data_52040 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52040 _Entry.Title ; AtMed25ACID ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-15 _Entry.Accession_date 2023-07-15 _Entry.Last_release_date 2023-07-17 _Entry.Original_release_date 2023-07-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 'Chemical shifts of Arabidopsis thaliana 532-680' _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 Frederik Theisen . F. . 0000-0002-3412-4242 52040 2 Andreas Prestel . . . 0000-0002-5459-9608 52040 3 Yannick Leurs . H.A. . 0000-0002-5507-7174 52040 4 Birthe Kragelund . B. . 0000-0002-7454-1761 52040 5 Karen Skriver . . . 0000-0003-2225-4012 52040 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Copenhagen' . 52040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 52040 '15N chemical shifts' 135 52040 '1H chemical shifts' 135 52040 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 . . 2024-02-06 2023-07-15 update BMRB 'update entry citation' 52040 1 . . 2023-07-21 2023-07-15 original author 'original release' 52040 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52041 'AtMed25ACID + DREB2A' 52040 BMRB 52042 'AtMed25ACID + DREB2A ABS' 52040 BMRB 52043 'AtMed25ACID + DREB2A RIM' 52040 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52040 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38238333 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular switching in transcription through splicing and proline-isomerization regulates stress responses in plants ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Comm.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 592 _Citation.Page_last 592 _Citation.Year 2024 _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 Frederik Theisen . F. . . 52040 1 2 Andreas Prestel . . . . 52040 1 3 Steffie Elkjaer . M.H. . . 52040 1 4 Yannick Leurs . H.A. . . 52040 1 5 Nicholas Morffy . . . . 52040 1 6 Lucia Strader . C. . . 52040 1 7 Charlotte O'shea . . . . 52040 1 8 Kaare Teilum . . . . 52040 1 9 Birthe Kragelund . B. . . 52040 1 10 Karen Skriver . . . . 52040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52040 _Assembly.ID 1 _Assembly.Name Med25ACID _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 Med25 1 $entity_1 . . yes native yes no . . . 52040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52040 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSNSSAPNMQLSQPSSGAMQ TSQSKYVKVWEGNLSGQRQG QPVLITRLEGYRSASASDSL AANWPPTMQIVRLISQDHMN NKQYVGKADFLVFRAMSQHG FLGQLQDKKLCAVIQLPSQT LLLSVSDKACRLIGMLFPGD MVVFKPQIPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Med25ACID 532-680' _Entity.Ambiguous_conformational_states yes _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_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 1 531 GLY . 52040 1 2 532 SER . 52040 1 3 533 ASN . 52040 1 4 534 SER . 52040 1 5 535 SER . 52040 1 6 536 ALA . 52040 1 7 537 PRO . 52040 1 8 538 ASN . 52040 1 9 539 MET . 52040 1 10 540 GLN . 52040 1 11 541 LEU . 52040 1 12 542 SER . 52040 1 13 543 GLN . 52040 1 14 544 PRO . 52040 1 15 545 SER . 52040 1 16 546 SER . 52040 1 17 547 GLY . 52040 1 18 548 ALA . 52040 1 19 549 MET . 52040 1 20 550 GLN . 52040 1 21 551 THR . 52040 1 22 552 SER . 52040 1 23 553 GLN . 52040 1 24 554 SER . 52040 1 25 555 LYS . 52040 1 26 556 TYR . 52040 1 27 557 VAL . 52040 1 28 558 LYS . 52040 1 29 559 VAL . 52040 1 30 560 TRP . 52040 1 31 561 GLU . 52040 1 32 562 GLY . 52040 1 33 563 ASN . 52040 1 34 564 LEU . 52040 1 35 565 SER . 52040 1 36 566 GLY . 52040 1 37 567 GLN . 52040 1 38 568 ARG . 52040 1 39 569 GLN . 52040 1 40 570 GLY . 52040 1 41 571 GLN . 52040 1 42 572 PRO . 52040 1 43 573 VAL . 52040 1 44 574 LEU . 52040 1 45 575 ILE . 52040 1 46 576 THR . 52040 1 47 577 ARG . 52040 1 48 578 LEU . 52040 1 49 579 GLU . 52040 1 50 580 GLY . 52040 1 51 581 TYR . 52040 1 52 582 ARG . 52040 1 53 583 SER . 52040 1 54 584 ALA . 52040 1 55 585 SER . 52040 1 56 586 ALA . 52040 1 57 587 SER . 52040 1 58 588 ASP . 52040 1 59 589 SER . 52040 1 60 590 LEU . 52040 1 61 591 ALA . 52040 1 62 592 ALA . 52040 1 63 593 ASN . 52040 1 64 594 TRP . 52040 1 65 595 PRO . 52040 1 66 596 PRO . 52040 1 67 597 THR . 52040 1 68 598 MET . 52040 1 69 599 GLN . 52040 1 70 600 ILE . 52040 1 71 601 VAL . 52040 1 72 602 ARG . 52040 1 73 603 LEU . 52040 1 74 604 ILE . 52040 1 75 605 SER . 52040 1 76 606 GLN . 52040 1 77 607 ASP . 52040 1 78 608 HIS . 52040 1 79 609 MET . 52040 1 80 610 ASN . 52040 1 81 611 ASN . 52040 1 82 612 LYS . 52040 1 83 613 GLN . 52040 1 84 614 TYR . 52040 1 85 615 VAL . 52040 1 86 616 GLY . 52040 1 87 617 LYS . 52040 1 88 618 ALA . 52040 1 89 619 ASP . 52040 1 90 620 PHE . 52040 1 91 621 LEU . 52040 1 92 622 VAL . 52040 1 93 623 PHE . 52040 1 94 624 ARG . 52040 1 95 625 ALA . 52040 1 96 626 MET . 52040 1 97 627 SER . 52040 1 98 628 GLN . 52040 1 99 629 HIS . 52040 1 100 630 GLY . 52040 1 101 631 PHE . 52040 1 102 632 LEU . 52040 1 103 633 GLY . 52040 1 104 634 GLN . 52040 1 105 635 LEU . 52040 1 106 636 GLN . 52040 1 107 637 ASP . 52040 1 108 638 LYS . 52040 1 109 639 LYS . 52040 1 110 640 LEU . 52040 1 111 641 CYS . 52040 1 112 642 ALA . 52040 1 113 643 VAL . 52040 1 114 644 ILE . 52040 1 115 645 GLN . 52040 1 116 646 LEU . 52040 1 117 647 PRO . 52040 1 118 648 SER . 52040 1 119 649 GLN . 52040 1 120 650 THR . 52040 1 121 651 LEU . 52040 1 122 652 LEU . 52040 1 123 653 LEU . 52040 1 124 654 SER . 52040 1 125 655 VAL . 52040 1 126 656 SER . 52040 1 127 657 ASP . 52040 1 128 658 LYS . 52040 1 129 659 ALA . 52040 1 130 660 CYS . 52040 1 131 661 ARG . 52040 1 132 662 LEU . 52040 1 133 663 ILE . 52040 1 134 664 GLY . 52040 1 135 665 MET . 52040 1 136 666 LEU . 52040 1 137 667 PHE . 52040 1 138 668 PRO . 52040 1 139 669 GLY . 52040 1 140 670 ASP . 52040 1 141 671 MET . 52040 1 142 672 VAL . 52040 1 143 673 VAL . 52040 1 144 674 PHE . 52040 1 145 675 LYS . 52040 1 146 676 PRO . 52040 1 147 677 GLN . 52040 1 148 678 ILE . 52040 1 149 679 PRO . 52040 1 150 680 ASN . 52040 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 . GLY 1 1 52040 1 . SER 2 2 52040 1 . ASN 3 3 52040 1 . SER 4 4 52040 1 . SER 5 5 52040 1 . ALA 6 6 52040 1 . PRO 7 7 52040 1 . ASN 8 8 52040 1 . MET 9 9 52040 1 . GLN 10 10 52040 1 . LEU 11 11 52040 1 . SER 12 12 52040 1 . GLN 13 13 52040 1 . PRO 14 14 52040 1 . SER 15 15 52040 1 . SER 16 16 52040 1 . GLY 17 17 52040 1 . ALA 18 18 52040 1 . MET 19 19 52040 1 . GLN 20 20 52040 1 . THR 21 21 52040 1 . SER 22 22 52040 1 . GLN 23 23 52040 1 . SER 24 24 52040 1 . LYS 25 25 52040 1 . TYR 26 26 52040 1 . VAL 27 27 52040 1 . LYS 28 28 52040 1 . VAL 29 29 52040 1 . TRP 30 30 52040 1 . GLU 31 31 52040 1 . GLY 32 32 52040 1 . ASN 33 33 52040 1 . LEU 34 34 52040 1 . SER 35 35 52040 1 . GLY 36 36 52040 1 . GLN 37 37 52040 1 . ARG 38 38 52040 1 . GLN 39 39 52040 1 . GLY 40 40 52040 1 . GLN 41 41 52040 1 . PRO 42 42 52040 1 . VAL 43 43 52040 1 . LEU 44 44 52040 1 . ILE 45 45 52040 1 . THR 46 46 52040 1 . ARG 47 47 52040 1 . LEU 48 48 52040 1 . GLU 49 49 52040 1 . GLY 50 50 52040 1 . TYR 51 51 52040 1 . ARG 52 52 52040 1 . SER 53 53 52040 1 . ALA 54 54 52040 1 . SER 55 55 52040 1 . ALA 56 56 52040 1 . SER 57 57 52040 1 . ASP 58 58 52040 1 . SER 59 59 52040 1 . LEU 60 60 52040 1 . ALA 61 61 52040 1 . ALA 62 62 52040 1 . ASN 63 63 52040 1 . TRP 64 64 52040 1 . PRO 65 65 52040 1 . PRO 66 66 52040 1 . THR 67 67 52040 1 . MET 68 68 52040 1 . GLN 69 69 52040 1 . ILE 70 70 52040 1 . VAL 71 71 52040 1 . ARG 72 72 52040 1 . LEU 73 73 52040 1 . ILE 74 74 52040 1 . SER 75 75 52040 1 . GLN 76 76 52040 1 . ASP 77 77 52040 1 . HIS 78 78 52040 1 . MET 79 79 52040 1 . ASN 80 80 52040 1 . ASN 81 81 52040 1 . LYS 82 82 52040 1 . GLN 83 83 52040 1 . TYR 84 84 52040 1 . VAL 85 85 52040 1 . GLY 86 86 52040 1 . LYS 87 87 52040 1 . ALA 88 88 52040 1 . ASP 89 89 52040 1 . PHE 90 90 52040 1 . LEU 91 91 52040 1 . VAL 92 92 52040 1 . PHE 93 93 52040 1 . ARG 94 94 52040 1 . ALA 95 95 52040 1 . MET 96 96 52040 1 . SER 97 97 52040 1 . GLN 98 98 52040 1 . HIS 99 99 52040 1 . GLY 100 100 52040 1 . PHE 101 101 52040 1 . LEU 102 102 52040 1 . GLY 