data_19214 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19214 _Entry.Title ; Green 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 'Pg 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 . . . 19214 2 Claudia Cornilescu . C. . 19214 3 Sethe Burgie . E. . 19214 4 Joseph Walker . M. . 19214 5 John Markley . L. . 19214 6 Andrew Ulijasz . T. . 19214 7 Richard Vierstra . D. . 19214 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' . 19214 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'blue/green light-absorbing' . 19214 cyanobacteria . 19214 phycoviolobilin . 19214 phytochrome . 19214 PixJ . 19214 PVB . 19214 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19214 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 547 19214 '15N chemical shifts' 145 19214 '1H chemical shifts' 852 19214 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' 19214 1 . . 2014-01-02 2013-05-01 original author 'original release' 19214 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4FOF ; Pb state of TePixJ(GAF) solved to 2.45 A resolution ; 19214 PDB 4GLQ ; Pb state of TePixJ(GAF) solved to 1.77 A resolution ; 19214 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19214 _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. . 19214 1 2 Gabriel Cornilescu . . . 19214 1 3 'E. Sethe' Burgie . . . 19214 1 4 John Markley . L. . 19214 1 5 Andrew Ulijasz . T. . 19214 1 6 Richard Vierstra . D. . 19214 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19214 _Assembly.ID 1 _Assembly.Name 'Green Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain' _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 $entity_1 A . yes native no no . . . 19214 1 2 PHYCOCYANOBILIN 2 $entity_CYC B . no native no no . . . 19214 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19214 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 19213 . TePixJ . . . . . 100.00 165 100.00 100.00 1.30e-115 . . . . 19214 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 . . . . 19214 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 . . . . 19214 1 4 no PDB 3VV4 . "Crystal Structure Of Cyanobacteriochrome Tepixj Gaf Domain" . . . . . 98.79 196 99.39 99.39 3.74e-113 . . . . 19214 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 . . . . 19214 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 . . . . 19214 1 7 no DBJ BAC08121 . "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus BP-1]" . . . . . 98.79 940 98.77 99.39 5.38e-108 . . . . 19214 1 8 no REF NP_681359 . "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus BP-1]" . . . . . 98.79 940 98.77 99.39 5.38e-108 . . . . 19214 1 9 no REF WP_011056417 . "methyl-accepting chemotaxis protein [Thermosynechococcus elongatus]" . . . . . 98.79 940 98.77 99.39 5.38e-108 . . . . 19214 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 . 19214 1 2 430 ALA . 19214 1 3 431 ALA . 19214 1 4 432 VAL . 19214 1 5 433 GLN . 19214 1 6 434 LEU . 19214 1 7 435 SER . 19214 1 8 436 GLU . 19214 1 9 437 LEU . 19214 1 10 438 ARG . 19214 1 11 439 ASP . 19214 1 12 440 ARG . 19214 1 13 441 GLN . 19214 1 14 442 ALA . 19214 1 15 443 ILE . 19214 1 16 444 PHE . 19214 1 17 445 GLU . 19214 1 18 446 THR . 19214 1 19 447 LEU . 19214 1 20 448 VAL . 19214 1 21 449 ALA . 19214 1 22 450 LYS . 19214 1 23 451 GLY . 19214 1 24 452 ARG . 19214 1 25 453 GLU . 19214 1 26 454 LEU . 19214 1 27 455 LEU . 19214 1 28 456 ALA . 19214 1 29 457 CYS . 19214 1 30 458 ASP . 19214 1 31 459 ARG . 19214 1 32 460 VAL . 19214 1 33 461 ILE . 19214 1 34 462 VAL . 19214 1 35 463 TYR . 19214 1 36 464 ALA . 19214 1 37 465 PHE . 19214 1 38 466 ASP . 19214 1 39 467 ASP . 19214 1 40 468 ASN . 19214 1 41 469 TYR . 19214 1 42 470 VAL . 19214 1 43 471 GLY . 19214 1 44 472 THR . 19214 1 45 473 VAL . 19214 1 46 474 VAL . 19214 1 47 475 ALA . 19214 1 48 476 GLU . 19214 1 49 477 SER . 19214 1 50 478 VAL . 19214 1 51 479 ALA . 19214 1 52 480 GLU . 19214 1 53 481 GLY . 19214 1 54 482 TRP . 19214 1 55 483 PRO . 19214 1 56 484 GLN . 19214 1 57 485 ALA . 19214 1 58 486 ARG . 19214 1 59 487 ASP . 19214 1 60 488 GLN . 19214 1 61 489 VAL . 19214 1 62 490 ILE . 19214 1 63 491 GLU . 19214 1 64 492 ASP . 19214 1 65 493 PRO . 19214 1 66 494 CYS . 19214 1 67 495 PHE . 19214 1 68 496 ARG . 19214 1 69 497 GLU . 19214 1 70 498 HIS . 19214 1 71 499 TRP . 19214 1 72 500 VAL . 19214 1 73 501 GLU . 19214 1 74 502 ALA . 19214 1 75 503 TYR . 19214 1 76 504 ARG . 19214 1 77 505 GLN . 19214 1 78 506 GLY . 19214 1 79 507 ARG . 19214 1 80 508 ILE . 19214 1 81 509 GLN . 19214 1 82 510 ALA . 19214 1 83 511 THR . 19214 1 84 512 THR . 19214 1 85 513 ASP . 19214 1 86 514 ILE . 19214 1 87 515 PHE . 19214 1 88 516 LYS . 19214 1 89 517 ALA . 19214 1 90 518 GLY . 19214 1 91 519 LEU . 19214 1 92 520 THR . 19214 1 93 521 GLU . 19214 1 94 522 CYS . 19214 1 95 523 HIS . 19214 1 96 524 LEU . 19214 1 97 525 ASN . 19214 1 98 526 GLN . 19214 1 99 527 LEU . 19214 1 100 528 ARG . 19214 1 101 529 PRO . 19214 1 102 530 LEU . 19214 1 103 531 LYS . 19214 1 104 532 VAL . 19214 1 105 533 ARG . 19214 1 106 534 ALA . 19214 1 107 535 ASN . 19214 1 108 536 LEU . 19214 1 109 537 VAL . 19214 1 110 538 VAL . 19214 1 111 539 PRO . 19214 1 112 540 MET . 19214 1 113 541 VAL . 19214 1 114 542 ILE . 19214 1 115 543 ASP . 19214 1 116 544 ASP . 19214 1 117 545 GLN . 19214 1 118 546 LEU . 19214 1 119 547 PHE . 19214 1 120 548 GLY . 19214 1 121 549 LEU . 19214 1 122 550 LEU . 19214 1 123 551 ILE . 19214 1 124 552 ALA . 19214 1 125 553 HIS . 19214 1 126 554 GLN . 19214 1 127 555 ALA . 19214 1 128 556 SER . 19214 1 129 557 GLU . 19214 1 130 558 PRO . 19214 1 131 559 ARG . 19214 1 132 560 GLN . 19214 1 133 561 TRP . 19214 1 134 562 GLN . 19214 1 135 563 GLU . 19214 1 136 564 ILE . 19214 1 137 565 GLU . 19214 1 138 566 ILE . 19214 1 139 567 ASP . 19214 1 140 568 GLN . 19214 1 141 569 PHE . 19214 1 142 570 SER . 19214 1 143 571 GLU . 19214 1 144 572 LEU . 19214 1 145 573 ALA . 19214 1 146 574 SER . 19214 1 147 575 THR . 19214 1 148 576 GLY . 19214 1 149 577 SER . 19214 1 150 578 LEU . 19214 1 151 579 VAL . 19214 1 152 580 LEU . 19214 1 153 581 GLU . 19214 1 154 582 ARG . 19214 1 155 583 LEU . 19214 1 156 584 HIS . 19214 1 157 585 PHE . 19214 1 158 586 LEU . 19214 1 159 587 GLU . 19214 1 160 588 GLN . 19214 1 161 589 THR . 19214 1 162 590 ILE . 19214 1 163 591 ALA . 19214 1 164 592 SER . 19214 1 165 593 LEU . 19214 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 19214 1 . ALA 2 2 19214 1 . ALA 3 3 19214 1 . VAL 4 4 19214 1 . GLN 5 5 19214 1 . LEU 6 6 19214 1 . SER 7 7 19214 1 . GLU 8 8 19214 1 . LEU 9 9 19214 1 . ARG 10 10 19214 1 . ASP 11 11 19214 1 . ARG 12 12 19214 1 . GLN 13 13 19214 1 . ALA 14 14 19214 1 . ILE 15 15 19214 1 . PHE 16 16 19214 1 . GLU 17 17 19214 1 . THR 18 18 19214 1 . LEU 19 19 19214 1 . VAL 20 20 19214 1 . ALA 21 21 19214 1 . LYS 22 22 19214 1 . GLY 23 23 19214 1 . ARG 24 24 19214 1 . GLU 25 25 19214 1 . LEU 26 26 19214 1 . LEU 27 27 19214 1 . ALA 28 28 19214 1 . CYS 29 29 19214 1 . ASP 30 30 19214 1 . ARG 31 31 19214 1 . VAL 32 32 19214 1 . ILE 33 33 19214 1 . VAL 34 34 19214 1 . TYR 35 35 19214 1 . ALA 36 36 19214 1 . PHE 37 37 19214 1 . ASP 38 38 19214 1 . ASP 39 39 19214 1 . ASN 40 40 19214 1 . TYR 41 41 19214 1 . VAL 42 42 19214 1 . GLY 43 43 19214 1 . THR 44 44 19214 1 . VAL 45 45 19214 1 . VAL 46 46 19214 1 . ALA 47 47 19214 1 . GLU 48 48 19214 1 . SER 49 49 19214 1 . VAL 50 50 19214 1 . ALA 51 51 19214 1 . GLU 52 52 19214 1 . GLY 53 53 19214 1 . TRP 54 54 19214 1 . PRO 55 55 19214 1 . GLN 56 56 19214 1 . ALA 57 57 19214 1 . ARG 58 58 19214 1 . ASP 59 59 19214 1 . GLN 60 60 19214 1 . VAL 61 61 19214 1 . ILE 62 62 19214 1 . GLU 63 63 19214 1 . ASP 64 64 19214 1 . PRO 65 65 19214 1 . CYS 66 66 19214 1 . PHE 67 67 19214 1 . ARG 68 68 19214 1 . GLU 69 69 19214 1 . HIS 70 70 19214 1 . TRP 71 71 19214 1 . VAL 72 72 19214 1 . GLU 73 73 19214 1 . ALA 74 74 19214 1 . TYR 75 75 19214 1 . ARG 76 76 19214 1 . GLN 77 77 19214 1 . GLY 78 78 19214 1 . ARG 79 79 19214 1 . ILE 80 80 19214 1 . GLN 81 81 19214 1 . ALA 82 82 19214 1 . THR 83 83 19214 1 . THR 84 84 19214 1 . ASP 85 85 19214 1 . ILE 86 86 19214 1 . PHE 87 87 19214 1 . LYS 88 88 19214 1 . ALA 89 89 19214 1 . GLY 90 90 19214 1 . LEU 91 91 19214 1 . THR 92 92 19214 1 . GLU 93 93 19214 1 . CYS 94 94 19214 1 . HIS 95 95 19214 1 . LEU 96 96 19214 1 . ASN 97 97 19214 1 . GLN 98 98 19214 1 . LEU 99 99 19214 1 . ARG 100 100 19214 1 . PRO 101 101 19214 1 . LEU 102 102 19214 1 . LYS 103 103 19214 1 . VAL 104 104 19214 1 . ARG 105 105 19214 1 . ALA 106 106 19214 1 . ASN 107 107 19214 1 . LEU 108 108 19214 1 . VAL 109 109 19214 1 . VAL 110 110 19214 1 . PRO 111 111 19214 1 . MET 112 112 19214 1 . VAL 113 113 19214 1 . ILE 114 114 19214 1 . ASP 115 115 19214 1 . ASP 116 116 19214 1 . GLN 117 117 19214 1 . LEU 118 118 19214 1 . PHE 119 119 19214 1 . GLY 120 120 19214 1 . LEU 121 121 19214 1 . LEU 122 122 19214 1 . ILE 123 123 19214 1 . ALA 124 124 19214 1 . HIS 125 125 19214 1 . GLN 126 126 19214 1 . ALA 127 127 19214 1 . SER 128 128 19214 1 . GLU 129 129 19214 1 . PRO 130 130 19214 1 . ARG 131 131 19214 1 . GLN 132 132 19214 1 . TRP 133 133 19214 1 . GLN 134 134 19214 1 . GLU 135 135 19214 1 . ILE 136 136 19214 1 . GLU 137 137 19214 1 . ILE 138 138 19214 1 . ASP 139 139 19214 1 . GLN 140 140 19214 1 . PHE 141 141 19214 1 . SER 142 142 19214 1 . GLU 143 143 19214 1 . LEU 144 144 19214 1 . ALA 145 145 19214 1 . SER 146 146 19214 1 . THR 147 147 19214 1 . GLY 148 148 19214 1 . SER 149 149 19214 1 . LEU 150 150 19214 1 . VAL 151 151 19214 1 . LEU 152 152 19214 1 . GLU 153 153 19214 1 . ARG 154 154 19214 1 . LEU 155 155 19214 1 . HIS 156 156 19214 1 . PHE 157 157 19214 1 . LEU 158 158 19214 1 . GLU 159 159 19214 1 . GLN 160 160 19214 1 . THR 161 161 19214 1 . ILE 162 162 19214 1 . ALA 163 163 19214 1 . SER 164 164 19214 1 . LEU 165 165 19214 1 stop_ save_ save_entity_CYC _Entity.Sf_category entity _Entity.Sf_framecode entity_CYC _Entity.Entry_ID 19214 _Entity.ID 2 _Entity.BMRB_code CYC _Entity.Name PHYCOCYANOBILIN _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 CYC _Entity.Nonpolymer_comp_label $chem_comp_CYC _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _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 PHYCOCYANOBILIN BMRB 19214 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID PHYCOCYANOBILIN BMRB 19214 2 CYC 'Three letter code' 19214 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 CYC $chem_comp_CYC 19214 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 CYC C1A 19214 2 2 1 CYC C1B 19214 2 3 1 CYC C1C 19214 2 4 1 CYC C1D 19214 2 5 1 CYC C2A 19214 2 6 1 CYC C2B 19214 2 7 1 CYC C2C 19214 2 8 1 CYC C2D 19214 2 9 1 CYC C3A 19214 2 10 1 CYC C3B 19214 2 11 1 CYC C3C 19214 2 12 1 CYC C3D 19214 2 13 1 CYC C4A 19214 2 14 1 CYC C4B 19214 2 15 1 CYC C4C 19214 2 16 1 CYC C4D 19214 2 17 1 CYC CAA 19214 2 18 1 CYC CAB 19214 2 19 1 CYC CAC 19214 2 20 1 CYC CAD 19214 2 21 1 CYC CBA 19214 2 22 1 CYC CBB 19214 2 23 1 CYC CBC 19214 2 24 1 CYC CBD 19214 2 25 1 CYC CGA 19214 2 26 1 CYC CGD 19214 2 27 1 CYC CHA 19214 2 28 1 CYC CHB 19214 2 29 1 CYC CHD 19214 2 30 1 CYC CMA 19214 2 31 1 CYC CMB 19214 2 32 1 CYC CMC 19214 2 33 1 CYC CMD 19214 2 34 1 CYC H2A 19214 2 35 1 CYC H2C 19214 2 36 1 CYC H2D 19214 2 37 1 CYC H3C 19214 2 38 1 CYC HAA1 19214 2 39 1 CYC HAA2 19214 2 40 1 CYC HAB1 19214 2 41 1 CYC HAB2 19214 2 42 1 CYC HAC1 19214 2 43 1 CYC HAC2 19214 2 44 1 CYC HAD1 19214 2 45 1 CYC HAD2 19214 2 46 1 CYC HB 19214 2 47 1 CYC HBA1 19214 2 48 1 CYC HBA2 19214 2 49 1 CYC HBB1 19214 2 50 1 CYC HBB2 19214 2 51 1 CYC HBB3 19214 2 52 1 CYC HBC1 19214 2 53 1 CYC HBC2 19214 2 54 1 CYC HBC3 19214 2 55 1 CYC HBD1 19214 2 56 1 CYC HBD2 19214 2 57 1 CYC HC 19214 2 58 1 CYC HD 19214 2 59 1 CYC HHA 19214 2 60 1 CYC HHB 19214 2 61 1 CYC HHD 19214 2 62 1 CYC HMA1 19214 2 63 1 CYC HMA2 19214 2 64 1 CYC HMA3 19214 2 65 1 CYC HMB1 19214 2 66 1 CYC HMB2 19214 2 67 1 CYC HMB3 19214 2 68 1 CYC HMC1 19214 2 69 1 CYC HMC2 19214 2 70 1 CYC HMC3 19214 2 71 1 CYC HMD1 19214 2 72 1 CYC HMD2 19214 2 73 1 CYC HMD3 19214 2 74 1 CYC NA 19214 2 75 1 CYC NB 19214 2 76 1 CYC NC 19214 2 77 1 CYC ND 19214 2 78 1 CYC O1A 19214 2 79 1 CYC O1D 19214 2 80 1 CYC O2A 19214 2 81 1 CYC O2D 19214 2 82 1 CYC OB 19214 2 83 1 CYC OC 19214 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 19214 _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 $entity_1 . 146786 organism . 'Thermosynechococcus elongatus' 'Thermosynechococcus elongatus' . . Bacteria . Thermosynechococcus elongatus BP-1 . . . . . . . . . . . . . . . tll0569 . C555A . . 19214 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 19214 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pBAD-Myc-His . . . . . . 19214 1 2 2 $entity_CYC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . ALA . . . . . . 19214 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CYC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYC _Chem_comp.Entry_ID 19214 _Chem_comp.ID CYC _Chem_comp.Provenance PDB _Chem_comp.Name PHYCOCYANOBILIN _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CYC _Chem_comp.PDB_code CYC _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 CYC _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/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/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 . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CPC _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 CCC1C(C(=O)NC1=Cc2c(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' 1.5.0 19214 CYC CC[C@@H]1[C@@H](C)C(=O)N\C1=C/c2[nH]c(\C=C3/N=C(\C=C4/NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES_CANONICAL CACTVS 3.341 19214 CYC CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C SMILES CACTVS 3.341 19214 CYC CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(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' 1.5.0 19214 CYC InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1 InChI InChI 1.03 19214 CYC VXTXPYZGDQPMHK-GMXXPEQVSA-N InChIKey InChI 1.03 19214 CYC 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-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-3-yl]propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19214 CYC (3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one 'SYSTEMATIC NAME' ACD-LABS 4.04 19214 CYC 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 CHA CHA CHA CHA . C . . N 0 . . . 1 no no . . . . 16.072 . -11.574 . -17.298 . 0.268 -0.622 -2.329 1 . 19214 CYC NA NA NA 'N A' . N . . N 0 . . . 1 no no . . . . 14.262 . -13.278 . -17.145 . -1.390 -0.099 -0.610 2 . 19214 CYC C1A C1A C1A C1A . C . . N 0 . . . 1 no no . . . . 14.747 . -11.984 . -17.112 . -1.045 -0.538 -1.824 3 . 19214 CYC C2A C2A C2A C2A . C . . N 0 . . . 1 no no . . . . 13.728 . -11.126 . -16.625 . -2.224 -0.897 -2.519 4 . 19214 CYC C3A C3A C3A C3A . C . . N 0 . . . 1 no no . . . . 12.553 . -11.911 . -16.509 . -3.264 -0.664 -1.675 5 . 19214 CYC C4A C4A C4A C4A . C . . N 0 . . . 1 no no . . . . 12.899 . -13.242 . -16.846 . -2.714 -0.157 -0.475 6 . 19214 CYC CMA CMA CMA CMA . C . . N 0 . . . 1 no no . . . . 11.203 . -11.379 . -16.135 . -4.725 -0.897 -1.964 7 . 19214 CYC CAA CAA CAA CAA . C . . N 0 . . . 1 no no . . . . 13.886 . -9.738 . -16.100 . -2.309 -1.442 -3.922 8 . 19214 CYC CBA CBA CBA CBA . C . . N 0 . . . 1 no no . . . . 14.280 . -9.828 . -14.581 . -2.455 -0.283 -4.911 9 . 19214 CYC CGA CGA CGA CGA . C . . N 0 . . . 1 no no . . . . 15.763 . -9.548 . -14.423 . -2.541 -0.827 -6.313 10 . 19214 CYC O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 16.410 . -10.079 . -13.469 . -2.490 -2.020 -6.503 11 . 19214 CYC O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 16.282 . -8.743 . -15.262 . -2.673 0.011 -7.352 12 . 19214 CYC CHB CHB CHB CHB . C . . N 0 . . . 1 no no . . . . 12.006 . -14.365 . -16.911 . -3.447 0.224 0.675 13 . 19214 CYC NB NB NB 'N B' . N . . N 0 . . . 1 no no . . . . 10.914 . -14.235 . -14.608 . -1.450 1.151 1.796 14 . 19214 CYC C1B C1B C1B C1B . C . . N 0 . . . 1 no no . . . . 11.114 . -14.835 . -15.895 . -2.805 0.840 1.727 15 . 19214 CYC C2B C2B C2B C2B . C . . N 0 . . . 1 no no . . . . 10.295 . -16.021 . -15.972 . -3.403 1.277 2.928 16 . 19214 CYC C3B C3B C3B C3B . C . . N 0 . . . 1 no no . . . . 9.520 . -16.056 . -14.783 . -2.423 1.826 3.695 17 . 19214 CYC C4B C4B C4B C4B . C . . N 0 . . . 1 no no . . . . 9.952 . -14.886 . -13.935 . -1.212 1.746 2.980 18 . 19214 CYC CMB CMB CMB CMB . C . . N 0 . . . 1 no no . . . . 10.208 . -17.019 . -17.077 . -4.859 1.150 3.298 19 . 19214 CYC CAB CAB CAB CAB . C . . N 0 . . . 1 no no . . . . 8.480 . -17.082 . -14.505 . -2.603 2.421 5.068 20 . 19214 CYC CBB CBB CBB CBB . C . . N 0 . . . 1 no no . . . . 7.111 . -16.406 . -14.410 . -2.299 1.360 6.127 21 . 19214 CYC OB OB OB 'O B' . O . . N 0 . . . 1 no no . . . . 9.560 . -14.550 . -12.786 . -0.129 2.149 3.369 22 . 19214 CYC NC NC NC 'N C' . N . . N 0 . . . 1 no no . . . . 20.847 . -14.689 . -20.726 . 1.128 -1.517 2.423 23 . 19214 CYC C1C C1C C1C C1C . C . . N 0 . . . 1 no no . . . . 21.538 . -15.374 . -21.636 . 0.543 -1.978 3.536 24 . 19214 CYC C2C C2C C2C C2C . C . . R 0 . . . 1 no no . . . . 21.141 . -16.843 . -21.715 . 1.289 -1.467 4.747 25 . 19214 CYC C3C C3C C3C C3C . C . . R 0 . . . 1 no no . . . . 20.014 . -16.879 . -20.661 . 2.429 -0.616 4.154 26 . 19214 CYC C4C C4C C4C C4C . C . . N 0 . . . 1 no no . . . . 19.877 . -15.510 . -20.085 . 2.221 -0.722 2.659 27 . 19214 CYC CMC CMC CMC CMC . C . . N 0 . . . 1 no no . . . . 20.636 . -17.098 . -23.144 . 0.374 -0.605 5.620 28 . 19214 CYC CAC CAC CAC CAC . C . . N 0 . . . 1 no no . . . . 20.179 . -18.039 . -19.615 . 3.790 -1.190 4.549 29 . 19214 CYC CBC CBC CBC CBC . C . . N 0 . . . 1 no no . . . . 20.016 . -19.399 . -20.329 . 3.971 -1.077 6.064 30 . 19214 CYC OC OC OC 'O C' . O . . N 0 . . . 1 no no . . . . 22.420 . -14.918 . -22.359 . -0.435 -2.694 3.567 31 . 19214 CYC CHD CHD CHD CHD . C . . N 0 . . . 1 no no . . . . 18.816 . -15.053 . -19.282 . 2.984 -0.136 1.714 32 . 19214 CYC ND ND ND 'N D' . N . . N 0 . . . 1 yes no . . . . 