 7.380 0.04 . 1 . . . A 557 GLU H . 19213 1 1479 . 1 1 129 129 GLU CA C 13 53.779 0.25 . 1 . . . A 557 GLU CA . 19213 1 1480 . 1 1 129 129 GLU CB C 13 30.585 0.25 . 1 . . . A 557 GLU CB . 19213 1 1481 . 1 1 129 129 GLU N N 15 118.812 0.25 . 1 . . . A 557 GLU N . 19213 1 1482 . 1 1 130 130 PRO HA H 1 4.290 0.04 . 1 . . . A 558 PRO HA . 19213 1 1483 . 1 1 130 130 PRO HB2 H 1 1.683 0.04 . 1 . . . A 558 PRO HB2 . 19213 1 1484 . 1 1 130 130 PRO HB3 H 1 2.123 0.04 . 1 . . . A 558 PRO HB3 . 19213 1 1485 . 1 1 130 130 PRO HG2 H 1 1.740 0.04 . 1 . . . A 558 PRO HG2 . 19213 1 1486 . 1 1 130 130 PRO HG3 H 1 1.960 0.04 . 1 . . . A 558 PRO HG3 . 19213 1 1487 . 1 1 130 130 PRO HD2 H 1 3.430 0.04 . 1 . . . A 558 PRO HD2 . 19213 1 1488 . 1 1 130 130 PRO HD3 H 1 3.640 0.04 . 1 . . . A 558 PRO HD3 . 19213 1 1489 . 1 1 130 130 PRO C C 13 175.238 0.25 . 1 . . . A 558 PRO C . 19213 1 1490 . 1 1 130 130 PRO CA C 13 62.733 0.25 . 1 . . . A 558 PRO CA . 19213 1 1491 . 1 1 130 130 PRO CB C 13 32.892 0.25 . 1 . . . A 558 PRO CB . 19213 1 1492 . 1 1 130 130 PRO CG C 13 27.772 0.25 . 1 . . . A 558 PRO CG . 19213 1 1493 . 1 1 130 130 PRO CD C 13 50.400 0.25 . 1 . . . A 558 PRO CD . 19213 1 1494 . 1 1 131 131 ARG H H 1 8.106 0.04 . 1 . . . A 559 ARG H . 19213 1 1495 . 1 1 131 131 ARG HA H 1 3.949 0.04 . 1 . . . A 559 ARG HA . 19213 1 1496 . 1 1 131 131 ARG HB2 H 1 0.570 0.04 . 1 . . . A 559 ARG HB2 . 19213 1 1497 . 1 1 131 131 ARG HB3 H 1 0.873 0.04 . 1 . . . A 559 ARG HB3 . 19213 1 1498 . 1 1 131 131 ARG HG2 H 1 -0.290 0.04 . 1 . . . A 559 ARG HG2 . 19213 1 1499 . 1 1 131 131 ARG HG3 H 1 0.660 0.04 . 1 . . . A 559 ARG HG3 . 19213 1 1500 . 1 1 131 131 ARG HE H 1 7.520 0.04 . 1 . . . A 559 ARG HE . 19213 1 1501 . 1 1 131 131 ARG HH11 H 1 7.060 0.04 . 1 . . . A 559 ARG HH11 . 19213 1 1502 . 1 1 131 131 ARG HH21 H 1 6.070 0.04 . 1 . . . A 559 ARG HH21 . 19213 1 1503 . 1 1 131 131 ARG C C 13 171.339 0.25 . 1 . . . A 559 ARG C . 19213 1 1504 . 1 1 131 131 ARG CA C 13 55.522 0.25 . 1 . . . A 559 ARG CA . 19213 1 1505 . 1 1 131 131 ARG CB C 13 33.266 0.25 . 1 . . . A 559 ARG CB . 19213 1 1506 . 1 1 131 131 ARG CG C 13 25.324 0.25 . 1 . . . A 559 ARG CG . 19213 1 1507 . 1 1 131 131 ARG CD C 13 42.883 0.25 . 1 . . . A 559 ARG CD . 19213 1 1508 . 1 1 131 131 ARG N N 15 121.705 0.25 . 1 . . . A 559 ARG N . 19213 1 1509 . 1 1 131 131 ARG NE N 15 87.700 0.25 . 1 . . . A 559 ARG NE . 19213 1 1510 . 1 1 131 131 ARG NH1 N 15 71.000 0.25 . 1 . . . A 559 ARG NH1 . 19213 1 1511 . 1 1 131 131 ARG NH2 N 15 69.300 0.25 . 1 . . . A 559 ARG NH2 . 19213 1 1512 . 1 1 132 132 GLN H H 1 8.295 0.04 . 1 . . . A 560 GLN H . 19213 1 1513 . 1 1 132 132 GLN HA H 1 4.386 0.04 . 1 . . . A 560 GLN HA . 19213 1 1514 . 1 1 132 132 GLN HB2 H 1 1.738 0.04 . 1 . . . A 560 GLN HB2 . 19213 1 1515 . 1 1 132 132 GLN HB3 H 1 1.879 0.04 . 1 . . . A 560 GLN HB3 . 19213 1 1516 . 1 1 132 132 GLN HG2 H 1 2.081 0.04 . 1 . . . A 560 GLN HG2 . 19213 1 1517 . 1 1 132 132 GLN HG3 H 1 2.129 0.04 . 1 . . . A 560 GLN HG3 . 19213 1 1518 . 1 1 132 132 GLN HE21 H 1 7.550 0.04 . 1 . . . A 560 GLN HE21 . 19213 1 1519 . 1 1 132 132 GLN HE22 H 1 6.860 0.04 . 