103 103 52040 1 . GLN 104 104 52040 1 . LEU 105 105 52040 1 . GLN 106 106 52040 1 . ASP 107 107 52040 1 . LYS 108 108 52040 1 . LYS 109 109 52040 1 . LEU 110 110 52040 1 . CYS 111 111 52040 1 . ALA 112 112 52040 1 . VAL 113 113 52040 1 . ILE 114 114 52040 1 . GLN 115 115 52040 1 . LEU 116 116 52040 1 . PRO 117 117 52040 1 . SER 118 118 52040 1 . GLN 119 119 52040 1 . THR 120 120 52040 1 . LEU 121 121 52040 1 . LEU 122 122 52040 1 . LEU 123 123 52040 1 . SER 124 124 52040 1 . VAL 125 125 52040 1 . SER 126 126 52040 1 . ASP 127 127 52040 1 . LYS 128 128 52040 1 . ALA 129 129 52040 1 . CYS 130 130 52040 1 . ARG 131 131 52040 1 . LEU 132 132 52040 1 . ILE 133 133 52040 1 . GLY 134 134 52040 1 . MET 135 135 52040 1 . LEU 136 136 52040 1 . PHE 137 137 52040 1 . PRO 138 138 52040 1 . GLY 139 139 52040 1 . ASP 140 140 52040 1 . MET 141 141 52040 1 . VAL 142 142 52040 1 . VAL 143 143 52040 1 . PHE 144 144 52040 1 . LYS 145 145 52040 1 . PRO 146 146 52040 1 . GLN 147 147 52040 1 . ILE 148 148 52040 1 . PRO 149 149 52040 1 . ASN 150 150 52040 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52040 _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 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 52040 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52040 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . 'pGEX 4t1' . . . 52040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52040 _Sample.ID 1 _Sample.Name 'Unbound Med25ACID' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 Med25ACID '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52040 1 2 'Sodium Phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 52040 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52040 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 52040 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 52040 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Experimental conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 52040 1 pH 6.5 . pH 52040 1 pressure 1 . atm 52040 1 temperature 298.15 . K 52040 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52040 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52040 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52040 _Software.ID 2 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52040 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52040 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AVANCE 750' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52040 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker AVANCE 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52040 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52040 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52040 1 3 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52040 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52040 1 5 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52040 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Ref _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 internal indirect 0.23503 . . . . . 52040 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52040 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.15751 . . . . . 52040 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52040 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Unbound _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 $chem_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 '2D 1H-15N HSQC' . . . 52040 1 2 '3D HNCACB' . . . 52040 1 3 '3D HN(CO)CACB' . . . 52040 1 4 '3D HNCO' . . . 52040 1 5 '3D HNCACO' . . . 52040 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52040 1 2 $software_2 . . 52040 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 3 3 ASN C C 13 175.388 0.007 . 1 . . . . . 533 ASN C . 52040 1 2 . 1 . 1 3 3 ASN CA C 13 53.481 0.054 . 1 . . . . . 533 ASN CA . 52040 1 3 . 1 . 1 3 3 ASN CB C 13 38.846 0.018 . 1 . . . . . 533 ASN CB . 52040 1 4 . 1 . 1 4 4 SER H H 1 8.332 0.005 . 1 . . . . . 534 SER H . 52040 1 5 . 1 . 1 4 4 SER C C 13 174.514 0.001 . 1 . . . . . 534 SER C . 52040 1 6 . 1 . 1 4 4 SER CA C 13 58.567 0.025 . 1 . . . . . 534 SER CA . 52040 1 7 . 1 . 1 4 4 SER CB C 13 63.796 0.020 . 1 . . . . . 534 SER CB . 52040 1 8 . 1 . 1 4 4 SER N N 15 116.358 0.047 . 1 . . . . . 534 SER N . 52040 1 9 . 1 . 1 5 5 SER H H 1 8.329 0.002 . 1 . . . . . 535 SER H . 52040 1 10 . 1 . 1 5 5 SER C C 13 173.737 0.001 . 1 . . . . . 535 SER C . 52040 1 11 . 1 . 1 5 5 SER CA C 13 58.144 0.057 . 1 . . . . . 535 SER CA . 52040 1 12 . 1 . 1 5 5 SER CB C 13 63.853 0.019 . 1 . . . . . 535 SER CB . 52040 1 13 . 1 . 1 5 5 SER N N 15 117.846 0.039 . 1 . . . . . 535 SER N . 52040 1 14 . 1 . 1 6 6 ALA H H 1 8.206 0.004 . 1 . . . . . 536 ALA H . 52040 1 15 . 1 . 1 6 6 ALA C C 13 175.567 0.000 . 1 . . . . . 536 ALA C . 52040 1 16 . 1 . 1 6 6 ALA CA C 13 50.693 0.000 . 1 . . . . . 536 ALA CA . 52040 1 17 . 1 . 1 6 6 ALA CB C 13 18.282 0.000 . 1 . . . . . 536 ALA CB . 52040 1 18 . 1 . 1 6 6 ALA N N 15 126.917 0.032 . 1 . . . . . 536 ALA N . 52040 1 19 . 1 . 1 7 7 PRO C C 13 176.717 0.010 . 1 . . . . . 537 PRO C . 52040 1 20 . 1 . 1 7 7 PRO CA C 13 63.603 0.055 . 1 . . . . . 537 PRO CA . 52040 1 21 . 1 . 1 7 7 PRO CB C 13 32.047 0.027 . 1 . . . . . 537 PRO CB . 52040 1 22 . 1 . 1 8 8 ASN H H 1 8.468 0.002 . 1 . . . . . 538 ASN H . 52040 1 23 . 1 . 1 8 8 ASN C C 13 175.464 0.011 . 1 . . . . . 538 ASN C . 52040 1 24 . 1 . 1 8 8 ASN CA C 13 53.422 0.054 . 1 . . . . . 538 ASN CA . 52040 1 25 . 1 . 1 8 8 ASN CB C 13 38.621 0.020 . 1 . . . . . 538 ASN CB . 52040 1 26 . 1 . 1 8 8 ASN N N 15 118.084 0.039 . 1 . . . . . 538 ASN N . 52040 1 27 . 1 . 1 9 9 MET H H 1 8.314 0.005 . 1 . . . . . 539 MET H . 52040 1 28 . 1 . 1 9 9 MET C C 13 176.181 0.008 . 1 . . . . . 539 MET C . 52040 1 29 . 1 . 1 9 9 MET CA C 13 55.579 0.033 . 1 . . . . . 539 MET CA . 52040 1 30 . 1 . 1 9 9 MET CB C 13 32.699 0.013 . 1 . . . . . 539 MET CB . 52040 1 31 . 1 . 1 9 9 MET N N 15 121.066 0.040 . 1 . . . . . 539 MET N . 52040 1 32 . 1 . 1 10 10 GLN H H 1 8.333 0.003 . 1 . . . . . 540 GLN H . 52040 1 33 . 1 . 1 10 10 GLN C C 13 175.938 0.010 . 1 . . . . . 540 GLN C . 52040 1 34 . 1 . 1 10 10 GLN CA C 13 56.130 0.053 . 1 . . . . . 540 GLN CA . 52040 1 35 . 1 . 1 10 10 GLN CB C 13 29.290 0.016 . 1 . . . . . 540 GLN CB . 52040 1 36 . 1 . 1 10 10 GLN N N 15 121.041 0.039 . 1 . . . . . 540 GLN N . 52040 1 37 . 1 . 1 11 11 LEU H H 1 8.198 0.003 . 1 . . . . . 541 LEU H . 52040 1 38 . 1 . 1 11 11 LEU C C 13 177.316 0.008 . 1 . . . . . 541 LEU C . 52040 1 39 . 1 . 1 11 11 LEU CA C 13 55.158 0.036 . 1 . . . . . 541 LEU CA . 52040 1 40 . 1 . 1 11 11 LEU CB C 13 42.426 0.015 . 1 . . . . . 541 LEU CB . 52040 1 41 . 1 . 1 11 11 LEU N N 15 122.987 0.035 . 1 . . . . . 541 LEU N . 52040 1 42 . 1 . 1 12 12 SER H H 1 8.223 0.003 . 1 . . . . . 542 SER H . 52040 1 43 . 1 . 1 12 12 SER C C 13 173.375 0.000 . 1 . . . . . 542 SER C . 52040 1 44 . 1 . 1 12 12 SER CA C 13 58.180 0.055 . 1 . . . . . 542 SER CA . 52040 1 45 . 1 . 1 12 12 SER CB C 13 63.765 0.012 . 1 . . . . . 542 SER CB . 52040 1 46 . 1 . 1 12 12 SER N N 15 116.365 0.049 . 1 . . . . . 542 SER N . 52040 1 47 . 1 . 1 13 13 GLN H H 1 8.324 0.003 . 1 . . . . . 543 GLN H . 52040 1 48 . 1 . 1 13 13 GLN CA C 13 53.649 0.000 . 1 . . . . . 543 GLN CA . 52040 1 49 . 1 . 1 13 13 GLN CB C 13 29.118 0.000 . 1 . . . . . 543 GLN CB . 52040 1 50 . 1 . 1 13 13 GLN N N 15 122.717 0.038 . 1 . . . . . 543 GLN N . 52040 1 51 . 1 . 1 14 14 PRO C C 13 177.088 0.002 . 1 . . . . . 544 PRO C . 52040 1 52 . 1 . 1 14 14 PRO CA C 13 63.511 0.000 . 1 . . . . . 544 PRO CA . 52040 1 53 . 1 . 1 14 14 PRO CB C 13 32.124 0.008 . 1 . . . . . 544 PRO CB . 52040 1 54 . 1 . 1 15 15 SER H H 1 8.473 0.002 . 1 . . . . . 545 SER H . 52040 1 55 . 1 . 1 15 15 SER C C 13 174.876 0.012 . 1 . . . . . 545 SER C . 52040 1 56 . 1 . 1 15 15 SER CA C 13 58.403 0.018 . 1 . . . . . 545 SER CA . 52040 1 57 . 1 . 1 15 15 SER CB C 13 63.808 0.039 . 1 . . . . . 545 SER CB . 52040 1 58 . 1 . 1 15 15 SER N N 15 116.174 0.032 . 1 . . . . . 545 SER N . 52040 1 59 . 1 . 