17.212 . -13.553 . -18.257 . 1.328 -0.450 -0.102 33 . 19214 CYC C1D C1D C1D C1D . C . . N 0 . . . 1 yes no . . . . 18.494 . -13.816 . -18.691 . 2.589 -0.185 0.355 34 . 19214 CYC C2D C2D C2D C2D . C . . N 0 . . . 1 yes no . . . . 19.326 . -12.648 . -18.415 . 3.421 0.033 -0.744 35 . 19214 CYC C3D C3D C3D C3D . C . . N 0 . . . 1 yes no . . . . 18.480 . -11.682 . -17.886 . 2.662 -0.109 -1.885 36 . 19214 CYC C4D C4D C4D C4D . C . . N 0 . . . 1 yes no . . . . 17.178 . -12.262 . -17.796 . 1.350 -0.408 -1.486 37 . 19214 CYC CMD CMD CMD CMD . C . . N 0 . . . 1 no no . . . . 20.780 . -12.407 . -18.647 . 4.891 0.357 -0.693 38 . 19214 CYC CAD CAD CAD CAD . C . . N 0 . . . 1 no no . . . . 18.918 . -10.360 . -17.354 . 3.150 0.036 -3.303 39 . 19214 CYC CBD CBD CBD CBD . C . . N 0 . . . 1 no no . . . . 19.071 . -9.232 . -18.399 . 3.005 1.494 -3.745 40 . 19214 CYC CGD CGD CGD CGD . C . . N 0 . . . 1 no no . . . . 19.672 . -7.982 . -17.708 . 3.493 1.640 -5.163 41 . 19214 CYC O1D O1D O1D O1D . O . . N 0 . . . 1 no no . . . . 20.012 . -7.018 . -18.466 . 3.914 0.677 -5.760 42 . 19214 CYC O2D O2D O2D O2D . O . . N 0 . . . 1 no no . . . . 19.829 . -7.970 . -16.431 . 3.460 2.840 -5.764 43 . 19214 CYC HHA HHA HHA HHA . H . . N 0 . . . 1 no no . . . . 16.279 . -10.532 . -17.001 . 0.432 -0.854 -3.371 44 . 19214 CYC HMA1 HMA1 HMA1 1HMA . H . . N 0 . . . 0 no no . . . . 10.279 . -11.996 . -16.043 . -5.318 -0.611 -1.095 45 . 19214 CYC HMA2 HMA2 HMA2 2HMA . H . . N 0 . . . 0 no no . . . . 11.326 . -10.838 . -15.167 . -5.025 -0.296 -2.822 46 . 19214 CYC HMA3 HMA3 HMA3 3HMA . H . . N 0 . . . 0 no no . . . . 10.971 . -10.555 . -16.850 . -4.888 -1.952 -2.185 47 . 19214 CYC HAA1 HAA1 HAA1 1HAA . H . . N 0 . . . 0 no no . . . . 14.608 . -9.132 . -16.696 . -1.403 -2.002 -4.150 48 . 19214 CYC HAA2 HAA2 HAA2 2HAA . H . . N 0 . . . 0 no no . . . . 12.982 . -9.107 . -16.272 . -3.174 -2.100 -4.004 49 . 19214 CYC HBA1 HBA1 HBA1 1HBA . H . . N 0 . . . 0 no no . . . . 13.655 . -9.159 . -13.944 . -3.362 0.277 -4.682 50 . 19214 CYC HBA2 HBA2 HBA2 2HBA . H . . N 0 . . . 0 no no . . . . 13.985 . -10.802 . -14.126 . -1.590 0.375 -4.829 51 . 19214 CYC H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 17.210 . -8.567 . -15.163 . -2.728 -0.337 -8.252 52 . 19214 CYC HHB HHB HHB HHB . H . . N 0 . . . 1 no no . . . . 12.005 . -14.935 . -17.855 . -4.508 0.032 0.727 53 . 19214 CYC HB HB HB 'H B' . H . . N 0 . . . 1 no no . . . . 11.403 . -13.431 . -14.213 . -0.790 0.970 1.108 54 . 19214 CYC HMB1 HMB1 HMB1 1HMB . H . . N 0 . . . 0 no no . . . . 9.575 . -17.935 . -17.136 . -5.400 0.668 2.483 55 . 19214 CYC HMB2 HMB2 HMB2 2HMB . H . . N 0 . . . 0 no no . . . . 9.969 . -16.430 . -17.993 . -4.953 0.549 4.202 56 . 19214 CYC HMB3 HMB3 HMB3 3HMB . H . . N 0 . . . 0 no no . . . . 11.253 . -17.365 . -17.250 . -5.277 2.141 3.475 57 . 19214 CYC HAB1 HAB1 HAB1 1HAB . H . . N 0 . . . 0 no no . . . . 8.491 . -17.907 . -15.254 . -1.922 3.263 5.191 58 . 19214 CYC HAB2 HAB2 HAB2 2HAB . H . . N 0 . . . 0 no no . . . . 8.715 . -17.686 . -13.598 . -3.631 2.766 5.183 59 . 19214 CYC HBB1 HBB1 HBB1 1HBB . H . . N 0 . . . 0 no no . . . . 6.331 . -17.175 . -14.201 . -2.429 1.791 7.120 60 . 19214 CYC HBB2 HBB2 HBB2 2HBB . H . . N 0 . . . 0 no no . . . . 7.099 . -15.580 . -13.661 . -2.981 0.518 6.004 61 . 19214 CYC HBB3 HBB3 HBB3 3HBB . H . . N 0 . . . 0 no no . . . . 6.875 . -15.801 . -15.316 . -1.272 1.016 6.012 62 . 19214 CYC HC HC HC 'H C' . H . . N 0 . . . 1 no no . . . . 21.030 . -13.701 . -20.549 . 0.808 -1.725 1.532 63 . 19214 CYC H2C H2C H2C H2C . H . . N 0 . . . 1 no no . . . . 21.929 . -17.608 . -21.522 . 1.694 -2.298 5.325 64 . 19214 CYC H3C H3C H3C H3C . H . . N 0 . . . 1 no no . . . . 19.043 . -17.143 . -21.142 . 2.342 0.420 4.480 65 . 19214 CYC HMC1 HMC1 HMC1 1HMC . H . . N 0 . . . 0 no no . . . . 20.345 . -18.172 . -23.201 . -0.364 -1.240 6.108 66 . 19214 CYC HMC2 HMC2 HMC2 2HMC . H . . N 0 . . . 0 no no . . . . 19.816 . -16.406 . -23.448 . 0.970 -0.093 6.376 67 . 19214 CYC HMC3 HMC3 HMC3 3HMC . H . . N 0 . . . 0 no no . . . . 21.371 . -16.800 . -23.927 . -0.133 0.130 4.997 68 . 19214 CYC HAC1 HAC1 HAC1 1HAC . H . . N 0 . . . 0 no no . . . . 21.140 . -17.968 . -19.054 . 4.580 -0.633 4.046 69 . 19214 CYC HAC2 HAC2 HAC2 2HAC . H . . N 0 . . . 0 no no . . . . 19.483 . -17.930 . -18.750 . 3.842 -2.239 4.255 70 . 19214 CYC HBC1 HBC1 HBC1 1HBC . H . . N 0 . . . 0 no no . . . . 20.133 . -20.222 . -19.586 . 4.921 -1.527 6.352 71 . 19214 CYC HBC2 HBC2 HBC2 2HBC . H . . N 0 . . . 0 no no . . . . 19.054 . -19.469 . -20.889 . 3.966 -0.026 6.353 72 . 19214 CYC HBC3 HBC3 HBC3 3HBC . H . . N 0 . . . 0 no no . . . . 20.711 . -19.508 . -21.193 . 3.156 -1.596 6.568 73 . 19214 CYC HHD HHD HHD HHD . H . . N 0 . . . 1 no no . . . . 18.071 . -15.838 . -19.068 . 3.895 0.371 1.993 74 . 19214 CYC HD HD HD 'H D' . H . . N 0 . . . 1 no no . . . . 16.424 . -14.201 . -18.274 . 0.551 -0.636 0.447 75 . 19214 CYC HMD1 HMD1 HMD1 1HMD . H . . N 0 . . . 0 no no . . . . 21.415 . -11.515 . -18.436 . 5.024 1.438 -0.658 76 . 19214 CYC HMD2 HMD2 HMD2 2HMD . H . . N 0 . . . 0 no no . . . . 21.294 . -13.250 . -18.129 . 5.332 -0.091 0.196 77 . 19214 CYC HMD3 HMD3 HMD3 3HMD . H . . N 0 . . . 0 no no . . . . 20.933 . -12.615 . -19.731 . 5.382 -0.040 -1.581 78 . 19214 CYC HAD1 HAD1 HAD1 1HAD . H . . N 0 . . . 0 no no . . . . 18.231 . -10.032 . -16.539 . 4.198 -0.257 -3.359 79 . 19214 CYC HAD2 HAD2 HAD2 2HAD . H . . N 0 . . . 0 no no . . . . 19.866 . -10.477 . -16.779 . 2.558 -0.602 -3.959 80 . 19214 CYC HBD1 HBD1 HBD1 1HBD . H . . N 0 . . . 0 no no . . . . 19.664 . -9.553 . -19.286 . 1.957 1.788 -3.690 81 . 19214 CYC HBD2 HBD2 HBD2 2HBD . H . . N 0 . . . 0 no no . . . . 18.113 . -9.007 . -18.924 . 3.596 2.133 -3.090 82 . 19214 CYC H2D H2D H2D H2D . H . . N 0 . . . 1 no no . . . . 20.197 . -7.203 . -16.007 . 3.774 2.933 -6.674 83 . 19214 CYC 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 . DOUB CHA C1A no Z 1 . 19214 CYC 2 . SING CHA C4D no N 2 . 19214 CYC 3 . SING CHA HHA no N 3 . 19214 CYC 4 . SING NA C1A no N 4 . 19214 CYC 5 . DOUB NA C4A no N 5 . 19214 CYC 6 . SING C1A C2A no N 6 . 19214 CYC 7 . DOUB C2A C3A no N 7 . 19214 CYC 8 . SING C2A CAA no N 8 . 19214 CYC 9 . SING C3A C4A no N 9 . 19214 CYC 10 . SING C3A CMA no N 10 . 19214 CYC 11 . SING C4A CHB no N 11 . 19214 CYC 12 . SING CMA HMA1 no N 12 . 19214 CYC 13 . SING CMA HMA2 no N 13 . 19214 CYC 14 . SING CMA HMA3 no N 14 . 19214 CYC 15 . SING CAA CBA no N 15 . 19214 CYC 16 . SING CAA HAA1 no N 16 . 19214 CYC 17 . SING CAA HAA2 no N 17 . 19214 CYC 18 . SING CBA CGA no N 18 . 19214 CYC 19 . SING CBA HBA1 no N 19 . 19214 CYC 20 . SING CBA HBA2 no N 20 . 19214 CYC 21 . DOUB CGA O1A no N 21 . 19214 CYC 22 . SING CGA O2A no N 22 . 19214 CYC 23 . SING O2A H2A no N 23 . 19214 CYC 24 . DOUB CHB C1B no Z 24 . 19214 CYC 25 . SING CHB HHB no N 25 . 19214 CYC 26 . SING NB C1B no N 26 . 19214 CYC 27 . SING NB C4B no N 27 . 19214 CYC 28 . SING NB HB no N 28 . 19214 CYC 29 . SING C1B C2B no N 29 . 19214 CYC 30 . DOUB C2B C3B no N 30 . 19214 CYC 31 . SING C2B CMB no N 31 . 19214 CYC 32 . SING C3B C4B no N 32 . 19214 CYC 33 . SING C3B CAB no N 33 . 19214 CYC 34 . DOUB C4B OB no N 34 . 19214 CYC 35 . SING CMB HMB1 no N 35 . 19214 CYC 36 . SING CMB HMB2 no N 36 . 19214 CYC 37 . SING CMB HMB3 no N 37 . 19214 CYC 38 . SING CAB CBB no N 38 . 19214 CYC 39 . SING CAB HAB1 no N 39 . 19214 CYC 40 . SING CAB HAB2 no N 40 . 19214 CYC 41 . SING CBB HBB1 no N 41 . 19214 CYC 42 . SING CBB HBB2 no N 42 . 19214 CYC 43 . SING CBB HBB3 no N 43 . 19214 CYC 44 . SING NC C1C no N 44 . 19214 CYC 45 . SING NC C4C no N 45 . 19214 CYC 46 . SING NC HC no N 46 . 19214 CYC 47 . SING C1C C2C no N 47 . 19214 CYC 48 . DOUB C1C OC no N 48 . 19214 CYC 49 . SING C2C C3C no N 49 . 19214 CYC 50 . SING C2C CMC no N 50 . 19214 CYC 51 . SING C2C H2C no N 51 . 19214 CYC 52 . SING C3C C4C no N 52 . 19214 CYC 53 . SING C3C CAC no N 53 . 19214 CYC 54 . SING C3C H3C no N 54 . 19214 CYC 55 . DOUB C4C CHD no Z 55 . 19214 CYC 56 . SING CMC HMC1 no N 56 . 19214 CYC 57 . SING CMC HMC2 no N 57 . 19214 CYC 58 . SING CMC HMC3 no N 58 . 19214 CYC 59 . SING CAC CBC no N 59 . 19214 CYC 60 . SING CAC HAC1 no N 60 . 19214 CYC 61 . SING CAC HAC2 no N 61 . 19214 CYC 62 . SING CBC HBC1 no N 62 . 19214 CYC 63 . SING CBC HBC2 no N 63 . 19214 CYC 64 . SING CBC HBC3 no N 64 . 19214 CYC 65 . SING CHD C1D no N 65 . 19214 CYC 66 . SING CHD HHD no N 66 . 19214 CYC 67 . SING ND C1D yes N 67 . 19214 CYC 68 . SING ND C4D yes N 68 . 19214 CYC 69 . SING ND HD no N 69 . 19214 CYC 70 . DOUB C1D C2D yes N 70 . 19214 CYC 71 . SING C2D C3D yes N 71 . 19214 CYC 72 . SING C2D CMD no N 72 . 19214 CYC 73 . DOUB C3D C4D yes N 73 . 19214 CYC 74 . SING C3D CAD no N 74 . 19214 CYC 75 . SING CMD HMD1 no N 75 . 19214 CYC 76 . SING CMD HMD2 no N 76 . 19214 CYC 77 . SING CMD HMD3 no N 77 . 19214 CYC 78 . SING CAD CBD no N 78 . 19214 CYC 79 . SING CAD HAD1 no N 79 . 19214 CYC 80 . SING CAD HAD2 no N 80 . 19214 CYC 81 . SING CBD CGD no N 81 . 19214 CYC 82 . SING CBD HBD1 no N 82 . 19214 CYC 83 . SING CBD HBD2 no N 83 . 19214 CYC 84 . DOUB CGD O1D no N 84 . 19214 CYC 85 . SING CGD O2D no N 85 . 19214 CYC 86 . SING O2D H2D no N 86 . 19214 CYC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19214 _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 Pg' _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 $entity_1 . . 0.7-1.3 . . mM 0.1 . . . 19214 1 2 PHYCOVIOLOBILIN 'natural abundance' . . 2 $entity_CYC . . 0.7-1.3 . . mM 0.2 . . . 19214 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19214 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19214 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 19214 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'in Pg' 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 19214 1 pH 8 . pH 19214 1 pressure 1 . atm 19214 1 temperature 273 . K 19214 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19214 _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' . . 19214 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19214 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 19214 _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 . . 19214 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19214 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19214 _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' . . 19214 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19214 3 'structure solution' 19214 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 19214 _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 19214 _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 19214 _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 19214 _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 19214 _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 . . . 19214 1 2 spectrometer_2 Varian INOVA . 800 . . . 19214 1 3 spectrometer_3 Varian INOVA . 600 . . . 19214 1 4 spectrometer_4 Bruker Avance . 700 . . . 19214 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 19214 _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 . . . . . . . . . . . . . . . . 19214 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19214 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19214 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19214 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19214 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19214 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19214 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19214 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 19214 _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 . . . . . . . . . 19214 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19214 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19214 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 19214 _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' . . . 19214 1 3 '3D HNCACB' . . . 19214 1 4 '3D HCCH-TOCSY' . . . 19214 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 3 3 ALA HA H 1 4.315 0.04 . 1 . . . A 431 ALA HA . 19214 1 2 . 1 1 3 3 ALA HB1 H 1 1.326 0.04 . 1 . . . A 431 ALA HB1 . 19214 1 3 . 1 1 3 3 ALA HB2 H 1 1.326 0.04 . 1 . . . A 431 ALA HB2 . 19214 1 4 . 1 1 3 3 ALA HB3 H 1 1.326 0.04 . 1 . . . A 431 ALA HB3 . 19214 1 5 . 1 1 3 3 ALA C C 13 177.643 0.25 . 1 . . . A 431 ALA C . 19214 1 6 . 1 1 3 3 ALA CA C 13 52.380 0.25 . 1 . . . A 431 ALA CA . 19214 1 7 . 1 1 3 3 ALA CB C 13 19.190 0.25 . 1 . . . A 431 ALA CB . 19214 1 8 . 1 1 4 4 VAL H H 1 8.178 0.04 . 1 . . . A 432 VAL H . 19214 1 9 . 1 1 4 4 VAL HA H 1 4.019 0.04 . 1 . . . A 432 VAL HA . 19214 1 10 . 1 1 4 4 VAL HB H 1 1.933 0.04 . 1 . . . A 432 VAL HB . 19214 1 11 . 1 1 4 4 VAL HG11 H 1 0.864 0.04 . 1 . . . A 432 VAL HG11 . 19214 1 12 . 1 1 4 4 VAL HG12 H 1 0.864 0.04 . 1 . . . A 432 VAL HG12 . 19214 1 13 . 1 1 4 4 VAL HG13 H 1 0.864 0.04 . 1 . . . A 432 VAL HG13 . 19214 1 14 . 1 1 4 4 VAL HG21 H 1 0.894 0.04 . 1 . . . A 432 VAL HG21 . 19214 1 15 . 1 1 4 4 VAL HG22 H 1 0.894 0.04 . 1 . . . A 432 VAL HG22 . 19214 1 16 . 1 1 4 4 VAL HG23 H 1 0.894 0.04 . 1 . . . A 432 VAL HG23 . 19214 1 17 . 1 1 4 4 VAL C C 13 175.763 0.25 . 1 . . . A 432 VAL C . 19214 1 18 . 1 1 4 4 VAL CA C 13 62.234 0.25 . 1 . . . A 432 VAL CA . 19214 1 19 . 1 1 4 4 VAL CB C 13 33.009 0.25 . 1 . . . A 432 VAL CB . 19214 1 20 . 1 1 4 4 VAL CG1 C 13 21.065 0.25 . 1 . . . A 432 VAL CG1 . 19214 1 21 . 1 1 4 4 VAL N N 15 120.312 0.25 . 1 . . . A 432 VAL N . 19214 1 22 . 1 1 5 5 GLN H H 1 8.502 0.04 . 1 . . . A 433 GLN H . 19214 1 23 . 1 1 5 5 GLN CB C 13 29.519 0.25 . 1 . . . A 433 GLN CB . 19214 1 24 . 1 1 5 5 GLN N N 15 124.379 0.25 . 1 . . . A 433 GLN N . 19214 1 25 . 1 1 7 7 SER HA H 1 4.069 0.04 . 1 . . . A 435 SER HA . 19214 1 26 . 1 1 7 7 SER HB2 H 1 3.770 0.04 . 1 . . . A 435 SER HB2 . 19214 1 27 . 1 1 7 7 SER HB3 H 1 3.928 0.04 . 1 . . . A 435 SER HB3 . 19214 1 28 . 1 1 7 7 SER C C 13 178.994 0.25 . 1 . . . A 435 SER C . 19214 1 29 . 1 1 7 7 SER CA C 13 60.511 0.25 . 1 . . . A 435 SER CA . 19214 1 30 . 1 1 7 7 SER CB C 13 62.860 0.25 . 1 . . . A 435 SER CB . 19214 1 31 . 1 1 8 8 GLU H H 1 7.805 0.04 . 1 . . . A 436 GLU H . 19214 1 32 . 1 1 8 8 GLU HA H 1 4.293 0.04 . 1 . . . A 436 GLU HA . 19214 1 33 . 1 1 8 8 GLU HB2 H 1 1.949 0.04 . 1 . . . A 436 GLU HB2 . 19214 1 34 . 1 1 8 8 GLU HB3 H 1 2.151 0.04 . 1 . . . A 436 GLU HB3 . 19214 1 35 . 1 1 8 8 GLU HG3 H 1 2.171 0.04 . 1 . . . A 436 GLU HG3 . 19214 1 36 . 1 1 8 8 GLU C C 13 176.644 0.25 . 1 . . . A 436 GLU C . 19214 1 37 . 1 1 8 8 GLU CA C 13 56.016 0.25 . 1 . . . A 436 GLU CA . 19214 1 38 . 1 1 8 8 GLU CB C 13 30.335 0.25 . 1 . . . A 436 GLU CB . 19214 1 39 . 1 1 8 8 GLU CG C 13 36.745 0.25 . 1 . . . A 436 GLU CG . 19214 1 40 . 1 1 8 8 GLU N N 15 119.753 0.25 . 1 . . . A 436 GLU N . 19214 1 41 . 1 1 9 9 LEU H H 1 7.352 0.04 . 1 . . . A 437 LEU H . 19214 1 42 . 1 1 9 9 LEU HA H 1 4.150 0.04 . 1 . . . A 437 LEU HA . 19214 1 43 . 1 1 9 9 LEU HB2 H 1 1.120 0.04 . 1 . . . A 437 LEU HB2 . 19214 1 44 . 1 1 9 9 LEU HD11 H 1 0.750 0.04 . 1 . . . A 437 LEU HD11 . 19214 1 45 . 1 1 9 9 LEU HD12 H 1 0.750 0.04 . 1 . . . A 437 LEU HD12 . 19214 1 46 . 1 1 9 9 LEU HD13 H 1 0.750 0.04 . 1 . . . A 437 LEU HD13 . 19214 1 47 . 1 1 9 9 LEU HD21 H 1 0.730 0.04 . 1 . . . A 437 LEU HD21 . 19214 1 48 . 1 1 9 9 LEU HD22 H 1 0.730 0.04 . 1 . . . A 437 LEU HD22 . 19214 1 49 . 1 1 9 9 LEU HD23 H 1 0.730 0.04 . 1 . . . A 437 LEU HD23 . 19214 1 50 . 1 1 9 9 LEU CA C 13 55.497 0.25 . 1 . . . A 437 LEU CA . 19214 1 51 . 1 1 9 9 LEU CB C 13 43.460 0.25 . 1 . . . A 437 LEU CB . 19214 1 52 . 1 1 9 9 LEU CD1 C 13 24.900 0.25 . 1 . . . A 437 LEU CD1 . 19214 1 53 . 1 1 9 9 LEU CD2 C 13 23.300 0.25 . 1 . . . A 437 LEU CD2 . 19214 1 54 . 1 1 9 9 LEU N N 15 120.618 0.25 . 1 . . . A 437 LEU N . 19214 1 55 . 1 1 12 12 ARG HA H 1 3.240 0.04 . 1 . . . A 440 ARG HA . 19214 1 56 . 1 1 12 12 ARG HB2 H 1 1.440 0.04 . 1 . . . A 440 ARG HB2 . 19214 1 57 . 1 1 12 12 ARG HB3 H 1 1.515 0.04 . 1 . . . A 440 ARG HB3 . 19214 1 58 . 1 1 12 12 ARG HG2 H 1 1.096 0.04 . 1 . . . A 440 ARG HG2 . 19214 1 59 . 1 1 12 12 ARG HG3 H 1 1.341 0.04 . 1 . . . A 440 ARG HG3 . 19214 1 60 . 1 1 12 12 ARG HD3 H 1 3.140 0.04 . 1 . . . A 440 ARG HD3 . 19214 1 61 . 1 1 12 12 ARG HE H 1 7.470 0.04 . 1 . . . A 440 ARG HE . 19214 1 62 . 1 1 12 12 ARG C C 13 175.895 0.25 . 1 . . . A 440 ARG C . 19214 1 63 . 1 1 12 12 ARG CA C 13 60.040 0.25 . 1 . . . A 440 ARG CA . 19214 1 64 . 1 1 12 12 ARG CB C 13 30.218 0.25 . 1 . . . A 440 ARG CB . 19214 1 65 . 1 1 12 12 ARG CG C 13 28.303 0.25 . 1 . . . A 440 ARG CG . 19214 1 66 . 1 1 12 12 ARG CD C 13 43.618 0.25 . 1 . . . A 440 ARG CD . 19214 1 67 . 1 1 13 13 GLN H H 1 8.075 0.04 . 1 . . . A 441 GLN H . 19214 1 68 . 1 1 13 13 GLN HA H 1 3.894 0.04 . 1 . . . A 441 GLN HA . 19214 1 69 . 1 1 13 13 GLN HB2 H 1 2.024 0.04 . 1 . . . A 441 GLN HB2 . 19214 1 70 . 1 1 13 13 GLN HB3 H 1 2.200 0.04 . 1 . . . A 441 GLN HB3 . 19214 1 71 . 1 1 13 13 GLN HG3 H 1 2.463 0.04 . 1 . . . A 441 GLN HG3 . 19214 1 72 . 1 1 13 13 GLN HE21 H 1 8.080 0.04 . 1 . . . A 441 GLN HE21 . 19214 1 73 . 1 1 13 13 GLN HE22 H 1 7.170 0.04 . 1 . . . A 441 GLN HE22 . 19214 1 74 . 1 1 13 13 GLN C C 13 177.959 0.25 . 1 . . . A 441 GLN C . 19214 1 75 . 1 1 13 13 GLN CA C 13 58.904 0.25 . 1 . . . A 441 GLN CA . 19214 1 76 . 1 1 13 13 GLN CB C 13 27.387 0.25 . 1 . . . A 441 GLN CB . 19214 1 77 . 1 1 13 13 GLN CG C 13 33.076 0.25 . 1 . . . A 441 GLN CG . 19214 1 78 . 1 1 13 13 GLN N N 15 117.761 0.25 . 1 . . . A 441 GLN N . 19214 1 79 . 1 1 13 13 GLN NE2 N 15 111.900 0.25 . 1 . . . A 441 GLN NE2 . 19214 1 80 . 1 1 14 14 ALA H H 1 7.859 0.04 . 1 . . . A 442 ALA H . 19214 1 81 . 1 1 14 14 ALA HA H 1 4.142 0.04 . 1 . . . A 442 ALA HA . 19214 1 82 . 1 1 14 14 ALA HB1 H 1 1.494 0.04 . 1 . . . A 442 ALA HB1 . 19214 1 83 . 1 1 14 14 ALA HB2 H 1 1.494 0.04 . 1 . . . A 442 ALA HB2 . 19214 1 84 . 1 1 14 14 ALA HB3 H 1 1.494 0.04 . 1 . . . A 442 ALA HB3 . 19214 1 85 . 1 1 14 14 ALA C C 13 181.535 0.25 . 1 . . . A 442 ALA C . 19214 1 86 . 1 1 14 14 ALA CA C 13 54.843 0.25 . 