data_27847 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27847 _Entry.Title ; Backbone resonance assignments and secondary structures of Ebola Nucleoprotein 600-739 construct. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-20 _Entry.Accession_date 2019-03-20 _Entry.Last_release_date 2019-03-21 _Entry.Original_release_date 2019-03-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 . _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 Woonghee Lee . . . . 27847 2 Marco Tonelli . . . . 27847 3 Chao Wu . . . . 27847 4 David Aceti . . . . 27847 5 Gaya Amarasinghe . K. . . 27847 6 John Markley . L. . . 27847 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27847 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 27847 '15N chemical shifts' 129 27847 '1H chemical shifts' 129 27847 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 . . 2020-01-13 2019-03-21 update BMRB 'update entry citation' 27847 1 . . 2019-05-22 2019-03-21 original author 'original release' 27847 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27847 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31076990 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments and secondary structure of Ebola nucleoprotein 600-739 construct ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 315 _Citation.Page_last 319 _Citation.Year 2019 _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 Woonghee Lee . . . . 27847 1 2 Marco Tonelli . . . . 27847 1 3 Chao Wu . . . . 27847 1 4 David Aceti . . . . 27847 1 5 Gaya Amarasinghe . K. . . 27847 1 6 John Markley . L. . . 27847 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27847 _Assembly.ID 1 _Assembly.Name eNP-CTD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 eNP-CTD 1 $eNP-CTD A . yes native no no . . . 27847 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eNP-CTD _Entity.Sf_category entity _Entity.Sf_framecode eNP-CTD _Entity.Entry_ID 27847 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eNP-CTD _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 ; RTPTVAPPAPVYRDHSEKKE LPQDEQQDQDHTQEARNQDS DNTQSEHSFEEMYRHILRSQ GPFDAVLYYHMMKDEPVVFS TSDGKEYTYPDSLEEEYPPW LTEKEAMNEENRFVTLDGQQ FYWPVMNHKNKFMAILQHHQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _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_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 1 600 ARG . 27847 1 2 601 THR . 27847 1 3 602 PRO . 27847 1 4 603 THR . 27847 1 5 604 VAL . 27847 1 6 605 ALA . 27847 1 7 606 PRO . 27847 1 8 607 PRO . 27847 1 9 608 ALA . 27847 1 10 609 PRO . 27847 1 11 610 VAL . 27847 1 12 611 TYR . 27847 1 13 612 ARG . 27847 1 14 613 ASP . 27847 1 15 614 HIS . 27847 1 16 615 SER . 27847 1 17 616 GLU . 27847 1 18 617 LYS . 27847 1 19 618 LYS . 27847 1 20 619 GLU . 27847 1 21 620 LEU . 27847 1 22 621 PRO . 27847 1 23 622 GLN . 27847 1 24 623 ASP . 27847 1 25 624 GLU . 27847 1 26 625 GLN . 27847 1 27 626 GLN . 27847 1 28 627 ASP . 27847 1 29 628 GLN . 27847 1 30 629 ASP . 