1 16 16 SER H H 1 8.370 0.003 . 1 . . . . . 546 SER H . 52040 1 60 . 1 . 1 16 16 SER C C 13 175.173 0.011 . 1 . . . . . 546 SER C . 52040 1 61 . 1 . 1 16 16 SER CA C 13 58.845 0.041 . 1 . . . . . 546 SER CA . 52040 1 62 . 1 . 1 16 16 SER CB C 13 63.848 0.016 . 1 . . . . . 546 SER CB . 52040 1 63 . 1 . 1 16 16 SER N N 15 117.656 0.034 . 1 . . . . . 546 SER N . 52040 1 64 . 1 . 1 17 17 GLY H H 1 8.412 0.003 . 1 . . . . . 547 GLY H . 52040 1 65 . 1 . 1 17 17 GLY C C 13 174.048 0.000 . 1 . . . . . 547 GLY C . 52040 1 66 . 1 . 1 17 17 GLY CA C 13 45.604 0.000 . 1 . . . . . 547 GLY CA . 52040 1 67 . 1 . 1 17 17 GLY N N 15 110.770 0.050 . 1 . . . . . 547 GLY N . 52040 1 68 . 1 . 1 18 18 ALA H H 1 8.113 0.004 . 1 . . . . . 548 ALA H . 52040 1 69 . 1 . 1 18 18 ALA C C 13 177.946 0.014 . 1 . . . . . 548 ALA C . 52040 1 70 . 1 . 1 18 18 ALA CA C 13 52.801 0.007 . 1 . . . . . 548 ALA CA . 52040 1 71 . 1 . 1 18 18 ALA CB C 13 19.337 0.008 . 1 . . . . . 548 ALA CB . 52040 1 72 . 1 . 1 18 18 ALA N N 15 123.611 0.040 . 1 . . . . . 548 ALA N . 52040 1 73 . 1 . 1 19 19 MET H H 1 8.297 0.003 . 1 . . . . . 549 MET H . 52040 1 74 . 1 . 1 19 19 MET C C 13 176.379 0.014 . 1 . . . . . 549 MET C . 52040 1 75 . 1 . 1 19 19 MET CA C 13 55.779 0.087 . 1 . . . . . 549 MET CA . 52040 1 76 . 1 . 1 19 19 MET CB C 13 32.751 0.014 . 1 . . . . . 549 MET CB . 52040 1 77 . 1 . 1 19 19 MET N N 15 118.982 0.034 . 1 . . . . . 549 MET N . 52040 1 78 . 1 . 1 20 20 GLN H H 1 8.366 0.003 . 1 . . . . . 550 GLN H . 52040 1 79 . 1 . 1 20 20 GLN C C 13 176.356 0.003 . 1 . . . . . 550 GLN C . 52040 1 80 . 1 . 1 20 20 GLN CA C 13 56.223 0.014 . 1 . . . . . 550 GLN CA . 52040 1 81 . 1 . 1 20 20 GLN CB C 13 29.405 0.026 . 1 . . . . . 550 GLN CB . 52040 1 82 . 1 . 1 20 20 GLN N N 15 121.396 0.054 . 1 . . . . . 550 GLN N . 52040 1 83 . 1 . 1 21 21 THR H H 1 8.209 0.003 . 1 . . . . . 551 THR H . 52040 1 84 . 1 . 1 21 21 THR C C 13 174.898 0.015 . 1 . . . . . 551 THR C . 52040 1 85 . 1 . 1 21 21 THR CA C 13 62.114 0.036 . 1 . . . . . 551 THR CA . 52040 1 86 . 1 . 1 21 21 THR CB C 13 69.813 0.011 . 1 . . . . . 551 THR CB . 52040 1 87 . 1 . 1 21 21 THR N N 15 114.725 0.034 . 1 . . . . . 551 THR N . 52040 1 88 . 1 . 1 22 22 SER H H 1 8.340 0.004 . 1 . . . . . 552 SER H . 52040 1 89 . 1 . 1 22 22 SER C C 13 174.803 0.000 . 1 . . . . . 552 SER C . 52040 1 90 . 1 . 1 22 22 SER CA C 13 58.899 0.044 . 1 . . . . . 552 SER CA . 52040 1 91 . 1 . 1 22 22 SER CB C 13 63.720 0.019 . 1 . . . . . 552 SER CB . 52040 1 92 . 1 . 1 22 22 SER N N 15 117.502 0.012 . 1 . . . . . 552 SER N . 52040 1 93 . 1 . 1 23 23 GLN H H 1 8.384 0.004 . 1 . . . . . 553 GLN H . 52040 1 94 . 1 . 1 23 23 GLN C C 13 176.082 0.004 . 1 . . . . . 553 GLN C . 52040 1 95 . 1 . 1 23 23 GLN CA C 13 56.186 0.079 . 1 . . . . . 553 GLN CA . 52040 1 96 . 1 . 1 23 23 GLN CB C 13 29.380 0.027 . 1 . . . . . 553 GLN CB . 52040 1 97 . 1 . 1 23 23 GLN N N 15 121.810 0.044 . 1 . . . . . 553 GLN N . 52040 1 98 . 1 . 1 24 24 SER H H 1 8.207 0.004 . 1 . . . . . 554 SER H . 52040 1 99 . 1 . 1 24 24 SER C C 13 174.023 0.012 . 1 . . . . . 554 SER C . 52040 1 100 . 1 . 1 24 24 SER CA C 13 58.787 0.046 . 1 . . . . . 554 SER CA . 52040 1 101 . 1 . 1 24 24 SER CB C 13 63.830 0.041 . 1 . . . . . 554 SER CB . 52040 1 102 . 1 . 1 24 24 SER N N 15 116.539 0.039 . 1 . . . . . 554 SER N . 52040 1 103 . 1 . 1 25 25 LYS H H 1 8.197 0.004 . 1 . . . . . 555 LYS H . 52040 1 104 . 1 . 1 25 25 LYS C C 13 175.578 0.000 . 1 . . . . . 555 LYS C . 52040 1 105 . 1 . 1 25 25 LYS CA C 13 56.554 0.000 . 1 . . . . . 555 LYS CA . 52040 1 106 . 1 . 1 25 25 LYS CB C 13 33.309 0.000 . 1 . . . . . 555 LYS CB . 52040 1 107 . 1 . 1 25 25 LYS N N 15 122.766 0.052 . 1 . . . . . 555 LYS N . 52040 1 108 . 1 . 1 26 26 TYR H H 1 8.304 0.003 . 1 . . . . . 556 TYR H . 52040 1 109 . 1 . 1 26 26 TYR C C 13 175.814 0.001 . 1 . . . . . 556 TYR C . 52040 1 110 . 1 . 1 26 26 TYR CA C 13 57.655 0.019 . 1 . . . . . 556 TYR CA . 52040 1 111 . 1 . 1 26 26 TYR CB C 13 41.536 0.023 . 1 . . . . . 556 TYR CB . 52040 1 112 . 1 . 1 26 26 TYR N N 15 120.647 0.033 . 1 . . . . . 556 TYR N . 52040 1 113 . 1 . 1 27 27 VAL H H 1 9.303 0.004 . 1 . . . . . 557 VAL H . 52040 1 114 . 1 . 1 27 27 VAL C C 13 175.144 0.011 . 1 . . . . . 557 VAL C . 52040 1 115 . 1 . 1 27 27 VAL CA C 13 61.006 0.024 . 1 . . . . . 557 VAL CA . 52040 1 116 . 1 . 1 27 27 VAL CB C 13 35.845 0.081 . 1 . . . . . 557 VAL CB . 52040 1 117 . 1 . 1 27 27 VAL N N 15 120.609 0.052 . 1 . . . . . 557 VAL N . 52040 1 118 . 1 . 1 28 28 LYS H H 1 9.096 0.003 . 1 . . . . . 558 LYS H . 52040 1 119 . 1 . 1 28 28 LYS C C 13 176.801 0.011 . 1 . . . . . 558 LYS C . 52040 1 120 . 1 . 1 28 28 LYS CA C 13 57.910 0.060 . 1 . . . . . 558 LYS CA . 52040 1 121 . 1 . 1 28 28 LYS CB C 13 32.493 0.003 . 1 . . . . . 558 LYS CB . 52040 1 122 . 1 . 1 28 28 LYS N N 15 130.116 0.028 . 1 . . . . . 558 LYS N . 52040 1 123 . 1 . 1 29 29 VAL H H 1 8.953 0.004 . 1 . . . . . 559 VAL H . 52040 1 124 . 1 . 1 29 29 VAL C C 13 174.152 0.003 . 1 . . . . . 559 VAL C . 52040 1 125 . 1 . 1 29 29 VAL CA C 13 59.812 0.042 . 1 . . . . . 559 VAL CA . 52040 1 126 . 1 . 1 29 29 VAL CB C 13 34.636 0.003 . 1 . . . . . 559 VAL CB . 52040 1 127 . 1 . 1 29 29 VAL N N 15 119.879 0.040 . 1 . . . . . 559 VAL N . 52040 1 128 . 1 . 1 30 30 TRP H H 1 7.475 0.004 . 1 . . . . . 560 TRP H . 52040 1 129 . 1 . 1 30 30 TRP C C 13 172.956 0.000 . 1 . . . . . 560 TRP C . 52040 1 130 . 1 . 1 30 30 TRP CA C 13 58.319 0.000 . 1 . . . . . 560 TRP CA . 52040 1 131 . 1 . 1 30 30 TRP CB C 13 33.054 0.000 . 1 . . . . . 560 TRP CB . 52040 1 132 . 1 . 1 30 30 TRP N N 15 121.534 0.046 . 1 . . . . . 560 TRP N . 52040 1 133 . 1 . 1 31 31 GLU H H 1 7.148 0.003 . 1 . . . . . 561 GLU H . 52040 1 134 . 1 . 1 31 31 GLU C C 13 172.614 0.007 . 1 . . . . . 561 GLU C . 52040 1 135 . 1 . 1 31 31 GLU CA C 13 54.968 0.015 . 1 . . . . . 561 GLU CA . 52040 1 136 . 1 . 1 31 31 GLU CB C 13 33.582 0.009 . 1 . . . . . 561 GLU CB . 52040 1 137 . 1 . 1 31 31 GLU N N 15 126.283 0.039 . 1 . . . . . 561 GLU N . 52040 1 138 . 1 . 1 32 32 GLY H H 1 7.571 0.004 . 1 . . . . . 562 GLY H . 52040 1 139 . 1 . 1 32 32 GLY C C 13 171.285 0.011 . 1 . . . . . 562 GLY C . 52040 1 140 . 1 . 1 32 32 GLY CA C 13 46.213 0.037 . 1 . . . . . 562 GLY CA . 52040 1 141 . 1 . 1 32 32 GLY N N 15 109.873 0.039 . 1 . . . . . 562 GLY N . 52040 1 142 . 1 . 1 33 33 ASN H H 1 8.481 0.004 . 1 . . . . . 563 ASN H . 52040 1 143 . 1 . 1 33 33 ASN C C 13 173.580 0.016 . 1 . . . . . 563 ASN C . 52040 1 144 . 1 . 1 33 33 ASN CA C 13 52.371 0.000 . 1 . . . . . 563 ASN CA . 52040 1 145 . 1 . 1 33 33 ASN CB C 13 41.191 0.074 . 1 . . . . . 563 ASN CB . 52040 1 146 . 1 . 1 33 33 ASN N N 15 117.057 0.045 . 1 . . . . . 563 ASN N . 52040 1 147 . 1 . 1 34 34 LEU H H 1 8.825 0.006 . 1 . . . . . 564 LEU H . 52040 1 148 . 1 . 1 34 34 LEU C C 13 174.167 0.011 . 1 . . . . . 564 LEU C . 52040 1 149 . 1 . 1 34 34 LEU CA C 13 53.696 0.038 . 1 . . . . . 564 LEU CA . 52040 1 150 . 1 . 1 34 34 LEU CB C 13 44.527 0.053 . 1 . . . . . 564 LEU CB . 52040 1 151 . 1 . 1 34 34 LEU N N 15 122.100 0.046 . 1 . . . . . 564 LEU N . 52040 1 152 . 1 . 1 35 35 SER H H 1 9.020 0.004 . 1 . . . . . 565 SER H . 52040 1 153 . 1 . 1 35 35 SER C C 13 173.169 0.011 . 1 . . . . . 565 SER C . 52040 1 154 . 1 . 1 35 35 SER CA C 13 56.559 0.059 . 1 . . . . . 565 SER CA . 52040 1 155 . 1 . 1 35 35 SER CB C 13 65.894 0.013 . 1 . . . . . 565 SER CB . 52040 1 156 . 1 . 1 35 35 SER N N 15 122.609 0.055 . 1 . . . . . 565 SER N . 52040 1 157 . 1 . 1 36 36 GLY H H 1 8.672 0.004 . 1 . . . . . 566 GLY H . 52040 1 158 . 1 . 1 36 36 GLY C C 13 173.004 0.007 . 1 . . . . . 566 GLY C . 52040 1 159 . 1 . 1 36 36 GLY CA C 13 44.282 0.091 . 1 . . . . . 566 GLY CA . 52040 1 160 . 1 . 1 36 36 GLY N N 15 111.254 0.041 . 1 . . . . . 566 GLY N . 52040 1 161 . 1 . 1 37 37 GLN H H 1 8.599 0.003 . 1 . . . . . 567 GLN H . 52040 1 162 . 1 . 1 37 37 GLN C C 13 175.348 0.010 . 1 . . . . . 567 GLN C . 52040 1 163 . 1 . 1 37 37 GLN CA C 13 55.180 0.030 . 1 . . . . . 567 GLN CA . 52040 1 164 . 1 . 1 37 37 GLN CB C 13 31.992 0.056 . 