data_27339 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27339 _Entry.Title ; Chemical shifts of UBQLN2 residues 450-624 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-11 _Entry.Accession_date 2017-12-11 _Entry.Last_release_date 2017-12-12 _Entry.Original_release_date 2017-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone H, N, Ca, Cb, CO chemical shifts of human ubiquilin-2 (UBQLN2) residues 450-624.' _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.ORCID _Entry_author.Entry_ID 1 Carlos Castaneda . A. . . 27339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 27339 '15N chemical shifts' 147 27339 '1H chemical shifts' 132 27339 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-03-16 . original BMRB . 27339 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27339 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.molcel.2018.02.004 _Citation.PubMed_ID 29526694 _Citation.Full_citation . _Citation.Title ; Ubiquitin Modulates Liquid-Liquid Phase Separation of UBQLN2 via Disruption of Multivalent Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume S1097 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4164 _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 30102 _Citation.Page_last 30103 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Thuy Dao T. P. . . 27339 1 2 Regina-Maria Kolaitis R. M. . . 27339 1 3 'Hong Joo' Kim H. J. . . 27339 1 4 Kevin O'Donovan K. . . . 27339 1 5 Brian Martyniak B. . . . 27339 1 6 Erica Colicino E. . . . 27339 1 7 Heidi Hehnly H. . . . 27339 1 8 'J Paul' Taylor J. P. . . 27339 1 9 Carlos Castaneda C. A. . . 27339 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27339 1 'phase separation' 27339 1 ubiquilin-2 27339 1 ubiquitin 27339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27339 _Assembly.ID 1 _Assembly.Name 'human ubiquilin-2 (UBQLN2) residues 450-624' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 UBQLN2 1 $UBQLN2_450-624 A . yes native no no . . . 27339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBQLN2_450-624 _Entity.Sf_category entity _Entity.Sf_framecode UBQLN2_450-624 _Entity.Entry_ID 27339 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBQLN2_450-624 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRAMQALMQIQQGLQTLATE APGLIPSFTPGVGVGVLGTA IGPVGPVTPIGPIGPIVPFT PIGPIGPIGPTGPAAPPGST GSGGPTGPTVSSAAPSETTS PTSESGPNQQFIQQMVQALA GANAPQLPNPEVRFQQQLEQ LNAMGFLNREANLQALIATG GDINAAIERLLGSQPSW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Second residue R is residue 450 of human UBQLN2. Additional C-terminal residue W for prot concentration measurements. ; _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 177 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Proteasomal shuttle protein, autophagy, protein quality control' 27339 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 1 449 MET . 27339 1 2 450 ARG . 27339 1 3 451 ALA . 27339 1 4 452 MET . 27339 1 5 453 GLN . 27339 1 6 454 ALA . 27339 1 7 455 LEU . 27339 1 8 456 MET . 27339 1 9 457 GLN . 27339 1 10 458 ILE . 27339 1 11 459 GLN . 27339 1 12 460 GLN . 27339 1 13 461 GLY . 27339 1 14 462 LEU . 27339 1 15 463 GLN . 27339 1 16 464 THR . 27339 1 17 465 LEU . 27339 1 18 466 ALA . 27339 1 19 467 THR . 27339 1 20 468 GLU . 27339 1 21 469 ALA . 27339 1 22 470 PRO . 27339 1 23 471 GLY . 27339 1 24 472 LEU . 27339 1 25 473 ILE . 27339 1 26 474 PRO . 27339 1 27 475 SER . 27339 1 28 476 PHE . 27339 1 29 477 THR . 27339 1 30 478 PRO . 27339 1 31 479 GLY . 27339 1 32 480 VAL . 27339 1 33 481 GLY . 27339 1 34 482 VAL . 27339 1 35 483 GLY . 27339 1 36 484 VAL . 27339 1 37 485 LEU . 27339 1 38 486 GLY . 27339 1 39 487 THR . 27339 1 40 488 ALA . 27339 1 41 489 ILE . 27339 1 42 490 GLY . 27339 1 43 491 PRO . 27339 1 44 492 VAL . 27339 1 45 493 GLY . 27339 1 46 494 PRO . 27339 1 47 495 VAL . 27339 1 48 496 THR . 27339 1 49 497 PRO . 27339 1 50 498 ILE . 27339 1 51 499 GLY . 27339 1 52 500 PRO . 27339 1 53 501 ILE . 27339 1 54 502 GLY . 27339 1 55 503 PRO . 27339 1 56 504 ILE . 27339 1 57 505 VAL . 27339 1 58 506 PRO . 27339 1 59 507 PHE . 27339 1 60 508 THR . 27339 1 61 509 PRO . 27339 1 62 510 ILE . 27339 1 63 511 GLY . 27339 1 64 512 PRO . 27339 1 65 513 ILE . 27339 1 66 514 GLY . 27339 1 67 515 PRO . 27339 1 68 516 ILE . 27339 1 69 517 GLY . 27339 1 70 518 PRO . 27339 1 71 519 THR . 27339 1 72 520 GLY . 27339 1 73 521 PRO . 27339 1 74 522 ALA . 27339 1 75 523 ALA . 27339 1 76 524 PRO . 27339 1 77 525 PRO . 27339 1 78 526 GLY . 27339 1 79 527 SER . 27339 1 80 528 THR . 27339 1 81 529 GLY . 27339 1 82 530 SER . 27339 1 83 531 GLY . 27339 1 84 532 GLY . 27339 1 85 533 PRO . 27339 1 86 534 THR . 27339 1 87 535 GLY . 27339 1 88 536 PRO . 27339 1 89 537 THR . 27339 1 90 538 VAL . 27339 1 91 539 SER . 27339 1 92 540 SER . 27339 1 93 541 ALA . 27339 1 94 542 ALA . 27339 1 95 543 PRO . 27339 1 96 544 SER . 27339 1 97 545 GLU . 27339 1 98 546 THR . 27339 1 99 547 THR . 27339 1 100 548 SER . 27339 1 101 549 PRO . 27339 1 102 550 THR . 27339 1 103 551 SER . 27339 1 104 552 GLU . 27339 1 105 553 SER . 27339 1 106 554 GLY . 27339 1 107 555 PRO . 27339 1 108 556 ASN . 27339 1 109 557 GLN . 27339 1 110 558 GLN . 27339 1 111 559 PHE . 27339 1 112 560 ILE . 27339 1 113 561 GLN . 27339 1 114 562 GLN . 27339 1 115 563 MET . 27339 1 116 564 VAL . 27339 1 117 565 GLN . 27339 1 118 566 ALA . 27339 1 119 567 LEU . 27339 1 120 568 ALA . 27339 1 121 569 GLY . 27339 1 122 570 ALA . 27339 1 123 571 ASN . 27339 1 124 572 ALA . 27339 1 125 573 PRO . 27339 1 126 574 GLN . 27339 1 127 575 LEU . 27339 1 128 576 PRO . 27339 1 129 577 ASN . 27339 1 130 578 PRO . 27339 1 131 579 GLU . 27339 1 132 580 VAL . 27339 1 133 581 ARG . 27339 1 134 582 PHE . 27339 1 135 583 GLN . 27339 1 136 584 GLN . 27339 1 137 585 GLN . 27339 1 138 586 LEU . 27339 1 139 587 GLU . 27339 1 140 588 GLN . 27339 1 141 589 LEU . 27339 1 142 590 ASN . 27339 1 143 591 ALA . 27339 1 144 592 MET . 27339 1 145 593 GLY . 27339 1 146 594 PHE . 27339 1 147 595 LEU . 27339 1 148 596 ASN . 27339 1 149 597 ARG . 27339 1 150 598 GLU . 27339 1 151 599 ALA . 27339 1 152 600 ASN . 27339 1 153 601 LEU . 27339 1 154 602 GLN . 27339 1 155 603 ALA . 27339 1 156 604 LEU . 27339 1 157 605 ILE . 27339 1 158 606 ALA . 27339 1 159 607 THR . 27339 1 160 608 GLY . 27339 1 161 609 GLY . 27339 1 162 610 ASP . 27339 1 163 611 ILE . 27339 1 164 612 ASN . 27339 1 165 613 ALA . 27339 1 166 614 ALA . 27339 1 167 615 ILE . 27339 1 168 616 GLU . 27339 1 169 617 ARG . 27339 1 170 618 LEU . 27339 1 171 619 LEU . 27339 1 172 620 GLY . 27339 1 173 621 SER . 27339 1 174 622 GLN . 27339 1 175 623 PRO . 27339 1 176 624 SER . 27339 1 177 625 TRP . 27339 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 27339 1 . ARG 2 2 27339 1 . ALA 3 3 27339 1 . MET 4 4 27339 1 . GLN 5 5 27339 1 . ALA 6 6 27339 1 . LEU 7 7 27339 1 . MET 8 8 27339 1 . GLN 9 9 27339 1 . ILE 10 10 27339 1 . GLN 11 11 27339 1 . GLN 12 12 27339 1 . GLY 13 13 27339 1 . LEU 14 14 27339 1 . GLN 15 15 27339 1 . THR 16 16 27339 1 . LEU 17 17 27339 1 . ALA 18 18 27339 1 . THR 19 19 27339 1 . GLU 20 20 27339 1 . ALA 21 21 27339 1 . PRO 22 22 27339 1 . GLY 23 23 27339 1 . LEU 24 24 27339 1 . ILE 25 25 27339 1 . PRO 26 26 27339 1 . SER 27 27 27339 1 . PHE 28 28 27339 1 . THR 29 29 27339 1 . PRO 30 30 27339 1 . GLY 31 31 27339 1 . VAL 32 32 27339 1 . GLY 33 33 27339 1 . VAL 34 34 27339 1 . GLY 35 35 27339 1 . VAL 36 36 27339 1 . LEU 37 37 27339 1 . GLY 38 38 27339 1 . THR 39 39 27339 1 . ALA 40 40 27339 1 . ILE 41 41 27339 1 . GLY 42 42 27339 1 . PRO 43 43 27339 1 . VAL 44 44 27339 1 . GLY 45 45 27339 1 . PRO 46 46 27339 1 . VAL 47 47 27339 1 . THR 48 48 27339 1 . PRO 49 49 27339 1 . ILE 50 50 27339 1 . GLY 51 51 27339 1 . PRO 52 52 27339 1 . ILE 53 53 27339 1 . GLY 54 54 27339 1 . PRO 55 55 27339 1 . ILE 56 56 27339 1 . VAL 57 57 27339 1 . PRO 58 58 27339 1 . PHE 59 59 27339 1 . THR 60 60 27339 1 . PRO 61 61 27339 1 . ILE 62 62 27339 1 . GLY 63 63 27339 1 . PRO 64 64 27339 1 . ILE 65 65 27339 1 . GLY 66 66 27339 1 . PRO 67 67 27339 1 . ILE 68 68 27339 1 . GLY 69 69 27339 