1 . . . A 442 ALA CA . 19214 1 87 . 1 1 14 14 ALA CB C 13 18.746 0.25 . 1 . . . A 442 ALA CB . 19214 1 88 . 1 1 14 14 ALA N N 15 120.325 0.25 . 1 . . . A 442 ALA N . 19214 1 89 . 1 1 15 15 ILE H H 1 7.668 0.04 . 1 . . . A 443 ILE H . 19214 1 90 . 1 1 15 15 ILE HA H 1 3.412 0.04 . 1 . . . A 443 ILE HA . 19214 1 91 . 1 1 15 15 ILE HB H 1 1.726 0.04 . 1 . . . A 443 ILE HB . 19214 1 92 . 1 1 15 15 ILE HG12 H 1 0.820 0.04 . 1 . . . A 443 ILE HG12 . 19214 1 93 . 1 1 15 15 ILE HG13 H 1 1.530 0.04 . 1 . . . A 443 ILE HG13 . 19214 1 94 . 1 1 15 15 ILE HG21 H 1 0.567 0.04 . 1 . . . A 443 ILE HG21 . 19214 1 95 . 1 1 15 15 ILE HG22 H 1 0.567 0.04 . 1 . . . A 443 ILE HG22 . 19214 1 96 . 1 1 15 15 ILE HG23 H 1 0.567 0.04 . 1 . . . A 443 ILE HG23 . 19214 1 97 . 1 1 15 15 ILE HD11 H 1 0.470 0.04 . 1 . . . A 443 ILE HD11 . 19214 1 98 . 1 1 15 15 ILE HD12 H 1 0.470 0.04 . 1 . . . A 443 ILE HD12 . 19214 1 99 . 1 1 15 15 ILE HD13 H 1 0.470 0.04 . 1 . . . A 443 ILE HD13 . 19214 1 100 . 1 1 15 15 ILE C C 13 177.554 0.25 . 1 . . . A 443 ILE C . 19214 1 101 . 1 1 15 15 ILE CA C 13 65.839 0.25 . 1 . . . A 443 ILE CA . 19214 1 102 . 1 1 15 15 ILE CB C 13 37.236 0.25 . 1 . . . A 443 ILE CB . 19214 1 103 . 1 1 15 15 ILE CG1 C 13 30.500 0.25 . 1 . . . A 443 ILE CG1 . 19214 1 104 . 1 1 15 15 ILE CG2 C 13 16.403 0.25 . 1 . . . A 443 ILE CG2 . 19214 1 105 . 1 1 15 15 ILE CD1 C 13 14.600 0.25 . 1 . . . A 443 ILE CD1 . 19214 1 106 . 1 1 15 15 ILE N N 15 120.878 0.25 . 1 . . . A 443 ILE N . 19214 1 107 . 1 1 16 16 PHE H H 1 8.128 0.04 . 1 . . . A 444 PHE H . 19214 1 108 . 1 1 16 16 PHE HA H 1 4.364 0.04 . 1 . . . A 444 PHE HA . 19214 1 109 . 1 1 16 16 PHE HB2 H 1 2.938 0.04 . 1 . . . A 444 PHE HB2 . 19214 1 110 . 1 1 16 16 PHE HB3 H 1 3.215 0.04 . 1 . . . A 444 PHE HB3 . 19214 1 111 . 1 1 16 16 PHE HD2 H 1 6.970 0.04 . 1 . . . A 444 PHE HD2 . 19214 1 112 . 1 1 16 16 PHE HE2 H 1 7.160 0.04 . 1 . . . A 444 PHE HE2 . 19214 1 113 . 1 1 16 16 PHE C C 13 178.054 0.25 . 1 . . . A 444 PHE C . 19214 1 114 . 1 1 16 16 PHE CA C 13 58.952 0.25 . 1 . . . A 444 PHE CA . 19214 1 115 . 1 1 16 16 PHE CB C 13 37.948 0.25 . 1 . . . A 444 PHE CB . 19214 1 116 . 1 1 16 16 PHE CD2 C 13 130.200 0.25 . 1 . . . A 444 PHE CD2 . 19214 1 117 . 1 1 16 16 PHE N N 15 119.157 0.25 . 1 . . . A 444 PHE N . 19214 1 118 . 1 1 17 17 GLU H H 1 8.711 0.04 . 1 . . . A 445 GLU H . 19214 1 119 . 1 1 17 17 GLU HA H 1 3.985 0.04 . 1 . . . A 445 GLU HA . 19214 1 120 . 1 1 17 17 GLU HB3 H 1 2.104 0.04 . 1 . . . A 445 GLU HB3 . 19214 1 121 . 1 1 17 17 GLU HG2 H 1 2.507 0.04 . 1 . . . A 445 GLU HG2 . 19214 1 122 . 1 1 17 17 GLU HG3 H 1 2.593 0.04 . 1 . . . A 445 GLU HG3 . 19214 1 123 . 1 1 17 17 GLU C C 13 179.563 0.25 . 1 . . . A 445 GLU C . 19214 1 124 . 1 1 17 17 GLU CA C 13 59.156 0.25 . 1 . . . A 445 GLU CA . 19214 1 125 . 1 1 17 17 GLU CB C 13 29.177 0.25 . 1 . . . A 445 GLU CB . 19214 1 126 . 1 1 17 17 GLU CG C 13 36.709 0.25 . 1 . . . A 445 GLU CG . 19214 1 127 . 1 1 17 17 GLU N N 15 116.382 0.25 . 1 . . . A 445 GLU N . 19214 1 128 . 1 1 18 18 THR H H 1 8.105 0.04 . 1 . . . A 446 THR H . 19214 1 129 . 1 1 18 18 THR HA H 1 4.066 0.04 . 1 . . . A 446 THR HA . 19214 1 130 . 1 1 18 18 THR HB H 1 4.142 0.04 . 1 . . . A 446 THR HB . 19214 1 131 . 1 1 18 18 THR HG21 H 1 1.136 0.04 . 1 . . . A 446 THR HG21 . 19214 1 132 . 1 1 18 18 THR HG22 H 1 1.136 0.04 . 1 . . . A 446 THR HG22 . 19214 1 133 . 1 1 18 18 THR HG23 H 1 1.136 0.04 . 1 . . . A 446 THR HG23 . 19214 1 134 . 1 1 18 18 THR C C 13 175.861 0.25 . 1 . . . A 446 THR C . 19214 1 135 . 1 1 18 18 THR CA C 13 67.041 0.25 . 1 . . . A 446 THR CA . 19214 1 136 . 1 1 18 18 THR CB C 13 68.218 0.25 . 1 . . . A 446 THR CB . 19214 1 137 . 1 1 18 18 THR CG2 C 13 21.503 0.25 . 1 . . . A 446 THR CG2 . 19214 1 138 . 1 1 18 18 THR N N 15 118.118 0.25 . 1 . . . A 446 THR N . 19214 1 139 . 1 1 19 19 LEU H H 1 8.552 0.04 . 1 . . . A 447 LEU H . 19214 1 140 . 1 1 19 19 LEU HA H 1 3.852 0.04 . 1 . . . A 447 LEU HA . 19214 1 141 . 1 1 19 19 LEU HB2 H 1 1.254 0.04 . 1 . . . A 447 LEU HB2 . 19214 1 142 . 1 1 19 19 LEU HB3 H 1 1.984 0.04 . 1 . . . A 447 LEU HB3 . 19214 1 143 . 1 1 19 19 LEU HG H 1 1.780 0.04 . 1 . . . A 447 LEU HG . 19214 1 144 . 1 1 19 19 LEU HD11 H 1 0.800 0.04 . 1 . . . A 447 LEU HD11 . 19214 1 145 . 1 1 19 19 LEU HD12 H 1 0.800 0.04 . 1 . . . A 447 LEU HD12 . 19214 1 146 . 1 1 19 19 LEU HD13 H 1 0.800 0.04 . 1 . . . A 447 LEU HD13 . 19214 1 147 . 1 1 19 19 LEU HD21 H 1 0.708 0.04 . 1 . . . A 447 LEU HD21 . 19214 1 148 . 1 1 19 19 LEU HD22 H 1 0.708 0.04 . 1 . . . A 447 LEU HD22 . 19214 1 149 . 1 1 19 19 LEU HD23 H 1 0.708 0.04 . 1 . . . A 447 LEU HD23 . 19214 1 150 . 1 1 19 19 LEU C C 13 179.512 0.25 . 1 . . . A 447 LEU C . 19214 1 151 . 1 1 19 19 LEU CA C 13 58.956 0.25 . 1 . . . A 447 LEU CA . 19214 1 152 . 1 1 19 19 LEU CB C 13 42.493 0.25 . 1 . . . A 447 LEU CB . 19214 1 153 . 1 1 19 19 LEU CG C 13 26.600 0.25 . 1 . . . A 447 LEU CG . 19214 1 154 . 1 1 19 19 LEU CD1 C 13 24.606 0.25 . 1 . . . A 447 LEU CD1 . 19214 1 155 . 1 1 19 19 LEU CD2 C 13 24.300 0.25 . 1 . . . A 447 LEU CD2 . 19214 1 156 . 1 1 19 19 LEU N N 15 121.874 0.25 . 1 . . . A 447 LEU N . 19214 1 157 . 1 1 20 20 VAL H H 1 7.695 0.04 . 1 . . . A 448 VAL H . 19214 1 158 . 1 1 20 20 VAL HA H 1 4.039 0.04 . 1 . . . A 448 VAL HA . 19214 1 159 . 1 1 20 20 VAL HB H 1 1.980 0.04 . 1 . . . A 448 VAL HB . 19214 1 160 . 1 1 20 20 VAL HG11 H 1 1.015 0.04 . 1 . . . A 448 VAL HG11 . 19214 1 161 . 1 1 20 20 VAL HG12 H 1 1.015 0.04 . 1 . . . A 448 VAL HG12 . 19214 1 162 . 1 1 20 20 VAL HG13 H 1 1.015 0.04 . 1 . . . A 448 VAL HG13 . 19214 1 163 . 1 1 20 20 VAL HG21 H 1 0.816 0.04 . 1 . . . A 448 VAL HG21 . 19214 1 164 . 1 1 20 20 VAL HG22 H 1 0.816 0.04 . 1 . . . A 448 VAL HG22 . 19214 1 165 . 1 1 20 20 VAL HG23 H 1 0.816 0.04 . 1 . . . A 448 VAL HG23 . 19214 1 166 . 1 1 20 20 VAL C C 13 177.323 0.25 . 1 . . . A 448 VAL C . 19214 1 167 . 1 1 20 20 VAL CA C 13 64.562 0.25 . 1 . . . A 448 VAL CA . 19214 1 168 . 1 1 20 20 VAL CB C 13 30.055 0.25 . 1 . . . A 448 VAL CB . 19214 1 169 . 1 1 20 20 VAL CG1 C 13 20.244 0.25 . 1 . . . A 448 VAL CG1 . 19214 1 170 . 1 1 20 20 VAL CG2 C 13 24.557 0.25 . 1 . . . A 448 VAL CG2 . 19214 1 171 . 1 1 20 20 VAL N N 15 108.313 0.25 . 1 . . . A 448 VAL N . 19214 1 172 . 1 1 21 21 ALA H H 1 7.421 0.04 . 1 . . . A 449 ALA H . 19214 1 173 . 1 1 21 21 ALA HA H 1 4.246 0.04 . 1 . . . A 449 ALA HA . 19214 1 174 . 1 1 21 21 ALA HB1 H 1 1.579 0.04 . 1 . . . A 449 ALA HB1 . 19214 1 175 . 1 1 21 21 ALA HB2 H 1 1.579 0.04 . 1 . . . A 449 ALA HB2 . 19214 1 176 . 1 1 21 21 ALA HB3 H 1 1.579 0.04 . 1 . . . A 449 ALA HB3 . 19214 1 177 . 1 1 21 21 ALA C C 13 181.275 0.25 . 1 . . . A 449 ALA C . 19214 1 178 . 1 1 21 21 ALA CA C 13 55.054 0.25 . 1 . . . A 449 ALA CA . 19214 1 179 . 1 1 21 21 ALA CB C 13 18.528 0.25 . 1 . . . A 449 ALA CB . 19214 1 180 . 1 1 21 21 ALA N N 15 124.683 0.25 . 1 . . . A 449 ALA N . 19214 1 181 . 1 1 22 22 LYS H H 1 8.806 0.04 . 1 . . . A 450 LYS H . 19214 1 182 . 1 1 22 22 LYS HA H 1 4.170 0.04 . 1 . . . A 450 LYS HA . 19214 1 183 . 1 1 22 22 LYS HB2 H 1 1.839 0.04 . 1 . . . A 450 LYS HB2 . 19214 1 184 . 1 1 22 22 LYS HB3 H 1 1.996 0.04 . 1 . . . A 450 LYS HB3 . 19214 1 185 . 1 1 22 22 LYS HG3 H 1 1.603 0.04 . 1 . . . A 450 LYS HG3 . 19214 1 186 . 1 1 22 22 LYS HD2 H 1 2.860 0.04 . 1 . . . A 450 LYS HD2 . 19214 1 187 . 1 1 22 22 LYS HD3 H 1 2.940 0.04 . 1 . . . A 450 LYS HD3 . 19214 1 188 . 1 1 22 22 LYS C C 13 180.083 0.25 . 1 . . . A 450 LYS C . 19214 1 189 . 1 1 22 22 LYS CA C 13 58.219 0.25 . 1 . . . A 450 LYS CA . 19214 1 190 . 1 1 22 22 LYS CB C 13 31.697 0.25 . 1 . . . A 450 LYS CB . 19214 1 191 . 1 1 22 22 LYS CG C 13 25.300 0.25 . 1 . . . A 450 LYS CG . 19214 1 192 . 1 1 22 22 LYS CD C 13 41.900 0.25 . 1 . . . A 450 LYS CD . 19214 1 193 . 1 1 22 22 LYS N N 15 118.092 0.25 . 1 . . . A 450 LYS N . 19214 1 194 . 1 1 23 23 GLY H H 1 8.816 0.04 . 1 . . . A 451 GLY H . 19214 1 195 . 1 1 23 23 GLY HA2 H 1 3.645 0.04 . 1 . . . A 451 GLY HA2 . 19214 1 196 . 1 1 23 23 GLY HA3 H 1 3.783 0.04 . 1 . . . A 451 GLY HA3 . 19214 1 197 . 1 1 23 23 GLY C C 13 173.724 0.25 . 1 . . . A 451 GLY C . 19214 1 198 . 1 1 23 23 GLY CA C 13 47.965 0.25 . 1 . . . A 451 GLY CA . 19214 1 199 . 1 1 23 23 GLY N N 15 108.217 0.25 . 1 . . . A 451 GLY N . 19214 1 200 . 1 1 24 24 ARG H H 1 8.190 0.04 . 1 . . . A 452 ARG H . 19214 1 201 . 1 1 24 24 ARG HA H 1 4.100 0.04 . 1 . . . A 452 ARG HA . 19214 1 202 . 1 1 24 24 ARG HB2 H 1 1.560 0.04 . 1 . . . A 452 ARG HB2 . 19214 1 203 . 1 1 24 24 ARG HB3 H 1 2.180 0.04 . 1 . . . A 452 ARG HB3 . 19214 1 204 . 1 1 24 24 ARG HD3 H 1 2.890 0.04 . 1 . . . A 452 ARG HD3 . 19214 1 205 . 1 1 24 24 ARG HE H 1 7.410 0.04 . 1 . . . A 452 ARG HE . 19214 1 206 . 1 1 24 24 ARG C C 13 178.908 0.25 . 1 . . . A 452 ARG C . 19214 1 207 . 1 1 24 24 ARG CA C 13 60.504 0.25 . 1 . . . A 452 ARG CA . 19214 1 208 . 1 1 24 24 ARG CB C 13 30.208 0.25 . 1 . . . A 452 ARG CB . 19214 1 209 . 1 1 24 24 ARG N N 15 122.310 0.25 . 1 . . . A 452 ARG N . 19214 1 210 . 1 1 24 24 ARG NE N 15 82.800 0.25 . 1 . . . A 452 ARG NE . 19214 1 211 . 1 1 25 25 GLU H H 1 7.872 0.04 . 1 . . . A 453 GLU H . 19214 1 212 . 1 1 25 25 GLU HA H 1 4.076 0.04 . 1 . . . A 453 GLU HA . 19214 1 213 . 1 1 25 25 GLU HB3 H 1 2.175 0.04 . 1 . . . A 453 GLU HB3 . 19214 1 214 . 1 1 25 25 GLU HG3 H 1 2.366 0.04 . 1 . . . A 453 GLU HG3 . 19214 1 215 . 1 1 25 25 GLU C C 13 178.638 0.25 . 1 . . . A 453 GLU C . 19214 1 216 . 1 1 25 25 GLU CA C 13 58.999 0.25 . 1 . . . A 453 GLU CA . 19214 1 217 . 1 1 25 25 GLU CB C 13 30.188 0.25 . 1 . . . A 453 GLU CB . 19214 1 218 . 1 1 25 25 GLU CG C 13 36.249 0.25 . 1 . . . A 453 GLU CG . 19214 1 219 . 1 1 25 25 GLU N N 15 119.749 0.25 . 1 . . . A 453 GLU N . 19214 1 220 . 1 1 26 26 LEU H H 1 8.275 0.04 . 1 . . . A 454 LEU H . 19214 1 221 . 1 1 26 26 LEU HA H 1 4.157 0.04 . 1 . . . A 454 LEU HA . 19214 1 222 . 1 1 26 26 LEU HB2 H 1 1.883 0.04 . 1 . . . A 454 LEU HB2 . 19214 1 223 . 1 1 26 26 LEU HB3 H 1 1.925 0.04 . 1 . . . A 454 LEU HB3 . 19214 1 224 . 1 1 26 26 LEU HG H 1 1.648 0.04 . 1 . . . A 454 LEU HG . 19214 1 225 . 1 1 26 26 LEU HD11 H 1 0.941 0.04 . 1 . . . A 454 LEU HD11 . 19214 1 226 . 1 1 26 26 LEU HD12 H 1 0.941 0.04 . 1 . . . A 454 LEU HD12 . 19214 1 227 . 1 1 26 26 LEU HD13 H 1 0.941 0.04 . 1 . . . A 454 LEU HD13 . 19214 1 228 . 1 1 26 26 LEU C C 13 178.446 0.25 . 1 . . . A 454 LEU C . 19214 1 229 . 1 1 26 26 LEU CA C 13 57.868 0.25 . 1 . . . A 454 LEU CA . 19214 1 230 . 1 1 26 26 LEU CB C 13 43.001 0.25 . 1 . . . A 454 LEU CB . 19214 1 231 . 1 1 26 26 LEU CG C 13 27.069 0.25 . 1 . . . A 454 LEU CG . 19214 1 232 . 1 1 26 26 LEU CD1 C 13 25.396 0.25 . 1 . . . A 454 LEU CD1 . 19214 1 233 . 1 1 26 26 LEU CD2 C 13 24.064 0.25 . 1 . . . A 454 LEU CD2 . 19214 1 234 . 1 1 26 26 LEU N N 15 119.235 0.25 . 1 . . . A 454 LEU N . 19214 1 235 . 1 1 27 27 LEU H H 1 7.393 0.04 . 1 . . . A 455 LEU H . 19214 1 236 . 1 1 27 27 LEU HA H 1 4.406 0.04 . 1 . . . A 455 LEU HA . 19214 1 237 . 1 1 27 27 LEU HB2 H 1 1.304 0.04 . 1 . . . A 455 LEU HB2 . 19214 1 238 . 1 1 27 27 LEU HB3 H 1 1.770 0.04 . 1 . . . A 455 LEU HB3 . 19214 1 239 . 1 1 27 27 LEU HG H 1 -0.148 0.04 . 1 . . . A 455 LEU HG . 19214 1 240 . 1 1 27 27 LEU HD11 H 1 0.610 0.04 . 1 . . . A 455 LEU HD11 . 19214 1 241 . 1 1 27 27 LEU HD12 H 1 0.610 0.04 . 1 . . . A 455 LEU HD12 . 19214 1 242 . 1 1 27 27 LEU HD13 H 1 0.610 0.04 . 1 . . . A 455 LEU HD13 . 19214 1 243 . 1 1 27 27 LEU C C 13 177.047 0.25 . 1 . . . A 455 LEU C . 19214 1 244 . 1 1 27 27 LEU CA C 13 54.730 0.25 . 1 . . . A 455 LEU CA . 19214 1 245 . 1 1 27 27 LEU CB C 13 43.848 0.25 . 1 . . . A 455 LEU CB . 19214 1 246 . 1 1 27 27 LEU CG C 13 26.904 0.25 . 1 . . . A 455 LEU CG . 19214 1 247 . 1 1 27 27 LEU CD1 C 13 22.515 0.25 . 1 . . . A 455 LEU CD1 . 19214 1 248 . 1 1 27 27 LEU N N 15 112.983 0.25 . 1 . . . A 455 LEU N . 19214 1 249 . 1 1 28 28 ALA H H 1 8.567 0.04 . 1 . . . A 456 ALA H . 19214 1 250 . 1 1 28 28 ALA HA H 1 4.239 0.04 . 1 . . . A 456 ALA HA . 19214 1 251 . 1 1 28 28 ALA HB1 H 1 1.453 0.04 . 1 . . . A 456 ALA HB1 . 19214 1 252 . 1 1 28 28 ALA HB2 H 1 1.453 0.04 . 1 . . . A 456 ALA HB2 . 19214 1 253 . 1 1 28 28 ALA HB3 H 1 1.453 0.04 . 1 . . . A 456 ALA HB3 . 19214 1 254 . 1 1 28 28 ALA C C 13 177.010 0.25 . 1 . . . A 456 ALA C . 19214 1 255 . 1 1 28 28 ALA CA C 13 52.955 0.25 . 1 . . . A 456 ALA CA . 19214 1 256 . 1 1 28 28 ALA CB C 13 16.479 0.25 . 1 . . . A 456 ALA CB . 19214 1 257 . 1 1 28 28 ALA N N 15 124.090 0.25 . 1 . . . A 456 ALA N . 19214 1 258 . 1 1 29 29 CYS H H 1 6.942 0.04 . 1 . . . A 457 CYS H . 19214 1 259 . 1 1 29 29 CYS HA H 1 5.658 0.04 . 1 . . . A 457 CYS HA . 19214 1 260 . 1 1 29 29 CYS HB2 H 1 2.521 0.04 . 1 . . . A 457 CYS HB2 . 19214 1 261 . 1 1 29 29 CYS HB3 H 1 3.712 0.04 . 1 . . . A 457 CYS HB3 . 19214 1 262 . 1 1 29 29 CYS C C 13 173.094 0.25 . 1 . . . A 457 CYS C . 19214 1 263 . 1 1 29 29 CYS CA C 13 54.770 0.25 . 1 . . . A 457 CYS CA . 19214 1 264 . 1 1 29 29 CYS CB C 13 29.803 0.25 . 1 . . . A 457 CYS CB . 19214 1 265 . 1 1 29 29 CYS N N 15 111.388 0.25 . 1 . . . A 457 CYS N . 19214 1 266 . 1 1 30 30 ASP H H 1 7.157 0.04 . 1 . . . A 458 ASP H . 19214 1 267 . 1 1 30 30 ASP HA H 1 4.808 0.04 . 1 . . . A 458 ASP HA . 19214 1 268 . 1 1 30 30 ASP HB2 H 1 1.830 0.04 . 1 . . . A 458 ASP HB2 . 19214 1 269 . 1 1 30 30 ASP HB3 H 1 2.039 0.04 . 1 . . . A 458 ASP HB3 . 19214 1 270 . 1 1 30 30 ASP C C 13 175.313 0.25 . 1 . . . A 458 ASP C . 19214 1 271 . 1 1 30 30 ASP CA C 13 57.780 0.25 . 1 . . . A 458 ASP CA . 19214 1 272 . 1 1 30 30 ASP CB C 13 42.699 0.25 . 1 . . . A 458 ASP CB . 19214 1 273 . 1 1 30 30 ASP N N 15 117.058 0.25 . 1 . . . A 458 ASP N . 19214 1 274 . 1 1 31 31 ARG H H 1 7.946 0.04 . 1 . . . A 459 ARG H . 19214 1 275 . 1 1 31 31 ARG HA H 1 5.396 0.04 . 1 . . . A 459 ARG HA . 19214 1 276 . 1 1 31 31 ARG HB3 H 1 1.861 0.04 . 1 . . . A 459 ARG HB3 . 19214 1 277 . 1 1 31 31 ARG HG3 H 1 1.310 0.04 . 1 . . . A 459 ARG HG3 . 19214 1 278 . 1 1 31 31 ARG HE H 1 6.350 0.04 . 1 . . . A 459 ARG HE . 19214 1 279 . 1 1 31 31 ARG C C 13 174.465 0.25 . 1 . . . A 459 ARG C . 19214 1 280 . 1 1 31 31 ARG CA C 13 55.628 0.25 . 1 . . . A 459 ARG CA . 19214 1 281 . 1 1 31 31 ARG CB C 13 35.127 0.25 . 1 . . . A 459 ARG CB . 19214 1 282 . 1 1 31 31 ARG CG C 13 29.997 0.25 . 1 . . . A 459 ARG CG . 19214 1 283 . 1 1 31 31 ARG N N 15 117.570 0.25 . 1 . . . A 459 ARG N . 19214 1 284 . 1 1 31 31 ARG NE N 15 83.200 0.25 . 1 . . . A 459 ARG NE . 19214 1 285 . 1 1 32 32 VAL H H 1 9.200 0.04 . 1 . . . A 460 VAL H . 19214 1 286 . 1 1 32 32 VAL HA H 1 5.410 0.04 . 1 . . . A 460 VAL HA . 19214 1 287 . 1 1 32 32 VAL HB H 1 2.020 0.04 . 1 . . . A 460 VAL HB . 19214 1 288 . 1 1 32 32 VAL HG11 H 1 1.092 0.04 . 1 . . . A 460 VAL HG11 . 19214 1 289 . 1 1 32 32 VAL HG12 H 1 1.092 0.04 . 1 . . . A 460 VAL HG12 . 19214 1 290 . 1 1 32 32 VAL HG13 H 1 1.092 0.04 . 1 . . . A 460 VAL HG13 . 19214 1 291 . 1 1 32 32 VAL HG21 H 1 0.751 0.04 . 1 . . . A 460 VAL HG21 . 19214 1 292 . 1 1 32 32 VAL HG22 H 1 0.751 0.04 . 1 . . . A 460 VAL HG22 . 19214 1 293 . 1 1 32 32 VAL HG23 H 1 0.751 0.04 . 1 . . . A 460 VAL HG23 . 19214 1 294 . 1 1 32 32 VAL C C 13 174.698 0.25 . 1 . . . A 460 VAL C . 19214 1 295 . 1 1 32 32 VAL CA C 13 61.229 0.25 . 1 . . . A 460 VAL CA . 19214 1 296 . 1 1 32 32 VAL CB C 13 35.335 0.25 . 1 . . . A 460 VAL CB . 19214 1 297 . 1 1 32 32 VAL CG1 C 13 23.113 0.25 . 1 . . . A 460 VAL CG1 . 19214 1 298 . 1 1 32 32 VAL CG2 C 13 23.300 0.25 . 1 . . . A 460 VAL CG2 . 19214 1 299 . 1 1 32 32 VAL N N 15 126.878 0.25 . 1 . . . A 460 VAL N . 19214 1 300 . 1 1 33 33 ILE H H 1 9.247 0.04 . 1 . . . A 461 ILE H . 19214 1 301 . 1 1 33 33 ILE HA H 1 5.198 0.04 . 1 . . . A 461 ILE HA . 19214 1 302 . 1 1 33 33 ILE HB H 1 1.836 0.04 . 1 . . . A 461 ILE HB . 19214 1 303 . 1 1 33 33 ILE HG12 H 1 0.710 0.04 . 1 . . . A 461 ILE HG12 . 19214 1 304 . 1 1 33 33 ILE HG13 H 1 1.190 0.04 . 1 . . . A 461 ILE HG13 . 19214 1 305 . 1 1 33 33 ILE HG21 H 1 0.771 0.04 . 1 . . . A 461 ILE HG21 . 19214 1 306 . 1 1 33 33 ILE HG22 H 1 0.771 0.04 . 1 . . . A 461 ILE HG22 . 19214 1 307 . 1 1 33 33 ILE HG23 H 1 0.771 0.04 . 1 . . . A 461 ILE HG23 . 19214 1 308 . 1 1 33 33 ILE HD11 H 1 0.540 0.04 . 1 . . . A 461 ILE HD11 . 19214 1 309 . 1 1 33 33 ILE HD12 H 1 0.540 0.04 . 1 . . . A 461 ILE HD12 . 19214 1 310 . 1 1 33 33 ILE HD13 H 1 0.540 0.04 . 1 . . . A 461 ILE HD13 . 19214 1 311 . 1 1 33 33 ILE C C 13 174.647 0.25 . 1 . . . A 461 ILE C . 19214 1 312 . 1 1 33 33 ILE CA C 13 59.112 0.25 . 1 . . . A 461 ILE CA . 19214 1 313 . 1 1 33 33 ILE CB C 13 42.959 0.25 . 1 . . . A 461 ILE CB . 19214 1 314 . 1 1 33 33 ILE CG1 C 13 26.800 0.25 . 1 . . . A 461 ILE CG1 . 19214 1 315 . 1 1 33 33 ILE CG2 C 13 18.100 0.25 . 1 . . . A 461 ILE CG2 . 19214 1 316 . 1 1 33 33 ILE CD1 C 13 14.200 0.25 . 1 . . . A 461 ILE CD1 . 19214 1 317 . 1 1 33 33 ILE N N 15 120.070 0.25 . 1 . . . A 461 ILE N . 19214 1 318 . 1 1 34 34 VAL H H 1 7.400 0.04 . 1 . . . A 462 VAL H . 19214 1 319 . 1 1 34 34 VAL HA H 1 4.668 0.04 . 1 . . . A 462 VAL HA . 19214 1 320 . 1 1 34 34 VAL HB H 1 1.320 0.04 . 1 . . . A 462 VAL HB . 19214 1 321 . 1 1 34 34 VAL HG11 H 1 0.776 0.04 . 1 . . . A 462 VAL HG11 . 19214 1 322 . 1 1 34 34 VAL HG12 H 1 0.776 0.04 . 1 . . . A 462 VAL HG12 . 19214 1 323 . 1 1 34 34 VAL HG13 H 1 0.776 0.04 . 1 . . . A 462 VAL HG13 . 19214 1 324 . 1 1 34 34 VAL HG21 H 1 0.265 0.04 . 1 . . . A 462 VAL HG21 . 19214 1 325 . 1 1 34 34 VAL HG22 H 1 0.265 0.04 . 1 . . . A 462 VAL HG22 . 19214 1 326 . 1 1 34 34 VAL HG23 H 1 0.265 0.04 . 1 . . . A 462 VAL HG23 . 19214 1 327 . 1 1 34 34 VAL C C 13 173.970 0.25 . 1 . . . A 462 VAL C . 19214 1 328 . 1 1 34 34 VAL CA C 13 61.528 0.25 . 1 . . . A 462 VAL CA . 19214 1 329 . 1 1 34 34 VAL CB C 13 33.865 0.25 . 1 . . . A 462 VAL CB . 19214 1 330 . 1 1 34 34 VAL CG1 C 13 22.300 0.25 . 1 . . . A 462 VAL CG1 . 19214 1 331 . 1 1 34 34 VAL CG2 C 13 21.000 0.25 . 1 . . . A 462 VAL CG2 . 19214 1 332 . 1 1 34 34 VAL N N 15 118.676 0.25 . 1 . . . A 462 VAL N . 19214 1 333 . 1 1 35 35 TYR H H 1 8.782 0.04 . 1 . . . A 463 TYR H . 