1 . . . . . 567 GLN CB . 52040 1 165 . 1 . 1 37 37 GLN N N 15 121.020 0.072 . 1 . . . . . 567 GLN N . 52040 1 166 . 1 . 1 38 38 ARG H H 1 9.020 0.004 . 1 . . . . . 568 ARG H . 52040 1 167 . 1 . 1 38 38 ARG C C 13 175.830 0.000 . 1 . . . . . 568 ARG C . 52040 1 168 . 1 . 1 38 38 ARG CA C 13 56.044 0.000 . 1 . . . . . 568 ARG CA . 52040 1 169 . 1 . 1 38 38 ARG CB C 13 32.752 0.000 . 1 . . . . . 568 ARG CB . 52040 1 170 . 1 . 1 38 38 ARG N N 15 123.391 0.049 . 1 . . . . . 568 ARG N . 52040 1 171 . 1 . 1 39 39 GLN C C 13 176.099 0.000 . 1 . . . . . 569 GLN C . 52040 1 172 . 1 . 1 40 40 GLY H H 1 8.601 0.003 . 1 . . . . . 570 GLY H . 52040 1 173 . 1 . 1 40 40 GLY C C 13 173.763 0.000 . 1 . . . . . 570 GLY C . 52040 1 174 . 1 . 1 40 40 GLY CA C 13 45.617 0.024 . 1 . . . . . 570 GLY CA . 52040 1 175 . 1 . 1 40 40 GLY N N 15 104.357 0.038 . 1 . . . . . 570 GLY N . 52040 1 176 . 1 . 1 41 41 GLN H H 1 7.753 0.004 . 1 . . . . . 571 GLN H . 52040 1 177 . 1 . 1 41 41 GLN C C 13 176.239 0.000 . 1 . . . . . 571 GLN C . 52040 1 178 . 1 . 1 41 41 GLN CA C 13 52.283 0.000 . 1 . . . . . 571 GLN CA . 52040 1 179 . 1 . 1 41 41 GLN CB C 13 30.075 0.000 . 1 . . . . . 571 GLN CB . 52040 1 180 . 1 . 1 41 41 GLN N N 15 119.781 0.037 . 1 . . . . . 571 GLN N . 52040 1 181 . 1 . 1 42 42 PRO C C 13 176.906 0.005 . 1 . . . . . 572 PRO C . 52040 1 182 . 1 . 1 42 42 PRO CA C 13 62.717 0.051 . 1 . . . . . 572 PRO CA . 52040 1 183 . 1 . 1 42 42 PRO CB C 13 32.154 0.003 . 1 . . . . . 572 PRO CB . 52040 1 184 . 1 . 1 43 43 VAL H H 1 8.106 0.004 . 1 . . . . . 573 VAL H . 52040 1 185 . 1 . 1 43 43 VAL C C 13 173.753 0.019 . 1 . . . . . 573 VAL C . 52040 1 186 . 1 . 1 43 43 VAL CA C 13 60.326 0.131 . 1 . . . . . 573 VAL CA . 52040 1 187 . 1 . 1 43 43 VAL CB C 13 35.058 0.000 . 1 . . . . . 573 VAL CB . 52040 1 188 . 1 . 1 43 43 VAL N N 15 120.521 0.038 . 1 . . . . . 573 VAL N . 52040 1 189 . 1 . 1 44 44 LEU H H 1 8.470 0.005 . 1 . . . . . 574 LEU H . 52040 1 190 . 1 . 1 44 44 LEU C C 13 176.101 0.014 . 1 . . . . . 574 LEU C . 52040 1 191 . 1 . 1 44 44 LEU CA C 13 55.612 0.000 . 1 . . . . . 574 LEU CA . 52040 1 192 . 1 . 1 44 44 LEU CB C 13 41.916 0.000 . 1 . . . . . 574 LEU CB . 52040 1 193 . 1 . 1 44 44 LEU N N 15 128.340 0.022 . 1 . . . . . 574 LEU N . 52040 1 194 . 1 . 1 45 45 ILE H H 1 8.869 0.005 . 1 . . . . . 575 ILE H . 52040 1 195 . 1 . 1 45 45 ILE N N 15 126.893 0.033 . 1 . . . . . 575 ILE N . 52040 1 196 . 1 . 1 46 46 THR H H 1 7.300 0.002 . 1 . . . . . 576 THR H . 52040 1 197 . 1 . 1 46 46 THR N N 15 108.318 0.043 . 1 . . . . . 576 THR N . 52040 1 198 . 1 . 1 47 47 ARG H H 1 8.558 0.004 . 1 . . . . . 577 ARG H . 52040 1 199 . 1 . 1 47 47 ARG C C 13 175.440 0.000 . 1 . . . . . 577 ARG C . 52040 1 200 . 1 . 1 47 47 ARG N N 15 125.360 0.064 . 1 . . . . . 577 ARG N . 52040 1 201 . 1 . 1 48 48 LEU H H 1 9.445 0.005 . 1 . . . . . 578 LEU H . 52040 1 202 . 1 . 1 48 48 LEU C C 13 175.711 0.000 . 1 . . . . . 578 LEU C . 52040 1 203 . 1 . 1 48 48 LEU CA C 13 53.639 0.002 . 1 . . . . . 578 LEU CA . 52040 1 204 . 1 . 1 48 48 LEU CB C 13 47.857 0.040 . 1 . . . . . 578 LEU CB . 52040 1 205 . 1 . 1 48 48 LEU N N 15 124.996 0.034 . 1 . . . . . 578 LEU N . 52040 1 206 . 1 . 1 49 49 GLU H H 1 8.689 0.004 . 1 . . . . . 579 GLU H . 52040 1 207 . 1 . 1 49 49 GLU C C 13 176.173 0.002 . 1 . . . . . 579 GLU C . 52040 1 208 . 1 . 1 49 49 GLU CA C 13 55.045 0.012 . 1 . . . . . 579 GLU CA . 52040 1 209 . 1 . 1 49 49 GLU CB C 13 34.887 0.030 . 1 . . . . . 579 GLU CB . 52040 1 210 . 1 . 1 49 49 GLU N N 15 116.762 0.047 . 1 . . . . . 579 GLU N . 52040 1 211 . 1 . 1 50 50 GLY H H 1 9.578 0.003 . 1 . . . . . 580 GLY H . 52040 1 212 . 1 . 1 50 50 GLY C C 13 171.828 0.010 . 1 . . . . . 580 GLY C . 52040 1 213 . 1 . 1 50 50 GLY CA C 13 46.200 0.007 . 1 . . . . . 580 GLY CA . 52040 1 214 . 1 . 1 50 50 GLY N N 15 109.005 0.041 . 1 . . . . . 580 GLY N . 52040 1 215 . 1 . 1 51 51 TYR H H 1 9.207 0.004 . 1 . . . . . 581 TYR H . 52040 1 216 . 1 . 1 51 51 TYR C C 13 174.317 0.009 . 1 . . . . . 581 TYR C . 52040 1 217 . 1 . 1 51 51 TYR CA C 13 57.164 0.067 . 1 . . . . . 581 TYR CA . 52040 1 218 . 1 . 1 51 51 TYR CB C 13 41.415 0.015 . 1 . . . . . 581 TYR CB . 52040 1 219 . 1 . 1 51 51 TYR N N 15 122.084 0.039 . 1 . . . . . 581 TYR N . 52040 1 220 . 1 . 1 52 52 ARG H H 1 9.049 0.004 . 1 . . . . . 582 ARG H . 52040 1 221 . 1 . 1 52 52 ARG C C 13 175.677 0.007 . 1 . . . . . 582 ARG C . 52040 1 222 . 1 . 1 52 52 ARG CA C 13 52.543 0.026 . 1 . . . . . 582 ARG CA . 52040 1 223 . 1 . 1 52 52 ARG CB C 13 33.208 0.010 . 1 . . . . . 582 ARG CB . 52040 1 224 . 1 . 1 52 52 ARG N N 15 117.290 0.047 . 1 . . . . . 582 ARG N . 52040 1 225 . 1 . 1 53 53 SER H H 1 9.552 0.003 . 1 . . . . . 583 SER H . 52040 1 226 . 1 . 1 53 53 SER C C 13 177.266 0.018 . 1 . . . . . 583 SER C . 52040 1 227 . 1 . 1 53 53 SER CA C 13 58.915 0.042 . 1 . . . . . 583 SER CA . 52040 1 228 . 1 . 1 53 53 SER CB C 13 63.495 0.041 . 1 . . . . . 583 SER CB . 52040 1 229 . 1 . 1 53 53 SER N N 15 117.987 0.037 . 1 . . . . . 583 SER N . 52040 1 230 . 1 . 1 54 54 ALA H H 1 8.493 0.003 . 1 . . . . . 584 ALA H . 52040 1 231 . 1 . 1 54 54 ALA C C 13 177.810 0.008 . 1 . . . . . 584 ALA C . 52040 1 232 . 1 . 1 54 54 ALA CA C 13 54.992 0.034 . 1 . . . . . 584 ALA CA . 52040 1 233 . 1 . 1 54 54 ALA CB C 13 18.464 0.027 . 1 . . . . . 584 ALA CB . 52040 1 234 . 1 . 1 54 54 ALA N N 15 128.178 0.038 . 1 . . . . . 584 ALA N . 52040 1 235 . 1 . 1 55 55 SER H H 1 7.869 0.004 . 1 . . . . . 585 SER H . 52040 1 236 . 1 . 1 55 55 SER C C 13 174.304 0.002 . 1 . . . . . 585 SER C . 52040 1 237 . 1 . 1 55 55 SER CA C 13 58.299 0.056 . 1 . . . . . 585 SER CA . 52040 1 238 . 1 . 1 55 55 SER CB C 13 63.629 0.026 . 1 . . . . . 585 SER CB . 52040 1 239 . 1 . 1 55 55 SER N N 15 109.145 0.041 . 1 . . . . . 585 SER N . 52040 1 240 . 1 . 1 56 56 ALA H H 1 7.421 0.004 . 1 . . . . . 586 ALA H . 52040 1 241 . 1 . 1 56 56 ALA C C 13 175.795 0.003 . 1 . . . . . 586 ALA C . 52040 1 242 . 1 . 1 56 56 ALA CA C 13 51.232 0.051 . 1 . . . . . 586 ALA CA . 52040 1 243 . 1 . 1 56 56 ALA CB C 13 20.662 0.058 . 1 . . . . . 586 ALA CB . 52040 1 244 . 1 . 1 56 56 ALA N N 15 125.659 0.040 . 1 . . . . . 586 ALA N . 52040 1 245 . 1 . 1 57 57 SER H H 1 8.288 0.004 . 1 . . . . . 587 SER H . 52040 1 246 . 1 . 1 57 57 SER C C 13 175.428 0.011 . 1 . . . . . 587 SER C . 52040 1 247 . 1 . 1 57 57 SER CA C 13 57.956 0.026 . 1 . . . . . 587 SER CA . 52040 1 248 . 1 . 1 57 57 SER CB C 13 64.085 0.013 . 1 . . . . . 587 SER CB . 52040 1 249 . 1 . 1 57 57 SER N N 15 112.527 0.042 . 1 . . . . . 587 SER N . 52040 1 250 . 1 . 1 58 58 ASP H H 1 8.549 0.003 . 1 . . . . . 588 ASP H . 52040 1 251 . 1 . 1 58 58 ASP C C 13 177.898 0.080 . 1 . . . . . 588 ASP C . 52040 1 252 . 1 . 1 58 58 ASP CA C 13 55.701 0.060 . 1 . . . . . 588 ASP CA . 52040 1 253 . 1 . 1 58 58 ASP CB C 13 40.685 0.039 . 1 . . . . . 588 ASP CB . 52040 1 254 . 1 . 1 58 58 ASP N N 15 123.417 0.042 . 1 . . . . . 588 ASP N . 52040 1 255 . 1 . 1 59 59 SER H H 1 8.140 0.004 . 1 . . . . . 589 SER H . 52040 1 256 . 1 . 1 59 59 SER C C 13 175.974 0.006 . 1 . . . . . 589 SER C . 52040 1 257 . 1 . 1 59 59 SER CA C 13 58.673 0.060 . 1 . . . . . 589 SER CA . 52040 1 258 . 1 . 1 59 59 SER CB C 13 63.341 0.018 . 1 . . . . . 589 SER CB . 52040 1 259 . 1 . 1 59 59 SER N N 15 113.829 0.035 . 1 . . . . . 589 SER N . 52040 1 260 . 1 . 1 60 60 LEU H H 1 7.122 0.004 . 1 . . . . . 590 LEU H . 52040 1 261 . 1 . 1 60 60 LEU C C 13 176.564 0.011 . 1 . . . . . 590 LEU C . 52040 1 262 . 1 . 1 60 60 LEU CA C 13 57.946 0.059 . 1 . . . . . 590 LEU CA . 52040 1 263 . 1 . 1 60 60 LEU CB C 13 42.314 0.036 . 1 . . . . . 590 LEU CB . 52040 1 264 . 1 . 1 60 60 LEU N N 15 121.084 0.051 . 1 . . . . . 590 LEU N . 52040 1 265 . 1 . 1 61 61 ALA H H 1 7.596 0.003 . 1 . . . . . 591 ALA H . 52040 1 266 . 1 . 1 61 61 ALA C C 13 178.148 0.009 . 1 . . . . . 591 ALA C . 52040 1 267 . 1 . 1 61 61 ALA CA C 13 49.576 0.015 . 1 . . . . . 591 ALA CA . 52040 1 268 . 1 . 1 61 61 ALA CB C 13 17.451 0.035 . 1 . . . . . 591 ALA CB . 52040 1 269 . 1 . 