1 . PRO 70 70 27339 1 . THR 71 71 27339 1 . GLY 72 72 27339 1 . PRO 73 73 27339 1 . ALA 74 74 27339 1 . ALA 75 75 27339 1 . PRO 76 76 27339 1 . PRO 77 77 27339 1 . GLY 78 78 27339 1 . SER 79 79 27339 1 . THR 80 80 27339 1 . GLY 81 81 27339 1 . SER 82 82 27339 1 . GLY 83 83 27339 1 . GLY 84 84 27339 1 . PRO 85 85 27339 1 . THR 86 86 27339 1 . GLY 87 87 27339 1 . PRO 88 88 27339 1 . THR 89 89 27339 1 . VAL 90 90 27339 1 . SER 91 91 27339 1 . SER 92 92 27339 1 . ALA 93 93 27339 1 . ALA 94 94 27339 1 . PRO 95 95 27339 1 . SER 96 96 27339 1 . GLU 97 97 27339 1 . THR 98 98 27339 1 . THR 99 99 27339 1 . SER 100 100 27339 1 . PRO 101 101 27339 1 . THR 102 102 27339 1 . SER 103 103 27339 1 . GLU 104 104 27339 1 . SER 105 105 27339 1 . GLY 106 106 27339 1 . PRO 107 107 27339 1 . ASN 108 108 27339 1 . GLN 109 109 27339 1 . GLN 110 110 27339 1 . PHE 111 111 27339 1 . ILE 112 112 27339 1 . GLN 113 113 27339 1 . GLN 114 114 27339 1 . MET 115 115 27339 1 . VAL 116 116 27339 1 . GLN 117 117 27339 1 . ALA 118 118 27339 1 . LEU 119 119 27339 1 . ALA 120 120 27339 1 . GLY 121 121 27339 1 . ALA 122 122 27339 1 . ASN 123 123 27339 1 . ALA 124 124 27339 1 . PRO 125 125 27339 1 . GLN 126 126 27339 1 . LEU 127 127 27339 1 . PRO 128 128 27339 1 . ASN 129 129 27339 1 . PRO 130 130 27339 1 . GLU 131 131 27339 1 . VAL 132 132 27339 1 . ARG 133 133 27339 1 . PHE 134 134 27339 1 . GLN 135 135 27339 1 . GLN 136 136 27339 1 . GLN 137 137 27339 1 . LEU 138 138 27339 1 . GLU 139 139 27339 1 . GLN 140 140 27339 1 . LEU 141 141 27339 1 . ASN 142 142 27339 1 . ALA 143 143 27339 1 . MET 144 144 27339 1 . GLY 145 145 27339 1 . PHE 146 146 27339 1 . LEU 147 147 27339 1 . ASN 148 148 27339 1 . ARG 149 149 27339 1 . GLU 150 150 27339 1 . ALA 151 151 27339 1 . ASN 152 152 27339 1 . LEU 153 153 27339 1 . GLN 154 154 27339 1 . ALA 155 155 27339 1 . LEU 156 156 27339 1 . ILE 157 157 27339 1 . ALA 158 158 27339 1 . THR 159 159 27339 1 . GLY 160 160 27339 1 . GLY 161 161 27339 1 . ASP 162 162 27339 1 . ILE 163 163 27339 1 . ASN 164 164 27339 1 . ALA 165 165 27339 1 . ALA 166 166 27339 1 . ILE 167 167 27339 1 . GLU 168 168 27339 1 . ARG 169 169 27339 1 . LEU 170 170 27339 1 . LEU 171 171 27339 1 . GLY 172 172 27339 1 . SER 173 173 27339 1 . GLN 174 174 27339 1 . PRO 175 175 27339 1 . SER 176 176 27339 1 . TRP 177 177 27339 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27339 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UBQLN2_450-624 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . UBQLN2 . 27339 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 27339 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UBQLN2_450-624 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24b . . . 27339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_450C _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_450C _Sample.Entry_ID 27339 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'UBQLN2 450-624' '[U-99% 13C; U-99% 15N]' . . 1 $UBQLN2_450-624 . . 200 . . uM . . . . 27339 1 2 'Na Phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27339 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27339 1 stop_ save_ ####################### # Sample conditions # ####################### save_buffer_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode buffer_conditions _Sample_condition_list.Entry_ID 27339 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; pH 6.8 20 mM NaPhosphate 0.1 mM EDTA ; 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' 20 . mM 27339 1 pH 6.8 . pH 27339 1 pressure 1 . atm 27339 1 temperature 273 . K 27339 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27339 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27339 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27339 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 27339 _Software.ID 2 _Software.Type . _Software.Name CCPNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27339 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27339 2 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 27339 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27339 _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 Bruker Avance . 800 . . . 27339 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 27339 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 2 '3D HNCACB' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 4 '3D HNCA' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 7 '2D N-CO (C-detect)' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 8 '3D HACANCACON (C-detect)' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 1 9 '3D HACANCANCO (C-detect)' no . . . . . . . . . . 1 $13C_15N_450C isotropic . . 1 $buffer_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27339 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 27339 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 27339 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27339 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27339 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 27339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $buffer_conditions _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 1 '3D HNCO' . . . 27339 1 2 '3D HNCACB' . . . 27339 1 3 '3D CBCA(CO)NH' . . . 27339 1 4 '3D HNCA' . . . 27339 1 5 '3D HN(CA)CO' . . . 27339 1 6 '2D 1H-15N HSQC' . . . 27339 1 7 '2D N-CO (C-detect)' . . . 27339 1 8 '3D HACANCACON (C-detect)' . . . 27339 1 9 '3D HACANCANCO (C-detect)' . . . 27339 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.Ambiguity_set_ID _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 2 2 ARG C C 13 175.6789 . . . . . . . . 450 R CO . 27339 1 2 . 1 1 2 2 ARG CA C 13 56.2481 . . . . . . . . 450 R CA . 27339 1 3 . 1 1 2 2 ARG CB C 13 30.9804 . . . . . . . . 450 R CB . 27339 1 4 . 1 1 3 3 ALA H H 1 8.5566 . . . . . . . . 451 A HN . 27339 1 5 . 1 1 3 3 ALA C C 13 177.8417 . . . . . . . . 451 A CO . 27339 1 6 . 1 1 3 3 ALA CA C 13 52.6536 . . . . . . . . 451 A CA . 27339 1 7 . 1 1 3 3 ALA CB C 13 19.0363 . . . . . . . . 451 A CB . 27339 1 8 . 1 1 3 3 ALA N N 15 126.9293 . . . . . . . . 451 A N . 27339 1 9 . 1 1 4 4 MET H H 1 8.4499 . . . . . . . . 452 M HN . 27339 1 10 . 1 1 4 4 MET C C 13 176.4783 . . . . . . . . 452 M CO . 27339 1 11 . 1 1 4 4 MET CA C 13 55.8082 . . . . . . . . 452 M CA . 27339 1 12 . 1 1 4 4 MET CB C 13 32.7108 . . . . . . . . 452 M CB . 27339 1 13 . 1 1 4 4 MET N N 15 120.6589 . . . . . . . . 452 M N . 27339 1 14 . 1 1 5 5 GLN H H 1 8.3456 . . . . . . . . 453 Q HN . 27339 1 15 . 1 1 5 5 GLN C C 13 175.8862 . . . . . . . . 453 Q CO . 27339 1 16 . 1 1 5 5 GLN CA C 13 56.3040 . . . . . . . . 453 Q CA . 27339 1 17 . 1 1 5 5 GLN CB C 13 29.3082 . . . . . . . . 453 Q CB . 27339 1 18 . 1 1 5 5 GLN N N 15 122.2548 . . . . . . . . 453 Q N . 27339 1 19 . 1 1 6 6 ALA H H 1 8.3239 . . . . . . . . 454 A HN . 27339 1 20 . 1 1 6 6 ALA C C 13 177.9613 . . . . . . . . 454 A CO . 27339 1 21 . 1 1 6 6 ALA N N 15 125.7804 . . . . . . . . 454 A N . 27339 1 22 . 1 1 7 7 LEU C C 13 177.6968 . . . . . . . . 455 L CO . 27339 1 23 . 1 1 7 7 LEU CA C 13 55.7285 . . . . . . . . 455 L CA . 27339 1 24 . 1 1 7 7 LEU CB C 13 42.1819 . . . . . . . . 455 L CB . 27339 1 25 . 1 1 8 8 MET H H 1 8.2364 . . . . . . . . 456 M HN . 27339 1 26 . 1 1 8 8 MET C C 13 176.3204 . . . . . . . . 456 M CO . 27339 1 27 . 1 1 8 8 MET CA C 13 55.7770 . . . . . . . . 456 M CA . 27339 1 28 . 1 1 8 8 MET CB C 13 32.6932 . . . . . . . . 456 M CB . 27339 1 29 . 1 1 8 8 MET N N 15 121.1294 . . . . . . . . 456 M N . 27339 1 30 . 1 1 9 9 GLN C C 13 176.2341 . . . . . . . . 457 Q CO . 27339 1 31 . 1 1 9 9 GLN CA C 13 56.2004 . . . . . . . . 457 Q CA . 27339 1 32 . 1 1 9 9 GLN CB C 13 29.4180 . . . . . . . . 457 Q CB . 27339 1 33 . 1 1 10 10 ILE H H 1 8.1557 . . . . . . . . 458 I HN . 27339 1 34 . 1 1 10 10 ILE C C 13 176.6066 . . . . . . . . 458 I CO . 27339 1 35 . 1 1 10 10 ILE CA C 13 61.6728 . . . . . . . . 458 I CA . 27339 1 36 . 1 1 10 10 ILE CB C 13 38.5964 . . . . . . . . 458 I CB . 27339 1 37 . 1 1 10 10 ILE N N 15 122.8558 . . . . . . . . 