27847 1 31 630 HIS . 27847 1 32 631 THR . 27847 1 33 632 GLN . 27847 1 34 633 GLU . 27847 1 35 634 ALA . 27847 1 36 635 ARG . 27847 1 37 636 ASN . 27847 1 38 637 GLN . 27847 1 39 638 ASP . 27847 1 40 639 SER . 27847 1 41 640 ASP . 27847 1 42 641 ASN . 27847 1 43 642 THR . 27847 1 44 643 GLN . 27847 1 45 644 SER . 27847 1 46 645 GLU . 27847 1 47 646 HIS . 27847 1 48 647 SER . 27847 1 49 648 PHE . 27847 1 50 649 GLU . 27847 1 51 650 GLU . 27847 1 52 651 MET . 27847 1 53 652 TYR . 27847 1 54 653 ARG . 27847 1 55 654 HIS . 27847 1 56 655 ILE . 27847 1 57 656 LEU . 27847 1 58 657 ARG . 27847 1 59 658 SER . 27847 1 60 659 GLN . 27847 1 61 660 GLY . 27847 1 62 661 PRO . 27847 1 63 662 PHE . 27847 1 64 663 ASP . 27847 1 65 664 ALA . 27847 1 66 665 VAL . 27847 1 67 666 LEU . 27847 1 68 667 TYR . 27847 1 69 668 TYR . 27847 1 70 669 HIS . 27847 1 71 670 MET . 27847 1 72 671 MET . 27847 1 73 672 LYS . 27847 1 74 673 ASP . 27847 1 75 674 GLU . 27847 1 76 675 PRO . 27847 1 77 676 VAL . 27847 1 78 677 VAL . 27847 1 79 678 PHE . 27847 1 80 679 SER . 27847 1 81 680 THR . 27847 1 82 681 SER . 27847 1 83 682 ASP . 27847 1 84 683 GLY . 27847 1 85 684 LYS . 27847 1 86 685 GLU . 27847 1 87 686 TYR . 27847 1 88 687 THR . 27847 1 89 688 TYR . 27847 1 90 689 PRO . 27847 1 91 690 ASP . 27847 1 92 691 SER . 27847 1 93 692 LEU . 27847 1 94 693 GLU . 27847 1 95 694 GLU . 27847 1 96 695 GLU . 27847 1 97 696 TYR . 27847 1 98 697 PRO . 27847 1 99 698 PRO . 27847 1 100 699 TRP . 27847 1 101 700 LEU . 27847 1 102 701 THR . 27847 1 103 702 GLU . 27847 1 104 703 LYS . 27847 1 105 704 GLU . 27847 1 106 705 ALA . 27847 1 107 706 MET . 27847 1 108 707 ASN . 27847 1 109 708 GLU . 27847 1 110 709 GLU . 27847 1 111 710 ASN . 27847 1 112 711 ARG . 27847 1 113 712 PHE . 27847 1 114 713 VAL . 27847 1 115 714 THR . 27847 1 116 715 LEU . 27847 1 117 716 ASP . 27847 1 118 717 GLY . 27847 1 119 718 GLN . 27847 1 120 719 GLN . 27847 1 121 720 PHE . 27847 1 122 721 TYR . 27847 1 123 722 TRP . 27847 1 124 723 PRO . 27847 1 125 724 VAL . 27847 1 126 725 MET . 27847 1 127 726 ASN . 27847 1 128 727 HIS . 27847 1 129 728 LYS . 27847 1 130 729 ASN . 27847 1 131 730 LYS . 27847 1 132 731 PHE . 27847 1 133 732 MET . 27847 1 134 733 ALA . 27847 1 135 734 ILE . 27847 1 136 735 LEU . 27847 1 137 736 GLN . 27847 1 138 737 HIS . 27847 1 139 738 HIS . 27847 1 140 739 GLN . 27847 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 27847 1 . THR 2 2 27847 1 . PRO 3 3 27847 1 . THR 4 4 27847 1 . VAL 5 5 27847 1 . ALA 6 6 27847 1 . PRO 7 7 27847 1 . PRO 8 8 27847 1 . ALA 9 9 27847 1 . PRO 10 10 27847 1 . VAL 11 11 27847 1 . TYR 12 12 27847 1 . ARG 13 13 27847 1 . ASP 14 14 27847 1 . HIS 15 15 27847 1 . SER 16 16 27847 1 . GLU 17 17 27847 1 . LYS 18 18 27847 1 . LYS 19 19 27847 1 . GLU 20 20 27847 1 . LEU 21 21 27847 1 . PRO 22 22 27847 1 . GLN 23 23 27847 1 . ASP 24 24 27847 1 . GLU 25 25 27847 1 . GLN 26 26 27847 1 . GLN 27 27 27847 1 . ASP 28 28 27847 1 . GLN 29 29 27847 1 . ASP 30 30 