19214 1 334 . 1 1 35 35 TYR HA H 1 4.937 0.04 . 1 . . . A 463 TYR HA . 19214 1 335 . 1 1 35 35 TYR HB2 H 1 2.152 0.04 . 1 . . . A 463 TYR HB2 . 19214 1 336 . 1 1 35 35 TYR HB3 H 1 2.697 0.04 . 1 . . . A 463 TYR HB3 . 19214 1 337 . 1 1 35 35 TYR HD2 H 1 6.310 0.04 . 1 . . . A 463 TYR HD2 . 19214 1 338 . 1 1 35 35 TYR HE2 H 1 6.530 0.04 . 1 . . . A 463 TYR HE2 . 19214 1 339 . 1 1 35 35 TYR C C 13 173.196 0.25 . 1 . . . A 463 TYR C . 19214 1 340 . 1 1 35 35 TYR CA C 13 55.589 0.25 . 1 . . . A 463 TYR CA . 19214 1 341 . 1 1 35 35 TYR CB C 13 41.849 0.25 . 1 . . . A 463 TYR CB . 19214 1 342 . 1 1 35 35 TYR CD2 C 13 132.100 0.25 . 1 . . . A 463 TYR CD2 . 19214 1 343 . 1 1 35 35 TYR CE2 C 13 117.700 0.25 . 1 . . . A 463 TYR CE2 . 19214 1 344 . 1 1 35 35 TYR N N 15 131.551 0.25 . 1 . . . A 463 TYR N . 19214 1 345 . 1 1 36 36 ALA H H 1 8.295 0.04 . 1 . . . A 464 ALA H . 19214 1 346 . 1 1 36 36 ALA HA H 1 4.418 0.04 . 1 . . . A 464 ALA HA . 19214 1 347 . 1 1 36 36 ALA HB1 H 1 0.774 0.04 . 1 . . . A 464 ALA HB1 . 19214 1 348 . 1 1 36 36 ALA HB2 H 1 0.774 0.04 . 1 . . . A 464 ALA HB2 . 19214 1 349 . 1 1 36 36 ALA HB3 H 1 0.774 0.04 . 1 . . . A 464 ALA HB3 . 19214 1 350 . 1 1 36 36 ALA C C 13 175.095 0.25 . 1 . . . A 464 ALA C . 19214 1 351 . 1 1 36 36 ALA CA C 13 50.422 0.25 . 1 . . . A 464 ALA CA . 19214 1 352 . 1 1 36 36 ALA CB C 13 22.676 0.25 . 1 . . . A 464 ALA CB . 19214 1 353 . 1 1 36 36 ALA N N 15 127.436 0.25 . 1 . . . A 464 ALA N . 19214 1 354 . 1 1 37 37 PHE H H 1 7.426 0.04 . 1 . . . A 465 PHE H . 19214 1 355 . 1 1 37 37 PHE HA H 1 4.434 0.04 . 1 . . . A 465 PHE HA . 19214 1 356 . 1 1 37 37 PHE HB2 H 1 2.266 0.04 . 1 . . . A 465 PHE HB2 . 19214 1 357 . 1 1 37 37 PHE HB3 H 1 2.550 0.04 . 1 . . . A 465 PHE HB3 . 19214 1 358 . 1 1 37 37 PHE HD2 H 1 6.860 0.04 . 1 . . . A 465 PHE HD2 . 19214 1 359 . 1 1 37 37 PHE HE2 H 1 7.180 0.04 . 1 . . . A 465 PHE HE2 . 19214 1 360 . 1 1 37 37 PHE C C 13 176.189 0.25 . 1 . . . A 465 PHE C . 19214 1 361 . 1 1 37 37 PHE CA C 13 56.771 0.25 . 1 . . . A 465 PHE CA . 19214 1 362 . 1 1 37 37 PHE CB C 13 42.082 0.25 . 1 . . . A 465 PHE CB . 19214 1 363 . 1 1 37 37 PHE N N 15 116.385 0.25 . 1 . . . A 465 PHE N . 19214 1 364 . 1 1 38 38 ASP H H 1 8.012 0.04 . 1 . . . A 466 ASP H . 19214 1 365 . 1 1 38 38 ASP HA H 1 4.765 0.04 . 1 . . . A 466 ASP HA . 19214 1 366 . 1 1 38 38 ASP HB3 H 1 3.256 0.04 . 1 . . . A 466 ASP HB3 . 19214 1 367 . 1 1 38 38 ASP C C 13 178.212 0.25 . 1 . . . A 466 ASP C . 19214 1 368 . 1 1 38 38 ASP CA C 13 52.007 0.25 . 1 . . . A 466 ASP CA . 19214 1 369 . 1 1 38 38 ASP CB C 13 41.201 0.25 . 1 . . . A 466 ASP CB . 19214 1 370 . 1 1 38 38 ASP N N 15 121.980 0.25 . 1 . . . A 466 ASP N . 19214 1 371 . 1 1 39 39 ASP H H 1 8.335 0.04 . 1 . . . A 467 ASP H . 19214 1 372 . 1 1 39 39 ASP HA H 1 4.146 0.04 . 1 . . . A 467 ASP HA . 19214 1 373 . 1 1 39 39 ASP HB2 H 1 2.495 0.04 . 1 . . . A 467 ASP HB2 . 19214 1 374 . 1 1 39 39 ASP HB3 H 1 2.608 0.04 . 1 . . . A 467 ASP HB3 . 19214 1 375 . 1 1 39 39 ASP C C 13 176.189 0.25 . 1 . . . A 467 ASP C . 19214 1 376 . 1 1 39 39 ASP CA C 13 56.172 0.25 . 1 . . . A 467 ASP CA . 19214 1 377 . 1 1 39 39 ASP CB C 13 40.189 0.25 . 1 . . . A 467 ASP CB . 19214 1 378 . 1 1 39 39 ASP N N 15 116.915 0.25 . 1 . . . A 467 ASP N . 19214 1 379 . 1 1 40 40 ASN H H 1 8.237 0.04 . 1 . . . A 468 ASN H . 19214 1 380 . 1 1 40 40 ASN HA H 1 4.689 0.04 . 1 . . . A 468 ASN HA . 19214 1 381 . 1 1 40 40 ASN HB2 H 1 2.679 0.04 . 1 . . . A 468 ASN HB2 . 19214 1 382 . 1 1 40 40 ASN HB3 H 1 2.885 0.04 . 1 . . . A 468 ASN HB3 . 19214 1 383 . 1 1 40 40 ASN HD21 H 1 7.740 0.04 . 1 . . . A 468 ASN HD21 . 19214 1 384 . 1 1 40 40 ASN HD22 H 1 6.820 0.04 . 1 . . . A 468 ASN HD22 . 19214 1 385 . 1 1 40 40 ASN C C 13 174.068 0.25 . 1 . . . A 468 ASN C . 19214 1 386 . 1 1 40 40 ASN CA C 13 52.711 0.25 . 1 . . . A 468 ASN CA . 19214 1 387 . 1 1 40 40 ASN CB C 13 39.418 0.25 . 1 . . . A 468 ASN CB . 19214 1 388 . 1 1 40 40 ASN N N 15 116.918 0.25 . 1 . . . A 468 ASN N . 19214 1 389 . 1 1 40 40 ASN ND2 N 15 114.400 0.25 . 1 . . . A 468 ASN ND2 . 19214 1 390 . 1 1 41 41 TYR H H 1 7.975 0.04 . 1 . . . A 469 TYR H . 19214 1 391 . 1 1 41 41 TYR HA H 1 3.614 0.04 . 1 . . . A 469 TYR HA . 19214 1 392 . 1 1 41 41 TYR HB2 H 1 2.920 0.04 . 1 . . . A 469 TYR HB2 . 19214 1 393 . 1 1 41 41 TYR HB3 H 1 3.000 0.04 . 1 . . . A 469 TYR HB3 . 19214 1 394 . 1 1 41 41 TYR HD2 H 1 5.970 0.04 . 1 . . . A 469 TYR HD2 . 19214 1 395 . 1 1 41 41 TYR HE2 H 1 6.620 0.04 . 1 . . . A 469 TYR HE2 . 19214 1 396 . 1 1 41 41 TYR C C 13 173.766 0.25 . 1 . . . A 469 TYR C . 19214 1 397 . 1 1 41 41 TYR CA C 13 60.636 0.25 . 1 . . . A 469 TYR CA . 19214 1 398 . 1 1 41 41 TYR CB C 13 34.697 0.25 . 1 . . . A 469 TYR CB . 19214 1 399 . 1 1 41 41 TYR CE2 C 13 118.200 0.25 . 1 . . . A 469 TYR CE2 . 19214 1 400 . 1 1 41 41 TYR N N 15 113.180 0.25 . 1 . . . A 469 TYR N . 19214 1 401 . 1 1 42 42 VAL H H 1 8.354 0.04 . 1 . . . A 470 VAL H . 19214 1 402 . 1 1 42 42 VAL HA H 1 4.100 0.04 . 1 . . . A 470 VAL HA . 19214 1 403 . 1 1 42 42 VAL HB H 1 2.270 0.04 . 1 . . . A 470 VAL HB . 19214 1 404 . 1 1 42 42 VAL HG11 H 1 0.940 0.04 . 1 . . . A 470 VAL HG11 . 19214 1 405 . 1 1 42 42 VAL HG12 H 1 0.940 0.04 . 1 . . . A 470 VAL HG12 . 19214 1 406 . 1 1 42 42 VAL HG13 H 1 0.940 0.04 . 1 . . . A 470 VAL HG13 . 19214 1 407 . 1 1 42 42 VAL HG21 H 1 0.860 0.04 . 1 . . . A 470 VAL HG21 . 19214 1 408 . 1 1 42 42 VAL HG22 H 1 0.860 0.04 . 1 . . . A 470 VAL HG22 . 19214 1 409 . 1 1 42 42 VAL HG23 H 1 0.860 0.04 . 1 . . . A 470 VAL HG23 . 19214 1 410 . 1 1 42 42 VAL CA C 13 63.555 0.25 . 1 . . . A 470 VAL CA . 19214 1 411 . 1 1 42 42 VAL CB C 13 31.054 0.25 . 1 . . . A 470 VAL CB . 19214 1 412 . 1 1 42 42 VAL N N 15 120.871 0.25 . 1 . . . A 470 VAL N . 19214 1 413 . 1 1 46 46 VAL HA H 1 4.288 0.04 . 1 . . . A 474 VAL HA . 19214 1 414 . 1 1 46 46 VAL HB H 1 2.090 0.04 . 1 . . . A 474 VAL HB . 19214 1 415 . 1 1 46 46 VAL HG11 H 1 0.614 0.04 . 1 . . . A 474 VAL HG11 . 19214 1 416 . 1 1 46 46 VAL HG12 H 1 0.614 0.04 . 1 . . . A 474 VAL HG12 . 19214 1 417 . 1 1 46 46 VAL HG13 H 1 0.614 0.04 . 1 . . . A 474 VAL HG13 . 19214 1 418 . 1 1 46 46 VAL HG21 H 1 0.008 0.04 . 1 . . . A 474 VAL HG21 . 19214 1 419 . 1 1 46 46 VAL HG22 H 1 0.008 0.04 . 1 . . . A 474 VAL HG22 . 19214 1 420 . 1 1 46 46 VAL HG23 H 1 0.008 0.04 . 1 . . . A 474 VAL HG23 . 19214 1 421 . 1 1 46 46 VAL C C 13 175.489 0.25 . 1 . . . A 474 VAL C . 19214 1 422 . 1 1 46 46 VAL CA C 13 61.669 0.25 . 1 . . . A 474 VAL CA . 19214 1 423 . 1 1 46 46 VAL CB C 13 32.382 0.25 . 1 . . . A 474 VAL CB . 19214 1 424 . 1 1 46 46 VAL CG1 C 13 22.431 0.25 . 1 . . . A 474 VAL CG1 . 19214 1 425 . 1 1 46 46 VAL CG2 C 13 19.339 0.25 . 1 . . . A 474 VAL CG2 . 19214 1 426 . 1 1 47 47 ALA H H 1 7.321 0.04 . 1 . . . A 475 ALA H . 19214 1 427 . 1 1 47 47 ALA HA H 1 4.552 0.04 . 1 . . . A 475 ALA HA . 19214 1 428 . 1 1 47 47 ALA HB1 H 1 1.228 0.04 . 1 . . . A 475 ALA HB1 . 19214 1 429 . 1 1 47 47 ALA HB2 H 1 1.228 0.04 . 1 . . . A 475 ALA HB2 . 19214 1 430 . 1 1 47 47 ALA HB3 H 1 1.228 0.04 . 1 . . . A 475 ALA HB3 . 19214 1 431 . 1 1 47 47 ALA C C 13 174.363 0.25 . 1 . . . A 475 ALA C . 19214 1 432 . 1 1 47 47 ALA CA C 13 52.023 0.25 . 1 . . . A 475 ALA CA . 19214 1 433 . 1 1 47 47 ALA CB C 13 23.339 0.25 . 1 . . . A 475 ALA CB . 19214 1 434 . 1 1 47 47 ALA N N 15 118.920 0.25 . 1 . . . A 475 ALA N . 19214 1 435 . 1 1 48 48 GLU H H 1 8.969 0.04 . 1 . . . A 476 GLU H . 19214 1 436 . 1 1 48 48 GLU HA H 1 5.128 0.04 . 1 . . . A 476 GLU HA . 19214 1 437 . 1 1 48 48 GLU HB2 H 1 1.748 0.04 . 1 . . . A 476 GLU HB2 . 19214 1 438 . 1 1 48 48 GLU HB3 H 1 1.918 0.04 . 1 . . . A 476 GLU HB3 . 19214 1 439 . 1 1 48 48 GLU HG3 H 1 1.891 0.04 . 1 . . . A 476 GLU HG3 . 19214 1 440 . 1 1 48 48 GLU C C 13 173.921 0.25 . 1 . . . A 476 GLU C . 19214 1 441 . 1 1 48 48 GLU CA C 13 55.372 0.25 . 1 . . . A 476 GLU CA . 19214 1 442 . 1 1 48 48 GLU CB C 13 35.144 0.25 . 1 . . . A 476 GLU CB . 19214 1 443 . 1 1 48 48 GLU CG C 13 36.687 0.25 . 1 . . . A 476 GLU CG . 19214 1 444 . 1 1 48 48 GLU N N 15 121.933 0.25 . 1 . . . A 476 GLU N . 19214 1 445 . 1 1 49 49 SER H H 1 9.069 0.04 . 1 . . . A 477 SER H . 19214 1 446 . 1 1 49 49 SER HA H 1 4.855 0.04 . 1 . . . A 477 SER HA . 19214 1 447 . 1 1 49 49 SER HB3 H 1 3.579 0.04 . 1 . . . A 477 SER HB3 . 19214 1 448 . 1 1 49 49 SER C C 13 173.315 0.25 . 1 . . . A 477 SER C . 19214 1 449 . 1 1 49 49 SER CA C 13 56.600 0.25 . 1 . . . A 477 SER CA . 19214 1 450 . 1 1 49 49 SER CB C 13 64.022 0.25 . 1 . . . A 477 SER CB . 19214 1 451 . 1 1 49 49 SER N N 15 121.397 0.25 . 1 . . . A 477 SER N . 19214 1 452 . 1 1 50 50 VAL H H 1 9.081 0.04 . 1 . . . A 478 VAL H . 19214 1 453 . 1 1 50 50 VAL HA H 1 5.287 0.04 . 1 . . . A 478 VAL HA . 19214 1 454 . 1 1 50 50 VAL HB H 1 2.143 0.04 . 1 . . . A 478 VAL HB . 19214 1 455 . 1 1 50 50 VAL HG11 H 1 1.304 0.04 . 1 . . . A 478 VAL HG11 . 19214 1 456 . 1 1 50 50 VAL HG12 H 1 1.304 0.04 . 1 . . . A 478 VAL HG12 . 19214 1 457 . 1 1 50 50 VAL HG13 H 1 1.304 0.04 . 1 . . . A 478 VAL HG13 . 19214 1 458 . 1 1 50 50 VAL HG21 H 1 0.991 0.04 . 1 . . . A 478 VAL HG21 . 19214 1 459 . 1 1 50 50 VAL HG22 H 1 0.991 0.04 . 1 . . . A 478 VAL HG22 . 19214 1 460 . 1 1 50 50 VAL HG23 H 1 0.991 0.04 . 1 . . . A 478 VAL HG23 . 19214 1 461 . 1 1 50 50 VAL C C 13 173.093 0.25 . 1 . . . A 478 VAL C . 19214 1 462 . 1 1 50 50 VAL CA C 13 58.849 0.25 . 1 . . . A 478 VAL CA . 19214 1 463 . 1 1 50 50 VAL CB C 13 35.764 0.25 . 1 . . . A 478 VAL CB . 19214 1 464 . 1 1 50 50 VAL CG1 C 13 21.675 0.25 . 1 . . . A 478 VAL CG1 . 19214 1 465 . 1 1 50 50 VAL CG2 C 13 19.418 0.25 . 1 . . . A 478 VAL CG2 . 19214 1 466 . 1 1 50 50 VAL N N 15 128.194 0.25 . 1 . . . A 478 VAL N . 19214 1 467 . 1 1 51 51 ALA H H 1 8.688 0.04 . 1 . . . A 479 ALA H . 19214 1 468 . 1 1 51 51 ALA HA H 1 4.358 0.04 . 1 . . . A 479 ALA HA . 19214 1 469 . 1 1 51 51 ALA HB1 H 1 1.815 0.04 . 1 . . . A 479 ALA HB1 . 19214 1 470 . 1 1 51 51 ALA HB2 H 1 1.815 0.04 . 1 . . . A 479 ALA HB2 . 19214 1 471 . 1 1 51 51 ALA HB3 H 1 1.815 0.04 . 1 . . . A 479 ALA HB3 . 19214 1 472 . 1 1 51 51 ALA C C 13 176.760 0.25 . 1 . . . A 479 ALA C . 19214 1 473 . 1 1 51 51 ALA CA C 13 52.215 0.25 . 1 . . . A 479 ALA CA . 19214 1 474 . 1 1 51 51 ALA CB C 13 20.082 0.25 . 1 . . . A 479 ALA CB . 19214 1 475 . 1 1 51 51 ALA N N 15 129.566 0.25 . 1 . . . A 479 ALA N . 19214 1 476 . 1 1 52 52 GLU H H 1 8.531 0.04 . 1 . . . A 480 GLU H . 19214 1 477 . 1 1 52 52 GLU HA H 1 4.011 0.04 . 1 . . . A 480 GLU HA . 19214 1 478 . 1 1 52 52 GLU HB2 H 1 1.906 0.04 . 1 . . . A 480 GLU HB2 . 19214 1 479 . 1 1 52 52 GLU HB3 H 1 1.990 0.04 . 1 . . . A 480 GLU HB3 . 19214 1 480 . 1 1 52 52 GLU HG3 H 1 2.269 0.04 . 1 . . . A 480 GLU HG3 . 19214 1 481 . 1 1 52 52 GLU C C 13 177.201 0.25 . 1 . . . A 480 GLU C . 19214 1 482 . 1 1 52 52 GLU CA C 13 58.178 0.25 . 1 . . . A 480 GLU CA . 19214 1 483 . 1 1 52 52 GLU CB C 13 29.829 0.25 . 1 . . . A 480 GLU CB . 19214 1 484 . 1 1 52 52 GLU CG C 13 36.318 0.25 . 1 . . . A 480 GLU CG . 19214 1 485 . 1 1 52 52 GLU N N 15 120.391 0.25 . 1 . . . A 480 GLU N . 19214 1 486 . 1 1 53 53 GLY H H 1 8.557 0.04 . 1 . . . A 481 GLY H . 19214 1 487 . 1 1 53 53 GLY HA2 H 1 3.372 0.04 . 1 . . . A 481 GLY HA2 . 19214 1 488 . 1 1 53 53 GLY HA3 H 1 3.834 0.04 . 1 . . . A 481 GLY HA3 . 19214 1 489 . 1 1 53 53 GLY C C 13 174.000 0.25 . 1 . . . A 481 GLY C . 19214 1 490 . 1 1 53 53 GLY CA C 13 44.644 0.25 . 1 . . . A 481 GLY CA . 19214 1 491 . 1 1 53 53 GLY N N 15 110.913 0.25 . 1 . . . A 481 GLY N . 19214 1 492 . 1 1 54 54 TRP H H 1 7.066 0.04 . 1 . . . A 482 TRP H . 19214 1 493 . 1 1 54 54 TRP HA H 1 5.200 0.04 . 1 . . . A 482 TRP HA . 19214 1 494 . 1 1 54 54 TRP HB2 H 1 2.860 0.04 . 1 . . . A 482 TRP HB2 . 19214 1 495 . 1 1 54 54 TRP HB3 H 1 3.030 0.04 . 1 . . . A 482 TRP HB3 . 19214 1 496 . 1 1 54 54 TRP HD1 H 1 7.110 0.04 . 1 . . . A 482 TRP HD1 . 19214 1 497 . 1 1 54 54 TRP HE1 H 1 9.900 0.04 . 1 . . . A 482 TRP HE1 . 19214 1 498 . 1 1 54 54 TRP HE3 H 1 7.350 0.04 . 1 . . . A 482 TRP HE3 . 19214 1 499 . 1 1 54 54 TRP HZ2 H 1 7.390 0.04 . 1 . . . A 482 TRP HZ2 . 19214 1 500 . 1 1 54 54 TRP HZ3 H 1 7.000 0.04 . 1 . . . A 482 TRP HZ3 . 19214 1 501 . 1 1 54 54 TRP HH2 H 1 7.070 0.04 . 1 . . . A 482 TRP HH2 . 19214 1 502 . 1 1 54 54 TRP CA C 13 53.641 0.25 . 1 . . . A 482 TRP CA . 19214 1 503 . 1 1 54 54 TRP CB C 13 29.556 0.25 . 1 . . . A 482 TRP CB . 19214 1 504 . 1 1 54 54 TRP CD1 C 13 128.400 0.25 . 1 . . . A 482 TRP CD1 . 19214 1 505 . 1 1 54 54 TRP CE3 C 13 119.800 0.25 . 1 . . . A 482 TRP CE3 . 19214 1 506 . 1 1 54 54 TRP CZ2 C 13 114.900 0.25 . 1 . . . A 482 TRP CZ2 . 19214 1 507 . 1 1 54 54 TRP CZ3 C 13 122.100 0.25 . 1 . . . A 482 TRP CZ3 . 19214 1 508 . 1 1 54 54 TRP CH2 C 13 124.200 0.25 . 1 . . . A 482 TRP CH2 . 19214 1 509 . 1 1 54 54 TRP N N 15 119.571 0.25 . 1 . . . A 482 TRP N . 19214 1 510 . 1 1 54 54 TRP NE1 N 15 127.900 0.25 . 1 . . . A 482 TRP NE1 . 19214 1 511 . 1 1 56 56 GLN HE21 H 1 7.290 0.04 . 1 . . . A 484 GLN HE21 . 19214 1 512 . 1 1 56 56 GLN CB C 13 28.700 0.25 . 1 . . . A 484 GLN CB . 19214 1 513 . 1 1 56 56 GLN CG C 13 35.000 0.25 . 1 . . . A 484 GLN CG . 19214 1 514 . 1 1 56 56 GLN NE2 N 15 110.200 0.25 . 1 . . . A 484 GLN NE2 . 19214 1 515 . 1 1 57 57 ALA HA H 1 4.021 0.04 . 1 . . . A 485 ALA HA . 19214 1 516 . 1 1 57 57 ALA HB1 H 1 1.363 0.04 . 1 . . . A 485 ALA HB1 . 19214 1 517 . 1 1 57 57 ALA HB2 H 1 1.363 0.04 . 1 . . . A 485 ALA HB2 . 19214 1 518 . 1 1 57 57 ALA HB3 H 1 1.363 0.04 . 1 . . . A 485 ALA HB3 . 19214 1 519 . 1 1 57 57 ALA C C 13 180.181 0.25 . 1 . . . A 485 ALA C . 19214 1 520 . 1 1 57 57 ALA CA C 13 55.328 0.25 . 1 . . . A 485 ALA CA . 19214 1 521 . 1 1 57 57 ALA CB C 13 18.537 0.25 . 1 . . . A 485 ALA CB . 19214 1 522 . 1 1 58 58 ARG H H 1 8.998 0.04 . 1 . . . A 486 ARG H . 19214 1 523 . 1 1 58 58 ARG HA H 1 4.104 0.04 . 1 . . . A 486 ARG HA . 19214 1 524 . 1 1 58 58 ARG HB2 H 1 1.766 0.04 . 1 . . . A 486 ARG HB2 . 19214 1 525 . 1 1 58 58 ARG HB3 H 1 1.974 0.04 . 1 . . . A 486 ARG HB3 . 19214 1 526 . 1 1 58 58 ARG HG3 H 1 1.588 0.04 . 1 . . . A 486 ARG HG3 . 19214 1 527 . 1 1 58 58 ARG HD3 H 1 3.061 0.04 . 1 . . . A 486 ARG HD3 . 19214 1 528 . 1 1 58 58 ARG C C 13 176.165 0.25 . 1 . . . A 486 ARG C . 19214 1 529 . 1 1 58 58 ARG CA C 13 58.068 0.25 . 1 . . . A 486 ARG CA . 19214 1 530 . 1 1 58 58 ARG CB C 13 29.624 0.25 . 1 . . . A 486 ARG CB . 19214 1 531 . 1 1 58 58 ARG N N 15 114.901 0.25 . 1 . . . A 486 ARG N . 19214 1 532 . 1 1 59 59 ASP H H 1 7.424 0.04 . 1 . . . A 487 ASP H . 19214 1 533 . 1 1 59 59 ASP HA H 1 4.724 0.04 . 1 . . . A 487 ASP HA . 19214 1 534 . 1 1 59 59 ASP HB2 H 1 2.654 0.04 . 1 . . . A 487 ASP HB2 . 19214 1 535 . 1 1 59 59 ASP HB3 H 1 2.857 0.04 . 1 . . . A 487 ASP HB3 . 19214 1 536 . 1 1 59 59 ASP C C 13 175.859 0.25 . 1 . . . A 487 ASP C . 19214 1 537 . 1 1 59 59 ASP CA C 13 54.873 0.25 . 1 . . . A 487 ASP CA . 19214 1 538 . 1 1 59 59 ASP CB C 13 41.415 0.25 . 1 . . . A 487 ASP CB . 19214 1 539 . 1 1 59 59 ASP N N 15 117.227 0.25 . 1 . . . A 487 ASP N . 19214 1 540 . 1 1 60 60 GLN H H 1 7.548 0.04 . 1 . . . A 488 GLN H . 19214 1 541 . 1 1 60 60 GLN HA H 1 4.471 0.04 . 1 . . . A 488 GLN HA . 19214 1 542 . 1 1 60 60 GLN HB2 H 1 1.972 0.04 . 1 . . . A 488 GLN HB2 . 19214 1 543 . 1 1 60 60 GLN HB3 H 1 2.131 0.04 . 1 . . . A 488 GLN HB3 . 19214 1 544 . 1 1 60 60 GLN HG3 H 1 2.510 0.04 . 1 . . . A 488 GLN HG3 . 19214 1 545 . 1 1 60 60 GLN C C 13 175.010 0.25 . 1 . . . A 488 GLN C . 19214 1 546 . 1 1 60 60 GLN CA C 13 54.037 0.25 . 1 . . . A 488 GLN CA . 19214 1 547 . 1 1 60 60 GLN CB C 13 29.989 0.25 . 1 . . . A 488 GLN CB . 19214 1 548 . 1 1 60 60 GLN CG C 13 33.490 0.25 . 1 . . . A 488 GLN CG . 19214 1 549 . 1 1 60 60 GLN N N 15 117.558 0.25 . 1 . . . A 488 GLN N . 19214 1 550 . 1 1 61 61 VAL H H 1 8.426 0.04 . 1 . . . A 489 VAL H . 19214 1 551 . 1 1 61 61 VAL HA H 1 4.102 0.04 . 1 . . . A 489 VAL HA . 19214 1 552 . 1 1 61 61 VAL HB H 1 1.970 0.04 . 1 . . . A 489 VAL HB . 19214 1 553 . 1 1 61 61 VAL HG11 H 1 0.900 0.04 . 1 . . . A 489 VAL HG11 . 19214 1 554 . 1 1 61 61 VAL HG12 H 1 0.900 0.04 . 1 . . . A 489 VAL HG12 . 19214 1 555 . 1 1 61 61 VAL HG13 H 1 0.900 0.04 . 1 . . . A 489 VAL HG13 . 19214 1 556 . 1 1 61 61 VAL C C 13 175.471 0.25 . 1 . . . A 489 VAL C . 19214 1 557 . 1 1 61 61 VAL CA C 13 62.947 0.25 . 1 . . . A 489 VAL CA . 19214 1 558 . 1 1 61 61 VAL CB C 13 31.473 0.25 . 1 . . . A 489 VAL CB . 19214 1 559 . 1 1 61 61 VAL CG1 C 13 22.200 0.25 . 1 . . . A 489 VAL CG1 . 19214 1 560 . 1 1 61 61 VAL N N 15 122.991 0.25 . 1 . . . A 489 VAL N . 19214 1 561 . 1 1 62 62 ILE H H 1 8.474 0.04 . 1 . . . A 490 ILE H . 19214 1 562 . 1 1 62 62 ILE HA H 1 4.310 0.04 . 1 . . . A 490 ILE HA . 19214 1 563 . 1 1 62 62 ILE HB H 1 1.830 0.04 . 1 . . . A 490 ILE HB . 19214 1 564 . 1 1 62 62 ILE HG12 H 1 1.210 0.04 . 1 . . . A 490 ILE HG12 . 19214 1 565 . 1 1 62 62 ILE HG13 H 1 1.420 0.04 . 1 . . . A 490 ILE HG13 . 19214 1 566 . 1 1 62 62 ILE HG21 H 1 0.960 0.04 . 1 . . . A 490 ILE HG21 . 19214 1 567 . 1 1 62 62 ILE HG22 H 1 0.960 0.04 . 1 . . . A 490 ILE HG22 . 19214 1 568 . 1 1 62 62 ILE HG23 H 1 0.960 0.04 . 1 . . . A 490 ILE HG23 . 19214 1 569 . 1 1 62 62 ILE HD11 H 1 0.890 0.04 . 1 . . . A 490 ILE HD11 . 19214 1 570 . 1 1 62 62 ILE HD12 H 1 0.890 0.04 . 1 . . . A 490 ILE HD12 . 19214 1 571 . 1 1 62 62 ILE HD13 H 1 0.890 0.04 . 1 . . . A 490 ILE HD13 . 19214 1 572 . 1 1 62 62 ILE N N 15 128.401 0.25 . 1 . . . A 490 ILE N . 19214 1 573 . 1 1 63 63 GLU HA H 1 4.361 0.04 . 1 . . . A 491 GLU HA . 19214 1 574 . 1 1 63 63 GLU HB2 H 1 1.585 0.04 . 1 . . . A 491 GLU HB2 . 19214 1 575 . 1 1 63 63 GLU HB3 H 1 1.977 0.04 . 1 . . . A 491 GLU HB3 . 19214 1 576 . 1 1 63 63 GLU C C 13 174.175 0.25 . 1 . . . A 491 GLU C . 19214 1 577 . 1 1 63 63 GLU CA C 13 54.874 0.25 . 1 . . . A 491 GLU CA . 19214 1 578 . 1 1 63 63 GLU CB C 13 31.063 0.25 . 1 . . . A 491 GLU CB . 19214 1 579 . 1 1 64 64 ASP H H 1 6.870 0.04 . 1 . . . A 492 ASP H . 19214 1 580 . 1 1 64 64 ASP HA H 1 4.730 0.04 . 1 . . . A 492 ASP HA . 19214 1 581 . 1 1 64 64 ASP HB3 H 1 2.610 0.04 . 