458 I N . 27339 1 38 . 1 1 11 11 GLN H H 1 8.4457 . . . . . . . . 459 Q HN . 27339 1 39 . 1 1 11 11 GLN C C 13 176.0712 . . . . . . . . 459 Q CO . 27339 1 40 . 1 1 11 11 GLN CA C 13 56.1870 . . . . . . . . 459 Q CA . 27339 1 41 . 1 1 11 11 GLN CB C 13 29.2295 . . . . . . . . 459 Q CB . 27339 1 42 . 1 1 11 11 GLN N N 15 124.7375 . . . . . . . . 459 Q N . 27339 1 43 . 1 1 12 12 GLN H H 1 8.4537 . . . . . . . . 460 Q HN . 27339 1 44 . 1 1 12 12 GLN C C 13 176.5460 . . . . . . . . 460 Q CO . 27339 1 45 . 1 1 12 12 GLN CA C 13 56.3188 . . . . . . . . 460 Q CA . 27339 1 46 . 1 1 12 12 GLN CB C 13 29.4453 . . . . . . . . 460 Q CB . 27339 1 47 . 1 1 12 12 GLN N N 15 122.5178 . . . . . . . . 460 Q N . 27339 1 48 . 1 1 13 13 GLY H H 1 8.4098 . . . . . . . . 461 G HN . 27339 1 49 . 1 1 13 13 GLY C C 13 174.1530 . . . . . . . . 461 G CO . 27339 1 50 . 1 1 13 13 GLY CA C 13 45.3805 . . . . . . . . 461 G CA . 27339 1 51 . 1 1 13 13 GLY N N 15 110.4075 . . . . . . . . 461 G N . 27339 1 52 . 1 1 14 14 LEU H H 1 8.0932 . . . . . . . . 462 L HN . 27339 1 53 . 1 1 14 14 LEU C C 13 177.6083 . . . . . . . . 462 L CO . 27339 1 54 . 1 1 14 14 LEU CA C 13 55.3482 . . . . . . . . 462 L CA . 27339 1 55 . 1 1 14 14 LEU CB C 13 42.4019 . . . . . . . . 462 L CB . 27339 1 56 . 1 1 14 14 LEU N N 15 122.1193 . . . . . . . . 462 L N . 27339 1 57 . 1 1 15 15 GLN C C 13 176.0697 . . . . . . . . 463 Q CO . 27339 1 58 . 1 1 15 15 GLN CA C 13 55.9791 . . . . . . . . 463 Q CA . 27339 1 59 . 1 1 15 15 GLN CB C 13 29.4388 . . . . . . . . 463 Q CB . 27339 1 60 . 1 1 16 16 THR H H 1 8.1807 . . . . . . . . 464 T HN . 27339 1 61 . 1 1 16 16 THR C C 13 174.3437 . . . . . . . . 464 T CO . 27339 1 62 . 1 1 16 16 THR CA C 13 62.0369 . . . . . . . . 464 T CA . 27339 1 63 . 1 1 16 16 THR CB C 13 69.8267 . . . . . . . . 464 T CB . 27339 1 64 . 1 1 16 16 THR N N 15 116.8735 . . . . . . . . 464 T N . 27339 1 65 . 1 1 17 17 LEU H H 1 8.2942 . . . . . . . . 465 L HN . 27339 1 66 . 1 1 17 17 LEU C C 13 177.1270 . . . . . . . . 465 L CO . 27339 1 67 . 1 1 17 17 LEU CA C 13 55.1398 . . . . . . . . 465 L CA . 27339 1 68 . 1 1 17 17 LEU CB C 13 42.4927 . . . . . . . . 465 L CB . 27339 1 69 . 1 1 17 17 LEU N N 15 125.6094 . . . . . . . . 465 L N . 27339 1 70 . 1 1 18 18 ALA H H 1 8.3694 . . . . . . . . 466 A HN . 27339 1 71 . 1 1 18 18 ALA C C 13 177.8732 . . . . . . . . 466 A CO . 27339 1 72 . 1 1 18 18 ALA CA C 13 52.6722 . . . . . . . . 466 A CA . 27339 1 73 . 1 1 18 18 ALA CB C 13 19.1378 . . . . . . . . 466 A CB . 27339 1 74 . 1 1 18 18 ALA N N 15 126.0018 . . . . . . . . 466 A N . 27339 1 75 . 1 1 19 19 THR H H 1 8.0470 . . . . . . . . 467 T HN . 27339 1 76 . 1 1 19 19 THR C C 13 174.4523 . . . . . . . . 467 T CO . 27339 1 77 . 1 1 19 19 THR CA C 13 61.9090 . . . . . . . . 467 T CA . 27339 1 78 . 1 1 19 19 THR CB C 13 69.8142 . . . . . . . . 467 T CB . 27339 1 79 . 1 1 19 19 THR N N 15 113.7056 . . . . . . . . 467 T N . 27339 1 80 . 1 1 20 20 GLU H H 1 8.2414 . . . . . . . . 468 E HN . 27339 1 81 . 1 1 20 20 GLU C C 13 175.6936 . . . . . . . . 468 E CO . 27339 1 82 . 1 1 20 20 GLU CA C 13 56.2488 . . . . . . . . 468 E CA . 27339 1 83 . 1 1 20 20 GLU CB C 13 30.5517 . . . . . . . . 468 E CB . 27339 1 84 . 1 1 20 20 GLU N N 15 123.4152 . . . . . . . . 468 E N . 27339 1 85 . 1 1 21 21 ALA H H 1 8.3681 . . . . . . . . 469 A HN . 27339 1 86 . 1 1 21 21 ALA C C 13 175.3508 . . . . . . . . 469 A CO . 27339 1 87 . 1 1 21 21 ALA CA C 13 50.5399 . . . . . . . . 469 A CA . 27339 1 88 . 1 1 21 21 ALA CB C 13 18.1127 . . . . . . . . 469 A CB . 27339 1 89 . 1 1 21 21 ALA N N 15 127.4942 . . . . . . . . 469 A N . 27339 1 90 . 1 1 22 22 PRO C C 13 177.5826 . . . . . . . . 470 P CO . 27339 1 91 . 1 1 22 22 PRO CA C 13 63.3649 . . . . . . . . 470 P CA . 27339 1 92 . 1 1 22 22 PRO CB C 13 32.0448 . . . . . . . . 470 P CB . 27339 1 93 . 1 1 23 23 GLY H H 1 8.4246 . . . . . . . . 471 G HN . 27339 1 94 . 1 1 23 23 GLY C C 13 173.8638 . . . . . . . . 471 G CO . 27339 1 95 . 1 1 23 23 GLY CA C 13 45.1336 . . . . . . . . 471 G CA . 27339 1 96 . 1 1 23 23 GLY N N 15 109.5007 . . . . . . . . 471 G N . 27339 1 97 . 1 1 24 24 LEU H H 1 8.0302 . . . . . . . . 472 L HN . 27339 1 98 . 1 1 24 24 LEU C C 13 177.1913 . . . . . . . . 472 L CO . 27339 1 99 . 1 1 24 24 LEU CA C 13 55.2134 . . . . . . . . 472 L CA . 27339 1 100 . 1 1 24 24 LEU CB C 13 42.3948 . . . . . . . . 472 L CB . 27339 1 101 . 1 1 24 24 LEU N N 15 122.3052 . . . . . . . . 472 L N . 27339 1 102 . 1 1 25 25 ILE H H 1 8.2274 . . . . . . . . 473 I HN . 27339 1 103 . 1 1 25 25 ILE C C 13 174.5780 . . . . . . . . 473 I CO . 27339 1 104 . 1 1 25 25 ILE CA C 13 58.4326 . . . . . . . . 473 I CA . 27339 1 105 . 1 1 25 25 ILE CB C 13 38.4189 . . . . . . . . 473 I CB . 27339 1 106 . 1 1 25 25 ILE N N 15 124.7916 . . . . . . . . 473 I N . 27339 1 107 . 1 1 26 26 PRO C C 13 176.6433 . . . . . . . . 474 P CO . 27339 1 108 . 1 1 26 26 PRO CA C 13 63.2553 . . . . . . . . 474 P CA . 27339 1 109 . 1 1 26 26 PRO CB C 13 32.2239 . . . . . . . . 474 P CB . 27339 1 110 . 1 1 26 26 PRO N N 15 140.7837 . . . . . . . . 474 P N . 27339 1 111 . 1 1 27 27 SER H H 1 8.3464 . . . . . . . . 475 S HN . 27339 1 112 . 1 1 27 27 SER C C 13 173.9952 . . . . . . . . 475 S CO . 27339 1 113 . 1 1 27 27 SER CA C 13 58.3243 . . . . . . . . 475 S CA . 27339 1 114 . 1 1 27 27 SER CB C 13 63.9125 . . . . . . . . 475 S CB . 27339 1 115 . 1 1 27 27 SER N N 15 116.6805 . . . . . . . . 475 S N . 27339 1 116 . 1 1 28 28 PHE H H 1 8.2466 . . . . . . . . 476 F HN . 27339 1 117 . 1 1 28 28 PHE C C 13 175.1369 . . . . . . . . 476 F CO . 27339 1 118 . 1 1 28 28 PHE CA C 13 57.6242 . . . . . . . . 476 F CA . 27339 1 119 . 1 1 28 28 PHE CB C 13 39.9624 . . . . . . . . 476 F CB . 27339 1 120 . 1 1 28 28 PHE N N 15 122.9682 . . . . . . . . 476 F N . 27339 1 121 . 1 1 29 29 THR H H 1 8.1800 . . . . . . . . 477 T HN . 27339 1 122 . 1 1 29 29 THR C C 13 172.0823 . . . . . . . . 477 T CO . 27339 1 123 . 1 1 29 29 THR CA C 13 59.3098 . . . . . . . . 477 T CA . 27339 1 124 . 1 1 29 29 THR CB C 13 70.0719 . . . . . . . . 477 T CB . 27339 1 125 . 1 1 29 29 THR N N 15 120.9910 . . . . . . . . 477 T N . 27339 1 126 . 1 1 30 30 PRO CA C 13 63.3027 . . . . . . . . 478 P CA . 27339 1 127 . 1 1 30 30 PRO CB C 13 32.1365 . . . . . . . . 478 P CB . 27339 1 128 . 1 1 30 30 PRO N N 15 138.9852 . . . . . . . . 478 P N . 27339 1 129 . 1 1 31 31 GLY H H 1 8.4685 . . . . . . . . 479 G HN . 27339 1 130 . 1 1 31 31 GLY C C 13 173.9872 . . . . . . . . 479 G CO . 27339 1 131 . 1 1 31 31 GLY CA C 13 45.1647 . . . . . . . . 479 G CA . 27339 1 132 . 1 1 31 31 GLY N N 15 110.0771 . . . . . . . . 479 G N . 27339 1 133 . 1 1 32 32 VAL H H 1 7.9839 . . . . . . . . 480 V HN . 27339 1 134 . 1 1 32 32 VAL C C 13 176.7126 . . . . . . . . 480 V CO . 27339 1 135 . 1 1 32 32 VAL CA C 13 62.4484 . . . . . . . . 480 V CA . 27339 1 136 . 1 1 32 32 VAL CB C 13 32.7256 . . . . . . . . 480 V CB . 27339 1 137 . 1 1 32 32 VAL N N 15 119.9246 . . . . . . . . 480 V N . 27339 1 138 . 1 1 33 33 GLY C C 13 174.0109 . . . . . . . . 481 G CO . 27339 1 139 . 1 1 33 33 GLY CA C 13 45.1603 . . . . . . . . 481 G CA . 27339 1 140 . 1 1 34 34 VAL H H 1 8.0383 . . . . . . . . 482 V HN . 27339 1 141 . 1 1 34 34 VAL C C 13 176.7965 . . . . . . . . 482 V CO . 27339 1 142 . 1 1 34 34 VAL CA C 13 62.4607 . . . . . . . . 482 V CA . 27339 1 143 . 1 1 34 34 VAL CB C 13 32.6863 . . . . . . . . 482 V CB . 27339 1 144 . 1 1 34 34 VAL N N 15 119.7206 . . . . . . . . 482 V N . 27339 1 145 . 1 1 35 35 GLY H H 1 8.5206 . . . . . . . . 483 G HN . 27339 1 146 . 1 1 35 35 GLY C C 13 174.0708 . . . . . . . . 483 G CO . 27339 1 147 . 1 1 35 35 GLY CA C 13 45.1641 . . . . . . . . 483 G CA . 27339 1 148 . 1 1 35 35 GLY N N 15 113.3379 . . . . . . . . 483 G N . 27339 1 149 . 1 1 36 36 VAL H H 1 8.0070 . . . . . . . . 484 V HN . 27339 1 150 . 1 1 36 36 VAL C C 13 176.4322 . . . . . . . . 484 V CO . 27339 1 151 . 1 1 36 36 VAL CA C 13 62.4737 . . . . . . . . 484 V CA . 27339 1 152 . 1 1 36 36 VAL CB C 13 32.6731 . . . . . . . . 484 V CB . 