27847 1 . HIS 31 31 27847 1 . THR 32 32 27847 1 . GLN 33 33 27847 1 . GLU 34 34 27847 1 . ALA 35 35 27847 1 . ARG 36 36 27847 1 . ASN 37 37 27847 1 . GLN 38 38 27847 1 . ASP 39 39 27847 1 . SER 40 40 27847 1 . ASP 41 41 27847 1 . ASN 42 42 27847 1 . THR 43 43 27847 1 . GLN 44 44 27847 1 . SER 45 45 27847 1 . GLU 46 46 27847 1 . HIS 47 47 27847 1 . SER 48 48 27847 1 . PHE 49 49 27847 1 . GLU 50 50 27847 1 . GLU 51 51 27847 1 . MET 52 52 27847 1 . TYR 53 53 27847 1 . ARG 54 54 27847 1 . HIS 55 55 27847 1 . ILE 56 56 27847 1 . LEU 57 57 27847 1 . ARG 58 58 27847 1 . SER 59 59 27847 1 . GLN 60 60 27847 1 . GLY 61 61 27847 1 . PRO 62 62 27847 1 . PHE 63 63 27847 1 . ASP 64 64 27847 1 . ALA 65 65 27847 1 . VAL 66 66 27847 1 . LEU 67 67 27847 1 . TYR 68 68 27847 1 . TYR 69 69 27847 1 . HIS 70 70 27847 1 . MET 71 71 27847 1 . MET 72 72 27847 1 . LYS 73 73 27847 1 . ASP 74 74 27847 1 . GLU 75 75 27847 1 . PRO 76 76 27847 1 . VAL 77 77 27847 1 . VAL 78 78 27847 1 . PHE 79 79 27847 1 . SER 80 80 27847 1 . THR 81 81 27847 1 . SER 82 82 27847 1 . ASP 83 83 27847 1 . GLY 84 84 27847 1 . LYS 85 85 27847 1 . GLU 86 86 27847 1 . TYR 87 87 27847 1 . THR 88 88 27847 1 . TYR 89 89 27847 1 . PRO 90 90 27847 1 . ASP 91 91 27847 1 . SER 92 92 27847 1 . LEU 93 93 27847 1 . GLU 94 94 27847 1 . GLU 95 95 27847 1 . GLU 96 96 27847 1 . TYR 97 97 27847 1 . PRO 98 98 27847 1 . PRO 99 99 27847 1 . TRP 100 100 27847 1 . LEU 101 101 27847 1 . THR 102 102 27847 1 . GLU 103 103 27847 1 . LYS 104 104 27847 1 . GLU 105 105 27847 1 . ALA 106 106 27847 1 . MET 107 107 27847 1 . ASN 108 108 27847 1 . GLU 109 109 27847 1 . GLU 110 110 27847 1 . ASN 111 111 27847 1 . ARG 112 112 27847 1 . PHE 113 113 27847 1 . VAL 114 114 27847 1 . THR 115 115 27847 1 . LEU 116 116 27847 1 . ASP 117 117 27847 1 . GLY 118 118 27847 1 . GLN 119 119 27847 1 . GLN 120 120 27847 1 . PHE 121 121 27847 1 . TYR 122 122 27847 1 . TRP 123 123 27847 1 . PRO 124 124 27847 1 . VAL 125 125 27847 1 . MET 126 126 27847 1 . ASN 127 127 27847 1 . HIS 128 128 27847 1 . LYS 129 129 27847 1 . ASN 130 130 27847 1 . LYS 131 131 27847 1 . PHE 132 132 27847 1 . MET 133 133 27847 1 . ALA 134 134 27847 1 . ILE 135 135 27847 1 . LEU 136 136 27847 1 . GLN 137 137 27847 1 . HIS 138 138 27847 1 . HIS 139 139 27847 1 . GLN 140 140 27847 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 27847 _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 $eNP-CTD . 1570291 virus . 'Ebola virus' 'Ebola virus' . . Viruses . Ebolavirus 'Ebola virus' . . . . . . . . . . . . 'Ebola strain Mayinga-76' 27847 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 27847 _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 $eNP-CTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . His6-MBP-Parallel1 . . . 27847 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27847 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM HEPES buffer, pH 7.0, containing 150 mM sodium chloride, 2 mM TCEP' _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 eNP-CTD '[U-100% 13C; U-100% 15N]' . . 