1 61 61 ALA N N 15 118.744 0.031 . 1 . . . . . 591 ALA N . 52040 1 270 . 1 . 1 62 62 ALA H H 1 7.134 0.004 . 1 . . . . . 592 ALA H . 52040 1 271 . 1 . 1 62 62 ALA C C 13 178.705 0.010 . 1 . . . . . 592 ALA C . 52040 1 272 . 1 . 1 62 62 ALA CA C 13 55.066 0.069 . 1 . . . . . 592 ALA CA . 52040 1 273 . 1 . 1 62 62 ALA CB C 13 18.907 0.020 . 1 . . . . . 592 ALA CB . 52040 1 274 . 1 . 1 62 62 ALA N N 15 122.916 0.036 . 1 . . . . . 592 ALA N . 52040 1 275 . 1 . 1 63 63 ASN H H 1 8.290 0.005 . 1 . . . . . 593 ASN H . 52040 1 276 . 1 . 1 63 63 ASN C C 13 175.286 0.001 . 1 . . . . . 593 ASN C . 52040 1 277 . 1 . 1 63 63 ASN CA C 13 51.876 0.032 . 1 . . . . . 593 ASN CA . 52040 1 278 . 1 . 1 63 63 ASN CB C 13 38.428 0.024 . 1 . . . . . 593 ASN CB . 52040 1 279 . 1 . 1 63 63 ASN N N 15 112.119 0.041 . 1 . . . . . 593 ASN N . 52040 1 280 . 1 . 1 64 64 TRP H H 1 7.565 0.007 . 1 . . . . . 594 TRP H . 52040 1 281 . 1 . 1 64 64 TRP C C 13 174.743 0.000 . 1 . . . . . 594 TRP C . 52040 1 282 . 1 . 1 64 64 TRP CA C 13 55.135 0.000 . 1 . . . . . 594 TRP CA . 52040 1 283 . 1 . 1 64 64 TRP CB C 13 27.781 0.000 . 1 . . . . . 594 TRP CB . 52040 1 284 . 1 . 1 64 64 TRP N N 15 120.746 0.063 . 1 . . . . . 594 TRP N . 52040 1 285 . 1 . 1 66 66 PRO C C 13 177.076 0.000 . 1 . . . . . 596 PRO C . 52040 1 286 . 1 . 1 66 66 PRO CA C 13 64.643 0.000 . 1 . . . . . 596 PRO CA . 52040 1 287 . 1 . 1 66 66 PRO CB C 13 32.100 0.000 . 1 . . . . . 596 PRO CB . 52040 1 288 . 1 . 1 67 67 THR H H 1 7.189 0.004 . 1 . . . . . 597 THR H . 52040 1 289 . 1 . 1 67 67 THR C C 13 173.569 0.070 . 1 . . . . . 597 THR C . 52040 1 290 . 1 . 1 67 67 THR CA C 13 61.260 0.065 . 1 . . . . . 597 THR CA . 52040 1 291 . 1 . 1 67 67 THR CB C 13 71.595 0.040 . 1 . . . . . 597 THR CB . 52040 1 292 . 1 . 1 67 67 THR N N 15 112.150 0.044 . 1 . . . . . 597 THR N . 52040 1 293 . 1 . 1 68 68 MET H H 1 9.275 0.004 . 1 . . . . . 598 MET H . 52040 1 294 . 1 . 1 68 68 MET C C 13 173.673 0.000 . 1 . . . . . 598 MET C . 52040 1 295 . 1 . 1 68 68 MET CA C 13 55.499 0.038 . 1 . . . . . 598 MET CA . 52040 1 296 . 1 . 1 68 68 MET CB C 13 34.378 0.051 . 1 . . . . . 598 MET CB . 52040 1 297 . 1 . 1 68 68 MET N N 15 125.800 0.037 . 1 . . . . . 598 MET N . 52040 1 298 . 1 . 1 69 69 GLN H H 1 8.599 0.003 . 1 . . . . . 599 GLN H . 52040 1 299 . 1 . 1 69 69 GLN C C 13 175.277 0.012 . 1 . . . . . 599 GLN C . 52040 1 300 . 1 . 1 69 69 GLN CA C 13 53.557 0.013 . 1 . . . . . 599 GLN CA . 52040 1 301 . 1 . 1 69 69 GLN CB C 13 30.451 0.011 . 1 . . . . . 599 GLN CB . 52040 1 302 . 1 . 1 69 69 GLN N N 15 123.225 0.036 . 1 . . . . . 599 GLN N . 52040 1 303 . 1 . 1 70 70 ILE H H 1 8.704 0.004 . 1 . . . . . 600 ILE H . 52040 1 304 . 1 . 1 70 70 ILE C C 13 177.174 0.001 . 1 . . . . . 600 ILE C . 52040 1 305 . 1 . 1 70 70 ILE CA C 13 63.095 0.060 . 1 . . . . . 600 ILE CA . 52040 1 306 . 1 . 1 70 70 ILE CB C 13 39.232 0.019 . 1 . . . . . 600 ILE CB . 52040 1 307 . 1 . 1 70 70 ILE N N 15 126.515 0.047 . 1 . . . . . 600 ILE N . 52040 1 308 . 1 . 1 71 71 VAL H H 1 9.189 0.004 . 1 . . . . . 601 VAL H . 52040 1 309 . 1 . 1 71 71 VAL C C 13 175.820 0.007 . 1 . . . . . 601 VAL C . 52040 1 310 . 1 . 1 71 71 VAL CA C 13 63.049 0.085 . 1 . . . . . 601 VAL CA . 52040 1 311 . 1 . 1 71 71 VAL CB C 13 33.236 0.027 . 1 . . . . . 601 VAL CB . 52040 1 312 . 1 . 1 71 71 VAL N N 15 125.175 0.036 . 1 . . . . . 601 VAL N . 52040 1 313 . 1 . 1 72 72 ARG H H 1 7.442 0.003 . 1 . . . . . 602 ARG H . 52040 1 314 . 1 . 1 72 72 ARG C C 13 172.406 0.007 . 1 . . . . . 602 ARG C . 52040 1 315 . 1 . 1 72 72 ARG CA C 13 55.103 0.012 . 1 . . . . . 602 ARG CA . 52040 1 316 . 1 . 1 72 72 ARG CB C 13 32.781 0.061 . 1 . . . . . 602 ARG CB . 52040 1 317 . 1 . 1 72 72 ARG N N 15 116.026 0.039 . 1 . . . . . 602 ARG N . 52040 1 318 . 1 . 1 73 73 LEU H H 1 8.562 0.005 . 1 . . . . . 603 LEU H . 52040 1 319 . 1 . 1 73 73 LEU C C 13 176.767 0.007 . 1 . . . . . 603 LEU C . 52040 1 320 . 1 . 1 73 73 LEU CA C 13 53.556 0.043 . 1 . . . . . 603 LEU CA . 52040 1 321 . 1 . 1 73 73 LEU CB C 13 43.579 0.005 . 1 . . . . . 603 LEU CB . 52040 1 322 . 1 . 1 73 73 LEU N N 15 121.013 0.045 . 1 . . . . . 603 LEU N . 52040 1 323 . 1 . 1 74 74 ILE H H 1 8.843 0.004 . 1 . . . . . 604 ILE H . 52040 1 324 . 1 . 1 74 74 ILE C C 13 174.708 0.011 . 1 . . . . . 604 ILE C . 52040 1 325 . 1 . 1 74 74 ILE CA C 13 59.309 0.091 . 1 . . . . . 604 ILE CA . 52040 1 326 . 1 . 1 74 74 ILE CB C 13 42.768 0.049 . 1 . . . . . 604 ILE CB . 52040 1 327 . 1 . 1 74 74 ILE N N 15 116.202 0.038 . 1 . . . . . 604 ILE N . 52040 1 328 . 1 . 1 75 75 SER H H 1 8.904 0.003 . 1 . . . . . 605 SER H . 52040 1 329 . 1 . 1 75 75 SER C C 13 176.917 0.054 . 1 . . . . . 605 SER C . 52040 1 330 . 1 . 1 75 75 SER CA C 13 59.375 0.000 . 1 . . . . . 605 SER CA . 52040 1 331 . 1 . 1 75 75 SER CB C 13 63.545 0.039 . 1 . . . . . 605 SER CB . 52040 1 332 . 1 . 1 75 75 SER N N 15 115.850 0.038 . 1 . . . . . 605 SER N . 52040 1 333 . 1 . 1 76 76 GLN H H 1 8.771 0.004 . 1 . . . . . 606 GLN H . 52040 1 334 . 1 . 1 76 76 GLN CA C 13 58.995 0.000 . 1 . . . . . 606 GLN CA . 52040 1 335 . 1 . 1 76 76 GLN CB C 13 28.277 0.000 . 1 . . . . . 606 GLN CB . 52040 1 336 . 1 . 1 76 76 GLN N N 15 124.986 0.034 . 1 . . . . . 606 GLN N . 52040 1 337 . 1 . 1 77 77 ASP H H 1 8.472 0.003 . 1 . . . . . 607 ASP H . 52040 1 338 . 1 . 1 77 77 ASP C C 13 178.569 0.010 . 1 . . . . . 607 ASP C . 52040 1 339 . 1 . 1 77 77 ASP CA C 13 56.636 0.024 . 1 . . . . . 607 ASP CA . 52040 1 340 . 1 . 1 77 77 ASP CB C 13 39.979 0.057 . 1 . . . . . 607 ASP CB . 52040 1 341 . 1 . 1 77 77 ASP N N 15 120.102 0.039 . 1 . . . . . 607 ASP N . 52040 1 342 . 1 . 1 78 78 HIS H H 1 7.779 0.004 . 1 . . . . . 608 HIS H . 52040 1 343 . 1 . 1 78 78 HIS C C 13 176.886 0.007 . 1 . . . . . 608 HIS C . 52040 1 344 . 1 . 1 78 78 HIS CA C 13 59.802 0.020 . 1 . . . . . 608 HIS CA . 52040 1 345 . 1 . 1 78 78 HIS CB C 13 30.529 0.027 . 1 . . . . . 608 HIS CB . 52040 1 346 . 1 . 1 78 78 HIS N N 15 118.384 0.034 . 1 . . . . . 608 HIS N . 52040 1 347 . 1 . 1 79 79 MET H H 1 7.873 0.003 . 1 . . . . . 609 MET H . 52040 1 348 . 1 . 1 79 79 MET C C 13 175.813 0.005 . 1 . . . . . 609 MET C . 52040 1 349 . 1 . 1 79 79 MET CA C 13 57.639 0.035 . 1 . . . . . 609 MET CA . 52040 1 350 . 1 . 1 79 79 MET CB C 13 32.963 0.046 . 1 . . . . . 609 MET CB . 52040 1 351 . 1 . 1 79 79 MET N N 15 114.916 0.043 . 1 . . . . . 609 MET N . 52040 1 352 . 1 . 1 80 80 ASN H H 1 7.548 0.003 . 1 . . . . . 610 ASN H . 52040 1 353 . 1 . 1 80 80 ASN C C 13 174.970 0.002 . 1 . . . . . 610 ASN C . 52040 1 354 . 1 . 1 80 80 ASN CA C 13 52.793 0.026 . 1 . . . . . 610 ASN CA . 52040 1 355 . 1 . 1 80 80 ASN CB C 13 39.158 0.004 . 1 . . . . . 610 ASN CB . 52040 1 356 . 1 . 1 80 80 ASN N N 15 114.934 0.013 . 1 . . . . . 610 ASN N . 52040 1 357 . 1 . 1 81 81 ASN H H 1 7.518 0.004 . 1 . . . . . 611 ASN H . 52040 1 358 . 1 . 1 81 81 ASN C C 13 176.937 0.002 . 1 . . . . . 611 ASN C . 52040 1 359 . 1 . 1 81 81 ASN CA C 13 54.237 0.071 . 1 . . . . . 611 ASN CA . 52040 1 360 . 1 . 1 81 81 ASN CB C 13 38.765 0.031 . 1 . . . . . 611 ASN CB . 52040 1 361 . 1 . 1 81 81 ASN N N 15 119.383 0.041 . 1 . . . . . 611 ASN N . 52040 1 362 . 1 . 1 82 82 LYS H H 1 8.856 0.004 . 1 . . . . . 612 LYS H . 52040 1 363 . 1 . 1 82 82 LYS C C 13 177.878 0.004 . 1 . . . . . 612 LYS C . 52040 1 364 . 1 . 1 82 82 LYS CA C 13 58.347 0.046 . 1 . . . . . 612 LYS CA . 52040 1 365 . 1 . 1 82 82 LYS CB C 13 32.293 0.000 . 1 . . . . . 612 LYS CB . 52040 1 366 . 1 . 1 82 82 LYS N N 15 126.360 0.038 . 1 . . . . . 612 LYS N . 52040 1 367 . 1 . 1 83 83 GLN H H 1 8.443 0.005 . 1 . . . . . 613 GLN H . 52040 1 368 . 1 . 1 83 83 GLN CA C 13 57.675 0.066 . 1 . . . . . 613 GLN CA . 52040 1 369 . 1 . 1 83 83 GLN CB C 13 28.497 0.057 . 1 . . . . . 613 GLN CB . 52040 1 370 . 1 . 1 83 83 GLN N N 15 118.130 0.033 . 1 . . . . . 613 GLN N . 52040 1 371 . 1 . 1 84 84 TYR H H 1 7.525 0.004 . 1 . . . . . 614 TYR H . 52040 1 372 . 1 . 1 84 84 TYR C C 13 176.777 0.051 . 1 . . . . . 614 TYR C . 52040 1 373 . 1 . 1 84 84 TYR CA C 13 56.792 0.094 . 1 . . . . . 614 TYR CA . 52040 1 374 . 