1 . . . A 560 GLN HE22 . 19213 1 1520 . 1 1 132 132 GLN C C 13 175.691 0.25 . 1 . . . A 560 GLN C . 19213 1 1521 . 1 1 132 132 GLN CA C 13 53.655 0.25 . 1 . . . A 560 GLN CA . 19213 1 1522 . 1 1 132 132 GLN CB C 13 27.650 0.25 . 1 . . . A 560 GLN CB . 19213 1 1523 . 1 1 132 132 GLN CG C 13 33.611 0.25 . 1 . . . A 560 GLN CG . 19213 1 1524 . 1 1 132 132 GLN N N 15 125.611 0.25 . 1 . . . A 560 GLN N . 19213 1 1525 . 1 1 132 132 GLN NE2 N 15 112.700 0.25 . 1 . . . A 560 GLN NE2 . 19213 1 1526 . 1 1 133 133 TRP H H 1 7.899 0.04 . 1 . . . A 561 TRP H . 19213 1 1527 . 1 1 133 133 TRP HA H 1 4.449 0.04 . 1 . . . A 561 TRP HA . 19213 1 1528 . 1 1 133 133 TRP HB2 H 1 2.909 0.04 . 1 . . . A 561 TRP HB2 . 19213 1 1529 . 1 1 133 133 TRP HB3 H 1 3.030 0.04 . 1 . . . A 561 TRP HB3 . 19213 1 1530 . 1 1 133 133 TRP HD1 H 1 7.450 0.04 . 1 . . . A 561 TRP HD1 . 19213 1 1531 . 1 1 133 133 TRP HE1 H 1 11.530 0.04 . 1 . . . A 561 TRP HE1 . 19213 1 1532 . 1 1 133 133 TRP HE3 H 1 7.270 0.04 . 1 . . . A 561 TRP HE3 . 19213 1 1533 . 1 1 133 133 TRP HZ2 H 1 7.230 0.04 . 1 . . . A 561 TRP HZ2 . 19213 1 1534 . 1 1 133 133 TRP HZ3 H 1 6.510 0.04 . 1 . . . A 561 TRP HZ3 . 19213 1 1535 . 1 1 133 133 TRP C C 13 176.089 0.25 . 1 . . . A 561 TRP C . 19213 1 1536 . 1 1 133 133 TRP CA C 13 56.370 0.25 . 1 . . . A 561 TRP CA . 19213 1 1537 . 1 1 133 133 TRP CB C 13 28.641 0.25 . 1 . . . A 561 TRP CB . 19213 1 1538 . 1 1 133 133 TRP CD1 C 13 129.400 0.25 . 1 . . . A 561 TRP CD1 . 19213 1 1539 . 1 1 133 133 TRP CE3 C 13 120.200 0.25 . 1 . . . A 561 TRP CE3 . 19213 1 1540 . 1 1 133 133 TRP CZ2 C 13 116.800 0.25 . 1 . . . A 561 TRP CZ2 . 19213 1 1541 . 1 1 133 133 TRP CZ3 C 13 120.700 0.25 . 1 . . . A 561 TRP CZ3 . 19213 1 1542 . 1 1 133 133 TRP N N 15 132.619 0.25 . 1 . . . A 561 TRP N . 19213 1 1543 . 1 1 133 133 TRP NE1 N 15 130.800 0.25 . 1 . . . A 561 TRP NE1 . 19213 1 1544 . 1 1 134 134 GLN H H 1 9.714 0.04 . 1 . . . A 562 GLN H . 19213 1 1545 . 1 1 134 134 GLN HA H 1 4.465 0.04 . 1 . . . A 562 GLN HA . 19213 1 1546 . 1 1 134 134 GLN HB2 H 1 1.810 0.04 . 1 . . . A 562 GLN HB2 . 19213 1 1547 . 1 1 134 134 GLN HB3 H 1 2.506 0.04 . 1 . . . A 562 GLN HB3 . 19213 1 1548 . 1 1 134 134 GLN HG2 H 1 2.470 0.04 . 1 . . . A 562 GLN HG2 . 19213 1 1549 . 1 1 134 134 GLN HG3 H 1 2.510 0.04 . 1 . . . A 562 GLN HG3 . 19213 1 1550 . 1 1 134 134 GLN HE21 H 1 7.290 0.04 . 1 . . . A 562 GLN HE21 . 19213 1 1551 . 1 1 134 134 GLN HE22 H 1 6.900 0.04 . 1 . . . A 562 GLN HE22 . 19213 1 1552 . 1 1 134 134 GLN C C 13 177.060 0.25 . 1 . . . A 562 GLN C . 19213 1 1553 . 1 1 134 134 GLN CA C 13 54.712 0.25 . 1 . . . A 562 GLN CA . 19213 1 1554 . 1 1 134 134 GLN CB C 13 30.536 0.25 . 1 . . . A 562 GLN CB . 19213 1 1555 . 1 1 134 134 GLN CG C 13 33.940 0.25 . 1 . . . A 562 GLN CG . 19213 1 1556 . 1 1 134 134 GLN N N 15 124.398 0.25 . 1 . . . A 562 GLN N . 19213 1 1557 . 1 1 134 134 GLN NE2 N 15 113.100 0.25 . 1 . . . A 562 GLN NE2 . 19213 1 1558 . 1 1 135 135 GLU H H 1 9.197 0.04 . 1 . . . A 563 GLU H . 19213 1 1559 . 1 1 135 135 GLU HA H 1 3.913 0.04 . 1 . . . A 563 GLU HA . 19213 1 1560 . 