1 $eNP-CTD . . 1.3 . . mM . . . . 27847 1 2 'HEPES buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 27847 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27847 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27847 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 27847 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 27847 1 pH 7.0 . pH 27847 1 pressure 1 . atm 27847 1 temperature 298 . K 27847 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27847 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27847 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27847 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27847 _Software.ID 2 _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' . . 27847 2 'Ying et al.' . . 27847 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27847 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27847 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM-SPARKY _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, W et al.' . . 27847 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27847 3 . 'data analysis' 27847 3 . 'peak picking' 27847 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27847 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27847 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _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 27847 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 600 . . . 27847 1 2 spectrometer_2 Bruker Avance . 800 . . . 27847 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 27847 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H,15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 1 6 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 1 7 '3D NOESY 15N-TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27847 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 27847 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 na indirect 0.251449530 . . . . . 27847 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27847 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27847 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 27847 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H,15N TROSY-HSQC' . . . 27847 1 2 '3D HNCO' . . . 27847 1 3 '3D HN(CA)CO' . . . 27847 1 4 '3D HN(CO)CACB' . . . 27847 1 5 '3D HNCA' . . . 27847 1 6 '3D HN(CA)CB' . . . 27847 1 7 '3D NOESY 15N-TROSY-HSQC' . . . 27847 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 3 $SPARKY . . 27847 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 1 1 ARG C C 13 175.325 0.00 . . . . . . . 600 ARG C . 27847 1 2 . 1 1 1 1 ARG CA C 13 56.288 0.03 . . . . . . . 600 ARG CA . 27847 1 3 . 1 1 1 1 ARG CB C 13 30.523 0.00 . . . . . . . 600 ARG CB . 27847 1 4 . 1 1 2 2 THR H H 1 7.943 0.00 . . . . . . . 601 THR H . 27847 1 5 . 1 1 2 2 THR C C 13 172.771 0.00 . . . . . . . 601 THR C . 27847 1 6 . 1 1 2 2 THR CA C 13 58.810 0.00 . . . . . . . 