1 . . . A 492 ASP HB3 . 19214 1 582 . 1 1 64 64 ASP CA C 13 52.914 0.25 . 1 . . . A 492 ASP CA . 19214 1 583 . 1 1 64 64 ASP CB C 13 44.223 0.25 . 1 . . . A 492 ASP CB . 19214 1 584 . 1 1 64 64 ASP N N 15 117.270 0.25 . 1 . . . A 492 ASP N . 19214 1 585 . 1 1 65 65 PRO C C 13 178.700 0.25 . 1 . . . A 493 PRO C . 19214 1 586 . 1 1 65 65 PRO CA C 13 63.429 0.25 . 1 . . . A 493 PRO CA . 19214 1 587 . 1 1 65 65 PRO CB C 13 32.064 0.25 . 1 . . . A 493 PRO CB . 19214 1 588 . 1 1 65 65 PRO CG C 13 27.260 0.25 . 1 . . . A 493 PRO CG . 19214 1 589 . 1 1 66 66 CYS H H 1 8.010 0.04 . 1 . . . A 494 CYS H . 19214 1 590 . 1 1 66 66 CYS N N 15 121.800 0.25 . 1 . . . A 494 CYS N . 19214 1 591 . 1 1 67 67 PHE HD1 H 1 6.050 0.04 . 1 . . . A 495 PHE HD1 . 19214 1 592 . 1 1 67 67 PHE HE1 H 1 5.970 0.04 . 1 . . . A 495 PHE HE1 . 19214 1 593 . 1 1 67 67 PHE CB C 13 36.800 0.25 . 1 . . . A 495 PHE CB . 19214 1 594 . 1 1 72 72 VAL C C 13 177.132 0.25 . 1 . . . A 500 VAL C . 19214 1 595 . 1 1 73 73 GLU H H 1 8.169 0.04 . 1 . . . A 501 GLU H . 19214 1 596 . 1 1 73 73 GLU C C 13 178.329 0.25 . 1 . . . A 501 GLU C . 19214 1 597 . 1 1 73 73 GLU N N 15 117.783 0.25 . 1 . . . A 501 GLU N . 19214 1 598 . 1 1 74 74 ALA H H 1 7.982 0.04 . 1 . . . A 502 ALA H . 19214 1 599 . 1 1 74 74 ALA HA H 1 3.976 0.04 . 1 . . . A 502 ALA HA . 19214 1 600 . 1 1 74 74 ALA HB1 H 1 1.278 0.04 . 1 . . . A 502 ALA HB1 . 19214 1 601 . 1 1 74 74 ALA HB2 H 1 1.278 0.04 . 1 . . . A 502 ALA HB2 . 19214 1 602 . 1 1 74 74 ALA HB3 H 1 1.278 0.04 . 1 . . . A 502 ALA HB3 . 19214 1 603 . 1 1 74 74 ALA C C 13 181.216 0.25 . 1 . . . A 502 ALA C . 19214 1 604 . 1 1 74 74 ALA CA C 13 55.113 0.25 . 1 . . . A 502 ALA CA . 19214 1 605 . 1 1 74 74 ALA CB C 13 17.660 0.25 . 1 . . . A 502 ALA CB . 19214 1 606 . 1 1 74 74 ALA N N 15 120.877 0.25 . 1 . . . A 502 ALA N . 19214 1 607 . 1 1 75 75 TYR H H 1 7.310 0.04 . 1 . . . A 503 TYR H . 19214 1 608 . 1 1 75 75 TYR HA H 1 4.440 0.04 . 1 . . . A 503 TYR HA . 19214 1 609 . 1 1 75 75 TYR HB2 H 1 2.960 0.04 . 1 . . . A 503 TYR HB2 . 19214 1 610 . 1 1 75 75 TYR HB3 H 1 3.000 0.04 . 1 . . . A 503 TYR HB3 . 19214 1 611 . 1 1 75 75 TYR HD2 H 1 7.550 0.04 . 1 . . . A 503 TYR HD2 . 19214 1 612 . 1 1 75 75 TYR HE2 H 1 6.820 0.04 . 1 . . . A 503 TYR HE2 . 19214 1 613 . 1 1 75 75 TYR C C 13 178.488 0.25 . 1 . . . A 503 TYR C . 19214 1 614 . 1 1 75 75 TYR CA C 13 62.517 0.25 . 1 . . . A 503 TYR CA . 19214 1 615 . 1 1 75 75 TYR CB C 13 38.834 0.25 . 1 . . . A 503 TYR CB . 19214 1 616 . 1 1 75 75 TYR CD2 C 13 133.700 0.25 . 1 . . . A 503 TYR CD2 . 19214 1 617 . 1 1 75 75 TYR CE2 C 13 117.500 0.25 . 1 . . . A 503 TYR CE2 . 19214 1 618 . 1 1 75 75 TYR N N 15 116.217 0.25 . 1 . . . A 503 TYR N . 19214 1 619 . 1 1 76 76 ARG H H 1 8.424 0.04 . 1 . . . A 504 ARG H . 19214 1 620 . 1 1 76 76 ARG HA H 1 3.748 0.04 . 1 . . . A 504 ARG HA . 19214 1 621 . 1 1 76 76 ARG HB3 H 1 1.680 0.04 . 1 . . . A 504 ARG HB3 . 19214 1 622 . 1 1 76 76 ARG C C 13 177.207 0.25 . 1 . . . A 504 ARG C . 19214 1 623 . 1 1 76 76 ARG CA C 13 59.734 0.25 . 1 . . . A 504 ARG CA . 19214 1 624 . 1 1 76 76 ARG CB C 13 30.200 0.25 . 1 . . . A 504 ARG CB . 19214 1 625 . 1 1 76 76 ARG N N 15 122.384 0.25 . 1 . . . A 504 ARG N . 19214 1 626 . 1 1 77 77 GLN H H 1 7.436 0.04 . 1 . . . A 505 GLN H . 19214 1 627 . 1 1 77 77 GLN HA H 1 4.220 0.04 . 1 . . . A 505 GLN HA . 19214 1 628 . 1 1 77 77 GLN HB2 H 1 1.915 0.04 . 1 . . . A 505 GLN HB2 . 19214 1 629 . 1 1 77 77 GLN HB3 H 1 2.404 0.04 . 1 . . . A 505 GLN HB3 . 19214 1 630 . 1 1 77 77 GLN HG2 H 1 2.302 0.04 . 1 . . . A 505 GLN HG2 . 19214 1 631 . 1 1 77 77 GLN HG3 H 1 2.491 0.04 . 1 . . . A 505 GLN HG3 . 19214 1 632 . 1 1 77 77 GLN HE21 H 1 7.590 0.04 . 1 . . . A 505 GLN HE21 . 19214 1 633 . 1 1 77 77 GLN HE22 H 1 6.720 0.04 . 1 . . . A 505 GLN HE22 . 19214 1 634 . 1 1 77 77 GLN C C 13 176.342 0.25 . 1 . . . A 505 GLN C . 19214 1 635 . 1 1 77 77 GLN CA C 13 55.587 0.25 . 1 . . . A 505 GLN CA . 19214 1 636 . 1 1 77 77 GLN CB C 13 28.591 0.25 . 1 . . . A 505 GLN CB . 19214 1 637 . 1 1 77 77 GLN CG C 13 33.891 0.25 . 1 . . . A 505 GLN CG . 19214 1 638 . 1 1 77 77 GLN N N 15 112.682 0.25 . 1 . . . A 505 GLN N . 19214 1 639 . 1 1 77 77 GLN NE2 N 15 111.900 0.25 . 1 . . . A 505 GLN NE2 . 19214 1 640 . 1 1 78 78 GLY H H 1 7.910 0.04 . 1 . . . A 506 GLY H . 19214 1 641 . 1 1 78 78 GLY HA2 H 1 3.560 0.04 . 1 . . . A 506 GLY HA2 . 19214 1 642 . 1 1 78 78 GLY HA3 H 1 4.374 0.04 . 1 . . . A 506 GLY HA3 . 19214 1 643 . 1 1 78 78 GLY C C 13 174.202 0.25 . 1 . . . A 506 GLY C . 19214 1 644 . 1 1 78 78 GLY CA C 13 45.499 0.25 . 1 . . . A 506 GLY CA . 19214 1 645 . 1 1 78 78 GLY N N 15 107.068 0.25 . 1 . . . A 506 GLY N . 19214 1 646 . 1 1 79 79 ARG H H 1 7.934 0.04 . 1 . . . A 507 ARG H . 19214 1 647 . 1 1 79 79 ARG HA H 1 3.857 0.04 . 1 . . . A 507 ARG HA . 19214 1 648 . 1 1 79 79 ARG HB2 H 1 0.740 0.04 . 1 . . . A 507 ARG HB2 . 19214 1 649 . 1 1 79 79 ARG HB3 H 1 1.330 0.04 . 1 . . . A 507 ARG HB3 . 19214 1 650 . 1 1 79 79 ARG C C 13 172.375 0.25 . 1 . . . A 507 ARG C . 19214 1 651 . 1 1 79 79 ARG CA C 13 57.969 0.25 . 1 . . . A 507 ARG CA . 19214 1 652 . 1 1 79 79 ARG CB C 13 30.269 0.25 . 1 . . . A 507 ARG CB . 19214 1 653 . 1 1 79 79 ARG N N 15 123.044 0.25 . 1 . . . A 507 ARG N . 19214 1 654 . 1 1 80 80 ILE H H 1 7.572 0.04 . 1 . . . A 508 ILE H . 19214 1 655 . 1 1 80 80 ILE HA H 1 4.819 0.04 . 1 . . . A 508 ILE HA . 19214 1 656 . 1 1 80 80 ILE HB H 1 1.677 0.04 . 1 . . . A 508 ILE HB . 19214 1 657 . 1 1 80 80 ILE HG12 H 1 1.167 0.04 . 1 . . . A 508 ILE HG12 . 19214 1 658 . 1 1 80 80 ILE HG13 H 1 1.470 0.04 . 1 . . . A 508 ILE HG13 . 19214 1 659 . 1 1 80 80 ILE HG21 H 1 0.827 0.04 . 1 . . . A 508 ILE HG21 . 19214 1 660 . 1 1 80 80 ILE HG22 H 1 0.827 0.04 . 1 . . . A 508 ILE HG22 . 19214 1 661 . 1 1 80 80 ILE HG23 H 1 0.827 0.04 . 1 . . . A 508 ILE HG23 . 19214 1 662 . 1 1 80 80 ILE HD11 H 1 0.830 0.04 . 1 . . . A 508 ILE HD11 . 19214 1 663 . 1 1 80 80 ILE HD12 H 1 0.830 0.04 . 1 . . . A 508 ILE HD12 . 19214 1 664 . 1 1 80 80 ILE HD13 H 1 0.830 0.04 . 1 . . . A 508 ILE HD13 . 19214 1 665 . 1 1 80 80 ILE C C 13 177.238 0.25 . 1 . . . A 508 ILE C . 19214 1 666 . 1 1 80 80 ILE CA C 13 59.801 0.25 . 1 . . . A 508 ILE CA . 19214 1 667 . 1 1 80 80 ILE CB C 13 41.877 0.25 . 1 . . . A 508 ILE CB . 19214 1 668 . 1 1 80 80 ILE CG1 C 13 27.930 0.25 . 1 . . . A 508 ILE CG1 . 19214 1 669 . 1 1 80 80 ILE CG2 C 13 16.811 0.25 . 1 . . . A 508 ILE CG2 . 19214 1 670 . 1 1 80 80 ILE CD1 C 13 14.137 0.25 . 1 . . . A 508 ILE CD1 . 19214 1 671 . 1 1 80 80 ILE N N 15 120.600 0.25 . 1 . . . A 508 ILE N . 19214 1 672 . 1 1 81 81 GLN H H 1 8.894 0.04 . 1 . . . A 509 GLN H . 19214 1 673 . 1 1 81 81 GLN HA H 1 4.761 0.04 . 1 . . . A 509 GLN HA . 19214 1 674 . 1 1 81 81 GLN HG3 H 1 2.110 0.04 . 1 . . . A 509 GLN HG3 . 19214 1 675 . 1 1 81 81 GLN HE21 H 1 6.830 0.04 . 1 . . . A 509 GLN HE21 . 19214 1 676 . 1 1 81 81 GLN HE22 H 1 6.710 0.04 . 1 . . . A 509 GLN HE22 . 19214 1 677 . 1 1 81 81 GLN C C 13 172.804 0.25 . 1 . . . A 509 GLN C . 19214 1 678 . 1 1 81 81 GLN CA C 13 54.158 0.25 . 1 . . . A 509 GLN CA . 19214 1 679 . 1 1 81 81 GLN CB C 13 31.078 0.25 . 1 . . . A 509 GLN CB . 19214 1 680 . 1 1 81 81 GLN N N 15 127.676 0.25 . 1 . . . A 509 GLN N . 19214 1 681 . 1 1 82 82 ALA H H 1 9.110 0.04 . 1 . . . A 510 ALA H . 19214 1 682 . 1 1 82 82 ALA HA H 1 4.912 0.04 . 1 . . . A 510 ALA HA . 19214 1 683 . 1 1 82 82 ALA HB1 H 1 1.317 0.04 . 1 . . . A 510 ALA HB1 . 19214 1 684 . 1 1 82 82 ALA HB2 H 1 1.317 0.04 . 1 . . . A 510 ALA HB2 . 19214 1 685 . 1 1 82 82 ALA HB3 H 1 1.317 0.04 . 1 . . . A 510 ALA HB3 . 19214 1 686 . 1 1 82 82 ALA C C 13 175.581 0.25 . 1 . . . A 510 ALA C . 19214 1 687 . 1 1 82 82 ALA CA C 13 51.180 0.25 . 1 . . . A 510 ALA CA . 19214 1 688 . 1 1 82 82 ALA CB C 13 19.939 0.25 . 1 . . . A 510 ALA CB . 19214 1 689 . 1 1 82 82 ALA N N 15 132.910 0.25 . 1 . . . A 510 ALA N . 19214 1 690 . 1 1 83 83 THR H H 1 9.525 0.04 . 1 . . . A 511 THR H . 19214 1 691 . 1 1 83 83 THR HA H 1 4.636 0.04 . 1 . . . A 511 THR HA . 19214 1 692 . 1 1 83 83 THR HB H 1 4.207 0.04 . 1 . . . A 511 THR HB . 19214 1 693 . 1 1 83 83 THR HG21 H 1 1.071 0.04 . 1 . . . A 511 THR HG21 . 19214 1 694 . 1 1 83 83 THR HG22 H 1 1.071 0.04 . 1 . . . A 511 THR HG22 . 19214 1 695 . 1 1 83 83 THR HG23 H 1 1.071 0.04 . 1 . . . A 511 THR HG23 . 19214 1 696 . 1 1 83 83 THR C C 13 174.690 0.25 . 1 . . . A 511 THR C . 19214 1 697 . 1 1 83 83 THR CA C 13 61.883 0.25 . 1 . . . A 511 THR CA . 19214 1 698 . 1 1 83 83 THR CB C 13 69.826 0.25 . 1 . . . A 511 THR CB . 19214 1 699 . 1 1 83 83 THR CG2 C 13 23.900 0.25 . 1 . . . A 511 THR CG2 . 19214 1 700 . 1 1 83 83 THR N N 15 123.543 0.25 . 1 . . . A 511 THR N . 19214 1 701 . 1 1 84 84 THR H H 1 9.024 0.04 . 1 . . . A 512 THR H . 19214 1 702 . 1 1 84 84 THR HA H 1 4.524 0.04 . 1 . . . A 512 THR HA . 19214 1 703 . 1 1 84 84 THR HB H 1 3.949 0.04 . 1 . . . A 512 THR HB . 19214 1 704 . 1 1 84 84 THR HG21 H 1 0.876 0.04 . 1 . . . A 512 THR HG21 . 19214 1 705 . 1 1 84 84 THR HG22 H 1 0.876 0.04 . 1 . . . A 512 THR HG22 . 19214 1 706 . 1 1 84 84 THR HG23 H 1 0.876 0.04 . 1 . . . A 512 THR HG23 . 19214 1 707 . 1 1 84 84 THR C C 13 172.791 0.25 . 1 . . . A 512 THR C . 19214 1 708 . 1 1 84 84 THR CA C 13 63.974 0.25 . 1 . . . A 512 THR CA . 19214 1 709 . 1 1 84 84 THR CB C 13 69.199 0.25 . 1 . . . A 512 THR CB . 19214 1 710 . 1 1 84 84 THR CG2 C 13 22.000 0.25 . 1 . . . A 512 THR CG2 . 19214 1 711 . 1 1 84 84 THR N N 15 129.502 0.25 . 1 . . . A 512 THR N . 19214 1 712 . 1 1 85 85 ASP H H 1 7.263 0.04 . 1 . . . A 513 ASP H . 19214 1 713 . 1 1 85 85 ASP HA H 1 4.891 0.04 . 1 . . . A 513 ASP HA . 19214 1 714 . 1 1 85 85 ASP HB2 H 1 2.304 0.04 . 1 . . . A 513 ASP HB2 . 19214 1 715 . 1 1 85 85 ASP HB3 H 1 2.579 0.04 . 1 . . . A 513 ASP HB3 . 19214 1 716 . 1 1 85 85 ASP C C 13 179.282 0.25 . 1 . . . A 513 ASP C . 19214 1 717 . 1 1 85 85 ASP CA C 13 51.637 0.25 . 1 . . . A 513 ASP CA . 19214 1 718 . 1 1 85 85 ASP CB C 13 42.591 0.25 . 1 . . . A 513 ASP CB . 19214 1 719 . 1 1 85 85 ASP N N 15 113.203 0.25 . 1 . . . A 513 ASP N . 19214 1 720 . 1 1 86 86 ILE H H 1 9.465 0.04 . 1 . . . A 514 ILE H . 19214 1 721 . 1 1 86 86 ILE HA H 1 3.595 0.04 . 1 . . . A 514 ILE HA . 19214 1 722 . 1 1 86 86 ILE HB H 1 1.439 0.04 . 1 . . . A 514 ILE HB . 19214 1 723 . 1 1 86 86 ILE HG21 H 1 0.542 0.04 . 1 . . . A 514 ILE HG21 . 19214 1 724 . 1 1 86 86 ILE HG22 H 1 0.542 0.04 . 1 . . . A 514 ILE HG22 . 19214 1 725 . 1 1 86 86 ILE HG23 H 1 0.542 0.04 . 1 . . . A 514 ILE HG23 . 19214 1 726 . 1 1 86 86 ILE HD11 H 1 0.075 0.04 . 1 . . . A 514 ILE HD11 . 19214 1 727 . 1 1 86 86 ILE HD12 H 1 0.075 0.04 . 1 . . . A 514 ILE HD12 . 19214 1 728 . 1 1 86 86 ILE HD13 H 1 0.075 0.04 . 1 . . . A 514 ILE HD13 . 19214 1 729 . 1 1 86 86 ILE C C 13 175.984 0.25 . 1 . . . A 514 ILE C . 19214 1 730 . 1 1 86 86 ILE CA C 13 64.552 0.25 . 1 . . . A 514 ILE CA . 19214 1 731 . 1 1 86 86 ILE CB C 13 37.796 0.25 . 1 . . . A 514 ILE CB . 19214 1 732 . 1 1 86 86 ILE CG2 C 13 17.787 0.25 . 1 . . . A 514 ILE CG2 . 19214 1 733 . 1 1 86 86 ILE CD1 C 13 16.000 0.25 . 1 . . . A 514 ILE CD1 . 19214 1 734 . 1 1 86 86 ILE N N 15 122.554 0.25 . 1 . . . A 514 ILE N . 19214 1 735 . 1 1 87 87 PHE H H 1 7.804 0.04 . 1 . . . A 515 PHE H . 19214 1 736 . 1 1 87 87 PHE HA H 1 4.399 0.04 . 1 . . . A 515 PHE HA . 19214 1 737 . 1 1 87 87 PHE HB2 H 1 2.912 0.04 . 1 . . . A 515 PHE HB2 . 19214 1 738 . 1 1 87 87 PHE HB3 H 1 3.337 0.04 . 1 . . . A 515 PHE HB3 . 19214 1 739 . 1 1 87 87 PHE HD1 H 1 7.260 0.04 . 1 . . . A 515 PHE HD1 . 19214 1 740 . 1 1 87 87 PHE HE1 H 1 7.160 0.04 . 1 . . . A 515 PHE HE1 . 19214 1 741 . 1 1 87 87 PHE HZ H 1 7.320 0.04 . 1 . . . A 515 PHE HZ . 19214 1 742 . 1 1 87 87 PHE C C 13 176.347 0.25 . 1 . . . A 515 PHE C . 19214 1 743 . 1 1 87 87 PHE CA C 13 59.346 0.25 . 1 . . . A 515 PHE CA . 19214 1 744 . 1 1 87 87 PHE CB C 13 37.709 0.25 . 1 . . . A 515 PHE CB . 19214 1 745 . 1 1 87 87 PHE CD1 C 13 131.400 0.25 . 1 . . . A 515 PHE CD1 . 19214 1 746 . 1 1 87 87 PHE CE1 C 13 131.300 0.25 . 1 . . . A 515 PHE CE1 . 19214 1 747 . 1 1 87 87 PHE CZ C 13 131.500 0.25 . 1 . . . A 515 PHE CZ . 19214 1 748 . 1 1 87 87 PHE N N 15 117.573 0.25 . 1 . . . A 515 PHE N . 19214 1 749 . 1 1 88 88 LYS H H 1 7.559 0.04 . 1 . . . A 516 LYS H . 19214 1 750 . 1 1 88 88 LYS HA H 1 4.692 0.04 . 1 . . . A 516 LYS HA . 19214 1 751 . 1 1 88 88 LYS HB2 H 1 1.509 0.04 . 1 . . . A 516 LYS HB2 . 19214 1 752 . 1 1 88 88 LYS HB3 H 1 2.147 0.04 . 1 . . . A 516 LYS HB3 . 19214 1 753 . 1 1 88 88 LYS HG2 H 1 1.610 0.04 . 1 . . . A 516 LYS HG2 . 19214 1 754 . 1 1 88 88 LYS HG3 H 1 1.684 0.04 . 1 . . . A 516 LYS HG3 . 19214 1 755 . 1 1 88 88 LYS HD2 H 1 1.272 0.04 . 1 . . . A 516 LYS HD2 . 19214 1 756 . 1 1 88 88 LYS HD3 H 1 1.337 0.04 . 1 . . . A 516 LYS HD3 . 19214 1 757 . 1 1 88 88 LYS HE3 H 1 2.965 0.04 . 1 . . . A 516 LYS HE3 . 19214 1 758 . 1 1 88 88 LYS C C 13 175.821 0.25 . 1 . . . A 516 LYS C . 19214 1 759 . 1 1 88 88 LYS CA C 13 54.851 0.25 . 1 . . . A 516 LYS CA . 19214 1 760 . 1 1 88 88 LYS CB C 13 33.855 0.25 . 1 . . . A 516 LYS CB . 19214 1 761 . 1 1 88 88 LYS CG C 13 24.983 0.25 . 1 . . . A 516 LYS CG . 19214 1 762 . 1 1 88 88 LYS CD C 13 29.202 0.25 . 1 . . . A 516 LYS CD . 19214 1 763 . 1 1 88 88 LYS CE C 13 43.600 0.25 . 1 . . . A 516 LYS CE . 19214 1 764 . 1 1 88 88 LYS N N 15 118.690 0.25 . 1 . . . A 516 LYS N . 19214 1 765 . 1 1 89 89 ALA H H 1 7.219 0.04 . 1 . . . A 517 ALA H . 19214 1 766 . 1 1 89 89 ALA HA H 1 4.530 0.04 . 1 . . . A 517 ALA HA . 19214 1 767 . 1 1 89 89 ALA HB1 H 1 1.330 0.04 . 1 . . . A 517 ALA HB1 . 19214 1 768 . 1 1 89 89 ALA HB2 H 1 1.330 0.04 . 1 . . . A 517 ALA HB2 . 19214 1 769 . 1 1 89 89 ALA HB3 H 1 1.330 0.04 . 1 . . . A 517 ALA HB3 . 19214 1 770 . 1 1 89 89 ALA CA C 13 52.124 0.25 . 1 . . . A 517 ALA CA . 19214 1 771 . 1 1 89 89 ALA CB C 13 20.974 0.25 . 1 . . . A 517 ALA CB . 19214 1 772 . 1 1 89 89 ALA N N 15 121.471 0.25 . 1 . . . A 517 ALA N . 19214 1 773 . 1 1 90 90 GLY HA3 H 1 3.818 0.04 . 1 . . . A 518 GLY HA3 . 19214 1 774 . 1 1 90 90 GLY C C 13 175.423 0.25 . 1 . . . A 518 GLY C . 19214 1 775 . 1 1 90 90 GLY CA C 13 46.692 0.25 . 1 . . . A 518 GLY CA . 19214 1 776 . 1 1 91 91 LEU H H 1 8.531 0.04 . 1 . . . A 519 LEU H . 19214 1 777 . 1 1 91 91 LEU HA H 1 4.348 0.04 . 1 . . . A 519 LEU HA . 19214 1 778 . 1 1 91 91 LEU HB2 H 1 1.450 0.04 . 1 . . . A 519 LEU HB2 . 19214 1 779 . 1 1 91 91 LEU HB3 H 1 1.550 0.04 . 1 . . . A 519 LEU HB3 . 19214 1 780 . 1 1 91 91 LEU HG H 1 0.690 0.04 . 1 . . . A 519 LEU HG . 19214 1 781 . 1 1 91 91 LEU HD11 H 1 0.490 0.04 . 1 . . . A 519 LEU HD11 . 19214 1 782 . 1 1 91 91 LEU HD12 H 1 0.490 0.04 . 1 . . . A 519 LEU HD12 . 19214 1 783 . 1 1 91 91 LEU HD13 H 1 0.490 0.04 . 1 . . . A 519 LEU HD13 . 19214 1 784 . 1 1 91 91 LEU HD21 H 1 0.370 0.04 . 1 . . . A 519 LEU HD21 . 19214 1 785 . 1 1 91 91 LEU HD22 H 1 0.370 0.04 . 1 . . . A 519 LEU HD22 . 19214 1 786 . 1 1 91 91 LEU HD23 H 1 0.370 0.04 . 1 . . . A 519 LEU HD23 . 19214 1 787 . 1 1 91 91 LEU C C 13 177.704 0.25 . 1 . . . A 519 LEU C . 19214 1 788 . 1 1 91 91 LEU CA C 13 54.535 0.25 . 1 . . . A 519 LEU CA . 19214 1 789 . 1 1 91 91 LEU CB C 13 41.174 0.25 . 1 . . . A 519 LEU CB . 19214 1 790 . 1 1 91 91 LEU N N 15 119.857 0.25 . 1 . . . A 519 LEU N . 19214 1 791 . 1 1 92 92 THR H H 1 9.352 0.04 . 1 . . . A 520 THR H . 19214 1 792 . 1 1 92 92 THR HA H 1 4.260 0.04 . 1 . . . A 520 THR HA . 19214 1 793 . 1 1 92 92 THR HB H 1 4.360 0.04 . 1 . . . A 520 THR HB . 19214 1 794 . 1 1 92 92 THR HG21 H 1 1.460 0.04 . 1 . . . A 520 THR HG21 . 19214 1 795 . 1 1 92 92 THR HG22 H 1 1.460 0.04 . 1 . . . A 520 THR HG22 . 19214 1 796 . 1 1 92 92 THR HG23 H 1 1.460 0.04 . 1 . . . A 520 THR HG23 . 19214 1 797 . 1 1 92 92 THR CA C 13 61.653 0.25 . 1 . . . A 520 THR CA . 19214 1 798 . 1 1 92 92 THR CB C 13 71.260 0.25 . 1 . . . A 520 THR CB . 19214 1 799 . 1 1 92 92 THR CG2 C 13 23.000 0.25 . 1 . . . A 520 THR CG2 . 19214 1 800 . 1 1 92 92 THR N N 15 113.386 0.25 . 1 . . . A 520 THR N . 19214 1 801 . 1 1 94 94 CYS HA H 1 4.385 0.04 . 1 . . . A 522 CYS HA . 19214 1 802 . 1 1 94 94 CYS HB2 H 1 2.420 0.04 . 1 . . . A 522 CYS HB2 . 19214 1 803 . 1 1 94 94 CYS HB3 H 1 3.430 0.04 . 1 . . . A 522 CYS HB3 . 19214 1 804 . 1 1 94 94 CYS C C 13 175.903 0.25 . 1 . . . A 522 CYS C . 19214 1 805 . 1 1 94 94 CYS CA C 13 58.664 0.25 . 1 . . . A 522 CYS CA . 19214 1 806 . 1 1 94 94 CYS CB C 13 31.785 0.25 . 1 . . . A 522 CYS CB . 19214 1 807 . 1 1 95 95 HIS H H 1 7.210 0.04 . 1 . . . A 523 HIS H . 19214 1 808 . 1 1 95 95 HIS HA H 1 4.430 0.04 . 1 . . . A 523 HIS HA . 19214 1 809 . 1 1 95 95 HIS HB2 H 1 2.090 0.04 . 1 . . . A 523 HIS HB2 . 19214 1 810 . 1 1 95 95 HIS HB3 H 1 3.160 0.04 . 1 . . . A 523 HIS HB3 . 19214 1 811 . 1 1 95 95 HIS HD2 H 1 6.230 0.04 . 1 . . . A 523 HIS HD2 . 19214 1 812 . 1 1 95 95 HIS HE1 H 1 7.280 0.04 . 1 . . . A 523 HIS HE1 . 19214 1 813 . 1 1 95 95 HIS C C 13 178.292 0.25 . 1 . . . A 523 HIS C . 19214 1 814 . 1 1 95 95 HIS CA C 13 55.874 0.25 . 1 . . . A 523 HIS CA . 19214 1 815 . 1 1 95 95 HIS CB C 13 33.792 0.25 . 1 . . . A 523 HIS CB . 19214 1 816 . 1 1 95 95 HIS CD2 C 13 113.600 0.25 . 1 . . . A 523 HIS CD2 . 19214 1 817 . 1 1 95 95 HIS CE1 C 13 138.000 0.25 . 1 . . . A 523 HIS CE1 . 19214 1 818 . 1 1 95 95 HIS N N 15 125.416 0.25 . 1 . . . A 523 HIS N . 19214 1 819 . 1 1 96 96 LEU H H 1 8.407 0.04 . 1 . . . A 524 LEU H . 19214 1 820 . 1 1 96 96 LEU HA H 1 3.447 0.04 . 1 . . . A 524 LEU HA . 19214 1 821 . 1 1 96 96 LEU HB2 H 1 1.113 0.04 . 1 . . . A 524 LEU HB2 . 19214 1 822 . 1 1 96 96 LEU HB3 H 1 1.770 0.04 . 1 . . . A 524 LEU HB3 . 19214 1 823 . 1 1 96 96 LEU HG H 1 1.330 0.04 . 1 . . . A 524 LEU HG . 19214 1 824 . 1 1 96 96 LEU HD11 H 1 0.673 0.04 . 1 . . . A 524 LEU HD11 . 19214 1 825 . 1 1 96 96 LEU HD12 H 1 0.673 0.04 . 1 . . . A 524 LEU HD12 . 19214 1 826 . 1 1 96 96 LEU HD13 H 1 0.673 0.04 . 1 . . . A 524 LEU HD13 . 19214 1 827 . 1 1 96 96 LEU HD21 H 1 0.439 0.04 . 1 . . . A 524 LEU HD21 . 19214 1 828 . 1 1 96 96 LEU HD22 H 1 0.439 0.04 . 1 . . . A 524 LEU HD22 . 19214 1 829 . 1 1 96 96 LEU HD23 H 1 0.439 0.04 . 