1 1 135 135 GLU HB3 H 1 2.104 0.04 . 1 . . . A 563 GLU HB3 . 19213 1 1561 . 1 1 135 135 GLU HG2 H 1 2.334 0.04 . 1 . . . A 563 GLU HG2 . 19213 1 1562 . 1 1 135 135 GLU HG3 H 1 2.406 0.04 . 1 . . . A 563 GLU HG3 . 19213 1 1563 . 1 1 135 135 GLU C C 13 178.669 0.25 . 1 . . . A 563 GLU C . 19213 1 1564 . 1 1 135 135 GLU CA C 13 61.261 0.25 . 1 . . . A 563 GLU CA . 19213 1 1565 . 1 1 135 135 GLU CB C 13 29.246 0.25 . 1 . . . A 563 GLU CB . 19213 1 1566 . 1 1 135 135 GLU CG C 13 36.746 0.25 . 1 . . . A 563 GLU CG . 19213 1 1567 . 1 1 135 135 GLU N N 15 124.299 0.25 . 1 . . . A 563 GLU N . 19213 1 1568 . 1 1 136 136 ILE H H 1 8.482 0.04 . 1 . . . A 564 ILE H . 19213 1 1569 . 1 1 136 136 ILE HA H 1 4.217 0.04 . 1 . . . A 564 ILE HA . 19213 1 1570 . 1 1 136 136 ILE HB H 1 1.903 0.04 . 1 . . . A 564 ILE HB . 19213 1 1571 . 1 1 136 136 ILE HG12 H 1 1.277 0.04 . 1 . . . A 564 ILE HG12 . 19213 1 1572 . 1 1 136 136 ILE HG13 H 1 1.533 0.04 . 1 . . . A 564 ILE HG13 . 19213 1 1573 . 1 1 136 136 ILE HG21 H 1 0.949 0.04 . 1 . . . A 564 ILE HG21 . 19213 1 1574 . 1 1 136 136 ILE HG22 H 1 0.949 0.04 . 1 . . . A 564 ILE HG22 . 19213 1 1575 . 1 1 136 136 ILE HG23 H 1 0.949 0.04 . 1 . . . A 564 ILE HG23 . 19213 1 1576 . 1 1 136 136 ILE HD11 H 1 0.940 0.04 . 1 . . . A 564 ILE HD11 . 19213 1 1577 . 1 1 136 136 ILE HD12 H 1 0.940 0.04 . 1 . . . A 564 ILE HD12 . 19213 1 1578 . 1 1 136 136 ILE HD13 H 1 0.940 0.04 . 1 . . . A 564 ILE HD13 . 19213 1 1579 . 1 1 136 136 ILE C C 13 177.495 0.25 . 1 . . . A 564 ILE C . 19213 1 1580 . 1 1 136 136 ILE CA C 13 63.396 0.25 . 1 . . . A 564 ILE CA . 19213 1 1581 . 1 1 136 136 ILE CB C 13 37.815 0.25 . 1 . . . A 564 ILE CB . 19213 1 1582 . 1 1 136 136 ILE CG1 C 13 28.804 0.25 . 1 . . . A 564 ILE CG1 . 19213 1 1583 . 1 1 136 136 ILE CG2 C 13 17.801 0.25 . 1 . . . A 564 ILE CG2 . 19213 1 1584 . 1 1 136 136 ILE CD1 C 13 13.897 0.25 . 1 . . . A 564 ILE CD1 . 19213 1 1585 . 1 1 136 136 ILE N N 15 115.325 0.25 . 1 . . . A 564 ILE N . 19213 1 1586 . 1 1 137 137 GLU H H 1 6.700 0.04 . 1 . . . A 565 GLU H . 19213 1 1587 . 1 1 137 137 GLU HA H 1 4.014 0.04 . 1 . . . A 565 GLU HA . 19213 1 1588 . 1 1 137 137 GLU HB3 H 1 1.811 0.04 . 1 . . . A 565 GLU HB3 . 19213 1 1589 . 1 1 137 137 GLU HG3 H 1 2.314 0.04 . 1 . . . A 565 GLU HG3 . 19213 1 1590 . 1 1 137 137 GLU C C 13 178.136 0.25 . 1 . . . A 565 GLU C . 19213 1 1591 . 1 1 137 137 GLU CA C 13 58.734 0.25 . 1 . . . A 565 GLU CA . 19213 1 1592 . 1 1 137 137 GLU CB C 13 29.617 0.25 . 1 . . . A 565 GLU CB . 19213 1 1593 . 1 1 137 137 GLU CG C 13 36.848 0.25 . 1 . . . A 565 GLU CG . 19213 1 1594 . 1 1 137 137 GLU N N 15 121.151 0.25 . 1 . . . A 565 GLU N . 19213 1 1595 . 1 1 138 138 ILE H H 1 8.122 0.04 . 1 . . . A 566 ILE H . 19213 1 1596 . 1 1 138 138 ILE HA H 1 3.450 0.04 . 1 . . . A 566 ILE HA . 19213 1 1597 . 1 1 138 138 ILE HB H 1 1.940 0.04 . 1 . . . A 566 ILE HB . 19213 1 1598 . 1 1 138 138 ILE HG13 H 1 1.760 0.04 . 1 . . . A 566 ILE HG13 . 19213 1 1599 . 1 1 138 138 ILE HG21 H 1 0.972 0.04 . 1 . . . A 566 ILE HG21 . 19213 1 1600 . 1 1 138 138 ILE HG22 H 1 0.972 0.04 . 1 . . . A 566 ILE HG22 . 