27339 1 153 . 1 1 36 36 VAL N N 15 120.1434 . . . . . . . . 484 V N . 27339 1 154 . 1 1 37 37 LEU H H 1 8.3976 . . . . . . . . 485 L HN . 27339 1 155 . 1 1 37 37 LEU C C 13 177.8944 . . . . . . . . 485 L CO . 27339 1 156 . 1 1 37 37 LEU CA C 13 55.3556 . . . . . . . . 485 L CA . 27339 1 157 . 1 1 37 37 LEU CB C 13 42.2924 . . . . . . . . 485 L CB . 27339 1 158 . 1 1 37 37 LEU N N 15 126.3585 . . . . . . . . 485 L N . 27339 1 159 . 1 1 38 38 GLY H H 1 8.4021 . . . . . . . . 486 G HN . 27339 1 160 . 1 1 38 38 GLY C C 13 174.1473 . . . . . . . . 486 G CO . 27339 1 161 . 1 1 38 38 GLY CA C 13 45.3133 . . . . . . . . 486 G CA . 27339 1 162 . 1 1 38 38 GLY N N 15 110.4683 . . . . . . . . 486 G N . 27339 1 163 . 1 1 39 39 THR H H 1 7.9515 . . . . . . . . 487 T HN . 27339 1 164 . 1 1 39 39 THR C C 13 174.1989 . . . . . . . . 487 T CO . 27339 1 165 . 1 1 39 39 THR CA C 13 61.7605 . . . . . . . . 487 T CA . 27339 1 166 . 1 1 39 39 THR CB C 13 69.9673 . . . . . . . . 487 T CB . 27339 1 167 . 1 1 39 39 THR N N 15 114.1623 . . . . . . . . 487 T N . 27339 1 168 . 1 1 40 40 ALA H H 1 8.3477 . . . . . . . . 488 A HN . 27339 1 169 . 1 1 40 40 ALA C C 13 177.4656 . . . . . . . . 488 A CO . 27339 1 170 . 1 1 40 40 ALA CA C 13 52.5240 . . . . . . . . 488 A CA . 27339 1 171 . 1 1 40 40 ALA CB C 13 19.1966 . . . . . . . . 488 A CB . 27339 1 172 . 1 1 40 40 ALA N N 15 127.4980 . . . . . . . . 488 A N . 27339 1 173 . 1 1 41 41 ILE H H 1 8.1640 . . . . . . . . 489 I HN . 27339 1 174 . 1 1 41 41 ILE C C 13 176.4071 . . . . . . . . 489 I CO . 27339 1 175 . 1 1 41 41 ILE CA C 13 61.1161 . . . . . . . . 489 I CA . 27339 1 176 . 1 1 41 41 ILE CB C 13 38.8086 . . . . . . . . 489 I CB . 27339 1 177 . 1 1 41 41 ILE N N 15 121.1181 . . . . . . . . 489 I N . 27339 1 178 . 1 1 44 44 VAL H H 1 8.2334 . . . . . . . . 492 V HN . 27339 1 179 . 1 1 44 44 VAL C C 13 176.4429 . . . . . . . . 492 V CO . 27339 1 180 . 1 1 44 44 VAL CA C 13 62.2224 . . . . . . . . 492 V CA . 27339 1 181 . 1 1 44 44 VAL CB C 13 32.8897 . . . . . . . . 492 V CB . 27339 1 182 . 1 1 44 44 VAL N N 15 121.1747 . . . . . . . . 492 V N . 27339 1 183 . 1 1 45 45 GLY H H 1 8.2786 . . . . . . . . 493 G HN . 27339 1 184 . 1 1 45 45 GLY C C 13 171.4825 . . . . . . . . 493 G CO . 27339 1 185 . 1 1 45 45 GLY CA C 13 44.3913 . . . . . . . . 493 G CA . 27339 1 186 . 1 1 45 45 GLY N N 15 113.4449 . . . . . . . . 493 G N . 27339 1 187 . 1 1 46 46 PRO CA C 13 62.9690 . . . . . . . . 494 P CA . 27339 1 188 . 1 1 46 46 PRO N N 15 134.6375 . . . . . . . . 494 P N . 27339 1 189 . 1 1 47 47 VAL C C 13 176.3956 . . . . . . . . 495 V CO . 27339 1 190 . 1 1 47 47 VAL CA C 13 62.4444 . . . . . . . . 495 V CA . 27339 1 191 . 1 1 47 47 VAL CB C 13 32.7482 . . . . . . . . 495 V CB . 27339 1 192 . 1 1 48 48 THR H H 1 8.3121 . . . . . . . . 496 T HN . 27339 1 193 . 1 1 48 48 THR C C 13 172.5066 . . . . . . . . 496 T CO . 27339 1 194 . 1 1 48 48 THR CA C 13 59.8899 . . . . . . . . 496 T CA . 27339 1 195 . 1 1 48 48 THR CB C 13 69.7668 . . . . . . . . 496 T CB . 27339 1 196 . 1 1 48 48 THR N N 15 122.5222 . . . . . . . . 496 T N . 27339 1 197 . 1 1 49 49 PRO CA C 13 62.9833 . . . . . . . . 497 P CA . 27339 1 198 . 1 1 49 49 PRO CB C 13 32.1673 . . . . . . . . 497 P CB . 27339 1 199 . 1 1 49 49 PRO N N 15 139.2316 . . . . . . . . 497 P N . 27339 1 200 . 1 1 54 54 GLY H H 1 8.2840 . . . . . . . . 502 G HN . 27339 1 201 . 1 1 54 54 GLY N N 15 113.9851 . . . . . . . . 502 G N . 27339 1 202 . 1 1 56 56 ILE C C 13 176.3765 . . . . . . . . 504 I CO . 27339 1 203 . 1 1 56 56 ILE CA C 13 61.1148 . . . . . . . . 504 I CA . 27339 1 204 . 1 1 56 56 ILE CB C 13 38.3925 . . . . . . . . 504 I CB . 27339 1 205 . 1 1 57 57 VAL H H 1 8.3115 . . . . . . . . 505 V HN . 27339 1 206 . 1 1 57 57 VAL C C 13 174.2595 . . . . . . . . 505 V CO . 27339 1 207 . 1 1 57 57 VAL CA C 13 59.6655 . . . . . . . . 505 V CA . 27339 1 208 . 1 1 57 57 VAL CB C 13 32.6023 . . . . . . . . 505 V CB . 27339 1 209 . 1 1 57 57 VAL N N 15 127.8327 . . . . . . . . 505 V N . 27339 1 210 . 1 1 58 58 PRO CA C 13 63.0329 . . . . . . . . 506 P CA . 27339 1 211 . 1 1 58 58 PRO CB C 13 32.1850 . . . . . . . . 506 P CB . 27339 1 212 . 1 1 58 58 PRO N N 15 139.3577 . . . . . . . . 506 P N . 27339 1 213 . 1 1 59 59 PHE C C 13 175.3097 . . . . . . . . 507 F CO . 27339 1 214 . 1 1 59 59 PHE CA C 13 57.8807 . . . . . . . . 507 F CA . 27339 1 215 . 1 1 59 59 PHE CB C 13 39.7297 . . . . . . . . 507 F CB . 27339 1 216 . 1 1 60 60 THR H H 1 8.0045 . . . . . . . . 508 T HN . 27339 1 217 . 1 1 60 60 THR C C 13 171.6715 . . . . . . . . 508 T CO . 27339 1 218 . 1 1 60 60 THR CA C 13 59.2047 . . . . . . . . 508 T CA . 27339 1 219 . 1 1 60 60 THR CB C 13 70.0784 . . . . . . . . 508 T CB . 27339 1 220 . 1 1 60 60 THR N N 15 121.7923 . . . . . . . . 508 T N . 27339 1 221 . 1 1 61 61 PRO CA C 13 62.8368 . . . . . . . . 509 P CA . 27339 1 222 . 1 1 61 61 PRO CB C 13 32.1441 . . . . . . . . 509 P CB . 27339 1 223 . 1 1 61 61 PRO N N 15 138.3439 . . . . . . . . 509 P N . 27339 1 224 . 1 1 71 71 THR H H 1 8.5254 . . . . . . . . 519 T HN . 27339 1 225 . 1 1 71 71 THR C C 13 174.8119 . . . . . . . . 519 T CO . 27339 1 226 . 1 1 71 71 THR CA C 13 61.7289 . . . . . . . . 519 T CA . 27339 1 227 . 1 1 71 71 THR CB C 13 70.0604 . . . . . . . . 519 T CB . 27339 1 228 . 1 1 71 71 THR N N 15 116.1433 . . . . . . . . 519 T N . 27339 1 229 . 1 1 72 72 GLY H H 1 8.1878 . . . . . . . . 520 G HN . 27339 1 230 . 1 1 72 72 GLY C C 13 171.6097 . . . . . . . . 520 G CO . 27339 1 231 . 1 1 72 72 GLY CA C 13 44.5740 . . . . . . . . 520 G CA . 27339 1 232 . 1 1 72 72 GLY N N 15 111.8857 . . . . . . . . 520 G N . 27339 1 233 . 1 1 73 73 PRO C C 13 176.6937 . . . . . . . . 521 P CO . 27339 1 234 . 1 1 73 73 PRO CA C 13 63.0286 . . . . . . . . 521 P CA . 27339 1 235 . 1 1 73 73 PRO CB C 13 32.2061 . . . . . . . . 521 P CB . 27339 1 236 . 1 1 74 74 ALA H H 1 8.3913 . . . . . . . . 522 A HN . 27339 1 237 . 1 1 74 74 ALA C C 13 177.1195 . . . . . . . . 522 A CO . 27339 1 238 . 1 1 74 74 ALA CA C 13 52.1275 . . . . . . . . 522 A CA . 27339 1 239 . 1 1 74 74 ALA CB C 13 19.2187 . . . . . . . . 522 A CB . 27339 1 240 . 1 1 74 74 ALA N N 15 125.1972 . . . . . . . . 522 A N . 27339 1 241 . 1 1 75 75 ALA H H 1 8.2605 . . . . . . . . 523 A HN . 27339 1 242 . 1 1 75 75 ALA C C 13 175.0466 . . . . . . . . 523 A CO . 27339 1 243 . 1 1 75 75 ALA CA C 13 50.2617 . . . . . . . . 523 A CA . 27339 1 244 . 1 1 75 75 ALA CB C 13 18.0298 . . . . . . . . 523 A CB . 27339 1 245 . 1 1 75 75 ALA N N 15 125.5819 . . . . . . . . 523 A N . 27339 1 246 . 1 1 76 76 PRO C C 13 174.9232 . . . . . . . . 524 P CO . 27339 1 247 . 1 1 76 76 PRO CA C 13 61.3734 . . . . . . . . 524 P CA . 27339 1 248 . 1 1 76 76 PRO CB C 13 30.7103 . . . . . . . . 524 P CB . 27339 1 249 . 1 1 76 76 PRO N N 15 137.3234 . . . . . . . . 524 P N . 27339 1 250 . 1 1 77 77 PRO C C 13 177.6528 . . . . . . . . 525 P CO . 27339 1 251 . 1 1 77 77 PRO CA C 13 63.4172 . . . . . . . . 525 P CA . 27339 1 252 . 1 1 77 77 PRO CB C 13 31.9524 . . . . . . . . 525 P CB . 27339 1 253 . 1 1 77 77 PRO N N 15 136.5709 . . . . . . . . 525 P N . 27339 1 254 . 1 1 78 78 GLY H H 1 8.5586 . . . . . . . . 526 G HN . 27339 1 255 . 1 1 78 78 GLY C C 13 174.4256 . . . . . . . . 526 G CO . 27339 1 256 . 1 1 78 78 GLY CA C 13 45.2156 . . . . . . . . 526 G CA . 27339 1 257 . 1 1 78 78 GLY N N 15 110.4118 . . . . . . . . 526 G N . 27339 1 258 . 1 1 79 79 SER H H 1 8.1800 . . . . . . . . 527 S HN . 27339 1 259 . 1 1 79 79 SER C C 13 175.0646 . . . . . . . . 527 S CO . 27339 1 260 . 1 1 79 79 SER CA C 13 58.5885 . . . . . . . . 527 S CA . 27339 1 261 . 1 1 79 79 SER CB C 13 64.0190 . . . . . . . . 527 S CB . 27339 1 262 . 1 1 79 79 SER N N 15 116.1442 . . . . . . . . 527 S N . 27339 1 263 . 1 1 80 80 THR H H 1 8.3087 . . . . . . . . 528 T HN . 27339 1 264 . 1 1 80 80 THR C C 13 175.2439 . . . . . . . . 528 T CO . 27339 1 265 . 1 1 80 80 THR CA C 13 62.1574 . . . . . . . . 528 T CA . 27339 1 266 . 1 1 80 80 THR CB C 13 69.7927 . . . . . . . . 528 T CB . 27339 1 267 . 