601 THR CA . 27847 1 7 . 1 1 2 2 THR CB C 13 70.386 0.00 . . . . . . . 601 THR CB . 27847 1 8 . 1 1 2 2 THR N N 15 116.457 0.03 . . . . . . . 601 THR N . 27847 1 9 . 1 1 3 3 PRO CA C 13 63.259 0.02 . . . . . . . 602 PRO CA . 27847 1 10 . 1 1 3 3 PRO CB C 13 31.748 0.01 . . . . . . . 602 PRO CB . 27847 1 11 . 1 1 4 4 THR H H 1 8.220 0.01 . . . . . . . 603 THR H . 27847 1 12 . 1 1 4 4 THR C C 13 174.491 0.03 . . . . . . . 603 THR C . 27847 1 13 . 1 1 4 4 THR CA C 13 62.205 0.07 . . . . . . . 603 THR CA . 27847 1 14 . 1 1 4 4 THR CB C 13 69.834 0.03 . . . . . . . 603 THR CB . 27847 1 15 . 1 1 4 4 THR N N 15 116.310 0.06 . . . . . . . 603 THR N . 27847 1 16 . 1 1 5 5 VAL H H 1 8.112 0.01 . . . . . . . 604 VAL H . 27847 1 17 . 1 1 5 5 VAL C C 13 175.420 0.01 . . . . . . . 604 VAL C . 27847 1 18 . 1 1 5 5 VAL CA C 13 61.819 0.02 . . . . . . . 604 VAL CA . 27847 1 19 . 1 1 5 5 VAL CB C 13 32.606 0.02 . . . . . . . 604 VAL CB . 27847 1 20 . 1 1 5 5 VAL N N 15 123.900 0.06 . . . . . . . 604 VAL N . 27847 1 21 . 1 1 6 6 ALA H H 1 8.328 0.01 . . . . . . . 605 ALA H . 27847 1 22 . 1 1 6 6 ALA C C 13 174.991 0.00 . . . . . . . 605 ALA C . 27847 1 23 . 1 1 6 6 ALA CA C 13 50.374 0.00 . . . . . . . 605 ALA CA . 27847 1 24 . 1 1 6 6 ALA CB C 13 17.825 0.00 . . . . . . . 605 ALA CB . 27847 1 25 . 1 1 6 6 ALA N N 15 130.306 0.06 . . . . . . . 605 ALA N . 27847 1 26 . 1 1 8 8 PRO C C 13 176.410 0.00 . . . . . . . 607 PRO C . 27847 1 27 . 1 1 8 8 PRO CA C 13 62.812 0.02 . . . . . . . 607 PRO CA . 27847 1 28 . 1 1 8 8 PRO CB C 13 31.577 0.03 . . . . . . . 607 PRO CB . 27847 1 29 . 1 1 9 9 ALA H H 1 8.196 0.01 . . . . . . . 608 ALA H . 27847 1 30 . 1 1 9 9 ALA C C 13 175.707 0.00 . . . . . . . 608 ALA C . 27847 1 31 . 1 1 9 9 ALA CA C 13 50.367 0.00 . . . . . . . 608 ALA CA . 27847 1 32 . 1 1 9 9 ALA CB C 13 17.800 0.00 . . . . . . . 608 ALA CB . 27847 1 33 . 1 1 9 9 ALA N N 15 125.887 0.04 . . . . . . . 608 ALA N . 27847 1 34 . 1 1 10 10 PRO C C 13 176.673 0.00 . . . . . . . 609 PRO C . 27847 1 35 . 1 1 10 10 PRO CA C 13 63.005 0.01 . . . . . . . 609 PRO CA . 27847 1 36 . 1 1 10 10 PRO CB C 13 31.645 0.02 . . . . . . . 609 PRO CB . 27847 1 37 . 1 1 11 11 VAL H H 1 8.007 0.00 . . . . . . . 610 VAL H . 27847 1 38 . 1 1 11 11 VAL C C 13 175.893 0.01 . . . . . . . 610 VAL C . 27847 1 39 . 1 1 11 11 VAL CA C 13 62.107 0.02 . . . . . . . 610 VAL CA . 27847 1 40 . 1 1 11 11 VAL CB C 13 32.509 0.01 . . . . . . . 610 VAL CB . 27847 1 41 . 1 1 11 11 VAL N N 15 120.767 0.02 . . . . . . . 610 VAL N . 27847 1 42 . 1 1 12 12 TYR H H 1 8.210 0.01 . . . . . . . 611 TYR H . 27847 1 43 . 1 1 12 12 TYR C C 13 175.457 0.02 . . . . . . . 611 TYR C . 27847 1 44 . 1 1 12 12 TYR CA C 13 57.737 0.03 . . . . . . . 611 TYR CA . 27847 1 45 . 1 1 12 12 TYR CB C 13 38.664 0.03 . . . . . . . 611 TYR CB . 27847 1 46 . 1 1 12 12 TYR N N 15 125.124 0.07 . . . . . . . 611 TYR N . 27847 1 47 . 1 1 13 13 ARG H H 1 8.069 0.00 . . . . . . . 612 ARG H . 27847 1 48 . 