19213 1 1601 . 1 1 138 138 ILE HG23 H 1 0.972 0.04 . 1 . . . A 566 ILE HG23 . 19213 1 1602 . 1 1 138 138 ILE HD11 H 1 0.730 0.04 . 1 . . . A 566 ILE HD11 . 19213 1 1603 . 1 1 138 138 ILE HD12 H 1 0.730 0.04 . 1 . . . A 566 ILE HD12 . 19213 1 1604 . 1 1 138 138 ILE HD13 H 1 0.730 0.04 . 1 . . . A 566 ILE HD13 . 19213 1 1605 . 1 1 138 138 ILE C C 13 178.664 0.25 . 1 . . . A 566 ILE C . 19213 1 1606 . 1 1 138 138 ILE CA C 13 66.463 0.25 . 1 . . . A 566 ILE CA . 19213 1 1607 . 1 1 138 138 ILE CB C 13 38.360 0.25 . 1 . . . A 566 ILE CB . 19213 1 1608 . 1 1 138 138 ILE CG1 C 13 29.173 0.25 . 1 . . . A 566 ILE CG1 . 19213 1 1609 . 1 1 138 138 ILE CG2 C 13 17.854 0.25 . 1 . . . A 566 ILE CG2 . 19213 1 1610 . 1 1 138 138 ILE CD1 C 13 13.438 0.25 . 1 . . . A 566 ILE CD1 . 19213 1 1611 . 1 1 138 138 ILE N N 15 119.835 0.25 . 1 . . . A 566 ILE N . 19213 1 1612 . 1 1 139 139 ASP H H 1 8.503 0.04 . 1 . . . A 567 ASP H . 19213 1 1613 . 1 1 139 139 ASP HA H 1 4.372 0.04 . 1 . . . A 567 ASP HA . 19213 1 1614 . 1 1 139 139 ASP HB2 H 1 2.732 0.04 . 1 . . . A 567 ASP HB2 . 19213 1 1615 . 1 1 139 139 ASP HB3 H 1 2.832 0.04 . 1 . . . A 567 ASP HB3 . 19213 1 1616 . 1 1 139 139 ASP C C 13 179.395 0.25 . 1 . . . A 567 ASP C . 19213 1 1617 . 1 1 139 139 ASP CA C 13 57.846 0.25 . 1 . . . A 567 ASP CA . 19213 1 1618 . 1 1 139 139 ASP CB C 13 40.610 0.25 . 1 . . . A 567 ASP CB . 19213 1 1619 . 1 1 139 139 ASP N N 15 120.402 0.25 . 1 . . . A 567 ASP N . 19213 1 1620 . 1 1 140 140 GLN H H 1 8.273 0.04 . 1 . . . A 568 GLN H . 19213 1 1621 . 1 1 140 140 GLN HA H 1 4.147 0.04 . 1 . . . A 568 GLN HA . 19213 1 1622 . 1 1 140 140 GLN HB2 H 1 2.099 0.04 . 1 . . . A 568 GLN HB2 . 19213 1 1623 . 1 1 140 140 GLN HB3 H 1 2.288 0.04 . 1 . . . A 568 GLN HB3 . 19213 1 1624 . 1 1 140 140 GLN HG2 H 1 2.418 0.04 . 1 . . . A 568 GLN HG2 . 19213 1 1625 . 1 1 140 140 GLN HG3 H 1 2.852 0.04 . 1 . . . A 568 GLN HG3 . 19213 1 1626 . 1 1 140 140 GLN HE21 H 1 7.240 0.04 . 1 . . . A 568 GLN HE21 . 19213 1 1627 . 1 1 140 140 GLN HE22 H 1 6.730 0.04 . 1 . . . A 568 GLN HE22 . 19213 1 1628 . 1 1 140 140 GLN C C 13 179.163 0.25 . 1 . . . A 568 GLN C . 19213 1 1629 . 1 1 140 140 GLN CA C 13 59.243 0.25 . 1 . . . A 568 GLN CA . 19213 1 1630 . 1 1 140 140 GLN CB C 13 29.668 0.25 . 1 . . . A 568 GLN CB . 19213 1 1631 . 1 1 140 140 GLN CG C 13 35.125 0.25 . 1 . . . A 568 GLN CG . 19213 1 1632 . 1 1 140 140 GLN N N 15 118.044 0.25 . 1 . . . A 568 GLN N . 19213 1 1633 . 1 1 140 140 GLN NE2 N 15 109.600 0.25 . 1 . . . A 568 GLN NE2 . 19213 1 1634 . 1 1 141 141 PHE H H 1 8.962 0.04 . 1 . . . A 569 PHE H . 19213 1 1635 . 1 1 141 141 PHE HA H 1 4.303 0.04 . 1 . . . A 569 PHE HA . 19213 1 1636 . 1 1 141 141 PHE HB2 H 1 2.966 0.04 . 1 . . . A 569 PHE HB2 . 19213 1 1637 . 1 1 141 141 PHE HB3 H 1 3.204 0.04 . 1 . . . A 569 PHE HB3 . 19213 1 1638 . 1 1 141 141 PHE HD2 H 1 6.920 0.04 . 1 . . . A 569 PHE HD2 . 19213 1 1639 . 1 1 141 141 PHE HE2 H 1 6.940 0.04 . 1 . . . A 569 PHE HE2 . 19213 1 1640 . 1 1 141 141 PHE HZ H 1 6.760 0.04 . 1 . . . A 569 PHE HZ . 19213 1 1641 . 1 1 141 141 PHE C C 13 177.052 0.25 . 1 . . . A 569 PHE C . 