1 . 1 84 84 TYR CB C 13 38.608 0.004 . 1 . . . . . 614 TYR CB . 52040 1 375 . 1 . 1 84 84 TYR N N 15 116.285 0.040 . 1 . . . . . 614 TYR N . 52040 1 376 . 1 . 1 85 85 VAL H H 1 7.699 0.004 . 1 . . . . . 615 VAL H . 52040 1 377 . 1 . 1 85 85 VAL C C 13 177.331 0.001 . 1 . . . . . 615 VAL C . 52040 1 378 . 1 . 1 85 85 VAL CA C 13 65.289 0.036 . 1 . . . . . 615 VAL CA . 52040 1 379 . 1 . 1 85 85 VAL CB C 13 31.924 0.024 . 1 . . . . . 615 VAL CB . 52040 1 380 . 1 . 1 85 85 VAL N N 15 120.556 0.041 . 1 . . . . . 615 VAL N . 52040 1 381 . 1 . 1 86 86 GLY H H 1 8.519 0.003 . 1 . . . . . 616 GLY H . 52040 1 382 . 1 . 1 86 86 GLY C C 13 174.283 0.011 . 1 . . . . . 616 GLY C . 52040 1 383 . 1 . 1 86 86 GLY CA C 13 45.873 0.096 . 1 . . . . . 616 GLY CA . 52040 1 384 . 1 . 1 86 86 GLY N N 15 111.551 0.039 . 1 . . . . . 616 GLY N . 52040 1 385 . 1 . 1 87 87 LYS H H 1 7.905 0.003 . 1 . . . . . 617 LYS H . 52040 1 386 . 1 . 1 87 87 LYS C C 13 175.181 0.011 . 1 . . . . . 617 LYS C . 52040 1 387 . 1 . 1 87 87 LYS CA C 13 55.629 0.052 . 1 . . . . . 617 LYS CA . 52040 1 388 . 1 . 1 87 87 LYS CB C 13 33.991 0.007 . 1 . . . . . 617 LYS CB . 52040 1 389 . 1 . 1 87 87 LYS N N 15 118.416 0.035 . 1 . . . . . 617 LYS N . 52040 1 390 . 1 . 1 88 88 ALA H H 1 7.580 0.006 . 1 . . . . . 618 ALA H . 52040 1 391 . 1 . 1 88 88 ALA C C 13 177.167 0.004 . 1 . . . . . 618 ALA C . 52040 1 392 . 1 . 1 88 88 ALA CA C 13 50.860 0.021 . 1 . . . . . 618 ALA CA . 52040 1 393 . 1 . 1 88 88 ALA CB C 13 21.226 0.011 . 1 . . . . . 618 ALA CB . 52040 1 394 . 1 . 1 88 88 ALA N N 15 120.893 0.035 . 1 . . . . . 618 ALA N . 52040 1 395 . 1 . 1 89 89 ASP H H 1 8.280 0.004 . 1 . . . . . 619 ASP H . 52040 1 396 . 1 . 1 89 89 ASP C C 13 174.727 0.012 . 1 . . . . . 619 ASP C . 52040 1 397 . 1 . 1 89 89 ASP CA C 13 54.379 0.021 . 1 . . . . . 619 ASP CA . 52040 1 398 . 1 . 1 89 89 ASP CB C 13 44.708 0.001 . 1 . . . . . 619 ASP CB . 52040 1 399 . 1 . 1 89 89 ASP N N 15 118.441 0.041 . 1 . . . . . 619 ASP N . 52040 1 400 . 1 . 1 90 90 PHE H H 1 8.939 0.003 . 1 . . . . . 620 PHE H . 52040 1 401 . 1 . 1 90 90 PHE C C 13 175.769 0.009 . 1 . . . . . 620 PHE C . 52040 1 402 . 1 . 1 90 90 PHE CA C 13 57.936 0.033 . 1 . . . . . 620 PHE CA . 52040 1 403 . 1 . 1 90 90 PHE CB C 13 40.318 0.024 . 1 . . . . . 620 PHE CB . 52040 1 404 . 1 . 1 90 90 PHE N N 15 121.008 0.041 . 1 . . . . . 620 PHE N . 52040 1 405 . 1 . 1 91 91 LEU H H 1 9.506 0.003 . 1 . . . . . 621 LEU H . 52040 1 406 . 1 . 1 91 91 LEU C C 13 176.368 0.012 . 1 . . . . . 621 LEU C . 52040 1 407 . 1 . 1 91 91 LEU CA C 13 54.514 0.029 . 1 . . . . . 621 LEU CA . 52040 1 408 . 1 . 1 91 91 LEU CB C 13 47.426 0.035 . 1 . . . . . 621 LEU CB . 52040 1 409 . 1 . 1 91 91 LEU N N 15 126.446 0.033 . 1 . . . . . 621 LEU N . 52040 1 410 . 1 . 1 92 92 VAL H H 1 8.182 0.004 . 1 . . . . . 622 VAL H . 52040 1 411 . 1 . 1 92 92 VAL C C 13 174.417 0.004 . 1 . . . . . 622 VAL C . 52040 1 412 . 1 . 1 92 92 VAL CA C 13 61.102 0.033 . 1 . . . . . 622 VAL CA . 52040 1 413 . 1 . 1 92 92 VAL CB C 13 35.240 0.036 . 1 . . . . . 622 VAL CB . 52040 1 414 . 1 . 1 92 92 VAL N N 15 119.280 0.037 . 1 . . . . . 622 VAL N . 52040 1 415 . 1 . 1 93 93 PHE H H 1 9.311 0.005 . 1 . . . . . 623 PHE H . 52040 1 416 . 1 . 1 93 93 PHE C C 13 174.991 0.001 . 1 . . . . . 623 PHE C . 52040 1 417 . 1 . 1 93 93 PHE CA C 13 55.183 0.021 . 1 . . . . . 623 PHE CA . 52040 1 418 . 1 . 1 93 93 PHE CB C 13 43.384 0.033 . 1 . . . . . 623 PHE CB . 52040 1 419 . 1 . 1 93 93 PHE N N 15 123.022 0.038 . 1 . . . . . 623 PHE N . 52040 1 420 . 1 . 1 94 94 ARG H H 1 9.560 0.003 . 1 . . . . . 624 ARG H . 52040 1 421 . 1 . 1 94 94 ARG C C 13 175.414 0.010 . 1 . . . . . 624 ARG C . 52040 1 422 . 1 . 1 94 94 ARG CA C 13 54.849 0.066 . 1 . . . . . 624 ARG CA . 52040 1 423 . 1 . 1 94 94 ARG CB C 13 33.689 0.006 . 1 . . . . . 624 ARG CB . 52040 1 424 . 1 . 1 94 94 ARG N N 15 122.161 0.046 . 1 . . . . . 624 ARG N . 52040 1 425 . 1 . 1 95 95 ALA H H 1 8.916 0.005 . 1 . . . . . 625 ALA H . 52040 1 426 . 1 . 1 95 95 ALA C C 13 177.476 0.003 . 1 . . . . . 625 ALA C . 52040 1 427 . 1 . 1 95 95 ALA CA C 13 51.043 0.002 . 1 . . . . . 625 ALA CA . 52040 1 428 . 1 . 1 95 95 ALA CB C 13 19.985 0.013 . 1 . . . . . 625 ALA CB . 52040 1 429 . 1 . 1 95 95 ALA N N 15 128.274 0.034 . 1 . . . . . 625 ALA N . 52040 1 430 . 1 . 1 96 96 MET H H 1 8.666 0.003 . 1 . . . . . 626 MET H . 52040 1 431 . 1 . 1 96 96 MET C C 13 176.007 0.006 . 1 . . . . . 626 MET C . 52040 1 432 . 1 . 1 96 96 MET CA C 13 56.744 0.045 . 1 . . . . . 626 MET CA . 52040 1 433 . 1 . 1 96 96 MET CB C 13 32.544 0.071 . 1 . . . . . 626 MET CB . 52040 1 434 . 1 . 1 96 96 MET N N 15 120.776 0.035 . 1 . . . . . 626 MET N . 52040 1 435 . 1 . 1 97 97 SER H H 1 7.843 0.004 . 1 . . . . . 627 SER H . 52040 1 436 . 1 . 1 97 97 SER C C 13 172.800 0.000 . 1 . . . . . 627 SER C . 52040 1 437 . 1 . 1 97 97 SER CA C 13 57.616 0.000 . 1 . . . . . 627 SER CA . 52040 1 438 . 1 . 1 97 97 SER CB C 13 65.059 0.000 . 1 . . . . . 627 SER CB . 52040 1 439 . 1 . 1 97 97 SER N N 15 111.980 0.042 . 1 . . . . . 627 SER N . 52040 1 440 . 1 . 1 98 98 GLN H H 1 8.537 0.003 . 1 . . . . . 628 GLN H . 52040 1 441 . 1 . 1 98 98 GLN C C 13 175.556 0.015 . 1 . . . . . 628 GLN C . 52040 1 442 . 1 . 1 98 98 GLN CA C 13 55.475 0.042 . 1 . . . . . 628 GLN CA . 52040 1 443 . 1 . 1 98 98 GLN CB C 13 29.118 0.003 . 1 . . . . . 628 GLN CB . 52040 1 444 . 1 . 1 98 98 GLN N N 15 121.239 0.036 . 1 . . . . . 628 GLN N . 52040 1 445 . 1 . 1 99 99 HIS H H 1 8.028 0.003 . 1 . . . . . 629 HIS H . 52040 1 446 . 1 . 1 99 99 HIS C C 13 176.805 0.000 . 1 . . . . . 629 HIS C . 52040 1 447 . 1 . 1 99 99 HIS CA C 13 58.118 0.000 . 1 . . . . . 629 HIS CA . 52040 1 448 . 1 . 1 99 99 HIS CB C 13 34.750 0.000 . 1 . . . . . 629 HIS CB . 52040 1 449 . 1 . 1 99 99 HIS N N 15 122.581 0.043 . 1 . . . . . 629 HIS N . 52040 1 450 . 1 . 1 101 101 PHE C C 13 178.110 0.000 . 1 . . . . . 631 PHE C . 52040 1 451 . 1 . 1 101 101 PHE CA C 13 61.523 0.002 . 1 . . . . . 631 PHE CA . 52040 1 452 . 1 . 1 102 102 LEU H H 1 7.678 0.005 . 1 . . . . . 632 LEU H . 52040 1 453 . 1 . 1 102 102 LEU C C 13 179.207 0.018 . 1 . . . . . 632 LEU C . 52040 1 454 . 1 . 1 102 102 LEU CA C 13 57.814 0.075 . 1 . . . . . 632 LEU CA . 52040 1 455 . 1 . 1 102 102 LEU CB C 13 40.270 0.033 . 1 . . . . . 632 LEU CB . 52040 1 456 . 1 . 1 102 102 LEU N N 15 115.472 0.037 . 1 . . . . . 632 LEU N . 52040 1 457 . 1 . 1 103 103 GLY H H 1 7.544 0.004 . 1 . . . . . 633 GLY H . 52040 1 458 . 1 . 1 103 103 GLY C C 13 175.996 0.015 . 1 . . . . . 633 GLY C . 52040 1 459 . 1 . 1 103 103 GLY CA C 13 47.440 0.011 . 1 . . . . . 633 GLY CA . 52040 1 460 . 1 . 1 103 103 GLY N N 15 106.081 0.033 . 1 . . . . . 633 GLY N . 52040 1 461 . 1 . 1 104 104 GLN H H 1 7.797 0.004 . 1 . . . . . 634 GLN H . 52040 1 462 . 1 . 1 104 104 GLN C C 13 178.093 0.025 . 1 . . . . . 634 GLN C . 52040 1 463 . 1 . 1 104 104 GLN CB C 13 28.260 0.033 . 1 . . . . . 634 GLN CB . 52040 1 464 . 1 . 1 104 104 GLN N N 15 121.315 0.055 . 1 . . . . . 634 GLN N . 52040 1 465 . 1 . 1 105 105 LEU H H 1 7.609 0.005 . 1 . . . . . 635 LEU H . 52040 1 466 . 1 . 1 105 105 LEU CA C 13 59.008 0.169 . 1 . . . . . 635 LEU CA . 52040 1 467 . 1 . 1 105 105 LEU CB C 13 40.605 0.031 . 1 . . . . . 635 LEU CB . 52040 1 468 . 1 . 1 105 105 LEU N N 15 118.484 0.052 . 1 . . . . . 635 LEU N . 52040 1 469 . 1 . 1 106 106 GLN H H 1 7.482 0.004 . 1 . . . . . 636 GLN H . 52040 1 470 . 1 . 1 106 106 GLN C C 13 179.396 0.014 . 1 . . . . . 636 GLN C . 52040 1 471 . 1 . 1 106 106 GLN CA C 13 58.696 0.083 . 1 . . . . . 636 GLN CA . 52040 1 472 . 1 . 1 106 106 GLN CB C 13 29.504 0.047 . 1 . . . . . 636 GLN CB . 52040 1 473 . 1 . 1 106 106 GLN N N 15 116.417 0.040 . 1 . . . . . 636 GLN N . 52040 1 474 . 1 . 1 107 107 ASP H H 1 8.662 0.004 . 1 . . . . . 637 ASP H . 52040 1 475 . 1 . 1 107 107 ASP C C 13 178.207 0.015 . 1 . . . . . 637 ASP C . 52040 1 476 . 1 . 1 107 107 ASP CA C 13 57.647 0.043 . 1 . . . . . 637 ASP CA . 52040 1 477 . 1 . 1 107 107 ASP CB C 13 41.465 0.011 . 1 . . . . . 637 ASP CB . 52040 1 478 . 