1 1 13 13 ARG C C 13 175.495 0.04 . . . . . . . 612 ARG C . 27847 1 49 . 1 1 13 13 ARG CA C 13 55.567 0.03 . . . . . . . 612 ARG CA . 27847 1 50 . 1 1 13 13 ARG CB C 13 30.996 0.02 . . . . . . . 612 ARG CB . 27847 1 51 . 1 1 13 13 ARG N N 15 124.185 0.04 . . . . . . . 612 ARG N . 27847 1 52 . 1 1 14 14 ASP H H 1 8.259 0.00 . . . . . . . 613 ASP H . 27847 1 53 . 1 1 14 14 ASP CA C 13 54.629 0.02 . . . . . . . 613 ASP CA . 27847 1 54 . 1 1 14 14 ASP CB C 13 41.152 0.05 . . . . . . . 613 ASP CB . 27847 1 55 . 1 1 14 14 ASP N N 15 122.385 0.02 . . . . . . . 613 ASP N . 27847 1 56 . 1 1 15 15 HIS H H 1 8.368 0.00 . . . . . . . 614 HIS H . 27847 1 57 . 1 1 15 15 HIS CA C 13 56.053 0.04 . . . . . . . 614 HIS CA . 27847 1 58 . 1 1 15 15 HIS CB C 13 29.043 0.02 . . . . . . . 614 HIS CB . 27847 1 59 . 1 1 15 15 HIS N N 15 122.048 0.04 . . . . . . . 614 HIS N . 27847 1 60 . 1 1 16 16 SER H H 1 8.212 0.00 . . . . . . . 615 SER H . 27847 1 61 . 1 1 16 16 SER C C 13 174.763 0.00 . . . . . . . 615 SER C . 27847 1 62 . 1 1 16 16 SER CA C 13 58.616 0.05 . . . . . . . 615 SER CA . 27847 1 63 . 1 1 16 16 SER CB C 13 63.744 0.03 . . . . . . . 615 SER CB . 27847 1 64 . 1 1 16 16 SER N N 15 117.467 0.03 . . . . . . . 615 SER N . 27847 1 65 . 1 1 17 17 GLU H H 1 8.383 0.00 . . . . . . . 616 GLU H . 27847 1 66 . 1 1 17 17 GLU C C 13 176.390 0.00 . . . . . . . 616 GLU C . 27847 1 67 . 1 1 17 17 GLU CA C 13 56.583 0.03 . . . . . . . 616 GLU CA . 27847 1 68 . 1 1 17 17 GLU CB C 13 29.909 0.02 . . . . . . . 616 GLU CB . 27847 1 69 . 1 1 17 17 GLU N N 15 123.212 0.03 . . . . . . . 616 GLU N . 27847 1 70 . 1 1 18 18 LYS H H 1 8.254 0.00 . . . . . . . 617 LYS H . 27847 1 71 . 1 1 18 18 LYS C C 13 176.390 0.01 . . . . . . . 617 LYS C . 27847 1 72 . 1 1 18 18 LYS CA C 13 56.325 0.01 . . . . . . . 617 LYS CA . 27847 1 73 . 1 1 18 18 LYS CB C 13 32.458 0.02 . . . . . . . 617 LYS CB . 27847 1 74 . 1 1 18 18 LYS N N 15 123.433 0.03 . . . . . . . 617 LYS N . 27847 1 75 . 1 1 19 19 LYS H H 1 8.289 0.00 . . . . . . . 618 LYS H . 27847 1 76 . 1 1 19 19 LYS C C 13 176.349 0.00 . . . . . . . 618 LYS C . 27847 1 77 . 1 1 19 19 LYS CA C 13 56.123 0.02 . . . . . . . 618 LYS CA . 27847 1 78 . 1 1 19 19 LYS CB C 13 32.651 0.03 . . . . . . . 618 LYS CB . 27847 1 79 . 1 1 19 19 LYS N N 15 124.080 0.04 . . . . . . . 618 LYS N . 27847 1 80 . 1 1 20 20 GLU H H 1 8.375 0.00 . . . . . . . 619 GLU H . 27847 1 81 . 1 1 20 20 GLU C C 13 175.202 0.01 . . . . . . . 619 GLU C . 27847 1 82 . 1 1 20 20 GLU CA C 13 56.379 0.03 . . . . . . . 619 GLU CA . 27847 1 83 . 1 1 20 20 GLU CB C 13 30.081 0.06 . . . . . . . 619 GLU CB . 27847 1 84 . 1 1 20 20 GLU N N 15 123.271 0.03 . . . . . . . 619 GLU N . 27847 1 85 . 1 1 21 21 LEU H H 1 7.979 0.00 . . . . . . . 620 LEU H . 27847 1 86 . 1 1 21 21 LEU C C 13 175.719 0.00 . . . . . . . 620 LEU C . 27847 1 87 . 1 1 21 21 LEU CA C 13 52.751 0.00 . . . . . . . 620 LEU CA . 27847 1 88 . 1 1 21 21 LEU CB C 13 42.289 0.00 . . . . . . . 620 LEU CB . 