1 1 80 80 THR N N 15 116.0635 . . . . . . . . 528 T N . 27339 1 268 . 1 1 81 81 GLY H H 1 8.4300 . . . . . . . . 529 G HN . 27339 1 269 . 1 1 81 81 GLY C C 13 174.3636 . . . . . . . . 529 G CO . 27339 1 270 . 1 1 81 81 GLY CA C 13 45.3484 . . . . . . . . 529 G CA . 27339 1 271 . 1 1 81 81 GLY N N 15 111.8836 . . . . . . . . 529 G N . 27339 1 272 . 1 1 82 82 SER H H 1 8.3262 . . . . . . . . 530 S HN . 27339 1 273 . 1 1 82 82 SER C C 13 175.1180 . . . . . . . . 530 S CO . 27339 1 274 . 1 1 82 82 SER CA C 13 58.5751 . . . . . . . . 530 S CA . 27339 1 275 . 1 1 82 82 SER CB C 13 63.9327 . . . . . . . . 530 S CB . 27339 1 276 . 1 1 82 82 SER N N 15 116.3938 . . . . . . . . 530 S N . 27339 1 277 . 1 1 83 83 GLY H H 1 8.5245 . . . . . . . . 531 G HN . 27339 1 278 . 1 1 83 83 GLY C C 13 174.3222 . . . . . . . . 531 G CO . 27339 1 279 . 1 1 83 83 GLY CA C 13 45.2316 . . . . . . . . 531 G CA . 27339 1 280 . 1 1 83 83 GLY N N 15 111.6073 . . . . . . . . 531 G N . 27339 1 281 . 1 1 84 84 GLY H H 1 8.1205 . . . . . . . . 532 G HN . 27339 1 282 . 1 1 84 84 GLY C C 13 171.8807 . . . . . . . . 532 G CO . 27339 1 283 . 1 1 84 84 GLY CA C 13 44.4533 . . . . . . . . 532 G CA . 27339 1 284 . 1 1 84 84 GLY N N 15 109.4522 . . . . . . . . 532 G N . 27339 1 285 . 1 1 85 85 PRO N N 15 134.8514 . . . . . . . . 533 P N . 27339 1 286 . 1 1 86 86 THR H H 1 8.3143 . . . . . . . . 534 T HN . 27339 1 287 . 1 1 86 86 THR C C 13 174.8095 . . . . . . . . 534 T CO . 27339 1 288 . 1 1 86 86 THR CA C 13 61.7175 . . . . . . . . 534 T CA . 27339 1 289 . 1 1 86 86 THR CB C 13 70.0473 . . . . . . . . 534 T CB . 27339 1 290 . 1 1 86 86 THR N N 15 114.4219 . . . . . . . . 534 T N . 27339 1 291 . 1 1 87 87 GLY H H 1 8.1708 . . . . . . . . 535 G HN . 27339 1 292 . 1 1 87 87 GLY C C 13 171.6247 . . . . . . . . 535 G CO . 27339 1 293 . 1 1 87 87 GLY CA C 13 44.6010 . . . . . . . . 535 G CA . 27339 1 294 . 1 1 87 87 GLY N N 15 111.8508 . . . . . . . . 535 G N . 27339 1 295 . 1 1 88 88 PRO C C 13 177.2520 . . . . . . . . 536 P CO . 27339 1 296 . 1 1 88 88 PRO CA C 13 63.1651 . . . . . . . . 536 P CA . 27339 1 297 . 1 1 88 88 PRO CB C 13 32.2565 . . . . . . . . 536 P CB . 27339 1 298 . 1 1 89 89 THR H H 1 8.3710 . . . . . . . . 537 T HN . 27339 1 299 . 1 1 89 89 THR C C 13 174.6525 . . . . . . . . 537 T CO . 27339 1 300 . 1 1 89 89 THR CA C 13 62.1281 . . . . . . . . 537 T CA . 27339 1 301 . 1 1 89 89 THR CB C 13 69.8850 . . . . . . . . 537 T CB . 27339 1 302 . 1 1 89 89 THR N N 15 116.0127 . . . . . . . . 537 T N . 27339 1 303 . 1 1 90 90 VAL H H 1 8.2399 . . . . . . . . 538 V HN . 27339 1 304 . 1 1 90 90 VAL C C 13 176.0871 . . . . . . . . 538 V CO . 27339 1 305 . 1 1 90 90 VAL CA C 13 62.1667 . . . . . . . . 538 V CA . 27339 1 306 . 1 1 90 90 VAL CB C 13 32.9558 . . . . . . . . 538 V CB . 27339 1 307 . 1 1 90 90 VAL N N 15 123.8325 . . . . . . . . 538 V N . 27339 1 308 . 1 1 91 91 SER H H 1 8.4809 . . . . . . . . 539 S HN . 27339 1 309 . 1 1 91 91 SER C C 13 174.5493 . . . . . . . . 539 S CO . 27339 1 310 . 1 1 91 91 SER CA C 13 58.2571 . . . . . . . . 539 S CA . 27339 1 311 . 1 1 91 91 SER CB C 13 63.9069 . . . . . . . . 539 S CB . 27339 1 312 . 1 1 91 91 SER N N 15 120.7255 . . . . . . . . 539 S N . 27339 1 313 . 1 1 92 92 SER H H 1 8.4046 . . . . . . . . 540 S HN . 27339 1 314 . 1 1 92 92 SER C C 13 173.9229 . . . . . . . . 540 S CO . 27339 1 315 . 1 1 92 92 SER CA C 13 58.3106 . . . . . . . . 540 S CA . 27339 1 316 . 1 1 92 92 SER CB C 13 63.8843 . . . . . . . . 540 S CB . 27339 1 317 . 1 1 92 92 SER N N 15 119.1646 . . . . . . . . 540 S N . 27339 1 318 . 1 1 93 93 ALA H H 1 8.2642 . . . . . . . . 541 A HN . 27339 1 319 . 1 1 93 93 ALA C C 13 177.0396 . . . . . . . . 541 A CO . 27339 1 320 . 1 1 93 93 ALA CA C 13 52.2018 . . . . . . . . 541 A CA . 27339 1 321 . 1 1 93 93 ALA CB C 13 19.3326 . . . . . . . . 541 A CB . 27339 1 322 . 1 1 93 93 ALA N N 15 126.6246 . . . . . . . . 541 A N . 27339 1 323 . 1 1 94 94 ALA H H 1 8.3016 . . . . . . . . 542 A HN . 27339 1 324 . 1 1 94 94 ALA C C 13 175.5893 . . . . . . . . 542 A CO . 27339 1 325 . 1 1 94 94 ALA CA C 13 50.5117 . . . . . . . . 542 A CA . 27339 1 326 . 1 1 94 94 ALA CB C 13 17.9271 . . . . . . . . 542 A CB . 27339 1 327 . 1 1 94 94 ALA N N 15 125.8881 . . . . . . . . 542 A N . 27339 1 328 . 1 1 95 95 PRO C C 13 177.0533 . . . . . . . . 543 P CO . 27339 1 329 . 1 1 95 95 PRO CA C 13 63.1910 . . . . . . . . 543 P CA . 27339 1 330 . 1 1 95 95 PRO CB C 13 32.0664 . . . . . . . . 543 P CB . 27339 1 331 . 1 1 95 95 PRO N N 15 136.4432 . . . . . . . . 543 P N . 27339 1 332 . 1 1 96 96 SER H H 1 8.4284 . . . . . . . . 544 S HN . 27339 1 333 . 1 1 96 96 SER C C 13 174.6929 . . . . . . . . 544 S CO . 27339 1 334 . 1 1 96 96 SER CA C 13 58.5019 . . . . . . . . 544 S CA . 27339 1 335 . 1 1 96 96 SER CB C 13 63.8214 . . . . . . . . 544 S CB . 27339 1 336 . 1 1 96 96 SER N N 15 116.8017 . . . . . . . . 544 S N . 27339 1 337 . 1 1 97 97 GLU H H 1 8.5238 . . . . . . . . 545 E HN . 27339 1 338 . 1 1 97 97 GLU C C 13 176.6650 . . . . . . . . 545 E CO . 27339 1 339 . 1 1 97 97 GLU CA C 13 56.6703 . . . . . . . . 545 E CA . 27339 1 340 . 1 1 97 97 GLU CB C 13 30.3361 . . . . . . . . 545 E CB . 27339 1 341 . 1 1 97 97 GLU N N 15 123.5321 . . . . . . . . 545 E N . 27339 1 342 . 1 1 98 98 THR H H 1 8.2749 . . . . . . . . 546 T HN . 27339 1 343 . 1 1 98 98 THR C C 13 174.6270 . . . . . . . . 546 T CO . 27339 1 344 . 1 1 98 98 THR CA C 13 61.9257 . . . . . . . . 546 T CA . 27339 1 345 . 1 1 98 98 THR CB C 13 69.8312 . . . . . . . . 546 T CB . 27339 1 346 . 1 1 98 98 THR N N 15 115.9110 . . . . . . . . 546 T N . 27339 1 347 . 1 1 99 99 THR H H 1 8.1793 . . . . . . . . 547 T HN . 27339 1 348 . 1 1 99 99 THR C C 13 174.3001 . . . . . . . . 547 T CO . 27339 1 349 . 1 1 99 99 THR CA C 13 61.7839 . . . . . . . . 547 T CA . 27339 1 350 . 1 1 99 99 THR CB C 13 69.9468 . . . . . . . . 547 T CB . 27339 1 351 . 1 1 99 99 THR N N 15 117.4884 . . . . . . . . 547 T N . 27339 1 352 . 1 1 100 100 SER H H 1 8.4355 . . . . . . . . 548 S HN . 27339 1 353 . 1 1 100 100 SER C C 13 172.7146 . . . . . . . . 548 S CO . 27339 1 354 . 1 1 100 100 SER CA C 13 56.4677 . . . . . . . . 548 S CA . 27339 1 355 . 1 1 100 100 SER CB C 13 63.2956 . . . . . . . . 548 S CB . 27339 1 356 . 1 1 100 100 SER N N 15 120.7012 . . . . . . . . 548 S N . 27339 1 357 . 1 1 101 101 PRO C C 13 177.2603 . . . . . . . . 549 P CO . 27339 1 358 . 1 1 101 101 PRO CA C 13 63.4118 . . . . . . . . 549 P CA . 27339 1 359 . 1 1 101 101 PRO CB C 13 32.1855 . . . . . . . . 549 P CB . 27339 1 360 . 1 1 101 101 PRO N N 15 138.5137 . . . . . . . . 549 P N . 27339 1 361 . 1 1 102 102 THR H H 1 8.2845 . . . . . . . . 550 T HN . 27339 1 362 . 1 1 102 102 THR C C 13 174.7658 . . . . . . . . 550 T CO . 27339 1 363 . 1 1 102 102 THR CA C 13 61.8217 . . . . . . . . 550 T CA . 27339 1 364 . 1 1 102 102 THR CB C 13 69.8546 . . . . . . . . 550 T CB . 27339 1 365 . 1 1 102 102 THR N N 15 114.6634 . . . . . . . . 550 T N . 27339 1 366 . 1 1 103 103 SER H H 1 8.3107 . . . . . . . . 551 S HN . 27339 1 367 . 1 1 103 103 SER C C 13 174.6502 . . . . . . . . 551 S CO . 27339 1 368 . 1 1 103 103 SER CA C 13 58.5561 . . . . . . . . 551 S CA . 27339 1 369 . 1 1 103 103 SER CB C 13 63.8441 . . . . . . . . 551 S CB . 27339 1 370 . 1 1 103 103 SER N N 15 118.5480 . . . . . . . . 551 S N . 27339 1 371 . 1 1 104 104 GLU H H 1 8.4837 . . . . . . . . 552 E HN . 27339 1 372 . 1 1 104 104 GLU C C 13 176.4927 . . . . . . . . 552 E CO . 27339 1 373 . 1 1 104 104 GLU CA C 13 56.7266 . . . . . . . . 552 E CA . 27339 1 374 . 1 1 104 104 GLU CB C 13 30.2039 . . . . . . . . 552 E CB . 27339 1 375 . 1 1 104 104 GLU N N 15 123.5385 . . . . . . . . 552 E N . 27339 1 376 . 1 1 105 105 SER H H 1 8.3279 . . . . . . . . 553 S HN . 27339 1 377 . 1 1 105 105 SER C C 13 174.6075 . . . . . . . . 553 S CO . 27339 1 378 . 1 1 105 105 SER CA C 13 58.4670 . . . . . . . . 553 S CA . 27339 1 379 . 1 1 105 105 SER CB C 13 64.0014 . . . . . . . . 553 S CB . 27339 1 380 . 1 1 105 105 SER N N 15 117.2258 . . . . . . . . 553 S N . 