1 . 1 107 107 ASP N N 15 120.258 0.039 . 1 . . . . . 637 ASP N . 52040 1 479 . 1 . 1 108 108 LYS H H 1 8.049 0.003 . 1 . . . . . 638 LYS H . 52040 1 480 . 1 . 1 108 108 LYS C C 13 175.082 0.004 . 1 . . . . . 638 LYS C . 52040 1 481 . 1 . 1 108 108 LYS CA C 13 55.746 0.062 . 1 . . . . . 638 LYS CA . 52040 1 482 . 1 . 1 108 108 LYS CB C 13 32.636 0.021 . 1 . . . . . 638 LYS CB . 52040 1 483 . 1 . 1 108 108 LYS N N 15 114.983 0.042 . 1 . . . . . 638 LYS N . 52040 1 484 . 1 . 1 109 109 LYS H H 1 7.736 0.004 . 1 . . . . . 639 LYS H . 52040 1 485 . 1 . 1 109 109 LYS C C 13 176.131 0.006 . 1 . . . . . 639 LYS C . 52040 1 486 . 1 . 1 109 109 LYS CA C 13 57.201 0.055 . 1 . . . . . 639 LYS CA . 52040 1 487 . 1 . 1 109 109 LYS CB C 13 28.844 0.018 . 1 . . . . . 639 LYS CB . 52040 1 488 . 1 . 1 109 109 LYS N N 15 117.448 0.038 . 1 . . . . . 639 LYS N . 52040 1 489 . 1 . 1 110 110 LEU H H 1 8.386 0.003 . 1 . . . . . 640 LEU H . 52040 1 490 . 1 . 1 110 110 LEU C C 13 175.602 0.006 . 1 . . . . . 640 LEU C . 52040 1 491 . 1 . 1 110 110 LEU CA C 13 53.359 0.060 . 1 . . . . . 640 LEU CA . 52040 1 492 . 1 . 1 110 110 LEU CB C 13 46.369 0.009 . 1 . . . . . 640 LEU CB . 52040 1 493 . 1 . 1 110 110 LEU N N 15 119.788 0.036 . 1 . . . . . 640 LEU N . 52040 1 494 . 1 . 1 111 111 CYS H H 1 9.513 0.003 . 1 . . . . . 641 CYS H . 52040 1 495 . 1 . 1 111 111 CYS C C 13 172.389 0.006 . 1 . . . . . 641 CYS C . 52040 1 496 . 1 . 1 111 111 CYS CA C 13 55.491 0.019 . 1 . . . . . 641 CYS CA . 52040 1 497 . 1 . 1 111 111 CYS CB C 13 31.371 0.019 . 1 . . . . . 641 CYS CB . 52040 1 498 . 1 . 1 111 111 CYS N N 15 116.096 0.044 . 1 . . . . . 641 CYS N . 52040 1 499 . 1 . 1 112 112 ALA H H 1 9.245 0.004 . 1 . . . . . 642 ALA H . 52040 1 500 . 1 . 1 112 112 ALA C C 13 175.467 0.006 . 1 . . . . . 642 ALA C . 52040 1 501 . 1 . 1 112 112 ALA CA C 13 50.468 0.087 . 1 . . . . . 642 ALA CA . 52040 1 502 . 1 . 1 112 112 ALA CB C 13 20.791 0.008 . 1 . . . . . 642 ALA CB . 52040 1 503 . 1 . 1 112 112 ALA N N 15 124.486 0.039 . 1 . . . . . 642 ALA N . 52040 1 504 . 1 . 1 113 113 VAL H H 1 8.599 0.005 . 1 . . . . . 643 VAL H . 52040 1 505 . 1 . 1 113 113 VAL C C 13 174.344 0.008 . 1 . . . . . 643 VAL C . 52040 1 506 . 1 . 1 113 113 VAL CA C 13 62.290 0.015 . 1 . . . . . 643 VAL CA . 52040 1 507 . 1 . 1 113 113 VAL CB C 13 32.627 0.040 . 1 . . . . . 643 VAL CB . 52040 1 508 . 1 . 1 113 113 VAL N N 15 121.195 0.039 . 1 . . . . . 643 VAL N . 52040 1 509 . 1 . 1 114 114 ILE H H 1 9.359 0.005 . 1 . . . . . 644 ILE H . 52040 1 510 . 1 . 1 114 114 ILE C C 13 174.805 0.006 . 1 . . . . . 644 ILE C . 52040 1 511 . 1 . 1 114 114 ILE CA C 13 60.461 0.020 . 1 . . . . . 644 ILE CA . 52040 1 512 . 1 . 1 114 114 ILE CB C 13 40.919 0.024 . 1 . . . . . 644 ILE CB . 52040 1 513 . 1 . 1 114 114 ILE N N 15 129.717 0.033 . 1 . . . . . 644 ILE N . 52040 1 514 . 1 . 1 115 115 GLN H H 1 8.357 0.004 . 1 . . . . . 645 GLN H . 52040 1 515 . 1 . 1 115 115 GLN CA C 13 55.430 0.000 . 1 . . . . . 645 GLN CA . 52040 1 516 . 1 . 1 115 115 GLN CB C 13 29.413 0.000 . 1 . . . . . 645 GLN CB . 52040 1 517 . 1 . 1 115 115 GLN N N 15 126.881 0.041 . 1 . . . . . 645 GLN N . 52040 1 518 . 1 . 1 116 116 LEU H H 1 8.035 0.004 . 1 . . . . . 646 LEU H . 52040 1 519 . 1 . 1 116 116 LEU C C 13 174.612 0.000 . 1 . . . . . 646 LEU C . 52040 1 520 . 1 . 1 116 116 LEU CA C 13 53.320 0.000 . 1 . . . . . 646 LEU CA . 52040 1 521 . 1 . 1 116 116 LEU CB C 13 41.224 0.000 . 1 . . . . . 646 LEU CB . 52040 1 522 . 1 . 1 116 116 LEU N N 15 128.943 0.034 . 1 . . . . . 646 LEU N . 52040 1 523 . 1 . 1 117 117 PRO C C 13 177.721 0.000 . 1 . . . . . 647 PRO C . 52040 1 524 . 1 . 1 117 117 PRO CA C 13 66.674 0.047 . 1 . . . . . 647 PRO CA . 52040 1 525 . 1 . 1 117 117 PRO CB C 13 31.509 0.018 . 1 . . . . . 647 PRO CB . 52040 1 526 . 1 . 1 118 118 SER H H 1 9.369 0.004 . 1 . . . . . 648 SER H . 52040 1 527 . 1 . 1 118 118 SER C C 13 174.440 0.045 . 1 . . . . . 648 SER C . 52040 1 528 . 1 . 1 118 118 SER CA C 13 57.938 0.038 . 1 . . . . . 648 SER CA . 52040 1 529 . 1 . 1 118 118 SER CB C 13 63.690 0.029 . 1 . . . . . 648 SER CB . 52040 1 530 . 1 . 1 118 118 SER N N 15 113.087 0.041 . 1 . . . . . 648 SER N . 52040 1 531 . 1 . 1 119 119 GLN H H 1 7.300 0.004 . 1 . . . . . 649 GLN H . 52040 1 532 . 1 . 1 119 119 GLN C C 13 174.493 0.006 . 1 . . . . . 649 GLN C . 52040 1 533 . 1 . 1 119 119 GLN CA C 13 55.058 0.003 . 1 . . . . . 649 GLN CA . 52040 1 534 . 1 . 1 119 119 GLN CB C 13 35.996 0.041 . 1 . . . . . 649 GLN CB . 52040 1 535 . 1 . 1 119 119 GLN N N 15 119.374 0.037 . 1 . . . . . 649 GLN N . 52040 1 536 . 1 . 1 120 120 THR H H 1 8.922 0.004 . 1 . . . . . 650 THR H . 52040 1 537 . 1 . 1 120 120 THR C C 13 171.186 0.011 . 1 . . . . . 650 THR C . 52040 1 538 . 1 . 1 120 120 THR CA C 13 62.961 0.100 . 1 . . . . . 650 THR CA . 52040 1 539 . 1 . 1 120 120 THR CB C 13 71.109 0.067 . 1 . . . . . 650 THR CB . 52040 1 540 . 1 . 1 120 120 THR N N 15 116.688 0.042 . 1 . . . . . 650 THR N . 52040 1 541 . 1 . 1 121 121 LEU H H 1 8.910 0.004 . 1 . . . . . 651 LEU H . 52040 1 542 . 1 . 1 121 121 LEU C C 13 173.408 0.016 . 1 . . . . . 651 LEU C . 52040 1 543 . 1 . 1 121 121 LEU CA C 13 52.867 0.040 . 1 . . . . . 651 LEU CA . 52040 1 544 . 1 . 1 121 121 LEU CB C 13 45.664 0.030 . 1 . . . . . 651 LEU CB . 52040 1 545 . 1 . 1 121 121 LEU N N 15 129.138 0.038 . 1 . . . . . 651 LEU N . 52040 1 546 . 1 . 1 122 122 LEU H H 1 8.977 0.005 . 1 . . . . . 652 LEU H . 52040 1 547 . 1 . 1 122 122 LEU C C 13 176.283 0.002 . 1 . . . . . 652 LEU C . 52040 1 548 . 1 . 1 122 122 LEU CA C 13 53.214 0.017 . 1 . . . . . 652 LEU CA . 52040 1 549 . 1 . 1 122 122 LEU CB C 13 43.540 0.009 . 1 . . . . . 652 LEU CB . 52040 1 550 . 1 . 1 122 122 LEU N N 15 126.404 0.038 . 1 . . . . . 652 LEU N . 52040 1 551 . 1 . 1 123 123 LEU H H 1 9.090 0.004 . 1 . . . . . 653 LEU H . 52040 1 552 . 1 . 1 123 123 LEU C C 13 175.243 0.012 . 1 . . . . . 653 LEU C . 52040 1 553 . 1 . 1 123 123 LEU CA C 13 53.403 0.018 . 1 . . . . . 653 LEU CA . 52040 1 554 . 1 . 1 123 123 LEU CB C 13 46.807 0.021 . 1 . . . . . 653 LEU CB . 52040 1 555 . 1 . 1 123 123 LEU N N 15 123.578 0.043 . 1 . . . . . 653 LEU N . 52040 1 556 . 1 . 1 124 124 SER H H 1 9.253 0.003 . 1 . . . . . 654 SER H . 52040 1 557 . 1 . 1 124 124 SER C C 13 173.226 0.009 . 1 . . . . . 654 SER C . 52040 1 558 . 1 . 1 124 124 SER CA C 13 56.452 0.060 . 1 . . . . . 654 SER CA . 52040 1 559 . 1 . 1 124 124 SER CB C 13 66.622 0.026 . 1 . . . . . 654 SER CB . 52040 1 560 . 1 . 1 124 124 SER N N 15 118.611 0.039 . 1 . . . . . 654 SER N . 52040 1 561 . 1 . 1 125 125 VAL H H 1 9.075 0.003 . 1 . . . . . 655 VAL H . 52040 1 562 . 1 . 1 125 125 VAL C C 13 176.148 0.002 . 1 . . . . . 655 VAL C . 52040 1 563 . 1 . 1 125 125 VAL CA C 13 63.285 0.065 . 1 . . . . . 655 VAL CA . 52040 1 564 . 1 . 1 125 125 VAL CB C 13 32.596 0.040 . 1 . . . . . 655 VAL CB . 52040 1 565 . 1 . 1 125 125 VAL N N 15 121.909 0.041 . 1 . . . . . 655 VAL N . 52040 1 566 . 1 . 1 126 126 SER H H 1 8.492 0.003 . 1 . . . . . 656 SER H . 52040 1 567 . 1 . 1 126 126 SER C C 13 172.946 0.006 . 1 . . . . . 656 SER C . 52040 1 568 . 1 . 1 126 126 SER CA C 13 57.999 0.044 . 1 . . . . . 656 SER CA . 52040 1 569 . 1 . 1 126 126 SER CB C 13 65.144 0.036 . 1 . . . . . 656 SER CB . 52040 1 570 . 1 . 1 126 126 SER N N 15 122.069 0.041 . 1 . . . . . 656 SER N . 52040 1 571 . 1 . 1 127 127 ASP H H 1 8.554 0.003 . 1 . . . . . 657 ASP H . 52040 1 572 . 1 . 1 127 127 ASP C C 13 175.968 0.059 . 1 . . . . . 657 ASP C . 52040 1 573 . 1 . 1 127 127 ASP CA C 13 55.164 0.020 . 1 . . . . . 657 ASP CA . 52040 1 574 . 1 . 1 127 127 ASP CB C 13 40.576 0.012 . 1 . . . . . 657 ASP CB . 52040 1 575 . 1 . 1 127 127 ASP N N 15 117.912 0.039 . 1 . . . . . 657 ASP N . 52040 1 576 . 1 . 1 128 128 LYS H H 1 8.229 0.005 . 1 . . . . . 658 LYS H . 52040 1 577 . 1 . 1 128 128 LYS C C 13 175.861 0.001 . 1 . . . . . 658 LYS C . 52040 1 578 . 1 . 1 128 128 LYS CA C 13 55.241 0.000 . 1 . . . . . 658 LYS CA . 52040 1 579 . 1 . 1 128 128 LYS CB C 13 33.711 0.016 . 1 . . . . . 658 LYS CB . 52040 1 580 . 1 . 