1 . . . A 524 LEU HD23 . 19214 1 830 . 1 1 96 96 LEU C C 13 179.772 0.25 . 1 . . . A 524 LEU C . 19214 1 831 . 1 1 96 96 LEU CA C 13 58.643 0.25 . 1 . . . A 524 LEU CA . 19214 1 832 . 1 1 96 96 LEU CB C 13 41.395 0.25 . 1 . . . A 524 LEU CB . 19214 1 833 . 1 1 96 96 LEU CG C 13 26.600 0.25 . 1 . . . A 524 LEU CG . 19214 1 834 . 1 1 96 96 LEU CD1 C 13 25.200 0.25 . 1 . . . A 524 LEU CD1 . 19214 1 835 . 1 1 96 96 LEU CD2 C 13 24.000 0.25 . 1 . . . A 524 LEU CD2 . 19214 1 836 . 1 1 96 96 LEU N N 15 120.382 0.25 . 1 . . . A 524 LEU N . 19214 1 837 . 1 1 97 97 ASN H H 1 8.540 0.04 . 1 . . . A 525 ASN H . 19214 1 838 . 1 1 97 97 ASN HA H 1 4.474 0.04 . 1 . . . A 525 ASN HA . 19214 1 839 . 1 1 97 97 ASN HB3 H 1 2.722 0.04 . 1 . . . A 525 ASN HB3 . 19214 1 840 . 1 1 97 97 ASN HD21 H 1 7.630 0.04 . 1 . . . A 525 ASN HD21 . 19214 1 841 . 1 1 97 97 ASN HD22 H 1 7.040 0.04 . 1 . . . A 525 ASN HD22 . 19214 1 842 . 1 1 97 97 ASN C C 13 176.493 0.25 . 1 . . . A 525 ASN C . 19214 1 843 . 1 1 97 97 ASN CA C 13 55.154 0.25 . 1 . . . A 525 ASN CA . 19214 1 844 . 1 1 97 97 ASN CB C 13 38.056 0.25 . 1 . . . A 525 ASN CB . 19214 1 845 . 1 1 97 97 ASN N N 15 115.617 0.25 . 1 . . . A 525 ASN N . 19214 1 846 . 1 1 97 97 ASN ND2 N 15 112.500 0.25 . 1 . . . A 525 ASN ND2 . 19214 1 847 . 1 1 98 98 GLN H H 1 7.492 0.04 . 1 . . . A 526 GLN H . 19214 1 848 . 1 1 98 98 GLN HA H 1 4.004 0.04 . 1 . . . A 526 GLN HA . 19214 1 849 . 1 1 98 98 GLN HE21 H 1 7.520 0.04 . 1 . . . A 526 GLN HE21 . 19214 1 850 . 1 1 98 98 GLN HE22 H 1 6.850 0.04 . 1 . . . A 526 GLN HE22 . 19214 1 851 . 1 1 98 98 GLN C C 13 175.549 0.25 . 1 . . . A 526 GLN C . 19214 1 852 . 1 1 98 98 GLN CA C 13 57.483 0.25 . 1 . . . A 526 GLN CA . 19214 1 853 . 1 1 98 98 GLN CB C 13 29.433 0.25 . 1 . . . A 526 GLN CB . 19214 1 854 . 1 1 98 98 GLN CG C 13 33.600 0.25 . 1 . . . A 526 GLN CG . 19214 1 855 . 1 1 98 98 GLN N N 15 116.828 0.25 . 1 . . . A 526 GLN N . 19214 1 856 . 1 1 98 98 GLN NE2 N 15 112.500 0.25 . 1 . . . A 526 GLN NE2 . 19214 1 857 . 1 1 99 99 LEU H H 1 6.803 0.04 . 1 . . . A 527 LEU H . 19214 1 858 . 1 1 99 99 LEU HA H 1 4.064 0.04 . 1 . . . A 527 LEU HA . 19214 1 859 . 1 1 99 99 LEU HB2 H 1 0.760 0.04 . 1 . . . A 527 LEU HB2 . 19214 1 860 . 1 1 99 99 LEU HB3 H 1 1.250 0.04 . 1 . . . A 527 LEU HB3 . 19214 1 861 . 1 1 99 99 LEU HG H 1 1.310 0.04 . 1 . . . A 527 LEU HG . 19214 1 862 . 1 1 99 99 LEU HD11 H 1 0.510 0.04 . 1 . . . A 527 LEU HD11 . 19214 1 863 . 1 1 99 99 LEU HD12 H 1 0.510 0.04 . 1 . . . A 527 LEU HD12 . 19214 1 864 . 1 1 99 99 LEU HD13 H 1 0.510 0.04 . 1 . . . A 527 LEU HD13 . 19214 1 865 . 1 1 99 99 LEU HD21 H 1 0.110 0.04 . 1 . . . A 527 LEU HD21 . 19214 1 866 . 1 1 99 99 LEU HD22 H 1 0.110 0.04 . 1 . . . A 527 LEU HD22 . 19214 1 867 . 1 1 99 99 LEU HD23 H 1 0.110 0.04 . 1 . . . A 527 LEU HD23 . 19214 1 868 . 1 1 99 99 LEU C C 13 178.808 0.25 . 1 . . . A 527 LEU C . 19214 1 869 . 1 1 99 99 LEU CA C 13 55.460 0.25 . 1 . . . A 527 LEU CA . 19214 1 870 . 1 1 99 99 LEU CB C 13 43.643 0.25 . 1 . . . A 527 LEU CB . 19214 1 871 . 1 1 99 99 LEU CG C 13 26.100 0.25 . 1 . . . A 527 LEU CG . 19214 1 872 . 1 1 99 99 LEU CD1 C 13 22.700 0.25 . 1 . . . A 527 LEU CD1 . 19214 1 873 . 1 1 99 99 LEU CD2 C 13 25.200 0.25 . 1 . . . A 527 LEU CD2 . 19214 1 874 . 1 1 99 99 LEU N N 15 115.200 0.25 . 1 . . . A 527 LEU N . 19214 1 875 . 1 1 100 100 ARG H H 1 8.763 0.04 . 1 . . . A 528 ARG H . 19214 1 876 . 1 1 100 100 ARG HA H 1 4.230 0.04 . 1 . . . A 528 ARG HA . 19214 1 877 . 1 1 100 100 ARG HB2 H 1 1.690 0.04 . 1 . . . A 528 ARG HB2 . 19214 1 878 . 1 1 100 100 ARG HB3 H 1 1.930 0.04 . 1 . . . A 528 ARG HB3 . 19214 1 879 . 1 1 100 100 ARG HD2 H 1 3.240 0.04 . 1 . . . A 528 ARG HD2 . 19214 1 880 . 1 1 100 100 ARG HD3 H 1 3.600 0.04 . 1 . . . A 528 ARG HD3 . 19214 1 881 . 1 1 100 100 ARG CA C 13 61.240 0.25 . 1 . . . A 528 ARG CA . 19214 1 882 . 1 1 100 100 ARG CB C 13 28.670 0.25 . 1 . . . A 528 ARG CB . 19214 1 883 . 1 1 100 100 ARG N N 15 121.174 0.25 . 1 . . . A 528 ARG N . 19214 1 884 . 1 1 101 101 PRO HA H 1 4.397 0.04 . 1 . . . A 529 PRO HA . 19214 1 885 . 1 1 101 101 PRO HB2 H 1 1.620 0.04 . 1 . . . A 529 PRO HB2 . 19214 1 886 . 1 1 101 101 PRO HB3 H 1 2.320 0.04 . 1 . . . A 529 PRO HB3 . 19214 1 887 . 1 1 101 101 PRO HG3 H 1 1.900 0.04 . 1 . . . A 529 PRO HG3 . 19214 1 888 . 1 1 101 101 PRO C C 13 176.672 0.25 . 1 . . . A 529 PRO C . 19214 1 889 . 1 1 101 101 PRO CA C 13 65.693 0.25 . 1 . . . A 529 PRO CA . 19214 1 890 . 1 1 101 101 PRO CB C 13 30.983 0.25 . 1 . . . A 529 PRO CB . 19214 1 891 . 1 1 101 101 PRO CG C 13 28.200 0.25 . 1 . . . A 529 PRO CG . 19214 1 892 . 1 1 102 102 LEU H H 1 6.762 0.04 . 1 . . . A 530 LEU H . 19214 1 893 . 1 1 102 102 LEU HA H 1 4.198 0.04 . 1 . . . A 530 LEU HA . 19214 1 894 . 1 1 102 102 LEU HB2 H 1 1.387 0.04 . 1 . . . A 530 LEU HB2 . 19214 1 895 . 1 1 102 102 LEU HB3 H 1 1.660 0.04 . 1 . . . A 530 LEU HB3 . 19214 1 896 . 1 1 102 102 LEU HG H 1 0.880 0.04 . 1 . . . A 530 LEU HG . 19214 1 897 . 1 1 102 102 LEU HD21 H 1 0.648 0.04 . 1 . . . A 530 LEU HD21 . 19214 1 898 . 1 1 102 102 LEU HD22 H 1 0.648 0.04 . 1 . . . A 530 LEU HD22 . 19214 1 899 . 1 1 102 102 LEU HD23 H 1 0.648 0.04 . 1 . . . A 530 LEU HD23 . 19214 1 900 . 1 1 102 102 LEU C C 13 176.746 0.25 . 1 . . . A 530 LEU C . 19214 1 901 . 1 1 102 102 LEU CA C 13 53.564 0.25 . 1 . . . A 530 LEU CA . 19214 1 902 . 1 1 102 102 LEU CB C 13 42.143 0.25 . 1 . . . A 530 LEU CB . 19214 1 903 . 1 1 102 102 LEU CG C 13 26.848 0.25 . 1 . . . A 530 LEU CG . 19214 1 904 . 1 1 102 102 LEU CD2 C 13 22.633 0.25 . 1 . . . A 530 LEU CD2 . 19214 1 905 . 1 1 102 102 LEU N N 15 112.952 0.25 . 1 . . . A 530 LEU N . 19214 1 906 . 1 1 103 103 LYS H H 1 8.319 0.04 . 1 . . . A 531 LYS H . 19214 1 907 . 1 1 103 103 LYS HA H 1 3.921 0.04 . 1 . . . A 531 LYS HA . 19214 1 908 . 1 1 103 103 LYS HB2 H 1 2.148 0.04 . 1 . . . A 531 LYS HB2 . 19214 1 909 . 1 1 103 103 LYS HB3 H 1 2.252 0.04 . 1 . . . A 531 LYS HB3 . 19214 1 910 . 1 1 103 103 LYS HG2 H 1 1.310 0.04 . 1 . . . A 531 LYS HG2 . 19214 1 911 . 1 1 103 103 LYS HG3 H 1 1.530 0.04 . 1 . . . A 531 LYS HG3 . 19214 1 912 . 1 1 103 103 LYS HD2 H 1 1.740 0.04 . 1 . . . A 531 LYS HD2 . 19214 1 913 . 1 1 103 103 LYS HD3 H 1 1.900 0.04 . 1 . . . A 531 LYS HD3 . 19214 1 914 . 1 1 103 103 LYS HE3 H 1 3.020 0.04 . 1 . . . A 531 LYS HE3 . 19214 1 915 . 1 1 103 103 LYS C C 13 173.427 0.25 . 1 . . . A 531 LYS C . 19214 1 916 . 1 1 103 103 LYS CA C 13 56.732 0.25 . 1 . . . A 531 LYS CA . 19214 1 917 . 1 1 103 103 LYS CB C 13 28.329 0.25 . 1 . . . A 531 LYS CB . 19214 1 918 . 1 1 103 103 LYS CG C 13 25.500 0.25 . 1 . . . A 531 LYS CG . 19214 1 919 . 1 1 103 103 LYS CD C 13 29.100 0.25 . 1 . . . A 531 LYS CD . 19214 1 920 . 1 1 103 103 LYS CE C 13 42.600 0.25 . 1 . . . A 531 LYS CE . 19214 1 921 . 1 1 103 103 LYS N N 15 114.491 0.25 . 1 . . . A 531 LYS N . 19214 1 922 . 1 1 104 104 VAL H H 1 6.295 0.04 . 1 . . . A 532 VAL H . 19214 1 923 . 1 1 104 104 VAL HA H 1 2.631 0.04 . 1 . . . A 532 VAL HA . 19214 1 924 . 1 1 104 104 VAL HB H 1 1.216 0.04 . 1 . . . A 532 VAL HB . 19214 1 925 . 1 1 104 104 VAL HG11 H 1 0.306 0.04 . 1 . . . A 532 VAL HG11 . 19214 1 926 . 1 1 104 104 VAL HG12 H 1 0.306 0.04 . 1 . . . A 532 VAL HG12 . 19214 1 927 . 1 1 104 104 VAL HG13 H 1 0.306 0.04 . 1 . . . A 532 VAL HG13 . 19214 1 928 . 1 1 104 104 VAL HG21 H 1 -0.192 0.04 . 1 . . . A 532 VAL HG21 . 19214 1 929 . 1 1 104 104 VAL HG22 H 1 -0.192 0.04 . 1 . . . A 532 VAL HG22 . 19214 1 930 . 1 1 104 104 VAL HG23 H 1 -0.192 0.04 . 1 . . . A 532 VAL HG23 . 19214 1 931 . 1 1 104 104 VAL C C 13 174.660 0.25 . 1 . . . A 532 VAL C . 19214 1 932 . 1 1 104 104 VAL CA C 13 65.644 0.25 . 1 . . . A 532 VAL CA . 19214 1 933 . 1 1 104 104 VAL CB C 13 32.120 0.25 . 1 . . . A 532 VAL CB . 19214 1 934 . 1 1 104 104 VAL CG1 C 13 21.300 0.25 . 1 . . . A 532 VAL CG1 . 19214 1 935 . 1 1 104 104 VAL CG2 C 13 21.900 0.25 . 1 . . . A 532 VAL CG2 . 19214 1 936 . 1 1 104 104 VAL N N 15 114.641 0.25 . 1 . . . A 532 VAL N . 19214 1 937 . 1 1 105 105 ARG H H 1 8.446 0.04 . 1 . . . A 533 ARG H . 19214 1 938 . 1 1 105 105 ARG HA H 1 4.473 0.04 . 1 . . . A 533 ARG HA . 19214 1 939 . 1 1 105 105 ARG HB3 H 1 1.391 0.04 . 1 . . . A 533 ARG HB3 . 19214 1 940 . 1 1 105 105 ARG C C 13 173.734 0.25 . 1 . . . A 533 ARG C . 19214 1 941 . 1 1 105 105 ARG CA C 13 55.062 0.25 . 1 . . . A 533 ARG CA . 19214 1 942 . 1 1 105 105 ARG CB C 13 30.163 0.25 . 1 . . . A 533 ARG CB . 19214 1 943 . 1 1 105 105 ARG N N 15 120.970 0.25 . 1 . . . A 533 ARG N . 19214 1 944 . 1 1 106 106 ALA H H 1 8.477 0.04 . 1 . . . A 534 ALA H . 19214 1 945 . 1 1 106 106 ALA HA H 1 4.842 0.04 . 1 . . . A 534 ALA HA . 19214 1 946 . 1 1 106 106 ALA HB1 H 1 1.677 0.04 . 1 . . . A 534 ALA HB1 . 19214 1 947 . 1 1 106 106 ALA HB2 H 1 1.677 0.04 . 1 . . . A 534 ALA HB2 . 19214 1 948 . 1 1 106 106 ALA HB3 H 1 1.677 0.04 . 1 . . . A 534 ALA HB3 . 19214 1 949 . 1 1 106 106 ALA C C 13 176.821 0.25 . 1 . . . A 534 ALA C . 19214 1 950 . 1 1 106 106 ALA CA C 13 51.093 0.25 . 1 . . . A 534 ALA CA . 19214 1 951 . 1 1 106 106 ALA CB C 13 24.474 0.25 . 1 . . . A 534 ALA CB . 19214 1 952 . 1 1 106 106 ALA N N 15 123.443 0.25 . 1 . . . A 534 ALA N . 19214 1 953 . 1 1 107 107 ASN H H 1 8.910 0.04 . 1 . . . A 535 ASN H . 19214 1 954 . 1 1 107 107 ASN HA H 1 5.709 0.04 . 1 . . . A 535 ASN HA . 19214 1 955 . 1 1 107 107 ASN HB2 H 1 1.861 0.04 . 1 . . . A 535 ASN HB2 . 19214 1 956 . 1 1 107 107 ASN HB3 H 1 2.683 0.04 . 1 . . . A 535 ASN HB3 . 19214 1 957 . 1 1 107 107 ASN HD21 H 1 6.570 0.04 . 1 . . . A 535 ASN HD21 . 19214 1 958 . 1 1 107 107 ASN HD22 H 1 6.330 0.04 . 1 . . . A 535 ASN HD22 . 19214 1 959 . 1 1 107 107 ASN C C 13 171.453 0.25 . 1 . . . A 535 ASN C . 19214 1 960 . 1 1 107 107 ASN CA C 13 52.188 0.25 . 1 . . . A 535 ASN CA . 19214 1 961 . 1 1 107 107 ASN CB C 13 44.081 0.25 . 1 . . . A 535 ASN CB . 19214 1 962 . 1 1 107 107 ASN N N 15 121.981 0.25 . 1 . . . A 535 ASN N . 19214 1 963 . 1 1 107 107 ASN ND2 N 15 105.800 0.25 . 1 . . . A 535 ASN ND2 . 19214 1 964 . 1 1 108 108 LEU H H 1 9.242 0.04 . 1 . . . A 536 LEU H . 19214 1 965 . 1 1 108 108 LEU HA H 1 5.104 0.04 . 1 . . . A 536 LEU HA . 19214 1 966 . 1 1 108 108 LEU HB2 H 1 -1.020 0.04 . 1 . . . A 536 LEU HB2 . 19214 1 967 . 1 1 108 108 LEU HB3 H 1 0.587 0.04 . 1 . . . A 536 LEU HB3 . 19214 1 968 . 1 1 108 108 LEU HG H 1 0.950 0.04 . 1 . . . A 536 LEU HG . 19214 1 969 . 1 1 108 108 LEU HD11 H 1 0.472 0.04 . 1 . . . A 536 LEU HD11 . 19214 1 970 . 1 1 108 108 LEU HD12 H 1 0.472 0.04 . 1 . . . A 536 LEU HD12 . 19214 1 971 . 1 1 108 108 LEU HD13 H 1 0.472 0.04 . 1 . . . A 536 LEU HD13 . 19214 1 972 . 1 1 108 108 LEU HD21 H 1 -0.460 0.04 . 1 . . . A 536 LEU HD21 . 19214 1 973 . 1 1 108 108 LEU HD22 H 1 -0.460 0.04 . 1 . . . A 536 LEU HD22 . 19214 1 974 . 1 1 108 108 LEU HD23 H 1 -0.460 0.04 . 1 . . . A 536 LEU HD23 . 19214 1 975 . 1 1 108 108 LEU C C 13 173.245 0.25 . 1 . . . A 536 LEU C . 19214 1 976 . 1 1 108 108 LEU CA C 13 53.812 0.25 . 1 . . . A 536 LEU CA . 19214 1 977 . 1 1 108 108 LEU CB C 13 41.977 0.25 . 1 . . . A 536 LEU CB . 19214 1 978 . 1 1 108 108 LEU CG C 13 26.800 0.25 . 1 . . . A 536 LEU CG . 19214 1 979 . 1 1 108 108 LEU CD1 C 13 23.900 0.25 . 1 . . . A 536 LEU CD1 . 19214 1 980 . 1 1 108 108 LEU CD2 C 13 25.800 0.25 . 1 . . . A 536 LEU CD2 . 19214 1 981 . 1 1 108 108 LEU N N 15 132.341 0.25 . 1 . . . A 536 LEU N . 19214 1 982 . 1 1 109 109 VAL H H 1 9.258 0.04 . 1 . . . A 537 VAL H . 19214 1 983 . 1 1 109 109 VAL HA H 1 4.580 0.04 . 1 . . . A 537 VAL HA . 19214 1 984 . 1 1 109 109 VAL HB H 1 2.235 0.04 . 1 . . . A 537 VAL HB . 19214 1 985 . 1 1 109 109 VAL HG11 H 1 0.682 0.04 . 1 . . . A 537 VAL HG11 . 19214 1 986 . 1 1 109 109 VAL HG12 H 1 0.682 0.04 . 1 . . . A 537 VAL HG12 . 19214 1 987 . 1 1 109 109 VAL HG13 H 1 0.682 0.04 . 1 . . . A 537 VAL HG13 . 19214 1 988 . 1 1 109 109 VAL HG21 H 1 0.581 0.04 . 1 . . . A 537 VAL HG21 . 19214 1 989 . 1 1 109 109 VAL HG22 H 1 0.581 0.04 . 1 . . . A 537 VAL HG22 . 19214 1 990 . 1 1 109 109 VAL HG23 H 1 0.581 0.04 . 1 . . . A 537 VAL HG23 . 19214 1 991 . 1 1 109 109 VAL C C 13 174.764 0.25 . 1 . . . A 537 VAL C . 19214 1 992 . 1 1 109 109 VAL CA C 13 61.450 0.25 . 1 . . . A 537 VAL CA . 19214 1 993 . 1 1 109 109 VAL CB C 13 35.260 0.25 . 1 . . . A 537 VAL CB . 19214 1 994 . 1 1 109 109 VAL CG1 C 13 19.830 0.25 . 1 . . . A 537 VAL CG1 . 19214 1 995 . 1 1 109 109 VAL CG2 C 13 23.596 0.25 . 1 . . . A 537 VAL CG2 . 19214 1 996 . 1 1 109 109 VAL N N 15 126.829 0.25 . 1 . . . A 537 VAL N . 19214 1 997 . 1 1 110 110 VAL H H 1 8.809 0.04 . 1 . . . A 538 VAL H . 19214 1 998 . 1 1 110 110 VAL HA H 1 5.240 0.04 . 1 . . . A 538 VAL HA . 19214 1 999 . 1 1 110 110 VAL HB H 1 2.170 0.04 . 1 . . . A 538 VAL HB . 19214 1 1000 . 1 1 110 110 VAL HG11 H 1 0.990 0.04 . 1 . . . A 538 VAL HG11 . 19214 1 1001 . 1 1 110 110 VAL HG12 H 1 0.990 0.04 . 1 . . . A 538 VAL HG12 . 19214 1 1002 . 1 1 110 110 VAL HG13 H 1 0.990 0.04 . 1 . . . A 538 VAL HG13 . 19214 1 1003 . 1 1 110 110 VAL HG21 H 1 0.750 0.04 . 1 . . . A 538 VAL HG21 . 19214 1 1004 . 1 1 110 110 VAL HG22 H 1 0.750 0.04 . 1 . . . A 538 VAL HG22 . 19214 1 1005 . 1 1 110 110 VAL HG23 H 1 0.750 0.04 . 1 . . . A 538 VAL HG23 . 19214 1 1006 . 1 1 110 110 VAL CA C 13 56.785 0.25 . 1 . . . A 538 VAL CA . 19214 1 1007 . 1 1 110 110 VAL CB C 13 33.470 0.25 . 1 . . . A 538 VAL CB . 19214 1 1008 . 1 1 110 110 VAL CG1 C 13 21.800 0.25 . 1 . . . A 538 VAL CG1 . 19214 1 1009 . 1 1 110 110 VAL CG2 C 13 21.800 0.25 . 1 . . . A 538 VAL CG2 . 19214 1 1010 . 1 1 110 110 VAL N N 15 120.280 0.25 . 1 . . . A 538 VAL N . 19214 1 1011 . 1 1 111 111 PRO HA H 1 4.756 0.04 . 1 . . . A 539 PRO HA . 19214 1 1012 . 1 1 111 111 PRO C C 13 175.826 0.25 . 1 . . . A 539 PRO C . 19214 1 1013 . 1 1 111 111 PRO CA C 13 62.754 0.25 . 1 . . . A 539 PRO CA . 19214 1 1014 . 1 1 111 111 PRO CB C 13 34.400 0.25 . 1 . . . A 539 PRO CB . 19214 1 1015 . 1 1 112 112 MET H H 1 8.360 0.04 . 1 . . . A 540 MET H . 19214 1 1016 . 1 1 112 112 MET HA H 1 4.397 0.04 . 1 . . . A 540 MET HA . 19214 1 1017 . 1 1 112 112 MET HG3 H 1 2.133 0.04 . 1 . . . A 540 MET HG3 . 19214 1 1018 . 1 1 112 112 MET HE1 H 1 1.730 0.04 . 1 . . . A 540 MET HE1 . 19214 1 1019 . 1 1 112 112 MET HE2 H 1 1.730 0.04 . 1 . . . A 540 MET HE2 . 19214 1 1020 . 1 1 112 112 MET HE3 H 1 1.730 0.04 . 1 . . . A 540 MET HE3 . 19214 1 1021 . 1 1 112 112 MET C C 13 173.839 0.25 . 1 . . . A 540 MET C . 19214 1 1022 . 1 1 112 112 MET CA C 13 55.758 0.25 . 1 . . . A 540 MET CA . 19214 1 1023 . 1 1 112 112 MET CB C 13 34.217 0.25 . 1 . . . A 540 MET CB . 19214 1 1024 . 1 1 112 112 MET CE C 13 16.300 0.25 . 1 . . . A 540 MET CE . 19214 1 1025 . 1 1 112 112 MET N N 15 118.724 0.25 . 1 . . . A 540 MET N . 19214 1 1026 . 1 1 113 113 VAL H H 1 8.383 0.04 . 1 . . . A 541 VAL H . 19214 1 1027 . 1 1 113 113 VAL HA H 1 5.100 0.04 . 1 . . . A 541 VAL HA . 19214 1 1028 . 1 1 113 113 VAL HB H 1 1.920 0.04 . 1 . . . A 541 VAL HB . 19214 1 1029 . 1 1 113 113 VAL HG11 H 1 0.838 0.04 . 1 . . . A 541 VAL HG11 . 19214 1 1030 . 1 1 113 113 VAL HG12 H 1 0.838 0.04 . 1 . . . A 541 VAL HG12 . 19214 1 1031 . 1 1 113 113 VAL HG13 H 1 0.838 0.04 . 1 . . . A 541 VAL HG13 . 19214 1 1032 . 1 1 113 113 VAL HG21 H 1 0.910 0.04 . 1 . . . A 541 VAL HG21 . 19214 1 1033 . 1 1 113 113 VAL HG22 H 1 0.910 0.04 . 1 . . . A 541 VAL HG22 . 19214 1 1034 . 1 1 113 113 VAL HG23 H 1 0.910 0.04 . 1 . . . A 541 VAL HG23 . 19214 1 1035 . 1 1 113 113 VAL C C 13 174.569 0.25 . 1 . . . A 541 VAL C . 19214 1 1036 . 1 1 113 113 VAL CA C 13 60.526 0.25 . 1 . . . A 541 VAL CA . 19214 1 1037 . 1 1 113 113 VAL CB C 13 34.461 0.25 . 1 . . . A 541 VAL CB . 19214 1 1038 . 1 1 113 113 VAL CG1 C 13 20.200 0.25 . 1 . . . A 541 VAL CG1 . 19214 1 1039 . 1 1 113 113 VAL CG2 C 13 21.600 0.25 . 1 . . . A 541 VAL CG2 . 19214 1 1040 . 1 1 113 113 VAL N N 15 125.320 0.25 . 1 . . . A 541 VAL N . 19214 1 1041 . 1 1 114 114 ILE H H 1 8.470 0.04 . 1 . . . A 542 ILE H . 19214 1 1042 . 1 1 114 114 ILE HA H 1 4.256 0.04 . 1 . . . A 542 ILE HA . 19214 1 1043 . 1 1 114 114 ILE HB H 1 1.620 0.04 . 1 . . . A 542 ILE HB . 19214 1 1044 . 1 1 114 114 ILE HG12 H 1 1.040 0.04 . 1 . . . A 542 ILE HG12 . 19214 1 1045 . 1 1 114 114 ILE HG13 H 1 1.380 0.04 . 1 . . . A 542 ILE HG13 . 19214 1 1046 . 1 1 114 114 ILE HG21 H 1 0.720 0.04 . 1 . . . A 542 ILE HG21 . 19214 1 1047 . 1 1 114 114 ILE HG22 H 1 0.720 0.04 . 1 . . . A 542 ILE HG22 . 19214 1 1048 . 1 1 114 114 ILE HG23 H 1 0.720 0.04 . 1 . . . A 542 ILE HG23 . 19214 1 1049 . 1 1 114 114 ILE HD11 H 1 0.530 0.04 . 1 . . . A 542 ILE HD11 . 19214 1 1050 . 1 1 114 114 ILE HD12 H 1 0.530 0.04 . 1 . . . A 542 ILE HD12 . 19214 1 1051 . 1 1 114 114 ILE HD13 H 1 0.530 0.04 . 1 . . . A 542 ILE HD13 . 19214 1 1052 . 1 1 114 114 ILE C C 13 175.815 0.25 . 1 . . . A 542 ILE C . 19214 1 1053 . 1 1 114 114 ILE CA C 13 60.441 0.25 . 1 . . . A 542 ILE CA . 19214 1 1054 . 1 1 114 114 ILE CB C 13 41.219 0.25 . 1 . . . A 542 ILE CB . 19214 1 1055 . 1 1 114 114 ILE CG1 C 13 27.900 0.25 . 1 . . . A 542 ILE CG1 . 19214 1 1056 . 1 1 114 114 ILE CG2 C 13 17.100 0.25 . 1 . . . A 542 ILE CG2 . 19214 1 1057 . 1 1 114 114 ILE CD1 C 13 14.200 0.25 . 1 . . . A 542 ILE CD1 . 19214 1 1058 . 1 1 114 114 ILE N N 15 125.677 0.25 . 1 . . . A 542 ILE N . 19214 1 1059 . 1 1 115 115 ASP H H 1 9.650 0.04 . 1 . . . A 543 ASP H . 19214 1 1060 . 1 1 115 115 ASP HA H 1 4.150 0.04 . 1 . . . A 543 ASP HA . 19214 1 1061 . 1 1 115 115 ASP HB3 H 1 2.910 0.04 . 1 . . . A 543 ASP HB3 . 19214 1 1062 . 1 1 115 115 ASP CA C 13 56.014 0.25 . 1 . . . A 543 ASP CA . 19214 1 1063 . 1 1 115 115 ASP CB C 13 39.515 0.25 . 1 . . . A 543 ASP CB . 19214 1 1064 . 1 1 115 115 ASP N N 15 130.204 0.25 . 1 . . . A 543 ASP N . 19214 1 1065 . 1 1 116 116 ASP HA H 1 4.180 0.04 . 1 . . . A 544 ASP HA . 19214 1 1066 . 1 1 116 116 ASP HB2 H 1 2.690 0.04 . 1 . . . A 544 ASP HB2 . 19214 1 1067 . 1 1 116 116 ASP HB3 H 1 2.790 0.04 . 1 . . . A 544 ASP HB3 . 19214 1 1068 . 1 1 116 116 ASP C C 13 174.473 0.25 . 1 . . . A 544 ASP C . 19214 1 1069 . 1 1 116 116 ASP CA C 13 55.500 0.25 . 1 . . . A 544 ASP CA . 