27847 1 89 . 1 1 21 21 LEU N N 15 122.521 0.02 . . . . . . . 620 LEU N . 27847 1 90 . 1 1 22 22 PRO C C 13 176.426 0.00 . . . . . . . 621 PRO C . 27847 1 91 . 1 1 22 22 PRO CA C 13 62.662 0.02 . . . . . . . 621 PRO CA . 27847 1 92 . 1 1 22 22 PRO CB C 13 34.314 0.02 . . . . . . . 621 PRO CB . 27847 1 93 . 1 1 23 23 GLN H H 1 8.675 0.00 . . . . . . . 622 GLN H . 27847 1 94 . 1 1 23 23 GLN C C 13 175.802 0.01 . . . . . . . 622 GLN C . 27847 1 95 . 1 1 23 23 GLN CA C 13 56.224 0.03 . . . . . . . 622 GLN CA . 27847 1 96 . 1 1 23 23 GLN CB C 13 29.496 0.04 . . . . . . . 622 GLN CB . 27847 1 97 . 1 1 23 23 GLN N N 15 121.428 0.02 . . . . . . . 622 GLN N . 27847 1 98 . 1 1 24 24 ASP H H 1 8.433 0.00 . . . . . . . 623 ASP H . 27847 1 99 . 1 1 24 24 ASP CA C 13 54.633 0.06 . . . . . . . 623 ASP CA . 27847 1 100 . 1 1 24 24 ASP CB C 13 41.149 0.03 . . . . . . . 623 ASP CB . 27847 1 101 . 1 1 24 24 ASP N N 15 122.398 0.02 . . . . . . . 623 ASP N . 27847 1 102 . 1 1 25 25 GLU H H 1 7.708 0.00 . . . . . . . 624 GLU H . 27847 1 103 . 1 1 25 25 GLU C C 13 177.073 0.00 . . . . . . . 624 GLU C . 27847 1 104 . 1 1 25 25 GLU CA C 13 57.252 0.06 . . . . . . . 624 GLU CA . 27847 1 105 . 1 1 25 25 GLU CB C 13 29.715 0.02 . . . . . . . 624 GLU CB . 27847 1 106 . 1 1 25 25 GLU N N 15 122.559 0.01 . . . . . . . 624 GLU N . 27847 1 107 . 1 1 26 26 GLN H H 1 8.121 0.00 . . . . . . . 625 GLN H . 27847 1 108 . 1 1 26 26 GLN C C 13 176.714 0.01 . . . . . . . 625 GLN C . 27847 1 109 . 1 1 26 26 GLN CA C 13 56.961 0.09 . . . . . . . 625 GLN CA . 27847 1 110 . 1 1 26 26 GLN CB C 13 29.960 0.03 . . . . . . . 625 GLN CB . 27847 1 111 . 1 1 26 26 GLN N N 15 121.242 0.03 . . . . . . . 625 GLN N . 27847 1 112 . 1 1 27 27 GLN H H 1 8.386 0.00 . . . . . . . 626 GLN H . 27847 1 113 . 1 1 27 27 GLN C C 13 176.257 0.00 . . . . . . . 626 GLN C . 27847 1 114 . 1 1 27 27 GLN CA C 13 56.037 0.03 . . . . . . . 626 GLN CA . 27847 1 115 . 1 1 27 27 GLN CB C 13 29.165 0.09 . . . . . . . 626 GLN CB . 27847 1 116 . 1 1 27 27 GLN N N 15 121.694 0.01 . . . . . . . 626 GLN N . 27847 1 117 . 1 1 28 28 ASP H H 1 8.355 0.00 . . . . . . . 627 ASP H . 27847 1 118 . 1 1 28 28 ASP C C 13 176.498 0.01 . . . . . . . 627 ASP C . 27847 1 119 . 1 1 28 28 ASP CA C 13 54.619 0.02 . . . . . . . 627 ASP CA . 27847 1 120 . 1 1 28 28 ASP CB C 13 40.977 0.02 . . . . . . . 627 ASP CB . 27847 1 121 . 1 1 28 28 ASP N N 15 121.938 0.01 . . . . . . . 627 ASP N . 27847 1 122 . 1 1 29 29 GLN H H 1 8.244 0.00 . . . . . . . 628 GLN H . 27847 1 123 . 1 1 29 29 GLN C C 13 175.854 0.01 . . . . . . . 628 GLN C . 27847 1 124 . 1 1 29 29 GLN CA C 13 56.096 0.03 . . . . . . . 628 GLN CA . 27847 1 125 . 1 1 29 29 GLN CB C 13 29.199 0.02 . . . . . . . 628 GLN CB . 27847 1 126 . 1 1 29 29 GLN N N 15 120.856 0.02 . . . . . . . 628 GLN N . 27847 1 127 . 1 1 30 30 ASP H H 1 8.276 0.00 . . . . . . . 629 ASP H . 27847 1 128 . 1 1 30 30 ASP C C 13 176.498 0.00 . . . . . . . 629 ASP C . 27847 1 129 . 