19213 1 1642 . 1 1 141 141 PHE CA C 13 61.230 0.25 . 1 . . . A 569 PHE CA . 19213 1 1643 . 1 1 141 141 PHE CB C 13 40.614 0.25 . 1 . . . A 569 PHE CB . 19213 1 1644 . 1 1 141 141 PHE CD2 C 13 131.700 0.25 . 1 . . . A 569 PHE CD2 . 19213 1 1645 . 1 1 141 141 PHE CE2 C 13 130.700 0.25 . 1 . . . A 569 PHE CE2 . 19213 1 1646 . 1 1 141 141 PHE CZ C 13 130.300 0.25 . 1 . . . A 569 PHE CZ . 19213 1 1647 . 1 1 141 141 PHE N N 15 124.363 0.25 . 1 . . . A 569 PHE N . 19213 1 1648 . 1 1 142 142 SER H H 1 8.880 0.04 . 1 . . . A 570 SER H . 19213 1 1649 . 1 1 142 142 SER HA H 1 4.353 0.04 . 1 . . . A 570 SER HA . 19213 1 1650 . 1 1 142 142 SER HB3 H 1 4.087 0.04 . 1 . . . A 570 SER HB3 . 19213 1 1651 . 1 1 142 142 SER C C 13 177.332 0.25 . 1 . . . A 570 SER C . 19213 1 1652 . 1 1 142 142 SER CA C 13 61.727 0.25 . 1 . . . A 570 SER CA . 19213 1 1653 . 1 1 142 142 SER CB C 13 62.752 0.25 . 1 . . . A 570 SER CB . 19213 1 1654 . 1 1 142 142 SER N N 15 113.474 0.25 . 1 . . . A 570 SER N . 19213 1 1655 . 1 1 143 143 GLU H H 1 8.251 0.04 . 1 . . . A 571 GLU H . 19213 1 1656 . 1 1 143 143 GLU HA H 1 4.151 0.04 . 1 . . . A 571 GLU HA . 19213 1 1657 . 1 1 143 143 GLU HB2 H 1 2.145 0.04 . 1 . . . A 571 GLU HB2 . 19213 1 1658 . 1 1 143 143 GLU HB3 H 1 2.177 0.04 . 1 . . . A 571 GLU HB3 . 19213 1 1659 . 1 1 143 143 GLU HG3 H 1 2.355 0.04 . 1 . . . A 571 GLU HG3 . 19213 1 1660 . 1 1 143 143 GLU C C 13 178.900 0.25 . 1 . . . A 571 GLU C . 19213 1 1661 . 1 1 143 143 GLU CA C 13 59.404 0.25 . 1 . . . A 571 GLU CA . 19213 1 1662 . 1 1 143 143 GLU CB C 13 29.340 0.25 . 1 . . . A 571 GLU CB . 19213 1 1663 . 1 1 143 143 GLU CG C 13 36.366 0.25 . 1 . . . A 571 GLU CG . 19213 1 1664 . 1 1 143 143 GLU N N 15 122.935 0.25 . 1 . . . A 571 GLU N . 19213 1 1665 . 1 1 144 144 LEU H H 1 7.811 0.04 . 1 . . . A 572 LEU H . 19213 1 1666 . 1 1 144 144 LEU HA H 1 4.040 0.04 . 1 . . . A 572 LEU HA . 19213 1 1667 . 1 1 144 144 LEU HB2 H 1 1.569 0.04 . 1 . . . A 572 LEU HB2 . 19213 1 1668 . 1 1 144 144 LEU HB3 H 1 1.891 0.04 . 1 . . . A 572 LEU HB3 . 19213 1 1669 . 1 1 144 144 LEU HG H 1 1.350 0.04 . 1 . . . A 572 LEU HG . 19213 1 1670 . 1 1 144 144 LEU HD11 H 1 0.878 0.04 . 1 . . . A 572 LEU HD11 . 19213 1 1671 . 1 1 144 144 LEU HD12 H 1 0.878 0.04 . 1 . . . A 572 LEU HD12 . 19213 1 1672 . 1 1 144 144 LEU HD13 H 1 0.878 0.04 . 1 . . . A 572 LEU HD13 . 19213 1 1673 . 1 1 144 144 LEU HD21 H 1 0.614 0.04 . 1 . . . A 572 LEU HD21 . 19213 1 1674 . 1 1 144 144 LEU HD22 H 1 0.614 0.04 . 1 . . . A 572 LEU HD22 . 19213 1 1675 . 1 1 144 144 LEU HD23 H 1 0.614 0.04 . 1 . . . A 572 LEU HD23 . 19213 1 1676 . 1 1 144 144 LEU C C 13 178.222 0.25 . 1 . . . A 572 LEU C . 19213 1 1677 . 1 1 144 144 LEU CA C 13 58.316 0.25 . 1 . . . A 572 LEU CA . 19213 1 1678 . 1 1 144 144 LEU CB C 13 41.446 0.25 . 1 . . . A 572 LEU CB . 19213 1 1679 . 1 1 144 144 LEU CG C 13 26.800 0.25 . 1 . . . A 572 LEU CG . 19213 1 1680 . 1 1 144 144 LEU CD1 C 13 25.980 0.25 . 1 . . . A 572 LEU CD1 . 19213 1 1681 . 1 1 144 144 LEU CD2 C 13 23.879 0.25 . 1 . . . A 572 LEU CD2 . 19213 1 1682 . 1 1 144 144 LEU N N 15 123.239 0.25 . 