27339 1 381 . 1 1 106 106 GLY H H 1 8.2445 . . . . . . . . 554 G HN . 27339 1 382 . 1 1 106 106 GLY C C 13 172.0881 . . . . . . . . 554 G CO . 27339 1 383 . 1 1 106 106 GLY CA C 13 44.9082 . . . . . . . . 554 G CA . 27339 1 384 . 1 1 106 106 GLY N N 15 111.3782 . . . . . . . . 554 G N . 27339 1 385 . 1 1 107 107 PRO CA C 13 63.5397 . . . . . . . . 555 P CA . 27339 1 386 . 1 1 107 107 PRO CB C 13 31.9623 . . . . . . . . 555 P CB . 27339 1 387 . 1 1 107 107 PRO N N 15 134.4545 . . . . . . . . 555 P N . 27339 1 388 . 1 1 108 108 ASN H H 1 8.5644 . . . . . . . . 556 N HN . 27339 1 389 . 1 1 108 108 ASN C C 13 175.6156 . . . . . . . . 556 N CO . 27339 1 390 . 1 1 108 108 ASN CA C 13 53.6029 . . . . . . . . 556 N CA . 27339 1 391 . 1 1 108 108 ASN CB C 13 38.5905 . . . . . . . . 556 N CB . 27339 1 392 . 1 1 108 108 ASN N N 15 119.1437 . . . . . . . . 556 N N . 27339 1 393 . 1 1 109 109 GLN H H 1 8.2994 . . . . . . . . 557 Q HN . 27339 1 394 . 1 1 109 109 GLN C C 13 176.3203 . . . . . . . . 557 Q CO . 27339 1 395 . 1 1 109 109 GLN CA C 13 56.8145 . . . . . . . . 557 Q CA . 27339 1 396 . 1 1 109 109 GLN CB C 13 29.0212 . . . . . . . . 557 Q CB . 27339 1 397 . 1 1 109 109 GLN N N 15 121.3445 . . . . . . . . 557 Q N . 27339 1 398 . 1 1 110 110 GLN H H 1 8.3156 . . . . . . . . 558 Q HN . 27339 1 399 . 1 1 110 110 GLN C C 13 176.1937 . . . . . . . . 558 Q CO . 27339 1 400 . 1 1 110 110 GLN CA C 13 56.8580 . . . . . . . . 558 Q CA . 27339 1 401 . 1 1 110 110 GLN CB C 13 29.0476 . . . . . . . . 558 Q CB . 27339 1 402 . 1 1 110 110 GLN N N 15 121.0511 . . . . . . . . 558 Q N . 27339 1 403 . 1 1 111 111 PHE H H 1 8.1605 . . . . . . . . 559 F HN . 27339 1 404 . 1 1 111 111 PHE C C 13 176.1323 . . . . . . . . 559 F CO . 27339 1 405 . 1 1 111 111 PHE CA C 13 58.4866 . . . . . . . . 559 F CA . 27339 1 406 . 1 1 111 111 PHE CB C 13 39.3408 . . . . . . . . 559 F CB . 27339 1 407 . 1 1 111 111 PHE N N 15 121.5918 . . . . . . . . 559 F N . 27339 1 408 . 1 1 112 112 ILE H H 1 7.9649 . . . . . . . . 560 I HN . 27339 1 409 . 1 1 112 112 ILE C C 13 176.5000 . . . . . . . . 560 I CO . 27339 1 410 . 1 1 112 112 ILE CA C 13 61.8929 . . . . . . . . 560 I CA . 27339 1 411 . 1 1 112 112 ILE CB C 13 38.5412 . . . . . . . . 560 I CB . 27339 1 412 . 1 1 112 112 ILE N N 15 123.0735 . . . . . . . . 560 I N . 27339 1 413 . 1 1 113 113 GLN H H 1 8.3286 . . . . . . . . 561 Q HN . 27339 1 414 . 1 1 113 113 GLN C C 13 176.5130 . . . . . . . . 561 Q CO . 27339 1 415 . 1 1 113 113 GLN CA C 13 56.6652 . . . . . . . . 561 Q CA . 27339 1 416 . 1 1 113 113 GLN CB C 13 28.9782 . . . . . . . . 561 Q CB . 27339 1 417 . 1 1 113 113 GLN N N 15 123.8317 . . . . . . . . 561 Q N . 27339 1 418 . 1 1 114 114 GLN CA C 13 56.5789 . . . . . . . . 562 Q CA . 27339 1 419 . 1 1 114 114 GLN CB C 13 29.2000 . . . . . . . . 562 Q CB . 27339 1 420 . 1 1 115 115 MET H H 1 8.2641 . . . . . . . . 563 M HN . 27339 1 421 . 1 1 115 115 MET C C 13 176.7282 . . . . . . . . 563 M CO . 27339 1 422 . 1 1 115 115 MET CA C 13 56.2572 . . . . . . . . 563 M CA . 27339 1 423 . 1 1 115 115 MET CB C 13 32.6461 . . . . . . . . 563 M CB . 27339 1 424 . 1 1 115 115 MET N N 15 122.2028 . . . . . . . . 563 M N . 27339 1 425 . 1 1 116 116 VAL H H 1 8.1702 . . . . . . . . 564 V HN . 27339 1 426 . 1 1 116 116 VAL C C 13 176.8298 . . . . . . . . 564 V CO . 27339 1 427 . 1 1 116 116 VAL CA C 13 63.4128 . . . . . . . . 564 V CA . 27339 1 428 . 1 1 116 116 VAL CB C 13 32.4690 . . . . . . . . 564 V CB . 27339 1 429 . 1 1 116 116 VAL N N 15 122.3335 . . . . . . . . 564 V N . 27339 1 430 . 1 1 117 117 GLN H H 1 8.3521 . . . . . . . . 565 Q HN . 27339 1 431 . 1 1 117 117 GLN C C 13 176.2007 . . . . . . . . 565 Q CO . 27339 1 432 . 1 1 117 117 GLN CA C 13 56.4112 . . . . . . . . 565 Q CA . 27339 1 433 . 1 1 117 117 GLN CB C 13 29.2412 . . . . . . . . 565 Q CB . 27339 1 434 . 1 1 117 117 GLN N N 15 124.1162 . . . . . . . . 565 Q N . 27339 1 435 . 1 1 118 118 ALA H H 1 8.2702 . . . . . . . . 566 A HN . 27339 1 436 . 1 1 118 118 ALA C C 13 178.1553 . . . . . . . . 566 A CO . 27339 1 437 . 1 1 118 118 ALA CA C 13 52.9619 . . . . . . . . 566 A CA . 27339 1 438 . 1 1 118 118 ALA CB C 13 18.9702 . . . . . . . . 566 A CB . 27339 1 439 . 1 1 118 118 ALA N N 15 125.6441 . . . . . . . . 566 A N . 27339 1 440 . 1 1 119 119 LEU H H 1 8.1321 . . . . . . . . 567 L HN . 27339 1 441 . 1 1 119 119 LEU C C 13 177.4950 . . . . . . . . 567 L CO . 27339 1 442 . 1 1 119 119 LEU CA C 13 55.3525 . . . . . . . . 567 L CA . 27339 1 443 . 1 1 119 119 LEU CB C 13 42.2692 . . . . . . . . 567 L CB . 27339 1 444 . 1 1 119 119 LEU N N 15 121.6914 . . . . . . . . 567 L N . 27339 1 445 . 1 1 120 120 ALA H H 1 8.1669 . . . . . . . . 568 A HN . 27339 1 446 . 1 1 120 120 ALA C C 13 178.4472 . . . . . . . . 568 A CO . 27339 1 447 . 1 1 120 120 ALA CA C 13 52.9755 . . . . . . . . 568 A CA . 27339 1 448 . 1 1 120 120 ALA CB C 13 19.0176 . . . . . . . . 568 A CB . 27339 1 449 . 1 1 120 120 ALA N N 15 124.9412 . . . . . . . . 568 A N . 27339 1 450 . 1 1 121 121 GLY H H 1 8.2988 . . . . . . . . 569 G HN . 27339 1 451 . 1 1 121 121 GLY C C 13 174.2289 . . . . . . . . 569 G CO . 27339 1 452 . 1 1 121 121 GLY CA C 13 45.2995 . . . . . . . . 569 G CA . 27339 1 453 . 1 1 121 121 GLY N N 15 108.6428 . . . . . . . . 569 G N . 27339 1 454 . 1 1 122 122 ALA H H 1 8.0941 . . . . . . . . 570 A HN . 27339 1 455 . 1 1 122 122 ALA C C 13 177.6323 . . . . . . . . 570 A CO . 27339 1 456 . 1 1 122 122 ALA CA C 13 52.8693 . . . . . . . . 570 A CA . 27339 1 457 . 1 1 122 122 ALA CB C 13 19.2012 . . . . . . . . 570 A CB . 27339 1 458 . 1 1 122 122 ALA N N 15 124.0997 . . . . . . . . 570 A N . 27339 1 459 . 1 1 123 123 ASN H H 1 8.3677 . . . . . . . . 571 N HN . 27339 1 460 . 1 1 123 123 ASN C C 13 174.4809 . . . . . . . . 571 N CO . 27339 1 461 . 1 1 123 123 ASN CA C 13 52.9820 . . . . . . . . 571 N CA . 27339 1 462 . 1 1 123 123 ASN CB C 13 38.8802 . . . . . . . . 571 N CB . 27339 1 463 . 1 1 123 123 ASN N N 15 117.6618 . . . . . . . . 571 N N . 27339 1 464 . 1 1 124 124 ALA H H 1 8.0454 . . . . . . . . 572 A HN . 27339 1 465 . 1 1 124 124 ALA C C 13 175.3311 . . . . . . . . 572 A CO . 27339 1 466 . 1 1 124 124 ALA CA C 13 50.7410 . . . . . . . . 572 A CA . 27339 1 467 . 1 1 124 124 ALA CB C 13 18.0264 . . . . . . . . 572 A CB . 27339 1 468 . 1 1 124 124 ALA N N 15 125.8777 . . . . . . . . 572 A N . 27339 1 469 . 1 1 125 125 PRO C C 13 176.7358 . . . . . . . . 573 P CO . 27339 1 470 . 1 1 125 125 PRO CA C 13 63.0766 . . . . . . . . 573 P CA . 27339 1 471 . 1 1 125 125 PRO CB C 13 32.0428 . . . . . . . . 573 P CB . 27339 1 472 . 1 1 125 125 PRO N N 15 136.1159 . . . . . . . . 573 P N . 27339 1 473 . 1 1 126 126 GLN H H 1 8.4885 . . . . . . . . 574 Q HN . 27339 1 474 . 1 1 126 126 GLN C C 13 175.8207 . . . . . . . . 574 Q CO . 27339 1 475 . 1 1 126 126 GLN CA C 13 55.3311 . . . . . . . . 574 Q CA . 27339 1 476 . 1 1 126 126 GLN CB C 13 29.5682 . . . . . . . . 574 Q CB . 27339 1 477 . 1 1 126 126 GLN N N 15 121.4631 . . . . . . . . 574 Q N . 27339 1 478 . 1 1 127 127 LEU H H 1 8.3947 . . . . . . . . 575 L HN . 27339 1 479 . 1 1 127 127 LEU C C 13 175.1272 . . . . . . . . 575 L CO . 27339 1 480 . 1 1 127 127 LEU CA C 13 52.9840 . . . . . . . . 575 L CA . 27339 1 481 . 1 1 127 127 LEU CB C 13 41.7966 . . . . . . . . 575 L CB . 27339 1 482 . 1 1 127 127 LEU N N 15 126.0824 . . . . . . . . 575 L N . 27339 1 483 . 1 1 128 128 PRO C C 13 175.8826 . . . . . . . . 576 P CO . 27339 1 484 . 1 1 128 128 PRO CA C 13 62.7138 . . . . . . . . 576 P CA . 27339 1 485 . 1 1 128 128 PRO CB C 13 32.1366 . . . . . . . . 576 P CB . 27339 1 486 . 1 1 128 128 PRO N N 15 135.8145 . . . . . . . . 576 P N . 27339 1 487 . 1 1 129 129 ASN H H 1 8.6060 . . . . . . . . 577 N HN . 27339 1 488 . 1 1 129 129 ASN C C 13 174.3729 . . . . . . . . 577 N CO . 27339 1 489 . 1 1 129 129 ASN CA C 13 51.8073 . . . . . . . . 577 N CA . 27339 1 490 . 1 1 129 129 ASN CB C 13 37.9835 . . . . . . . . 577 N CB . 27339 1 491 . 1 1 129 129 ASN N N 15 120.4152 . . . . . . . . 577 N N . 27339 1 492 . 