19214 1 1070 . 1 1 116 116 ASP CB C 13 40.941 0.25 . 1 . . . A 544 ASP CB . 19214 1 1071 . 1 1 117 117 GLN H H 1 7.868 0.04 . 1 . . . A 545 GLN H . 19214 1 1072 . 1 1 117 117 GLN CA C 13 53.533 0.25 . 1 . . . A 545 GLN CA . 19214 1 1073 . 1 1 117 117 GLN N N 15 117.251 0.25 . 1 . . . A 545 GLN N . 19214 1 1074 . 1 1 118 118 LEU C C 13 174.500 0.25 . 1 . . . A 546 LEU C . 19214 1 1075 . 1 1 119 119 PHE H H 1 9.120 0.04 . 1 . . . A 547 PHE H . 19214 1 1076 . 1 1 119 119 PHE HA H 1 4.650 0.04 . 1 . . . A 547 PHE HA . 19214 1 1077 . 1 1 119 119 PHE HB2 H 1 2.980 0.04 . 1 . . . A 547 PHE HB2 . 19214 1 1078 . 1 1 119 119 PHE HB3 H 1 3.070 0.04 . 1 . . . A 547 PHE HB3 . 19214 1 1079 . 1 1 119 119 PHE HD1 H 1 7.160 0.04 . 1 . . . A 547 PHE HD1 . 19214 1 1080 . 1 1 119 119 PHE HE1 H 1 7.180 0.04 . 1 . . . A 547 PHE HE1 . 19214 1 1081 . 1 1 119 119 PHE C C 13 176.033 0.25 . 1 . . . A 547 PHE C . 19214 1 1082 . 1 1 119 119 PHE CA C 13 59.700 0.25 . 1 . . . A 547 PHE CA . 19214 1 1083 . 1 1 119 119 PHE CB C 13 40.800 0.25 . 1 . . . A 547 PHE CB . 19214 1 1084 . 1 1 119 119 PHE CD1 C 13 131.400 0.25 . 1 . . . A 547 PHE CD1 . 19214 1 1085 . 1 1 119 119 PHE CE1 C 13 129.500 0.25 . 1 . . . A 547 PHE CE1 . 19214 1 1086 . 1 1 119 119 PHE N N 15 130.200 0.25 . 1 . . . A 547 PHE N . 19214 1 1087 . 1 1 120 120 GLY H H 1 7.939 0.04 . 1 . . . A 548 GLY H . 19214 1 1088 . 1 1 120 120 GLY HA3 H 1 4.072 0.04 . 1 . . . A 548 GLY HA3 . 19214 1 1089 . 1 1 120 120 GLY C C 13 169.494 0.25 . 1 . . . A 548 GLY C . 19214 1 1090 . 1 1 120 120 GLY CA C 13 46.008 0.25 . 1 . . . A 548 GLY CA . 19214 1 1091 . 1 1 120 120 GLY N N 15 102.705 0.25 . 1 . . . A 548 GLY N . 19214 1 1092 . 1 1 121 121 LEU H H 1 9.279 0.04 . 1 . . . A 549 LEU H . 19214 1 1093 . 1 1 121 121 LEU HA H 1 4.870 0.04 . 1 . . . A 549 LEU HA . 19214 1 1094 . 1 1 121 121 LEU C C 13 173.746 0.25 . 1 . . . A 549 LEU C . 19214 1 1095 . 1 1 121 121 LEU CA C 13 53.108 0.25 . 1 . . . A 549 LEU CA . 19214 1 1096 . 1 1 121 121 LEU CB C 13 44.752 0.25 . 1 . . . A 549 LEU CB . 19214 1 1097 . 1 1 121 121 LEU CG C 13 26.500 0.25 . 1 . . . A 549 LEU CG . 19214 1 1098 . 1 1 121 121 LEU N N 15 118.437 0.25 . 1 . . . A 549 LEU N . 19214 1 1099 . 1 1 122 122 LEU H H 1 9.068 0.04 . 1 . . . A 550 LEU H . 19214 1 1100 . 1 1 122 122 LEU HA H 1 4.881 0.04 . 1 . . . A 550 LEU HA . 19214 1 1101 . 1 1 122 122 LEU HB2 H 1 0.866 0.04 . 1 . . . A 550 LEU HB2 . 19214 1 1102 . 1 1 122 122 LEU HB3 H 1 1.529 0.04 . 1 . . . A 550 LEU HB3 . 19214 1 1103 . 1 1 122 122 LEU HG H 1 1.120 0.04 . 1 . . . A 550 LEU HG . 19214 1 1104 . 1 1 122 122 LEU HD11 H 1 0.540 0.04 . 1 . . . A 550 LEU HD11 . 19214 1 1105 . 1 1 122 122 LEU HD12 H 1 0.540 0.04 . 1 . . . A 550 LEU HD12 . 19214 1 1106 . 1 1 122 122 LEU HD13 H 1 0.540 0.04 . 1 . . . A 550 LEU HD13 . 19214 1 1107 . 1 1 122 122 LEU HD21 H 1 -0.066 0.04 . 1 . . . A 550 LEU HD21 . 19214 1 1108 . 1 1 122 122 LEU HD22 H 1 -0.066 0.04 . 1 . . . A 550 LEU HD22 . 19214 1 1109 . 1 1 122 122 LEU HD23 H 1 -0.066 0.04 . 1 . . . A 550 LEU HD23 . 19214 1 1110 . 1 1 122 122 LEU C C 13 174.669 0.25 . 1 . . . A 550 LEU C . 19214 1 1111 . 1 1 122 122 LEU CA C 13 54.216 0.25 . 1 . . . A 550 LEU CA . 19214 1 1112 . 1 1 122 122 LEU CB C 13 42.954 0.25 . 1 . . . A 550 LEU CB . 19214 1 1113 . 1 1 122 122 LEU CG C 13 27.145 0.25 . 1 . . . A 550 LEU CG . 19214 1 1114 . 1 1 122 122 LEU CD1 C 13 24.335 0.25 . 1 . . . A 550 LEU CD1 . 19214 1 1115 . 1 1 122 122 LEU CD2 C 13 25.756 0.25 . 1 . . . A 550 LEU CD2 . 19214 1 1116 . 1 1 122 122 LEU N N 15 127.359 0.25 . 1 . . . A 550 LEU N . 19214 1 1117 . 1 1 123 123 ILE H H 1 8.584 0.04 . 1 . . . A 551 ILE H . 19214 1 1118 . 1 1 123 123 ILE HA H 1 5.234 0.04 . 1 . . . A 551 ILE HA . 19214 1 1119 . 1 1 123 123 ILE HB H 1 1.268 0.04 . 1 . . . A 551 ILE HB . 19214 1 1120 . 1 1 123 123 ILE HG12 H 1 0.910 0.04 . 1 . . . A 551 ILE HG12 . 19214 1 1121 . 1 1 123 123 ILE HG13 H 1 1.280 0.04 . 1 . . . A 551 ILE HG13 . 19214 1 1122 . 1 1 123 123 ILE HG21 H 1 0.470 0.04 . 1 . . . A 551 ILE HG21 . 19214 1 1123 . 1 1 123 123 ILE HG22 H 1 0.470 0.04 . 1 . . . A 551 ILE HG22 . 19214 1 1124 . 1 1 123 123 ILE HG23 H 1 0.470 0.04 . 1 . . . A 551 ILE HG23 . 19214 1 1125 . 1 1 123 123 ILE HD11 H 1 0.574 0.04 . 1 . . . A 551 ILE HD11 . 19214 1 1126 . 1 1 123 123 ILE HD12 H 1 0.574 0.04 . 1 . . . A 551 ILE HD12 . 19214 1 1127 . 1 1 123 123 ILE HD13 H 1 0.574 0.04 . 1 . . . A 551 ILE HD13 . 19214 1 1128 . 1 1 123 123 ILE C C 13 173.709 0.25 . 1 . . . A 551 ILE C . 19214 1 1129 . 1 1 123 123 ILE CA C 13 59.720 0.25 . 1 . . . A 551 ILE CA . 19214 1 1130 . 1 1 123 123 ILE CB C 13 42.210 0.25 . 1 . . . A 551 ILE CB . 19214 1 1131 . 1 1 123 123 ILE CG1 C 13 28.121 0.25 . 1 . . . A 551 ILE CG1 . 19214 1 1132 . 1 1 123 123 ILE CG2 C 13 17.199 0.25 . 1 . . . A 551 ILE CG2 . 19214 1 1133 . 1 1 123 123 ILE N N 15 126.177 0.25 . 1 . . . A 551 ILE N . 19214 1 1134 . 1 1 124 124 ALA H H 1 9.709 0.04 . 1 . . . A 552 ALA H . 19214 1 1135 . 1 1 124 124 ALA HA H 1 5.194 0.04 . 1 . . . A 552 ALA HA . 19214 1 1136 . 1 1 124 124 ALA HB1 H 1 0.776 0.04 . 1 . . . A 552 ALA HB1 . 19214 1 1137 . 1 1 124 124 ALA HB2 H 1 0.776 0.04 . 1 . . . A 552 ALA HB2 . 19214 1 1138 . 1 1 124 124 ALA HB3 H 1 0.776 0.04 . 1 . . . A 552 ALA HB3 . 19214 1 1139 . 1 1 124 124 ALA C C 13 175.549 0.25 . 1 . . . A 552 ALA C . 19214 1 1140 . 1 1 124 124 ALA CA C 13 49.380 0.25 . 1 . . . A 552 ALA CA . 19214 1 1141 . 1 1 124 124 ALA CB C 13 23.712 0.25 . 1 . . . A 552 ALA CB . 19214 1 1142 . 1 1 124 124 ALA N N 15 129.345 0.25 . 1 . . . A 552 ALA N . 19214 1 1143 . 1 1 125 125 HIS H H 1 9.151 0.04 . 1 . . . A 553 HIS H . 19214 1 1144 . 1 1 125 125 HIS HA H 1 6.162 0.04 . 1 . . . A 553 HIS HA . 19214 1 1145 . 1 1 125 125 HIS HB2 H 1 2.628 0.04 . 1 . . . A 553 HIS HB2 . 19214 1 1146 . 1 1 125 125 HIS HB3 H 1 2.965 0.04 . 1 . . . A 553 HIS HB3 . 19214 1 1147 . 1 1 125 125 HIS HD2 H 1 7.500 0.04 . 1 . . . A 553 HIS HD2 . 19214 1 1148 . 1 1 125 125 HIS HE1 H 1 6.920 0.04 . 1 . . . A 553 HIS HE1 . 19214 1 1149 . 1 1 125 125 HIS HE2 H 1 11.150 0.04 . 1 . . . A 553 HIS HE2 . 19214 1 1150 . 1 1 125 125 HIS C C 13 177.121 0.25 . 1 . . . A 553 HIS C . 19214 1 1151 . 1 1 125 125 HIS CA C 13 51.965 0.25 . 1 . . . A 553 HIS CA . 19214 1 1152 . 1 1 125 125 HIS CB C 13 36.593 0.25 . 1 . . . A 553 HIS CB . 19214 1 1153 . 1 1 125 125 HIS CD2 C 13 119.000 0.25 . 1 . . . A 553 HIS CD2 . 19214 1 1154 . 1 1 125 125 HIS CE1 C 13 133.900 0.25 . 1 . . . A 553 HIS CE1 . 19214 1 1155 . 1 1 125 125 HIS N N 15 115.303 0.25 . 1 . . . A 553 HIS N . 19214 1 1156 . 1 1 126 126 GLN H H 1 8.647 0.04 . 1 . . . A 554 GLN H . 19214 1 1157 . 1 1 126 126 GLN HA H 1 4.540 0.04 . 1 . . . A 554 GLN HA . 19214 1 1158 . 1 1 126 126 GLN HB2 H 1 2.140 0.04 . 1 . . . A 554 GLN HB2 . 19214 1 1159 . 1 1 126 126 GLN HB3 H 1 1.690 0.04 . 1 . . . A 554 GLN HB3 . 19214 1 1160 . 1 1 126 126 GLN HE21 H 1 6.990 0.04 . 1 . . . A 554 GLN HE21 . 19214 1 1161 . 1 1 126 126 GLN HE22 H 1 6.750 0.04 . 1 . . . A 554 GLN HE22 . 19214 1 1162 . 1 1 126 126 GLN C C 13 174.320 0.25 . 1 . . . A 554 GLN C . 19214 1 1163 . 1 1 126 126 GLN CA C 13 55.976 0.25 . 1 . . . A 554 GLN CA . 19214 1 1164 . 1 1 126 126 GLN CB C 13 30.828 0.25 . 1 . . . A 554 GLN CB . 19214 1 1165 . 1 1 126 126 GLN N N 15 124.107 0.25 . 1 . . . A 554 GLN N . 19214 1 1166 . 1 1 126 126 GLN NE2 N 15 111.100 0.25 . 1 . . . A 554 GLN NE2 . 19214 1 1167 . 1 1 127 127 ALA H H 1 11.550 0.04 . 1 . . . A 555 ALA H . 19214 1 1168 . 1 1 127 127 ALA HA H 1 4.617 0.04 . 1 . . . A 555 ALA HA . 19214 1 1169 . 1 1 127 127 ALA HB1 H 1 -0.103 0.04 . 1 . . . A 555 ALA HB1 . 19214 1 1170 . 1 1 127 127 ALA HB2 H 1 -0.103 0.04 . 1 . . . A 555 ALA HB2 . 19214 1 1171 . 1 1 127 127 ALA HB3 H 1 -0.103 0.04 . 1 . . . A 555 ALA HB3 . 19214 1 1172 . 1 1 127 127 ALA C C 13 177.422 0.25 . 1 . . . A 555 ALA C . 19214 1 1173 . 1 1 127 127 ALA CA C 13 52.406 0.25 . 1 . . . A 555 ALA CA . 19214 1 1174 . 1 1 127 127 ALA CB C 13 19.553 0.25 . 1 . . . A 555 ALA CB . 19214 1 1175 . 1 1 127 127 ALA N N 15 136.582 0.25 . 1 . . . A 555 ALA N . 19214 1 1176 . 1 1 128 128 SER H H 1 8.083 0.04 . 1 . . . A 556 SER H . 19214 1 1177 . 1 1 128 128 SER HA H 1 4.044 0.04 . 1 . . . A 556 SER HA . 19214 1 1178 . 1 1 128 128 SER HB2 H 1 4.090 0.04 . 1 . . . A 556 SER HB2 . 19214 1 1179 . 1 1 128 128 SER HB3 H 1 4.239 0.04 . 1 . . . A 556 SER HB3 . 19214 1 1180 . 1 1 128 128 SER C C 13 174.912 0.25 . 1 . . . A 556 SER C . 19214 1 1181 . 1 1 128 128 SER CA C 13 61.145 0.25 . 1 . . . A 556 SER CA . 19214 1 1182 . 1 1 128 128 SER CB C 13 62.905 0.25 . 1 . . . A 556 SER CB . 19214 1 1183 . 1 1 128 128 SER N N 15 111.945 0.25 . 1 . . . A 556 SER N . 19214 1 1184 . 1 1 129 129 GLU H H 1 7.318 0.04 . 1 . . . A 557 GLU H . 19214 1 1185 . 1 1 129 129 GLU CA C 13 53.900 0.25 . 1 . . . A 557 GLU CA . 19214 1 1186 . 1 1 129 129 GLU CB C 13 30.171 0.25 . 1 . . . A 557 GLU CB . 19214 1 1187 . 1 1 129 129 GLU N N 15 117.238 0.25 . 1 . . . A 557 GLU N . 19214 1 1188 . 1 1 130 130 PRO HA H 1 4.194 0.04 . 1 . . . A 558 PRO HA . 19214 1 1189 . 1 1 130 130 PRO HB2 H 1 1.621 0.04 . 1 . . . A 558 PRO HB2 . 19214 1 1190 . 1 1 130 130 PRO HB3 H 1 2.022 0.04 . 1 . . . A 558 PRO HB3 . 19214 1 1191 . 1 1 130 130 PRO HG3 H 1 1.950 0.04 . 1 . . . A 558 PRO HG3 . 19214 1 1192 . 1 1 130 130 PRO C C 13 174.855 0.25 . 1 . . . A 558 PRO C . 19214 1 1193 . 1 1 130 130 PRO CA C 13 62.915 0.25 . 1 . . . A 558 PRO CA . 19214 1 1194 . 1 1 130 130 PRO CB C 13 32.862 0.25 . 1 . . . A 558 PRO CB . 19214 1 1195 . 1 1 130 130 PRO CG C 13 28.114 0.25 . 1 . . . A 558 PRO CG . 19214 1 1196 . 1 1 131 131 ARG H H 1 7.836 0.04 . 1 . . . A 559 ARG H . 19214 1 1197 . 1 1 131 131 ARG HA H 1 3.945 0.04 . 1 . . . A 559 ARG HA . 19214 1 1198 . 1 1 131 131 ARG HB2 H 1 0.518 0.04 . 1 . . . A 559 ARG HB2 . 19214 1 1199 . 1 1 131 131 ARG HB3 H 1 0.899 0.04 . 1 . . . A 559 ARG HB3 . 19214 1 1200 . 1 1 131 131 ARG HG2 H 1 -0.170 0.04 . 1 . . . A 559 ARG HG2 . 19214 1 1201 . 1 1 131 131 ARG HD3 H 1 2.360 0.04 . 1 . . . A 559 ARG HD3 . 19214 1 1202 . 1 1 131 131 ARG HE H 1 7.780 0.04 . 1 . . . A 559 ARG HE . 19214 1 1203 . 1 1 131 131 ARG HH21 H 1 7.110 0.04 . 1 . . . A 559 ARG HH21 . 19214 1 1204 . 1 1 131 131 ARG HH22 H 1 6.040 0.04 . 1 . . . A 559 ARG HH22 . 19214 1 1205 . 1 1 131 131 ARG C C 13 171.134 0.25 . 1 . . . A 559 ARG C . 19214 1 1206 . 1 1 131 131 ARG CA C 13 55.538 0.25 . 1 . . . A 559 ARG CA . 19214 1 1207 . 1 1 131 131 ARG CB C 13 33.169 0.25 . 1 . . . A 559 ARG CB . 19214 1 1208 . 1 1 131 131 ARG CG C 13 25.209 0.25 . 1 . . . A 559 ARG CG . 19214 1 1209 . 1 1 131 131 ARG CD C 13 43.310 0.25 . 1 . . . A 559 ARG CD . 19214 1 1210 . 1 1 131 131 ARG N N 15 121.957 0.25 . 1 . . . A 559 ARG N . 19214 1 1211 . 1 1 131 131 ARG NE N 15 87.310 0.25 . 1 . . . A 559 ARG NE . 19214 1 1212 . 1 1 131 131 ARG NH2 N 15 70.700 0.25 . 1 . . . A 559 ARG NH2 . 19214 1 1213 . 1 1 132 132 GLN H H 1 8.332 0.04 . 1 . . . A 560 GLN H . 19214 1 1214 . 1 1 132 132 GLN HA H 1 4.372 0.04 . 1 . . . A 560 GLN HA . 19214 1 1215 . 1 1 132 132 GLN HB2 H 1 1.702 0.04 . 1 . . . A 560 GLN HB2 . 19214 1 1216 . 1 1 132 132 GLN HB3 H 1 1.857 0.04 . 1 . . . A 560 GLN HB3 . 19214 1 1217 . 1 1 132 132 GLN HG2 H 1 2.005 0.04 . 1 . . . A 560 GLN HG2 . 19214 1 1218 . 1 1 132 132 GLN HG3 H 1 2.105 0.04 . 1 . . . A 560 GLN HG3 . 19214 1 1219 . 1 1 132 132 GLN HE21 H 1 7.560 0.04 . 1 . . . A 560 GLN HE21 . 19214 1 1220 . 1 1 132 132 GLN HE22 H 1 6.870 0.04 . 1 . . . A 560 GLN HE22 . 19214 1 1221 . 1 1 132 132 GLN C C 13 175.848 0.25 . 1 . . . A 560 GLN C . 19214 1 1222 . 1 1 132 132 GLN CA C 13 53.622 0.25 . 1 . . . A 560 GLN CA . 19214 1 1223 . 1 1 132 132 GLN CB C 13 27.811 0.25 . 1 . . . A 560 GLN CB . 19214 1 1224 . 1 1 132 132 GLN CG C 13 33.614 0.25 . 1 . . . A 560 GLN CG . 19214 1 1225 . 1 1 132 132 GLN N N 15 126.067 0.25 . 1 . . . A 560 GLN N . 19214 1 1226 . 1 1 132 132 GLN NE2 N 15 113.000 0.25 . 1 . . . A 560 GLN NE2 . 19214 1 1227 . 1 1 133 133 TRP H H 1 7.982 0.04 . 1 . . . A 561 TRP H . 19214 1 1228 . 1 1 133 133 TRP HA H 1 4.522 0.04 . 1 . . . A 561 TRP HA . 19214 1 1229 . 1 1 133 133 TRP HB2 H 1 2.906 0.04 . 1 . . . A 561 TRP HB2 . 19214 1 1230 . 1 1 133 133 TRP HB3 H 1 3.021 0.04 . 1 . . . A 561 TRP HB3 . 19214 1 1231 . 1 1 133 133 TRP HD1 H 1 7.250 0.04 . 1 . . . A 561 TRP HD1 . 19214 1 1232 . 1 1 133 133 TRP HE3 H 1 7.300 0.04 . 1 . . . A 561 TRP HE3 . 19214 1 1233 . 1 1 133 133 TRP HZ2 H 1 6.850 0.04 . 1 . . . A 561 TRP HZ2 . 19214 1 1234 . 1 1 133 133 TRP HZ3 H 1 6.500 0.04 . 1 . . . A 561 TRP HZ3 . 19214 1 1235 . 1 1 133 133 TRP HH2 H 1 6.600 0.04 . 1 . . . A 561 TRP HH2 . 19214 1 1236 . 1 1 133 133 TRP C C 13 176.141 0.25 . 1 . . . A 561 TRP C . 19214 1 1237 . 1 1 133 133 TRP CA C 13 56.337 0.25 . 1 . . . A 561 TRP CA . 19214 1 1238 . 1 1 133 133 TRP CB C 13 28.840 0.25 . 1 . . . A 561 TRP CB . 19214 1 1239 . 1 1 133 133 TRP CD1 C 13 128.400 0.25 . 1 . . . A 561 TRP CD1 . 19214 1 1240 . 1 1 133 133 TRP CE3 C 13 120.300 0.25 . 1 . . . A 561 TRP CE3 . 19214 1 1241 . 1 1 133 133 TRP CZ2 C 13 114.300 0.25 . 1 . . . A 561 TRP CZ2 . 19214 1 1242 . 1 1 133 133 TRP CZ3 C 13 121.000 0.25 . 1 . . . A 561 TRP CZ3 . 19214 1 1243 . 1 1 133 133 TRP CH2 C 13 123.000 0.25 . 1 . . . A 561 TRP CH2 . 19214 1 1244 . 1 1 133 133 TRP N N 15 133.373 0.25 . 1 . . . A 561 TRP N . 19214 1 1245 . 1 1 134 134 GLN H H 1 9.763 0.04 . 1 . . . A 562 GLN H . 19214 1 1246 . 1 1 134 134 GLN HA H 1 4.454 0.04 . 1 . . . A 562 GLN HA . 19214 1 1247 . 1 1 134 134 GLN HB2 H 1 2.460 0.04 . 1 . . . A 562 GLN HB2 . 19214 1 1248 . 1 1 134 134 GLN HB3 H 1 1.744 0.04 . 1 . . . A 562 GLN HB3 . 19214 1 1249 . 1 1 134 134 GLN HG2 H 1 2.440 0.04 . 1 . . . A 562 GLN HG2 . 19214 1 1250 . 1 1 134 134 GLN HG3 H 1 2.490 0.04 . 1 . . . A 562 GLN HG3 . 19214 1 1251 . 1 1 134 134 GLN HE21 H 1 7.280 0.04 . 1 . . . A 562 GLN HE21 . 19214 1 1252 . 1 1 134 134 GLN HE22 H 1 6.910 0.04 . 1 . . . A 562 GLN HE22 . 19214 1 1253 . 1 1 134 134 GLN C C 13 177.088 0.25 . 1 . . . A 562 GLN C . 19214 1 1254 . 1 1 134 134 GLN CA C 13 54.676 0.25 . 1 . . . A 562 GLN CA . 19214 1 1255 . 1 1 134 134 GLN CB C 13 30.526 0.25 . 1 . . . A 562 GLN CB . 19214 1 1256 . 1 1 134 134 GLN CG C 13 34.000 0.25 . 1 . . . A 562 GLN CG . 19214 1 1257 . 1 1 134 134 GLN N N 15 124.678 0.25 . 1 . . . A 562 GLN N . 19214 1 1258 . 1 1 134 134 GLN NE2 N 15 113.200 0.25 . 1 . . . A 562 GLN NE2 . 19214 1 1259 . 1 1 135 135 GLU H H 1 9.210 0.04 . 1 . . . A 563 GLU H . 19214 1 1260 . 1 1 135 135 GLU HA H 1 3.907 0.04 . 1 . . . A 563 GLU HA . 19214 1 1261 . 1 1 135 135 GLU HB3 H 1 2.095 0.04 . 1 . . . A 563 GLU HB3 . 19214 1 1262 . 1 1 135 135 GLU HG2 H 1 2.308 0.04 . 1 . . . A 563 GLU HG2 . 19214 1 1263 . 1 1 135 135 GLU HG3 H 1 2.397 0.04 . 1 . . . A 563 GLU HG3 . 19214 1 1264 . 1 1 135 135 GLU C C 13 178.742 0.25 . 1 . . . A 563 GLU C . 19214 1 1265 . 1 1 135 135 GLU CA C 13 61.275 0.25 . 1 . . . A 563 GLU CA . 19214 1 1266 . 1 1 135 135 GLU CB C 13 29.149 0.25 . 1 . . . A 563 GLU CB . 19214 1 1267 . 1 1 135 135 GLU CG C 13 36.758 0.25 . 1 . . . A 563 GLU CG . 19214 1 1268 . 1 1 135 135 GLU N N 15 124.545 0.25 . 1 . . . A 563 GLU N . 19214 1 1269 . 1 1 136 136 ILE H H 1 8.496 0.04 . 1 . . . A 564 ILE H . 19214 1 1270 . 1 1 136 136 ILE HA H 1 4.208 0.04 . 1 . . . A 564 ILE HA . 19214 1 1271 . 1 1 136 136 ILE HB H 1 1.889 0.04 . 1 . . . A 564 ILE HB . 19214 1 1272 . 1 1 136 136 ILE HG12 H 1 1.258 0.04 . 1 . . . A 564 ILE HG12 . 19214 1 1273 . 1 1 136 136 ILE HG13 H 1 1.512 0.04 . 1 . . . A 564 ILE HG13 . 19214 1 1274 . 1 1 136 136 ILE HG21 H 1 0.930 0.04 . 1 . . . A 564 ILE HG21 . 19214 1 1275 . 1 1 136 136 ILE HG22 H 1 0.930 0.04 . 1 . . . A 564 ILE HG22 . 19214 1 1276 . 1 1 136 136 ILE HG23 H 1 0.930 0.04 . 1 . . . A 564 ILE HG23 . 19214 1 1277 . 1 1 136 136 ILE HD11 H 1 0.900 0.04 . 1 . . . A 564 ILE HD11 . 19214 1 1278 . 1 1 136 136 ILE HD12 H 1 0.900 0.04 . 1 . . . A 564 ILE HD12 . 19214 1 1279 . 1 1 136 136 ILE HD13 H 1 0.900 0.04 . 1 . . . A 564 ILE HD13 . 19214 1 1280 . 1 1 136 136 ILE C C 13 177.462 0.25 . 1 . . . A 564 ILE C . 19214 1 1281 . 1 1 136 136 ILE CA C 13 63.380 0.25 . 1 . . . A 564 ILE CA . 19214 1 1282 . 1 1 136 136 ILE CB C 13 37.828 0.25 . 1 . . . A 564 ILE CB . 19214 1 1283 . 1 1 136 136 ILE CG1 C 13 28.762 0.25 . 1 . . . A 564 ILE CG1 . 19214 1 1284 . 1 1 136 136 ILE CG2 C 13 17.846 0.25 . 1 . . . A 564 ILE CG2 . 19214 1 1285 . 1 1 136 136 ILE CD1 C 13 13.986 0.25 . 1 . . . A 564 ILE CD1 . 19214 1 1286 . 1 1 136 136 ILE N N 15 115.275 0.25 . 1 . . . A 564 ILE N . 19214 1 1287 . 1 1 137 137 GLU H H 1 6.668 0.04 . 1 . . . A 565 GLU H . 19214 1 1288 . 1 1 137 137 GLU HA H 1 4.009 0.04 . 1 . . . A 565 GLU HA . 19214 1 1289 . 1 1 137 137 GLU HB2 H 1 1.806 0.04 . 1 . . . A 565 GLU HB2 . 19214 1 1290 . 1 1 137 137 GLU HB3 H 1 2.744 0.04 . 1 . . . A 565 GLU HB3 . 19214 1 1291 . 1 1 137 137 GLU HG3 H 1 2.298 0.04 . 1 . . . A 565 GLU HG3 . 19214 1 1292 . 1 1 137 137 GLU C C 13 178.217 0.25 . 1 . . . A 565 GLU C . 19214 1 1293 . 1 1 137 137 GLU CA C 13 58.713 0.25 . 1 . . . A 565 GLU CA . 19214 1 1294 . 1 1 137 137 GLU CB C 13 29.685 0.25 . 1 . . . A 565 GLU CB . 19214 1 1295 . 1 1 137 137 GLU CG C 13 36.796 0.25 . 1 . . . A 565 GLU CG . 19214 1 1296 . 1 1 137 137 GLU N N 15 121.174 0.25 . 1 . . . A 565 GLU N . 19214 1 1297 . 1 1 138 138 ILE H H 1 8.165 0.04 . 1 . . . A 566 ILE H . 19214 1 1298 . 1 1 138 138 ILE HA H 1 3.387 0.04 . 1 . . . A 566 ILE HA . 19214 1 1299 . 1 1 138 138 ILE HB H 1 1.917 0.04 . 1 . . . A 566 ILE HB . 19214 1 1300 . 1 1 138 138 ILE HG13 H 1 1.700 0.04 . 1 . . . A 566 ILE HG13 . 19214 1 1301 . 1 1 138 138 ILE HG21 H 1 0.953 0.04 . 1 . . . A 566 ILE HG21 . 19214 1 1302 . 1 1 138 138 ILE HG22 H 1 0.953 0.04 . 1 . . . A 566 ILE HG22 . 19214 1 1303 . 1 1 138 138 ILE HG23 H 1 0.953 0.04 . 1 . . . A 566 ILE HG23 . 19214 1 1304 . 1 1 138 138 ILE HD11 H 1 0.734 0.04 . 1 . . . A 566 ILE HD11 . 19214 1 1305 . 1 1 138 138 ILE HD12 H 1 0.734 0.04 . 1 . . . A 566 ILE HD12 . 19214 1 1306 . 1 1 138 138 ILE HD13 H 1 0.734 0.04 . 1 . . . A 566 ILE HD13 . 19214 1 1307 . 