1 . . . A 572 LEU N . 19213 1 1683 . 1 1 145 145 ALA H H 1 7.636 0.04 . 1 . . . A 573 ALA H . 19213 1 1684 . 1 1 145 145 ALA HA H 1 3.704 0.04 . 1 . . . A 573 ALA HA . 19213 1 1685 . 1 1 145 145 ALA HB1 H 1 1.276 0.04 . 1 . . . A 573 ALA HB1 . 19213 1 1686 . 1 1 145 145 ALA HB2 H 1 1.276 0.04 . 1 . . . A 573 ALA HB2 . 19213 1 1687 . 1 1 145 145 ALA HB3 H 1 1.276 0.04 . 1 . . . A 573 ALA HB3 . 19213 1 1688 . 1 1 145 145 ALA C C 13 180.552 0.25 . 1 . . . A 573 ALA C . 19213 1 1689 . 1 1 145 145 ALA CA C 13 55.596 0.25 . 1 . . . A 573 ALA CA . 19213 1 1690 . 1 1 145 145 ALA CB C 13 19.404 0.25 . 1 . . . A 573 ALA CB . 19213 1 1691 . 1 1 145 145 ALA N N 15 120.107 0.25 . 1 . . . A 573 ALA N . 19213 1 1692 . 1 1 146 146 SER H H 1 8.675 0.04 . 1 . . . A 574 SER H . 19213 1 1693 . 1 1 146 146 SER HA H 1 4.415 0.04 . 1 . . . A 574 SER HA . 19213 1 1694 . 1 1 146 146 SER HB2 H 1 4.020 0.04 . 1 . . . A 574 SER HB2 . 19213 1 1695 . 1 1 146 146 SER HB3 H 1 4.080 0.04 . 1 . . . A 574 SER HB3 . 19213 1 1696 . 1 1 146 146 SER C C 13 177.418 0.25 . 1 . . . A 574 SER C . 19213 1 1697 . 1 1 146 146 SER CA C 13 61.750 0.25 . 1 . . . A 574 SER CA . 19213 1 1698 . 1 1 146 146 SER CB C 13 62.688 0.25 . 1 . . . A 574 SER CB . 19213 1 1699 . 1 1 146 146 SER N N 15 116.333 0.25 . 1 . . . A 574 SER N . 19213 1 1700 . 1 1 147 147 THR H H 1 8.870 0.04 . 1 . . . A 575 THR H . 19213 1 1701 . 1 1 147 147 THR HA H 1 4.001 0.04 . 1 . . . A 575 THR HA . 19213 1 1702 . 1 1 147 147 THR HB H 1 4.283 0.04 . 1 . . . A 575 THR HB . 19213 1 1703 . 1 1 147 147 THR HG21 H 1 1.210 0.04 . 1 . . . A 575 THR HG21 . 19213 1 1704 . 1 1 147 147 THR HG22 H 1 1.210 0.04 . 1 . . . A 575 THR HG22 . 19213 1 1705 . 1 1 147 147 THR HG23 H 1 1.210 0.04 . 1 . . . A 575 THR HG23 . 19213 1 1706 . 1 1 147 147 THR C C 13 177.033 0.25 . 1 . . . A 575 THR C . 19213 1 1707 . 1 1 147 147 THR CA C 13 66.835 0.25 . 1 . . . A 575 THR CA . 19213 1 1708 . 1 1 147 147 THR CB C 13 68.384 0.25 . 1 . . . A 575 THR CB . 19213 1 1709 . 1 1 147 147 THR CG2 C 13 21.691 0.25 . 1 . . . A 575 THR CG2 . 19213 1 1710 . 1 1 147 147 THR N N 15 120.659 0.25 . 1 . . . A 575 THR N . 19213 1 1711 . 1 1 148 148 GLY H H 1 8.687 0.04 . 1 . . . A 576 GLY H . 19213 1 1712 . 1 1 148 148 GLY HA3 H 1 3.530 0.04 . 1 . . . A 576 GLY HA3 . 19213 1 1713 . 1 1 148 148 GLY C C 13 174.221 0.25 . 1 . . . A 576 GLY C . 19213 1 1714 . 1 1 148 148 GLY CA C 13 47.808 0.25 . 1 . . . A 576 GLY CA . 19213 1 1715 . 1 1 148 148 GLY N N 15 108.168 0.25 . 1 . . . A 576 GLY N . 19213 1 1716 . 1 1 149 149 SER H H 1 8.314 0.04 . 1 . . . A 577 SER H . 19213 1 1717 . 1 1 149 149 SER HA H 1 3.889 0.04 . 1 . . . A 577 SER HA . 19213 1 1718 . 1 1 149 149 SER HB2 H 1 4.170 0.04 . 1 . . . A 577 SER HB2 . 19213 1 1719 . 1 1 149 149 SER HB3 H 1 3.996 0.04 . 1 . . . A 577 SER HB3 . 19213 1 1720 . 1 1 149 149 SER C C 13 174.830 0.25 . 1 . . . A 577 SER C . 19213 1 1721 . 1 1 149 149 SER CA C 13 63.606 0.25 . 1 . . . A 577 SER CA . 19213 1 1722 . 1 1 149 149 SER CB C 13 62.564 0.25 . 1 . . . A 577 SER CB . 19213 1 1723 . 1 1 149 149 SER N N 15 118.111 0.25 . 1 . . . A 577 SER N . 