1 128 128 LYS N N 15 120.615 0.042 . 1 . . . . . 658 LYS N . 52040 1 581 . 1 . 1 129 129 ALA H H 1 8.409 0.003 . 1 . . . . . 659 ALA H . 52040 1 582 . 1 . 1 129 129 ALA C C 13 176.892 0.026 . 1 . . . . . 659 ALA C . 52040 1 583 . 1 . 1 129 129 ALA CA C 13 54.006 0.041 . 1 . . . . . 659 ALA CA . 52040 1 584 . 1 . 1 129 129 ALA CB C 13 18.418 0.037 . 1 . . . . . 659 ALA CB . 52040 1 585 . 1 . 1 129 129 ALA N N 15 124.481 0.042 . 1 . . . . . 659 ALA N . 52040 1 586 . 1 . 1 130 130 CYS H H 1 8.407 0.003 . 1 . . . . . 660 CYS H . 52040 1 587 . 1 . 1 130 130 CYS CA C 13 60.116 0.000 . 1 . . . . . 660 CYS CA . 52040 1 588 . 1 . 1 130 130 CYS CB C 13 26.969 0.000 . 1 . . . . . 660 CYS CB . 52040 1 589 . 1 . 1 130 130 CYS N N 15 109.862 0.058 . 1 . . . . . 660 CYS N . 52040 1 590 . 1 . 1 131 131 ARG H H 1 8.214 0.004 . 1 . . . . . 661 ARG H . 52040 1 591 . 1 . 1 131 131 ARG C C 13 174.525 0.008 . 1 . . . . . 661 ARG C . 52040 1 592 . 1 . 1 131 131 ARG CA C 13 55.682 0.035 . 1 . . . . . 661 ARG CA . 52040 1 593 . 1 . 1 131 131 ARG CB C 13 31.704 0.039 . 1 . . . . . 661 ARG CB . 52040 1 594 . 1 . 1 131 131 ARG N N 15 122.004 0.039 . 1 . . . . . 661 ARG N . 52040 1 595 . 1 . 1 132 132 LEU H H 1 9.344 0.004 . 1 . . . . . 662 LEU H . 52040 1 596 . 1 . 1 132 132 LEU C C 13 175.608 0.012 . 1 . . . . . 662 LEU C . 52040 1 597 . 1 . 1 132 132 LEU CA C 13 54.873 0.071 . 1 . . . . . 662 LEU CA . 52040 1 598 . 1 . 1 132 132 LEU CB C 13 44.341 0.023 . 1 . . . . . 662 LEU CB . 52040 1 599 . 1 . 1 132 132 LEU N N 15 126.775 0.043 . 1 . . . . . 662 LEU N . 52040 1 600 . 1 . 1 133 133 ILE H H 1 9.041 0.003 . 1 . . . . . 663 ILE H . 52040 1 601 . 1 . 1 133 133 ILE C C 13 175.217 0.008 . 1 . . . . . 663 ILE C . 52040 1 602 . 1 . 1 133 133 ILE CA C 13 59.464 0.050 . 1 . . . . . 663 ILE CA . 52040 1 603 . 1 . 1 133 133 ILE CB C 13 39.684 0.036 . 1 . . . . . 663 ILE CB . 52040 1 604 . 1 . 1 133 133 ILE N N 15 122.254 0.032 . 1 . . . . . 663 ILE N . 52040 1 605 . 1 . 1 134 134 GLY H H 1 8.984 0.006 . 1 . . . . . 664 GLY H . 52040 1 606 . 1 . 1 134 134 GLY C C 13 171.309 0.003 . 1 . . . . . 664 GLY C . 52040 1 607 . 1 . 1 134 134 GLY CA C 13 44.783 0.014 . 1 . . . . . 664 GLY CA . 52040 1 608 . 1 . 1 134 134 GLY N N 15 111.614 0.060 . 1 . . . . . 664 GLY N . 52040 1 609 . 1 . 1 135 135 MET H H 1 9.173 0.003 . 1 . . . . . 665 MET H . 52040 1 610 . 1 . 1 135 135 MET C C 13 172.499 0.010 . 1 . . . . . 665 MET C . 52040 1 611 . 1 . 1 135 135 MET CA C 13 54.997 0.015 . 1 . . . . . 665 MET CA . 52040 1 612 . 1 . 1 135 135 MET CB C 13 36.329 0.014 . 1 . . . . . 665 MET CB . 52040 1 613 . 1 . 1 135 135 MET N N 15 124.293 0.035 . 1 . . . . . 665 MET N . 52040 1 614 . 1 . 1 136 136 LEU H H 1 8.999 0.004 . 1 . . . . . 666 LEU H . 52040 1 615 . 1 . 1 136 136 LEU C C 13 175.275 0.008 . 1 . . . . . 666 LEU C . 52040 1 616 . 1 . 1 136 136 LEU CA C 13 53.428 0.046 . 1 . . . . . 666 LEU CA . 52040 1 617 . 1 . 1 136 136 LEU CB C 13 46.337 0.025 . 1 . . . . . 666 LEU CB . 52040 1 618 . 1 . 1 136 136 LEU N N 15 128.248 0.033 . 1 . . . . . 666 LEU N . 52040 1 619 . 1 . 1 137 137 PHE H H 1 9.526 0.003 . 1 . . . . . 667 PHE H . 52040 1 620 . 1 . 1 137 137 PHE C C 13 173.264 0.000 . 1 . . . . . 667 PHE C . 52040 1 621 . 1 . 1 137 137 PHE CA C 13 55.047 0.000 . 1 . . . . . 667 PHE CA . 52040 1 622 . 1 . 1 137 137 PHE CB C 13 40.712 0.000 . 1 . . . . . 667 PHE CB . 52040 1 623 . 1 . 1 137 137 PHE N N 15 127.333 0.034 . 1 . . . . . 667 PHE N . 52040 1 624 . 1 . 1 138 138 PRO C C 13 177.546 0.001 . 1 . . . . . 668 PRO C . 52040 1 625 . 1 . 1 138 138 PRO CA C 13 63.239 0.005 . 1 . . . . . 668 PRO CA . 52040 1 626 . 1 . 1 138 138 PRO CB C 13 32.303 0.001 . 1 . . . . . 668 PRO CB . 52040 1 627 . 1 . 1 139 139 GLY H H 1 8.264 0.004 . 1 . . . . . 669 GLY H . 52040 1 628 . 1 . 1 139 139 GLY C C 13 172.892 0.006 . 1 . . . . . 669 GLY C . 52040 1 629 . 1 . 1 139 139 GLY CA C 13 45.806 0.027 . 1 . . . . . 669 GLY CA . 52040 1 630 . 1 . 1 139 139 GLY N N 15 110.210 0.038 . 1 . . . . . 669 GLY N . 52040 1 631 . 1 . 1 140 140 ASP H H 1 8.189 0.004 . 1 . . . . . 670 ASP H . 52040 1 632 . 1 . 1 140 140 ASP C C 13 176.072 0.006 . 1 . . . . . 670 ASP C . 52040 1 633 . 1 . 1 140 140 ASP CA C 13 53.478 0.032 . 1 . . . . . 670 ASP CA . 52040 1 634 . 1 . 1 140 140 ASP CB C 13 41.058 0.041 . 1 . . . . . 670 ASP CB . 52040 1 635 . 1 . 1 140 140 ASP N N 15 118.201 0.039 . 1 . . . . . 670 ASP N . 52040 1 636 . 1 . 1 141 141 MET H H 1 7.926 0.003 . 1 . . . . . 671 MET H . 52040 1 637 . 1 . 1 141 141 MET C C 13 175.668 0.000 . 1 . . . . . 671 MET C . 52040 1 638 . 1 . 1 141 141 MET CA C 13 55.400 0.059 . 1 . . . . . 671 MET CA . 52040 1 639 . 1 . 1 141 141 MET CB C 13 33.117 0.026 . 1 . . . . . 671 MET CB . 52040 1 640 . 1 . 1 141 141 MET N N 15 120.477 0.036 . 1 . . . . . 671 MET N . 52040 1 641 . 1 . 1 142 142 VAL H H 1 8.083 0.003 . 1 . . . . . 672 VAL H . 52040 1 642 . 1 . 1 142 142 VAL C C 13 175.769 0.070 . 1 . . . . . 672 VAL C . 52040 1 643 . 1 . 1 142 142 VAL CA C 13 63.170 0.018 . 1 . . . . . 672 VAL CA . 52040 1 644 . 1 . 1 142 142 VAL CB C 13 32.236 0.000 . 1 . . . . . 672 VAL CB . 52040 1 645 . 1 . 1 142 142 VAL N N 15 122.770 0.037 . 1 . . . . . 672 VAL N . 52040 1 646 . 1 . 1 143 143 VAL H H 1 7.829 0.003 . 1 . . . . . 673 VAL H . 52040 1 647 . 1 . 1 143 143 VAL C C 13 175.250 0.002 . 1 . . . . . 673 VAL C . 52040 1 648 . 1 . 1 143 143 VAL CA C 13 62.347 0.010 . 1 . . . . . 673 VAL CA . 52040 1 649 . 1 . 1 143 143 VAL CB C 13 32.457 0.000 . 1 . . . . . 673 VAL CB . 52040 1 650 . 1 . 1 143 143 VAL N N 15 122.174 0.028 . 1 . . . . . 673 VAL N . 52040 1 651 . 1 . 1 144 144 PHE H H 1 7.862 0.013 . 1 . . . . . 674 PHE H . 52040 1 652 . 1 . 1 144 144 PHE C C 13 174.786 0.012 . 1 . . . . . 674 PHE C . 52040 1 653 . 1 . 1 144 144 PHE CA C 13 56.696 0.032 . 1 . . . . . 674 PHE CA . 52040 1 654 . 1 . 1 144 144 PHE CB C 13 39.586 0.030 . 1 . . . . . 674 PHE CB . 52040 1 655 . 1 . 1 144 144 PHE N N 15 121.971 0.027 . 1 . . . . . 674 PHE N . 52040 1 656 . 1 . 1 145 145 LYS H H 1 8.141 0.002 . 1 . . . . . 675 LYS H . 52040 1 657 . 1 . 1 145 145 LYS C C 13 173.933 0.000 . 1 . . . . . 675 LYS C . 52040 1 658 . 1 . 1 145 145 LYS CA C 13 54.278 0.000 . 1 . . . . . 675 LYS CA . 52040 1 659 . 1 . 1 145 145 LYS CB C 13 32.755 0.000 . 1 . . . . . 675 LYS CB . 52040 1 660 . 1 . 1 145 145 LYS N N 15 123.691 0.028 . 1 . . . . . 675 LYS N . 52040 1 661 . 1 . 1 146 146 PRO C C 13 176.607 0.009 . 1 . . . . . 676 PRO C . 52040 1 662 . 1 . 1 146 146 PRO CA C 13 63.269 0.028 . 1 . . . . . 676 PRO CA . 52040 1 663 . 1 . 1 146 146 PRO CB C 13 32.115 0.008 . 1 . . . . . 676 PRO CB . 52040 1 664 . 1 . 1 147 147 GLN H H 1 8.508 0.003 . 1 . . . . . 677 GLN H . 52040 1 665 . 1 . 1 147 147 GLN C C 13 175.667 0.002 . 1 . . . . . 677 GLN C . 52040 1 666 . 1 . 1 147 147 GLN CA C 13 55.725 0.063 . 1 . . . . . 677 GLN CA . 52040 1 667 . 1 . 1 147 147 GLN CB C 13 29.602 0.030 . 1 . . . . . 677 GLN CB . 52040 1 668 . 1 . 1 147 147 GLN N N 15 121.118 0.034 . 1 . . . . . 677 GLN N . 52040 1 669 . 1 . 1 148 148 ILE H H 1 8.200 0.003 . 1 . . . . . 678 ILE H . 52040 1 670 . 1 . 1 148 148 ILE C C 13 176.249 0.000 . 1 . . . . . 678 ILE C . 52040 1 671 . 1 . 1 148 148 ILE CA C 13 58.687 0.000 . 1 . . . . . 678 ILE CA . 52040 1 672 . 1 . 1 148 148 ILE CB C 13 38.704 0.000 . 1 . . . . . 678 ILE CB . 52040 1 673 . 1 . 1 148 148 ILE N N 15 124.012 0.031 . 1 . . . . . 678 ILE N . 52040 1 674 . 1 . 1 149 149 PRO C C 13 175.864 0.002 . 1 . . . . . 679 PRO C . 52040 1 675 . 1 . 1 149 149 PRO CA C 13 63.699 0.021 . 1 . . . . . 679 PRO CA . 52040 1 676 . 1 . 1 149 149 PRO CB C 13 32.014 0.026 . 1 . . . . . 679 PRO CB . 52040 1 677 . 1 . 1 150 150 ASN H H 1 8.007 0.003 . 1 . . . . . 680 ASN H . 52040 1 678 . 1 . 1 150 150 ASN C C 13 176.230 0.000 . 1 . . . . . 680 ASN C . 52040 1 679 . 1 . 1 150 150 ASN CA C 13 55.019 0.000 . 1 . . . . . 680 ASN CA . 52040 1 680 . 1 . 1 150 150 ASN CB C 13 40.404 0.000 . 1 . . . . . 680 ASN CB . 52040 1 681 . 1 . 1 150 150 ASN N N 15 124.719 0.038 . 1 . . . . . 680 ASN N . 52040 1 stop_ save_