1 1 138 138 ILE C C 13 178.911 0.25 . 1 . . . A 566 ILE C . 19214 1 1308 . 1 1 138 138 ILE CA C 13 66.484 0.25 . 1 . . . A 566 ILE CA . 19214 1 1309 . 1 1 138 138 ILE CB C 13 38.410 0.25 . 1 . . . A 566 ILE CB . 19214 1 1310 . 1 1 138 138 ILE CG1 C 13 29.200 0.25 . 1 . . . A 566 ILE CG1 . 19214 1 1311 . 1 1 138 138 ILE CG2 C 13 17.911 0.25 . 1 . . . A 566 ILE CG2 . 19214 1 1312 . 1 1 138 138 ILE CD1 C 13 13.702 0.25 . 1 . . . A 566 ILE CD1 . 19214 1 1313 . 1 1 138 138 ILE N N 15 119.747 0.25 . 1 . . . A 566 ILE N . 19214 1 1314 . 1 1 139 139 ASP H H 1 8.574 0.04 . 1 . . . A 567 ASP H . 19214 1 1315 . 1 1 139 139 ASP HA H 1 4.373 0.04 . 1 . . . A 567 ASP HA . 19214 1 1316 . 1 1 139 139 ASP HB2 H 1 2.719 0.04 . 1 . . . A 567 ASP HB2 . 19214 1 1317 . 1 1 139 139 ASP HB3 H 1 2.838 0.04 . 1 . . . A 567 ASP HB3 . 19214 1 1318 . 1 1 139 139 ASP C C 13 179.462 0.25 . 1 . . . A 567 ASP C . 19214 1 1319 . 1 1 139 139 ASP CA C 13 57.949 0.25 . 1 . . . A 567 ASP CA . 19214 1 1320 . 1 1 139 139 ASP CB C 13 40.516 0.25 . 1 . . . A 567 ASP CB . 19214 1 1321 . 1 1 139 139 ASP N N 15 120.827 0.25 . 1 . . . A 567 ASP N . 19214 1 1322 . 1 1 140 140 GLN H H 1 8.321 0.04 . 1 . . . A 568 GLN H . 19214 1 1323 . 1 1 140 140 GLN HA H 1 4.140 0.04 . 1 . . . A 568 GLN HA . 19214 1 1324 . 1 1 140 140 GLN HB2 H 1 2.089 0.04 . 1 . . . A 568 GLN HB2 . 19214 1 1325 . 1 1 140 140 GLN HB3 H 1 2.298 0.04 . 1 . . . A 568 GLN HB3 . 19214 1 1326 . 1 1 140 140 GLN HG2 H 1 2.379 0.04 . 1 . . . A 568 GLN HG2 . 19214 1 1327 . 1 1 140 140 GLN HG3 H 1 2.832 0.04 . 1 . . . A 568 GLN HG3 . 19214 1 1328 . 1 1 140 140 GLN HE21 H 1 7.240 0.04 . 1 . . . A 568 GLN HE21 . 19214 1 1329 . 1 1 140 140 GLN HE22 H 1 6.720 0.04 . 1 . . . A 568 GLN HE22 . 19214 1 1330 . 1 1 140 140 GLN C C 13 179.204 0.25 . 1 . . . A 568 GLN C . 19214 1 1331 . 1 1 140 140 GLN CA C 13 59.294 0.25 . 1 . . . A 568 GLN CA . 19214 1 1332 . 1 1 140 140 GLN CB C 13 29.558 0.25 . 1 . . . A 568 GLN CB . 19214 1 1333 . 1 1 140 140 GLN CG C 13 35.136 0.25 . 1 . . . A 568 GLN CG . 19214 1 1334 . 1 1 140 140 GLN N N 15 118.625 0.25 . 1 . . . A 568 GLN N . 19214 1 1335 . 1 1 140 140 GLN NE2 N 15 109.600 0.25 . 1 . . . A 568 GLN NE2 . 19214 1 1336 . 1 1 141 141 PHE H H 1 8.999 0.04 . 1 . . . A 569 PHE H . 19214 1 1337 . 1 1 141 141 PHE HA H 1 4.310 0.04 . 1 . . . A 569 PHE HA . 19214 1 1338 . 1 1 141 141 PHE HB2 H 1 2.929 0.04 . 1 . . . A 569 PHE HB2 . 19214 1 1339 . 1 1 141 141 PHE HB3 H 1 3.197 0.04 . 1 . . . A 569 PHE HB3 . 19214 1 1340 . 1 1 141 141 PHE HD1 H 1 6.900 0.04 . 1 . . . A 569 PHE HD1 . 19214 1 1341 . 1 1 141 141 PHE HE1 H 1 6.900 0.04 . 1 . . . A 569 PHE HE1 . 19214 1 1342 . 1 1 141 141 PHE HZ H 1 6.810 0.04 . 1 . . . A 569 PHE HZ . 19214 1 1343 . 1 1 141 141 PHE C C 13 177.387 0.25 . 1 . . . A 569 PHE C . 19214 1 1344 . 1 1 141 141 PHE CA C 13 61.106 0.25 . 1 . . . A 569 PHE CA . 19214 1 1345 . 1 1 141 141 PHE CB C 13 40.452 0.25 . 1 . . . A 569 PHE CB . 19214 1 1346 . 1 1 141 141 PHE CD1 C 13 131.400 0.25 . 1 . . . A 569 PHE CD1 . 19214 1 1347 . 1 1 141 141 PHE CE1 C 13 131.400 0.25 . 1 . . . A 569 PHE CE1 . 19214 1 1348 . 1 1 141 141 PHE CZ C 13 130.700 0.25 . 1 . . . A 569 PHE CZ . 19214 1 1349 . 1 1 141 141 PHE N N 15 124.764 0.25 . 1 . . . A 569 PHE N . 19214 1 1350 . 1 1 142 142 SER H H 1 8.979 0.04 . 1 . . . A 570 SER H . 19214 1 1351 . 1 1 142 142 SER HA H 1 4.145 0.04 . 1 . . . A 570 SER HA . 19214 1 1352 . 1 1 142 142 SER HB3 H 1 4.046 0.04 . 1 . . . A 570 SER HB3 . 19214 1 1353 . 1 1 142 142 SER C C 13 177.181 0.25 . 1 . . . A 570 SER C . 19214 1 1354 . 1 1 142 142 SER CA C 13 61.933 0.25 . 1 . . . A 570 SER CA . 19214 1 1355 . 1 1 142 142 SER CB C 13 63.049 0.25 . 1 . . . A 570 SER CB . 19214 1 1356 . 1 1 142 142 SER N N 15 113.882 0.25 . 1 . . . A 570 SER N . 19214 1 1357 . 1 1 143 143 GLU H H 1 8.282 0.04 . 1 . . . A 571 GLU H . 19214 1 1358 . 1 1 143 143 GLU HA H 1 4.146 0.04 . 1 . . . A 571 GLU HA . 19214 1 1359 . 1 1 143 143 GLU HB3 H 1 2.166 0.04 . 1 . . . A 571 GLU HB3 . 19214 1 1360 . 1 1 143 143 GLU HG2 H 1 2.150 0.04 . 1 . . . A 571 GLU HG2 . 19214 1 1361 . 1 1 143 143 GLU HG3 H 1 2.338 0.04 . 1 . . . A 571 GLU HG3 . 19214 1 1362 . 1 1 143 143 GLU C C 13 179.006 0.25 . 1 . . . A 571 GLU C . 19214 1 1363 . 1 1 143 143 GLU CA C 13 59.437 0.25 . 1 . . . A 571 GLU CA . 19214 1 1364 . 1 1 143 143 GLU CB C 13 29.269 0.25 . 1 . . . A 571 GLU CB . 19214 1 1365 . 1 1 143 143 GLU CG C 13 36.382 0.25 . 1 . . . A 571 GLU CG . 19214 1 1366 . 1 1 143 143 GLU N N 15 123.710 0.25 . 1 . . . A 571 GLU N . 19214 1 1367 . 1 1 144 144 LEU H H 1 7.722 0.04 . 1 . . . A 572 LEU H . 19214 1 1368 . 1 1 144 144 LEU HA H 1 4.030 0.04 . 1 . . . A 572 LEU HA . 19214 1 1369 . 1 1 144 144 LEU HB2 H 1 1.571 0.04 . 1 . . . A 572 LEU HB2 . 19214 1 1370 . 1 1 144 144 LEU HB3 H 1 1.839 0.04 . 1 . . . A 572 LEU HB3 . 19214 1 1371 . 1 1 144 144 LEU HG H 1 1.350 0.04 . 1 . . . A 572 LEU HG . 19214 1 1372 . 1 1 144 144 LEU HD11 H 1 0.851 0.04 . 1 . . . A 572 LEU HD11 . 19214 1 1373 . 1 1 144 144 LEU HD12 H 1 0.851 0.04 . 1 . . . A 572 LEU HD12 . 19214 1 1374 . 1 1 144 144 LEU HD13 H 1 0.851 0.04 . 1 . . . A 572 LEU HD13 . 19214 1 1375 . 1 1 144 144 LEU HD21 H 1 0.830 0.04 . 1 . . . A 572 LEU HD21 . 19214 1 1376 . 1 1 144 144 LEU HD22 H 1 0.830 0.04 . 1 . . . A 572 LEU HD22 . 19214 1 1377 . 1 1 144 144 LEU HD23 H 1 0.830 0.04 . 1 . . . A 572 LEU HD23 . 19214 1 1378 . 1 1 144 144 LEU C C 13 178.204 0.25 . 1 . . . A 572 LEU C . 19214 1 1379 . 1 1 144 144 LEU CA C 13 58.186 0.25 . 1 . . . A 572 LEU CA . 19214 1 1380 . 1 1 144 144 LEU CB C 13 41.303 0.25 . 1 . . . A 572 LEU CB . 19214 1 1381 . 1 1 144 144 LEU CG C 13 26.711 0.25 . 1 . . . A 572 LEU CG . 19214 1 1382 . 1 1 144 144 LEU CD1 C 13 25.652 0.25 . 1 . . . A 572 LEU CD1 . 19214 1 1383 . 1 1 144 144 LEU CD2 C 13 23.898 0.25 . 1 . . . A 572 LEU CD2 . 19214 1 1384 . 1 1 144 144 LEU N N 15 123.115 0.25 . 1 . . . A 572 LEU N . 19214 1 1385 . 1 1 145 145 ALA H H 1 7.701 0.04 . 1 . . . A 573 ALA H . 19214 1 1386 . 1 1 145 145 ALA HA H 1 3.703 0.04 . 1 . . . A 573 ALA HA . 19214 1 1387 . 1 1 145 145 ALA HB1 H 1 1.296 0.04 . 1 . . . A 573 ALA HB1 . 19214 1 1388 . 1 1 145 145 ALA HB2 H 1 1.296 0.04 . 1 . . . A 573 ALA HB2 . 19214 1 1389 . 1 1 145 145 ALA HB3 H 1 1.296 0.04 . 1 . . . A 573 ALA HB3 . 19214 1 1390 . 1 1 145 145 ALA C C 13 180.276 0.25 . 1 . . . A 573 ALA C . 19214 1 1391 . 1 1 145 145 ALA CA C 13 55.577 0.25 . 1 . . . A 573 ALA CA . 19214 1 1392 . 1 1 145 145 ALA CB C 13 19.090 0.25 . 1 . . . A 573 ALA CB . 19214 1 1393 . 1 1 145 145 ALA N N 15 120.384 0.25 . 1 . . . A 573 ALA N . 19214 1 1394 . 1 1 146 146 SER H H 1 8.679 0.04 . 1 . . . A 574 SER H . 19214 1 1395 . 1 1 146 146 SER HA H 1 4.373 0.04 . 1 . . . A 574 SER HA . 19214 1 1396 . 1 1 146 146 SER HB2 H 1 4.041 0.04 . 1 . . . A 574 SER HB2 . 19214 1 1397 . 1 1 146 146 SER HB3 H 1 4.069 0.04 . 1 . . . A 574 SER HB3 . 19214 1 1398 . 1 1 146 146 SER C C 13 177.259 0.25 . 1 . . . A 574 SER C . 19214 1 1399 . 1 1 146 146 SER CA C 13 61.851 0.25 . 1 . . . A 574 SER CA . 19214 1 1400 . 1 1 146 146 SER CB C 13 62.460 0.25 . 1 . . . A 574 SER CB . 19214 1 1401 . 1 1 146 146 SER N N 15 116.150 0.25 . 1 . . . A 574 SER N . 19214 1 1402 . 1 1 147 147 THR H H 1 8.685 0.04 . 1 . . . A 575 THR H . 19214 1 1403 . 1 1 147 147 THR HA H 1 3.985 0.04 . 1 . . . A 575 THR HA . 19214 1 1404 . 1 1 147 147 THR HB H 1 4.299 0.04 . 1 . . . A 575 THR HB . 19214 1 1405 . 1 1 147 147 THR HG21 H 1 1.199 0.04 . 1 . . . A 575 THR HG21 . 19214 1 1406 . 1 1 147 147 THR HG22 H 1 1.199 0.04 . 1 . . . A 575 THR HG22 . 19214 1 1407 . 1 1 147 147 THR HG23 H 1 1.199 0.04 . 1 . . . A 575 THR HG23 . 19214 1 1408 . 1 1 147 147 THR C C 13 177.023 0.25 . 1 . . . A 575 THR C . 19214 1 1409 . 1 1 147 147 THR CA C 13 66.859 0.25 . 1 . . . A 575 THR CA . 19214 1 1410 . 1 1 147 147 THR CB C 13 68.370 0.25 . 1 . . . A 575 THR CB . 19214 1 1411 . 1 1 147 147 THR CG2 C 13 21.800 0.25 . 1 . . . A 575 THR CG2 . 19214 1 1412 . 1 1 147 147 THR N N 15 120.316 0.25 . 1 . . . A 575 THR N . 19214 1 1413 . 1 1 148 148 GLY H H 1 8.565 0.04 . 1 . . . A 576 GLY H . 19214 1 1414 . 1 1 148 148 GLY HA2 H 1 3.450 0.04 . 1 . . . A 576 GLY HA2 . 19214 1 1415 . 1 1 148 148 GLY HA3 H 1 3.521 0.04 . 1 . . . A 576 GLY HA3 . 19214 1 1416 . 1 1 148 148 GLY C C 13 174.096 0.25 . 1 . . . A 576 GLY C . 19214 1 1417 . 1 1 148 148 GLY CA C 13 47.730 0.25 . 1 . . . A 576 GLY CA . 19214 1 1418 . 1 1 148 148 GLY N N 15 107.996 0.25 . 1 . . . A 576 GLY N . 19214 1 1419 . 1 1 149 149 SER H H 1 8.425 0.04 . 1 . . . A 577 SER H . 19214 1 1420 . 1 1 149 149 SER HA H 1 3.840 0.04 . 1 . . . A 577 SER HA . 19214 1 1421 . 1 1 149 149 SER HB3 H 1 4.260 0.04 . 1 . . . A 577 SER HB3 . 19214 1 1422 . 1 1 149 149 SER CA C 13 63.146 0.25 . 1 . . . A 577 SER CA . 19214 1 1423 . 1 1 149 149 SER N N 15 118.026 0.25 . 1 . . . A 577 SER N . 19214 1 1424 . 1 1 150 150 LEU HA H 1 3.700 0.04 . 1 . . . A 578 LEU HA . 19214 1 1425 . 1 1 150 150 LEU HB2 H 1 0.970 0.04 . 1 . . . A 578 LEU HB2 . 19214 1 1426 . 1 1 150 150 LEU HB3 H 1 1.700 0.04 . 1 . . . A 578 LEU HB3 . 19214 1 1427 . 1 1 150 150 LEU HG H 1 1.470 0.04 . 1 . . . A 578 LEU HG . 19214 1 1428 . 1 1 150 150 LEU HD11 H 1 0.420 0.04 . 1 . . . A 578 LEU HD11 . 19214 1 1429 . 1 1 150 150 LEU HD12 H 1 0.420 0.04 . 1 . . . A 578 LEU HD12 . 19214 1 1430 . 1 1 150 150 LEU HD13 H 1 0.420 0.04 . 1 . . . A 578 LEU HD13 . 19214 1 1431 . 1 1 150 150 LEU HD21 H 1 0.430 0.04 . 1 . . . A 578 LEU HD21 . 19214 1 1432 . 1 1 150 150 LEU HD22 H 1 0.430 0.04 . 1 . . . A 578 LEU HD22 . 19214 1 1433 . 1 1 150 150 LEU HD23 H 1 0.430 0.04 . 1 . . . A 578 LEU HD23 . 19214 1 1434 . 1 1 150 150 LEU C C 13 179.316 0.25 . 1 . . . A 578 LEU C . 19214 1 1435 . 1 1 150 150 LEU CA C 13 57.995 0.25 . 1 . . . A 578 LEU CA . 19214 1 1436 . 1 1 150 150 LEU CB C 13 41.739 0.25 . 1 . . . A 578 LEU CB . 19214 1 1437 . 1 1 150 150 LEU CG C 13 27.300 0.25 . 1 . . . A 578 LEU CG . 19214 1 1438 . 1 1 150 150 LEU CD1 C 13 25.900 0.25 . 1 . . . A 578 LEU CD1 . 19214 1 1439 . 1 1 150 150 LEU CD2 C 13 23.500 0.25 . 1 . . . A 578 LEU CD2 . 19214 1 1440 . 1 1 151 151 VAL H H 1 8.773 0.04 . 1 . . . A 579 VAL H . 19214 1 1441 . 1 1 151 151 VAL CB C 13 31.123 0.25 . 1 . . . A 579 VAL CB . 19214 1 1442 . 1 1 151 151 VAL N N 15 122.330 0.25 . 1 . . . A 579 VAL N . 19214 1 1443 . 1 1 156 156 HIS HA H 1 4.332 0.04 . 1 . . . A 584 HIS HA . 19214 1 1444 . 1 1 156 156 HIS HB2 H 1 3.040 0.04 . 1 . . . A 584 HIS HB2 . 19214 1 1445 . 1 1 156 156 HIS HB3 H 1 3.180 0.04 . 1 . . . A 584 HIS HB3 . 19214 1 1446 . 1 1 156 156 HIS C C 13 177.320 0.25 . 1 . . . A 584 HIS C . 19214 1 1447 . 1 1 156 156 HIS CA C 13 59.034 0.25 . 1 . . . A 584 HIS CA . 19214 1 1448 . 1 1 156 156 HIS CB C 13 29.981 0.25 . 1 . . . A 584 HIS CB . 19214 1 1449 . 1 1 157 157 PHE H H 1 8.065 0.04 . 1 . . . A 585 PHE H . 19214 1 1450 . 1 1 157 157 PHE HA H 1 4.316 0.04 . 1 . . . A 585 PHE HA . 19214 1 1451 . 1 1 157 157 PHE HB2 H 1 3.180 0.04 . 1 . . . A 585 PHE HB2 . 19214 1 1452 . 1 1 157 157 PHE HB3 H 1 3.199 0.04 . 1 . . . A 585 PHE HB3 . 19214 1 1453 . 1 1 157 157 PHE HD1 H 1 7.260 0.04 . 1 . . . A 585 PHE HD1 . 19214 1 1454 . 1 1 157 157 PHE C C 13 178.195 0.25 . 1 . . . A 585 PHE C . 19214 1 1455 . 1 1 157 157 PHE CA C 13 60.326 0.25 . 1 . . . A 585 PHE CA . 19214 1 1456 . 1 1 157 157 PHE CB C 13 38.773 0.25 . 1 . . . A 585 PHE CB . 19214 1 1457 . 1 1 157 157 PHE N N 15 118.557 0.25 . 1 . . . A 585 PHE N . 19214 1 1458 . 1 1 158 158 LEU H H 1 8.153 0.04 . 1 . . . A 586 LEU H . 19214 1 1459 . 1 1 158 158 LEU HA H 1 4.060 0.04 . 1 . . . A 586 LEU HA . 19214 1 1460 . 1 1 158 158 LEU HB2 H 1 1.680 0.04 . 1 . . . A 586 LEU HB2 . 19214 1 1461 . 1 1 158 158 LEU HB3 H 1 1.810 0.04 . 1 . . . A 586 LEU HB3 . 19214 1 1462 . 1 1 158 158 LEU HG H 1 1.680 0.04 . 1 . . . A 586 LEU HG . 19214 1 1463 . 1 1 158 158 LEU HD21 H 1 0.878 0.04 . 1 . . . A 586 LEU HD21 . 19214 1 1464 . 1 1 158 158 LEU HD22 H 1 0.878 0.04 . 1 . . . A 586 LEU HD22 . 19214 1 1465 . 1 1 158 158 LEU HD23 H 1 0.878 0.04 . 1 . . . A 586 LEU HD23 . 19214 1 1466 . 1 1 158 158 LEU C C 13 178.863 0.25 . 1 . . . A 586 LEU C . 19214 1 1467 . 1 1 158 158 LEU CA C 13 57.423 0.25 . 1 . . . A 586 LEU CA . 19214 1 1468 . 1 1 158 158 LEU CB C 13 42.042 0.25 . 1 . . . A 586 LEU CB . 19214 1 1469 . 1 1 158 158 LEU CG C 13 26.847 0.25 . 1 . . . A 586 LEU CG . 19214 1 1470 . 1 1 158 158 LEU CD2 C 13 24.817 0.25 . 1 . . . A 586 LEU CD2 . 19214 1 1471 . 1 1 158 158 LEU N N 15 121.964 0.25 . 1 . . . A 586 LEU N . 19214 1 1472 . 1 1 159 159 GLU H H 1 8.234 0.04 . 1 . . . A 587 GLU H . 19214 1 1473 . 1 1 159 159 GLU HA H 1 4.016 0.04 . 1 . . . A 587 GLU HA . 19214 1 1474 . 1 1 159 159 GLU HB3 H 1 1.998 0.04 . 1 . . . A 587 GLU HB3 . 19214 1 1475 . 1 1 159 159 GLU HG2 H 1 2.201 0.04 . 1 . . . A 587 GLU HG2 . 19214 1 1476 . 1 1 159 159 GLU HG3 H 1 2.428 0.04 . 1 . . . A 587 GLU HG3 . 19214 1 1477 . 1 1 159 159 GLU C C 13 178.330 0.25 . 1 . . . A 587 GLU C . 19214 1 1478 . 1 1 159 159 GLU CA C 13 58.475 0.25 . 1 . . . A 587 GLU CA . 19214 1 1479 . 1 1 159 159 GLU CB C 13 29.825 0.25 . 1 . . . A 587 GLU CB . 19214 1 1480 . 1 1 159 159 GLU CG C 13 36.718 0.25 . 1 . . . A 587 GLU CG . 19214 1 1481 . 1 1 159 159 GLU N N 15 119.163 0.25 . 1 . . . A 587 GLU N . 19214 1 1482 . 1 1 160 160 GLN H H 1 8.003 0.04 . 1 . . . A 588 GLN H . 19214 1 1483 . 1 1 160 160 GLN HA H 1 4.136 0.04 . 1 . . . A 588 GLN HA . 19214 1 1484 . 1 1 160 160 GLN HB2 H 1 1.984 0.04 . 1 . . . A 588 GLN HB2 . 19214 1 1485 . 1 1 160 160 GLN HB3 H 1 2.046 0.04 . 1 . . . A 588 GLN HB3 . 19214 1 1486 . 1 1 160 160 GLN HG3 H 1 2.225 0.04 . 1 . . . A 588 GLN HG3 . 19214 1 1487 . 1 1 160 160 GLN HE21 H 1 7.250 0.04 . 1 . . . A 588 GLN HE21 . 19214 1 1488 . 1 1 160 160 GLN HE22 H 1 6.820 0.04 . 1 . . . A 588 GLN HE22 . 19214 1 1489 . 1 1 160 160 GLN C C 13 177.452 0.25 . 1 . . . A 588 GLN C . 19214 1 1490 . 1 1 160 160 GLN CA C 13 57.188 0.25 . 1 . . . A 588 GLN CA . 19214 1 1491 . 1 1 160 160 GLN CB C 13 28.932 0.25 . 1 . . . A 588 GLN CB . 19214 1 1492 . 1 1 160 160 GLN CG C 13 33.907 0.25 . 1 . . . A 588 GLN CG . 19214 1 1493 . 1 1 160 160 GLN N N 15 118.390 0.25 . 1 . . . A 588 GLN N . 19214 1 1494 . 1 1 160 160 GLN NE2 N 15 112.500 0.25 . 1 . . . A 588 GLN NE2 . 19214 1 1495 . 1 1 161 161 THR H H 1 7.957 0.04 . 1 . . . A 589 THR H . 19214 1 1496 . 1 1 161 161 THR HA H 1 4.136 0.04 . 1 . . . A 589 THR HA . 19214 1 1497 . 1 1 161 161 THR HB H 1 4.163 0.04 . 1 . . . A 589 THR HB . 19214 1 1498 . 1 1 161 161 THR HG21 H 1 1.092 0.04 . 1 . . . A 589 THR HG21 . 19214 1 1499 . 1 1 161 161 THR HG22 H 1 1.092 0.04 . 1 . . . A 589 THR HG22 . 19214 1 1500 . 1 1 161 161 THR HG23 H 1 1.092 0.04 . 1 . . . A 589 THR HG23 . 19214 1 1501 . 1 1 161 161 THR C C 13 175.620 0.25 . 1 . . . A 589 THR C . 19214 1 1502 . 1 1 161 161 THR CA C 13 63.840 0.25 . 1 . . . A 589 THR CA . 19214 1 1503 . 1 1 161 161 THR CB C 13 69.380 0.25 . 1 . . . A 589 THR CB . 19214 1 1504 . 1 1 161 161 THR CG2 C 13 21.500 0.25 . 1 . . . A 589 THR CG2 . 19214 1 1505 . 1 1 161 161 THR N N 15 115.070 0.25 . 1 . . . A 589 THR N . 19214 1 1506 . 1 1 162 162 ILE H H 1 7.985 0.04 . 1 . . . A 590 ILE H . 19214 1 1507 . 1 1 162 162 ILE HA H 1 3.926 0.04 . 1 . . . A 590 ILE HA . 19214 1 1508 . 1 1 162 162 ILE HB H 1 1.842 0.04 . 1 . . . A 590 ILE HB . 19214 1 1509 . 1 1 162 162 ILE HG12 H 1 1.120 0.04 . 1 . . . A 590 ILE HG12 . 19214 1 1510 . 1 1 162 162 ILE HG13 H 1 1.470 0.04 . 1 . . . A 590 ILE HG13 . 19214 1 1511 . 1 1 162 162 ILE HG21 H 1 0.863 0.04 . 1 . . . A 590 ILE HG21 . 19214 1 1512 . 1 1 162 162 ILE HG22 H 1 0.863 0.04 . 1 . . . A 590 ILE HG22 . 19214 1 1513 . 1 1 162 162 ILE HG23 H 1 0.863 0.04 . 1 . . . A 590 ILE HG23 . 19214 1 1514 . 1 1 162 162 ILE HD11 H 1 0.760 0.04 . 1 . . . A 590 ILE HD11 . 19214 1 1515 . 1 1 162 162 ILE HD12 H 1 0.760 0.04 . 1 . . . A 590 ILE HD12 . 19214 1 1516 . 1 1 162 162 ILE HD13 H 1 0.760 0.04 . 1 . . . A 590 ILE HD13 . 19214 1 1517 . 1 1 162 162 ILE C C 13 176.914 0.25 . 1 . . . A 590 ILE C . 19214 1 1518 . 1 1 162 162 ILE CA C 13 62.663 0.25 . 1 . . . A 590 ILE CA . 19214 1 1519 . 1 1 162 162 ILE CB C 13 38.222 0.25 . 1 . . . A 590 ILE CB . 19214 1 1520 . 1 1 162 162 ILE CG1 C 13 28.029 0.25 . 1 . . . A 590 ILE CG1 . 19214 1 1521 . 1 1 162 162 ILE CG2 C 13 17.370 0.25 . 1 . . . A 590 ILE CG2 . 19214 1 1522 . 1 1 162 162 ILE CD1 C 13 12.900 0.25 . 1 . . . A 590 ILE CD1 . 19214 1 1523 . 1 1 162 162 ILE N N 15 122.655 0.25 . 1 . . . A 590 ILE N . 19214 1 1524 . 1 1 163 163 ALA H H 1 8.086 0.04 . 1 . . . A 591 ALA H . 19214 1 1525 . 1 1 163 163 ALA HA H 1 4.181 0.04 . 1 . . . A 591 ALA HA . 19214 1 1526 . 1 1 163 163 ALA HB1 H 1 1.387 0.04 . 1 . . . A 591 ALA HB1 . 19214 1 1527 . 1 1 163 163 ALA HB2 H 1 1.387 0.04 . 1 . . . A 591 ALA HB2 . 19214 1 1528 . 1 1 163 163 ALA HB3 H 1 1.387 0.04 . 1 . . . A 591 ALA HB3 . 19214 1 1529 . 1 1 163 163 ALA C C 13 178.466 0.25 . 1 . . . A 591 ALA C . 19214 1 1530 . 1 1 163 163 ALA CA C 13 53.502 0.25 . 1 . . . A 591 ALA CA . 19214 1 1531 . 1 1 163 163 ALA CB C 13 18.788 0.25 . 1 . . . A 591 ALA CB . 19214 1 1532 . 1 1 163 163 ALA N N 15 125.105 0.25 . 1 . . . A 591 ALA N . 19214 1 1533 . 1 1 164 164 SER H H 1 7.957 0.04 . 1 . . . A 592 SER H . 19214 1 1534 . 1 1 164 164 SER HA H 1 4.298 0.04 . 1 . . . A 592 SER HA . 19214 1 1535 . 1 1 164 164 SER HB2 H 1 3.790 0.04 . 1 . . . A 592 SER HB2 . 19214 1 1536 . 1 1 164 164 SER HB3 H 1 3.840 0.04 . 1 . . . A 592 SER HB3 . 19214 1 1537 . 1 1 164 164 SER C C 13 174.886 0.25 . 1 . . . A 592 SER C . 19214 1 1538 . 1 1 164 164 SER CA C 13 58.939 0.25 . 1 . . . A 592 SER CA . 19214 1 1539 . 1 1 164 164 SER CB C 13 63.738 0.25 . 1 . . . A 592 SER CB . 19214 1 1540 . 1 1 164 164 SER N N 15 113.591 0.25 . 1 . . . A 592 SER N . 19214 1 1541 . 1 1 165 165 LEU H H 1 7.905 0.04 . 1 . . . A 593 LEU H . 19214 1 1542 . 1 1 165 165 LEU CA C 13 55.720 0.25 . 1 . . . A 593 LEU CA . 19214 1 1543 . 1 1 165 165 LEU CB C 13 42.107 0.25 . 1 . . . A 593 LEU CB . 19214 1 1544 . 1 1 165 165 LEU N N 15 122.972 0.25 . 1 . . . A 593 LEU N . 19214 1 stop_ save_