19213 1 1724 . 1 1 150 150 LEU H H 1 7.841 0.04 . 1 . . . A 578 LEU H . 19213 1 1725 . 1 1 150 150 LEU HA H 1 3.785 0.04 . 1 . . . A 578 LEU HA . 19213 1 1726 . 1 1 150 150 LEU HB2 H 1 1.131 0.04 . 1 . . . A 578 LEU HB2 . 19213 1 1727 . 1 1 150 150 LEU HB3 H 1 1.890 0.04 . 1 . . . A 578 LEU HB3 . 19213 1 1728 . 1 1 150 150 LEU HG H 1 1.560 0.04 . 1 . . . A 578 LEU HG . 19213 1 1729 . 1 1 150 150 LEU HD11 H 1 0.459 0.04 . 1 . . . A 578 LEU HD11 . 19213 1 1730 . 1 1 150 150 LEU HD12 H 1 0.459 0.04 . 1 . . . A 578 LEU HD12 . 19213 1 1731 . 1 1 150 150 LEU HD13 H 1 0.459 0.04 . 1 . . . A 578 LEU HD13 . 19213 1 1732 . 1 1 150 150 LEU HD21 H 1 0.480 0.04 . 1 . . . A 578 LEU HD21 . 19213 1 1733 . 1 1 150 150 LEU HD22 H 1 0.480 0.04 . 1 . . . A 578 LEU HD22 . 19213 1 1734 . 1 1 150 150 LEU HD23 H 1 0.480 0.04 . 1 . . . A 578 LEU HD23 . 19213 1 1735 . 1 1 150 150 LEU C C 13 179.351 0.25 . 1 . . . A 578 LEU C . 19213 1 1736 . 1 1 150 150 LEU CA C 13 58.109 0.25 . 1 . . . A 578 LEU CA . 19213 1 1737 . 1 1 150 150 LEU CB C 13 41.837 0.25 . 1 . . . A 578 LEU CB . 19213 1 1738 . 1 1 150 150 LEU CG C 13 27.800 0.25 . 1 . . . A 578 LEU CG . 19213 1 1739 . 1 1 150 150 LEU CD1 C 13 25.999 0.25 . 1 . . . A 578 LEU CD1 . 19213 1 1740 . 1 1 150 150 LEU CD2 C 13 24.307 0.25 . 1 . . . A 578 LEU CD2 . 19213 1 1741 . 1 1 150 150 LEU N N 15 122.532 0.25 . 1 . . . A 578 LEU N . 19213 1 1742 . 1 1 151 151 VAL H H 1 8.789 0.04 . 1 . . . A 579 VAL H . 19213 1 1743 . 1 1 151 151 VAL CA C 13 59.949 0.25 . 1 . . . A 579 VAL CA . 19213 1 1744 . 1 1 151 151 VAL CB C 13 31.167 0.25 . 1 . . . A 579 VAL CB . 19213 1 1745 . 1 1 151 151 VAL N N 15 122.455 0.25 . 1 . . . A 579 VAL N . 19213 1 1746 . 1 1 154 154 ARG HA H 1 3.694 0.04 . 1 . . . A 582 ARG HA . 19213 1 1747 . 1 1 154 154 ARG C C 13 170.822 0.25 . 1 . . . A 582 ARG C . 19213 1 1748 . 1 1 154 154 ARG CA C 13 58.211 0.25 . 1 . . . A 582 ARG CA . 19213 1 1749 . 1 1 154 154 ARG CB C 13 30.031 0.25 . 1 . . . A 582 ARG CB . 19213 1 1750 . 1 1 154 154 ARG CG C 13 28.307 0.25 . 1 . . . A 582 ARG CG . 19213 1 1751 . 1 1 155 155 LEU H H 1 7.100 0.04 . 1 . . . A 583 LEU H . 19213 1 1752 . 1 1 155 155 LEU CA C 13 58.995 0.25 . 1 . . . A 583 LEU CA . 19213 1 1753 . 1 1 155 155 LEU CB C 13 42.668 0.25 . 1 . . . A 583 LEU CB . 19213 1 1754 . 1 1 155 155 LEU N N 15 118.579 0.25 . 1 . . . A 583 LEU N . 19213 1 1755 . 1 1 157 157 PHE C C 13 176.850 0.25 . 1 . . . A 585 PHE C . 19213 1 1756 . 1 1 157 157 PHE CA C 13 54.882 0.25 . 1 . . . A 585 PHE CA . 19213 1 1757 . 1 1 157 157 PHE CB C 13 41.019 0.25 . 1 . . . A 585 PHE CB . 19213 1 1758 . 1 1 158 158 LEU H H 1 8.147 0.04 . 1 . . . A 586 LEU H . 19213 1 1759 . 1 1 158 158 LEU CA C 13 55.891 0.25 . 1 . . . A 586 LEU CA . 19213 1 1760 . 1 1 158 158 LEU CB C 13 42.021 0.25 . 1 . . . A 586 LEU CB . 19213 1 1761 . 1 1 158 158 LEU N N 15 122.944 0.25 . 1 . . . A 586 LEU N . 19213 1 1762 . 1 1 159 159 GLU HA H 1 4.213 0.04 . 1 . . . A 587 GLU HA . 19213 1 1763 . 1 1 159 159 GLU HB2 H 1 1.941 0.04 . 1 . . . A 587 GLU HB2 . 19213 1 1764 . 1 1 159 159 GLU HB3 H 1 2.065 0.04 . 1 . . . A 587 GLU HB3 . 19213 1 1765 . 