1 1 130 130 PRO C C 13 176.4291 . . . . . . . . 578 P CO . 27339 1 493 . 1 1 131 131 GLU H H 1 8.8164 . . . . . . . . 579 E HN . 27339 1 494 . 1 1 131 131 GLU C C 13 177.1666 . . . . . . . . 579 E CO . 27339 1 495 . 1 1 131 131 GLU N N 15 117.3505 . . . . . . . . 579 E N . 27339 1 496 . 1 1 132 132 VAL H H 1 7.3024 . . . . . . . . 580 V HN . 27339 1 497 . 1 1 132 132 VAL C C 13 178.6564 . . . . . . . . 580 V CO . 27339 1 498 . 1 1 132 132 VAL N N 15 119.0810 . . . . . . . . 580 V N . 27339 1 499 . 1 1 133 133 ARG H H 1 7.9557 . . . . . . . . 581 R HN . 27339 1 500 . 1 1 133 133 ARG C C 13 177.9563 . . . . . . . . 581 R CO . 27339 1 501 . 1 1 133 133 ARG N N 15 121.9374 . . . . . . . . 581 R N . 27339 1 502 . 1 1 134 134 PHE H H 1 8.0196 . . . . . . . . 582 F HN . 27339 1 503 . 1 1 134 134 PHE C C 13 175.3601 . . . . . . . . 582 F CO . 27339 1 504 . 1 1 134 134 PHE N N 15 114.9271 . . . . . . . . 582 F N . 27339 1 505 . 1 1 135 135 GLN H H 1 7.2148 . . . . . . . . 583 Q HN . 27339 1 506 . 1 1 135 135 GLN C C 13 178.3004 . . . . . . . . 583 Q CO . 27339 1 507 . 1 1 135 135 GLN CA C 13 60.6406 . . . . . . . . 583 Q CA . 27339 1 508 . 1 1 135 135 GLN CB C 13 28.7896 . . . . . . . . 583 Q CB . 27339 1 509 . 1 1 135 135 GLN N N 15 120.9032 . . . . . . . . 583 Q N . 27339 1 510 . 1 1 136 136 GLN H H 1 9.0059 . . . . . . . . 584 Q HN . 27339 1 511 . 1 1 136 136 GLN C C 13 178.8497 . . . . . . . . 584 Q CO . 27339 1 512 . 1 1 136 136 GLN CA C 13 59.5041 . . . . . . . . 584 Q CA . 27339 1 513 . 1 1 136 136 GLN CB C 13 28.1946 . . . . . . . . 584 Q CB . 27339 1 514 . 1 1 136 136 GLN N N 15 119.0703 . . . . . . . . 584 Q N . 27339 1 515 . 1 1 137 137 GLN H H 1 9.2135 . . . . . . . . 585 Q HN . 27339 1 516 . 1 1 137 137 GLN C C 13 178.5567 . . . . . . . . 585 Q CO . 27339 1 517 . 1 1 137 137 GLN CA C 13 60.7028 . . . . . . . . 585 Q CA . 27339 1 518 . 1 1 137 137 GLN CB C 13 29.1530 . . . . . . . . 585 Q CB . 27339 1 519 . 1 1 137 137 GLN N N 15 121.7935 . . . . . . . . 585 Q N . 27339 1 520 . 1 1 138 138 LEU H H 1 8.6970 . . . . . . . . 586 L HN . 27339 1 521 . 1 1 138 138 LEU C C 13 180.4878 . . . . . . . . 586 L CO . 27339 1 522 . 1 1 138 138 LEU CA C 13 58.4558 . . . . . . . . 586 L CA . 27339 1 523 . 1 1 138 138 LEU CB C 13 41.3452 . . . . . . . . 586 L CB . 27339 1 524 . 1 1 138 138 LEU N N 15 120.1691 . . . . . . . . 586 L N . 27339 1 525 . 1 1 139 139 GLU H H 1 7.8628 . . . . . . . . 587 E HN . 27339 1 526 . 1 1 139 139 GLU C C 13 179.5432 . . . . . . . . 587 E CO . 27339 1 527 . 1 1 139 139 GLU CA C 13 59.3041 . . . . . . . . 587 E CA . 27339 1 528 . 1 1 139 139 GLU CB C 13 29.1750 . . . . . . . . 587 E CB . 27339 1 529 . 1 1 139 139 GLU N N 15 121.8409 . . . . . . . . 587 E N . 27339 1 530 . 1 1 140 140 GLN H H 1 8.2077 . . . . . . . . 588 Q HN . 27339 1 531 . 1 1 140 140 GLN C C 13 179.0187 . . . . . . . . 588 Q CO . 27339 1 532 . 1 1 140 140 GLN CA C 13 59.2233 . . . . . . . . 588 Q CA . 27339 1 533 . 1 1 140 140 GLN CB C 13 28.3465 . . . . . . . . 588 Q CB . 27339 1 534 . 1 1 140 140 GLN N N 15 122.2311 . . . . . . . . 588 Q N . 27339 1 535 . 1 1 141 141 LEU H H 1 8.5979 . . . . . . . . 589 L HN . 27339 1 536 . 1 1 141 141 LEU C C 13 179.3971 . . . . . . . . 589 L CO . 27339 1 537 . 1 1 141 141 LEU CA C 13 58.4066 . . . . . . . . 589 L CA . 27339 1 538 . 1 1 141 141 LEU CB C 13 41.4385 . . . . . . . . 589 L CB . 27339 1 539 . 1 1 141 141 LEU N N 15 119.4974 . . . . . . . . 589 L N . 27339 1 540 . 1 1 142 142 ASN H H 1 7.8073 . . . . . . . . 590 N HN . 27339 1 541 . 1 1 142 142 ASN C C 13 178.9543 . . . . . . . . 590 N CO . 27339 1 542 . 1 1 142 142 ASN CA C 13 57.5820 . . . . . . . . 590 N CA . 27339 1 543 . 1 1 142 142 ASN CB C 13 39.5819 . . . . . . . . 590 N CB . 27339 1 544 . 1 1 142 142 ASN N N 15 118.8257 . . . . . . . . 590 N N . 27339 1 545 . 1 1 143 143 ALA H H 1 8.0402 . . . . . . . . 591 A HN . 27339 1 546 . 1 1 143 143 ALA C C 13 179.1689 . . . . . . . . 591 A CO . 27339 1 547 . 1 1 143 143 ALA CA C 13 54.8368 . . . . . . . . 591 A CA . 27339 1 548 . 1 1 143 143 ALA CB C 13 17.9252 . . . . . . . . 591 A CB . 27339 1 549 . 1 1 143 143 ALA N N 15 123.4337 . . . . . . . . 591 A N . 27339 1 550 . 1 1 144 144 MET H H 1 7.6471 . . . . . . . . 592 M HN . 27339 1 551 . 1 1 144 144 MET C C 13 175.6059 . . . . . . . . 592 M CO . 27339 1 552 . 1 1 144 144 MET CA C 13 56.4829 . . . . . . . . 592 M CA . 27339 1 553 . 1 1 144 144 MET CB C 13 34.4898 . . . . . . . . 592 M CB . 27339 1 554 . 1 1 144 144 MET N N 15 116.1581 . . . . . . . . 592 M N . 27339 1 555 . 1 1 145 145 GLY H H 1 7.7419 . . . . . . . . 593 G HN . 27339 1 556 . 1 1 145 145 GLY C C 13 173.4183 . . . . . . . . 593 G CO . 27339 1 557 . 1 1 145 145 GLY CA C 13 45.0042 . . . . . . . . 593 G CA . 27339 1 558 . 1 1 145 145 GLY N N 15 106.2287 . . . . . . . . 593 G N . 27339 1 559 . 1 1 146 146 PHE H H 1 7.8529 . . . . . . . . 594 F HN . 27339 1 560 . 1 1 146 146 PHE C C 13 176.3856 . . . . . . . . 594 F CO . 27339 1 561 . 1 1 146 146 PHE CA C 13 58.2259 . . . . . . . . 594 F CA . 27339 1 562 . 1 1 146 146 PHE CB C 13 36.5699 . . . . . . . . 594 F CB . 27339 1 563 . 1 1 146 146 PHE N N 15 122.5601 . . . . . . . . 594 F N . 27339 1 564 . 1 1 147 147 LEU H H 1 8.2127 . . . . . . . . 595 L HN . 27339 1 565 . 1 1 147 147 LEU C C 13 177.1698 . . . . . . . . 595 L CO . 27339 1 566 . 1 1 147 147 LEU CA C 13 55.8530 . . . . . . . . 595 L CA . 27339 1 567 . 1 1 147 147 LEU CB C 13 41.9338 . . . . . . . . 595 L CB . 27339 1 568 . 1 1 147 147 LEU N N 15 123.2715 . . . . . . . . 595 L N . 27339 1 569 . 1 1 148 148 ASN H H 1 9.1369 . . . . . . . . 596 N HN . 27339 1 570 . 1 1 148 148 ASN C C 13 173.5230 . . . . . . . . 596 N CO . 27339 1 571 . 1 1 148 148 ASN CA C 13 52.0912 . . . . . . . . 596 N CA . 27339 1 572 . 1 1 148 148 ASN CB C 13 37.8338 . . . . . . . . 596 N CB . 27339 1 573 . 1 1 148 148 ASN N N 15 122.1078 . . . . . . . . 596 N N . 27339 1 574 . 1 1 149 149 ARG H H 1 8.3120 . . . . . . . . 597 R HN . 27339 1 575 . 1 1 149 149 ARG C C 13 177.4991 . . . . . . . . 597 R CO . 27339 1 576 . 1 1 149 149 ARG CA C 13 60.3444 . . . . . . . . 597 R CA . 27339 1 577 . 1 1 149 149 ARG CB C 13 30.5061 . . . . . . . . 597 R CB . 27339 1 578 . 1 1 149 149 ARG N N 15 127.2669 . . . . . . . . 597 R N . 27339 1 579 . 1 1 150 150 GLU H H 1 8.1903 . . . . . . . . 598 E HN . 27339 1 580 . 1 1 150 150 GLU C C 13 179.0436 . . . . . . . . 598 E CO . 27339 1 581 . 1 1 150 150 GLU CA C 13 59.9564 . . . . . . . . 598 E CA . 27339 1 582 . 1 1 150 150 GLU CB C 13 28.9612 . . . . . . . . 598 E CB . 27339 1 583 . 1 1 150 150 GLU N N 15 118.3731 . . . . . . . . 598 E N . 27339 1 584 . 1 1 151 151 ALA H H 1 7.5711 . . . . . . . . 599 A HN . 27339 1 585 . 1 1 151 151 ALA C C 13 180.9667 . . . . . . . . 599 A CO . 27339 1 586 . 1 1 151 151 ALA CA C 13 54.5302 . . . . . . . . 599 A CA . 27339 1 587 . 1 1 151 151 ALA CB C 13 17.3340 . . . . . . . . 599 A CB . 27339 1 588 . 1 1 151 151 ALA N N 15 123.7328 . . . . . . . . 599 A N . 27339 1 589 . 1 1 152 152 ASN H H 1 8.5449 . . . . . . . . 600 N HN . 27339 1 590 . 1 1 152 152 ASN C C 13 177.1809 . . . . . . . . 600 N CO . 27339 1 591 . 1 1 152 152 ASN CA C 13 55.7255 . . . . . . . . 600 N CA . 27339 1 592 . 1 1 152 152 ASN CB C 13 38.0156 . . . . . . . . 600 N CB . 27339 1 593 . 1 1 152 152 ASN N N 15 121.3652 . . . . . . . . 600 N N . 27339 1 594 . 1 1 153 153 LEU H H 1 8.3756 . . . . . . . . 601 L HN . 27339 1 595 . 1 1 153 153 LEU C C 13 178.1703 . . . . . . . . 601 L CO . 27339 1 596 . 1 1 153 153 LEU CA C 13 58.2917 . . . . . . . . 601 L CA . 27339 1 597 . 1 1 153 153 LEU CB C 13 41.5719 . . . . . . . . 601 L CB . 27339 1 598 . 1 1 153 153 LEU N N 15 121.1304 . . . . . . . . 601 L N . 27339 1 599 . 1 1 154 154 GLN H H 1 7.8893 . . . . . . . . 602 Q HN . 27339 1 600 . 1 1 154 154 GLN C C 13 179.2505 . . . . . . . . 602 Q CO . 27339 1 601 . 1 1 154 154 GLN CA C 13 58.9301 . . . . . . . . 602 Q CA . 27339 1 602 . 1 1 154 154 GLN CB C 13 27.9264 . . . . . . . . 602 Q CB . 27339 1 603 . 1 1 154 154 GLN N N 15 116.7736 . . . . . . . . 