1 1 159 159 GLU HG3 H 1 2.256 0.04 . 1 . . . A 587 GLU HG3 . 19213 1 1766 . 1 1 159 159 GLU C C 13 176.917 0.25 . 1 . . . A 587 GLU C . 19213 1 1767 . 1 1 159 159 GLU CA C 13 57.437 0.25 . 1 . . . A 587 GLU CA . 19213 1 1768 . 1 1 159 159 GLU CB C 13 30.047 0.25 . 1 . . . A 587 GLU CB . 19213 1 1769 . 1 1 159 159 GLU CG C 13 36.517 0.25 . 1 . . . A 587 GLU CG . 19213 1 1770 . 1 1 160 160 GLN H H 1 8.402 0.04 . 1 . . . A 588 GLN H . 19213 1 1771 . 1 1 160 160 GLN CA C 13 57.300 0.25 . 1 . . . A 588 GLN CA . 19213 1 1772 . 1 1 160 160 GLN CB C 13 30.196 0.25 . 1 . . . A 588 GLN CB . 19213 1 1773 . 1 1 160 160 GLN N N 15 120.604 0.25 . 1 . . . A 588 GLN N . 19213 1 1774 . 1 1 161 161 THR HA H 1 4.167 0.04 . 1 . . . A 589 THR HA . 19213 1 1775 . 1 1 161 161 THR HB H 1 4.209 0.04 . 1 . . . A 589 THR HB . 19213 1 1776 . 1 1 161 161 THR HG21 H 1 1.127 0.04 . 1 . . . A 589 THR HG21 . 19213 1 1777 . 1 1 161 161 THR HG22 H 1 1.127 0.04 . 1 . . . A 589 THR HG22 . 19213 1 1778 . 1 1 161 161 THR HG23 H 1 1.127 0.04 . 1 . . . A 589 THR HG23 . 19213 1 1779 . 1 1 161 161 THR C C 13 174.851 0.25 . 1 . . . A 589 THR C . 19213 1 1780 . 1 1 161 161 THR CA C 13 62.959 0.25 . 1 . . . A 589 THR CA . 19213 1 1781 . 1 1 161 161 THR CB C 13 69.693 0.25 . 1 . . . A 589 THR CB . 19213 1 1782 . 1 1 161 161 THR CG2 C 13 21.546 0.25 . 1 . . . A 589 THR CG2 . 19213 1 1783 . 1 1 162 162 ILE H H 1 8.028 0.04 . 1 . . . A 590 ILE H . 19213 1 1784 . 1 1 162 162 ILE CA C 13 61.524 0.25 . 1 . . . A 590 ILE CA . 19213 1 1785 . 1 1 162 162 ILE CB C 13 38.402 0.25 . 1 . . . A 590 ILE CB . 19213 1 1786 . 1 1 162 162 ILE N N 15 123.158 0.25 . 1 . . . A 590 ILE N . 19213 1 1787 . 1 1 163 163 ALA HA H 1 4.180 0.04 . 1 . . . A 591 ALA HA . 19213 1 1788 . 1 1 163 163 ALA HB1 H 1 1.396 0.04 . 1 . . . A 591 ALA HB1 . 19213 1 1789 . 1 1 163 163 ALA HB2 H 1 1.396 0.04 . 1 . . . A 591 ALA HB2 . 19213 1 1790 . 1 1 163 163 ALA HB3 H 1 1.396 0.04 . 1 . . . A 591 ALA HB3 . 19213 1 1791 . 1 1 163 163 ALA C C 13 178.457 0.25 . 1 . . . A 591 ALA C . 19213 1 1792 . 1 1 163 163 ALA CA C 13 53.569 0.25 . 1 . . . A 591 ALA CA . 19213 1 1793 . 1 1 163 163 ALA CB C 13 18.733 0.25 . 1 . . . A 591 ALA CB . 19213 1 1794 . 1 1 164 164 SER H H 1 7.946 0.04 . 1 . . . A 592 SER H . 19213 1 1795 . 1 1 164 164 SER HA H 1 4.290 0.04 . 1 . . . A 592 SER HA . 19213 1 1796 . 1 1 164 164 SER HB2 H 1 3.860 0.04 . 1 . . . A 592 SER HB2 . 19213 1 1797 . 1 1 164 164 SER HB3 H 1 3.900 0.04 . 1 . . . A 592 SER HB3 . 19213 1 1798 . 1 1 164 164 SER C C 13 174.913 0.25 . 1 . . . A 592 SER C . 19213 1 1799 . 1 1 164 164 SER CA C 13 58.992 0.25 . 1 . . . A 592 SER CA . 19213 1 1800 . 1 1 164 164 SER CB C 13 63.550 0.25 . 1 . . . A 592 SER CB . 19213 1 1801 . 1 1 164 164 SER N N 15 113.507 0.25 . 1 . . . A 592 SER N . 19213 1 1802 . 1 1 165 165 LEU H H 1 7.901 0.04 . 1 . . . A 593 LEU H . 19213 1 1803 . 1 1 165 165 LEU CA C 13 55.774 0.25 . 1 . . . A 593 LEU CA . 19213 1 1804 . 1 1 165 165 LEU CB C 13 42.119 0.25 . 1 . . . A 593 LEU CB . 19213 1 1805 . 1 1 165 165 LEU N N 15 122.847 0.25 . 1 . . . A 593 LEU N . 19213 1 stop_ save_