602 Q N . 27339 1 604 . 1 1 155 155 ALA H H 1 8.0305 . . . . . . . . 603 A HN . 27339 1 605 . 1 1 155 155 ALA C C 13 178.7865 . . . . . . . . 603 A CO . 27339 1 606 . 1 1 155 155 ALA CA C 13 55.4492 . . . . . . . . 603 A CA . 27339 1 607 . 1 1 155 155 ALA CB C 13 17.8054 . . . . . . . . 603 A CB . 27339 1 608 . 1 1 155 155 ALA N N 15 122.6973 . . . . . . . . 603 A N . 27339 1 609 . 1 1 156 156 LEU H H 1 7.9648 . . . . . . . . 604 L HN . 27339 1 610 . 1 1 156 156 LEU C C 13 179.1024 . . . . . . . . 604 L CO . 27339 1 611 . 1 1 156 156 LEU CA C 13 57.0878 . . . . . . . . 604 L CA . 27339 1 612 . 1 1 156 156 LEU CB C 13 41.8012 . . . . . . . . 604 L CB . 27339 1 613 . 1 1 156 156 LEU N N 15 118.4926 . . . . . . . . 604 L N . 27339 1 614 . 1 1 157 157 ILE H H 1 8.5882 . . . . . . . . 605 I HN . 27339 1 615 . 1 1 157 157 ILE C C 13 180.1479 . . . . . . . . 605 I CO . 27339 1 616 . 1 1 157 157 ILE CA C 13 65.8908 . . . . . . . . 605 I CA . 27339 1 617 . 1 1 157 157 ILE CB C 13 38.7018 . . . . . . . . 605 I CB . 27339 1 618 . 1 1 157 157 ILE N N 15 120.8076 . . . . . . . . 605 I N . 27339 1 619 . 1 1 158 158 ALA H H 1 7.6983 . . . . . . . . 606 A HN . 27339 1 620 . 1 1 158 158 ALA C C 13 179.2115 . . . . . . . . 606 A CO . 27339 1 621 . 1 1 158 158 ALA CA C 13 54.7455 . . . . . . . . 606 A CA . 27339 1 622 . 1 1 158 158 ALA CB C 13 18.1050 . . . . . . . . 606 A CB . 27339 1 623 . 1 1 158 158 ALA N N 15 121.6842 . . . . . . . . 606 A N . 27339 1 624 . 1 1 159 159 THR H H 1 7.5984 . . . . . . . . 607 T HN . 27339 1 625 . 1 1 159 159 THR C C 13 176.2688 . . . . . . . . 607 T CO . 27339 1 626 . 1 1 159 159 THR CA C 13 60.5078 . . . . . . . . 607 T CA . 27339 1 627 . 1 1 159 159 THR CB C 13 69.3807 . . . . . . . . 607 T CB . 27339 1 628 . 1 1 159 159 THR N N 15 105.9275 . . . . . . . . 607 T N . 27339 1 629 . 1 1 160 160 GLY H H 1 7.6404 . . . . . . . . 608 G HN . 27339 1 630 . 1 1 160 160 GLY C C 13 175.6632 . . . . . . . . 608 G CO . 27339 1 631 . 1 1 160 160 GLY CA C 13 46.9759 . . . . . . . . 608 G CA . 27339 1 632 . 1 1 160 160 GLY N N 15 113.0863 . . . . . . . . 608 G N . 27339 1 633 . 1 1 161 161 GLY H H 1 8.8020 . . . . . . . . 609 G HN . 27339 1 634 . 1 1 161 161 GLY C C 13 172.1183 . . . . . . . . 609 G CO . 27339 1 635 . 1 1 161 161 GLY CA C 13 45.3854 . . . . . . . . 609 G CA . 27339 1 636 . 1 1 161 161 GLY N N 15 106.4648 . . . . . . . . 609 G N . 27339 1 637 . 1 1 162 162 ASP H H 1 6.8154 . . . . . . . . 610 D HN . 27339 1 638 . 1 1 162 162 ASP C C 13 176.8724 . . . . . . . . 610 D CO . 27339 1 639 . 1 1 162 162 ASP CA C 13 53.5541 . . . . . . . . 610 D CA . 27339 1 640 . 1 1 162 162 ASP CB C 13 41.5629 . . . . . . . . 610 D CB . 27339 1 641 . 1 1 162 162 ASP N N 15 120.7251 . . . . . . . . 610 D N . 27339 1 642 . 1 1 163 163 ILE H H 1 8.8282 . . . . . . . . 611 I HN . 27339 1 643 . 1 1 163 163 ILE C C 13 175.5259 . . . . . . . . 611 I CO . 27339 1 644 . 1 1 163 163 ILE CA C 13 64.7680 . . . . . . . . 611 I CA . 27339 1 645 . 1 1 163 163 ILE CB C 13 38.5084 . . . . . . . . 611 I CB . 27339 1 646 . 1 1 163 163 ILE N N 15 130.5873 . . . . . . . . 611 I N . 27339 1 647 . 1 1 164 164 ASN H H 1 7.8866 . . . . . . . . 612 N HN . 27339 1 648 . 1 1 164 164 ASN C C 13 178.2697 . . . . . . . . 612 N CO . 27339 1 649 . 1 1 164 164 ASN CA C 13 56.7949 . . . . . . . . 612 N CA . 27339 1 650 . 1 1 164 164 ASN CB C 13 37.6993 . . . . . . . . 612 N CB . 27339 1 651 . 1 1 164 164 ASN N N 15 120.9525 . . . . . . . . 612 N N . 27339 1 652 . 1 1 165 165 ALA H H 1 8.0450 . . . . . . . . 613 A HN . 27339 1 653 . 1 1 165 165 ALA C C 13 180.6385 . . . . . . . . 613 A CO . 27339 1 654 . 1 1 165 165 ALA CA C 13 54.2771 . . . . . . . . 613 A CA . 27339 1 655 . 1 1 165 165 ALA CB C 13 18.2313 . . . . . . . . 613 A CB . 27339 1 656 . 1 1 165 165 ALA N N 15 124.0175 . . . . . . . . 613 A N . 27339 1 657 . 1 1 166 166 ALA H H 1 8.2785 . . . . . . . . 614 A HN . 27339 1 658 . 1 1 166 166 ALA C C 13 178.5565 . . . . . . . . 614 A CO . 27339 1 659 . 1 1 166 166 ALA CA C 13 55.6427 . . . . . . . . 614 A CA . 27339 1 660 . 1 1 166 166 ALA CB C 13 16.9361 . . . . . . . . 614 A CB . 27339 1 661 . 1 1 166 166 ALA N N 15 123.9076 . . . . . . . . 614 A N . 27339 1 662 . 1 1 167 167 ILE H H 1 8.2024 . . . . . . . . 615 I HN . 27339 1 663 . 1 1 167 167 ILE C C 13 177.1329 . . . . . . . . 615 I CO . 27339 1 664 . 1 1 167 167 ILE CA C 13 66.3413 . . . . . . . . 615 I CA . 27339 1 665 . 1 1 167 167 ILE CB C 13 38.3674 . . . . . . . . 615 I CB . 27339 1 666 . 1 1 167 167 ILE N N 15 119.8531 . . . . . . . . 615 I N . 27339 1 667 . 1 1 168 168 GLU H H 1 7.1848 . . . . . . . . 616 E HN . 27339 1 668 . 1 1 168 168 GLU C C 13 179.7791 . . . . . . . . 616 E CO . 27339 1 669 . 1 1 168 168 GLU CA C 13 59.7829 . . . . . . . . 616 E CA . 27339 1 670 . 1 1 168 168 GLU CB C 13 29.4002 . . . . . . . . 616 E CB . 27339 1 671 . 1 1 168 168 GLU N N 15 117.3717 . . . . . . . . 616 E N . 27339 1 672 . 1 1 169 169 ARG H H 1 7.4198 . . . . . . . . 617 R HN . 27339 1 673 . 1 1 169 169 ARG C C 13 179.4752 . . . . . . . . 617 R CO . 27339 1 674 . 1 1 169 169 ARG CA C 13 58.6462 . . . . . . . . 617 R CA . 27339 1 675 . 1 1 169 169 ARG CB C 13 30.0046 . . . . . . . . 617 R CB . 27339 1 676 . 1 1 169 169 ARG N N 15 118.5604 . . . . . . . . 617 R N . 27339 1 677 . 1 1 170 170 LEU H H 1 8.3158 . . . . . . . . 618 L HN . 27339 1 678 . 1 1 170 170 LEU C C 13 180.0536 . . . . . . . . 618 L CO . 27339 1 679 . 1 1 170 170 LEU CA C 13 57.5713 . . . . . . . . 618 L CA . 27339 1 680 . 1 1 170 170 LEU CB C 13 42.5298 . . . . . . . . 618 L CB . 27339 1 681 . 1 1 170 170 LEU N N 15 122.9714 . . . . . . . . 618 L N . 27339 1 682 . 1 1 171 171 LEU H H 1 8.3293 . . . . . . . . 619 L HN . 27339 1 683 . 1 1 171 171 LEU C C 13 178.9037 . . . . . . . . 619 L CO . 27339 1 684 . 1 1 171 171 LEU CA C 13 56.4134 . . . . . . . . 619 L CA . 27339 1 685 . 1 1 171 171 LEU CB C 13 42.4155 . . . . . . . . 619 L CB . 27339 1 686 . 1 1 171 171 LEU N N 15 119.4652 . . . . . . . . 619 L N . 27339 1 687 . 1 1 172 172 GLY H H 1 7.7033 . . . . . . . . 620 G HN . 27339 1 688 . 1 1 172 172 GLY C C 13 174.2943 . . . . . . . . 620 G CO . 27339 1 689 . 1 1 172 172 GLY CA C 13 45.6976 . . . . . . . . 620 G CA . 27339 1 690 . 1 1 172 172 GLY N N 15 107.3254 . . . . . . . . 620 G N . 27339 1 691 . 1 1 173 173 SER H H 1 7.8970 . . . . . . . . 621 S HN . 27339 1 692 . 1 1 173 173 SER C C 13 174.0930 . . . . . . . . 621 S CO . 27339 1 693 . 1 1 173 173 SER CA C 13 58.4177 . . . . . . . . 621 S CA . 27339 1 694 . 1 1 173 173 SER CB C 13 63.9482 . . . . . . . . 621 S CB . 27339 1 695 . 1 1 173 173 SER N N 15 115.3012 . . . . . . . . 621 S N . 27339 1 696 . 1 1 174 174 GLN H H 1 8.1647 . . . . . . . . 622 Q HN . 27339 1 697 . 1 1 174 174 GLN C C 13 173.7927 . . . . . . . . 622 Q CO . 27339 1 698 . 1 1 174 174 GLN CA C 13 53.7430 . . . . . . . . 622 Q CA . 27339 1 699 . 1 1 174 174 GLN CB C 13 28.9093 . . . . . . . . 622 Q CB . 27339 1 700 . 1 1 174 174 GLN N N 15 123.2295 . . . . . . . . 622 Q N . 27339 1 701 . 1 1 175 175 PRO C C 13 176.5594 . . . . . . . . 623 P CO . 27339 1 702 . 1 1 175 175 PRO CA C 13 63.1967 . . . . . . . . 623 P CA . 27339 1 703 . 1 1 175 175 PRO CB C 13 31.9680 . . . . . . . . 623 P CB . 27339 1 704 . 1 1 175 175 PRO N N 15 137.4377 . . . . . . . . 623 P N . 27339 1 705 . 1 1 176 176 SER H H 1 8.0959 . . . . . . . . 624 S HN . 27339 1 706 . 1 1 176 176 SER C C 13 173.0722 . . . . . . . . 624 S CO . 27339 1 707 . 1 1 176 176 SER CA C 13 58.0708 . . . . . . . . 624 S CA . 27339 1 708 . 1 1 176 176 SER CB C 13 63.9627 . . . . . . . . 624 S CB . 27339 1 709 . 1 1 176 176 SER N N 15 116.6104 . . . . . . . . 624 S N . 27339 1 710 . 1 1 177 177 TRP H H 1 7.5834 . . . . . . . . 625 W HN . 27339 1 711 . 1 1 177 177 TRP C C 13 180.7534 . . . . . . . . 625 W CO . 27339 1 712 . 1 1 177 177 TRP CA C 13 58.3912 . . . . . . . . 625 W CA . 27339 1 713 . 1 1 177 177 TRP CB C 13 30.0176 . . . . . . . . 625 W CB . 27339 1 714 . 1 1 177 177 TRP N N 15 128.0657 . . . . . . . . 625 W N . 27339 1 stop_ save_