1 1 30 30 ASP CA C 13 54.623 0.03 . . . . . . . 629 ASP CA . 27847 1 130 . 1 1 30 30 ASP CB C 13 41.002 0.03 . . . . . . . 629 ASP CB . 27847 1 131 . 1 1 30 30 ASP N N 15 121.116 0.02 . . . . . . . 629 ASP N . 27847 1 132 . 1 1 31 31 HIS H H 1 8.363 0.01 . . . . . . . 630 HIS H . 27847 1 133 . 1 1 31 31 HIS C C 13 175.398 0.00 . . . . . . . 630 HIS C . 27847 1 134 . 1 1 31 31 HIS CA C 13 55.918 0.02 . . . . . . . 630 HIS CA . 27847 1 135 . 1 1 31 31 HIS CB C 13 28.955 0.00 . . . . . . . 630 HIS CB . 27847 1 136 . 1 1 31 31 HIS N N 15 120.368 0.04 . . . . . . . 630 HIS N . 27847 1 137 . 1 1 32 32 THR H H 1 8.206 0.00 . . . . . . . 631 THR H . 27847 1 138 . 1 1 32 32 THR C C 13 175.128 0.01 . . . . . . . 631 THR C . 27847 1 139 . 1 1 32 32 THR CA C 13 63.037 0.00 . . . . . . . 631 THR CA . 27847 1 140 . 1 1 32 32 THR CB C 13 69.654 0.02 . . . . . . . 631 THR CB . 27847 1 141 . 1 1 32 32 THR N N 15 115.674 0.02 . . . . . . . 631 THR N . 27847 1 142 . 1 1 33 33 GLN H H 1 8.342 0.00 . . . . . . . 632 GLN H . 27847 1 143 . 1 1 33 33 GLN C C 13 176.245 0.01 . . . . . . . 632 GLN C . 27847 1 144 . 1 1 33 33 GLN CA C 13 56.160 0.03 . . . . . . . 632 GLN CA . 27847 1 145 . 1 1 33 33 GLN CB C 13 28.947 0.01 . . . . . . . 632 GLN CB . 27847 1 146 . 1 1 33 33 GLN N N 15 122.654 0.02 . . . . . . . 632 GLN N . 27847 1 147 . 1 1 34 34 GLU H H 1 8.238 0.00 . . . . . . . 633 GLU H . 27847 1 148 . 1 1 34 34 GLU C C 13 176.510 0.01 . . . . . . . 633 GLU C . 27847 1 149 . 1 1 34 34 GLU CA C 13 56.843 0.02 . . . . . . . 633 GLU CA . 27847 1 150 . 1 1 34 34 GLU CB C 13 29.926 0.02 . . . . . . . 633 GLU CB . 27847 1 151 . 1 1 34 34 GLU N N 15 122.492 0.02 . . . . . . . 633 GLU N . 27847 1 152 . 1 1 35 35 ALA H H 1 8.233 0.00 . . . . . . . 634 ALA H . 27847 1 153 . 1 1 35 35 ALA C C 13 177.905 0.01 . . . . . . . 634 ALA C . 27847 1 154 . 1 1 35 35 ALA CA C 13 52.705 0.02 . . . . . . . 634 ALA CA . 27847 1 155 . 1 1 35 35 ALA CB C 13 18.673 0.02 . . . . . . . 634 ALA CB . 27847 1 156 . 1 1 35 35 ALA N N 15 125.637 0.02 . . . . . . . 634 ALA N . 27847 1 157 . 1 1 36 36 ARG H H 1 8.193 0.00 . . . . . . . 635 ARG H . 27847 1 158 . 1 1 36 36 ARG C C 13 176.392 0.01 . . . . . . . 635 ARG C . 27847 1 159 . 1 1 36 36 ARG CA C 13 56.139 0.03 . . . . . . . 635 ARG CA . 27847 1 160 . 1 1 36 36 ARG CB C 13 30.407 0.02 . . . . . . . 635 ARG CB . 27847 1 161 . 1 1 36 36 ARG N N 15 120.760 0.02 . . . . . . . 635 ARG N . 27847 1 162 . 1 1 37 37 ASN H H 1 8.395 0.00 . . . . . . . 636 ASN H . 27847 1 163 . 1 1 37 37 ASN CA C 13 53.597 0.02 . . . . . . . 636 ASN CA . 27847 1 164 . 1 1 37 37 ASN CB C 13 38.789 0.02 . . . . . . . 636 ASN CB . 27847 1 165 . 1 1 37 37 ASN N N 15 120.497 0.02 . . . . . . . 636 ASN N . 27847 1 166 . 1 1 38 38 GLN H H 1 8.377 0.00 . . . . . . . 637 GLN H . 27847 1 167 . 1 1 38 38 GLN CA C 13 56.155 0.05 . . . . . . . 637 GLN CA . 27847 1 168 . 1 1 38 38 GLN CB C 13 29.132 0.02 . . . . . . . 637 GLN CB . 27847 1 169 . 1 1 38 38 GLN N N 15 121.350 0.02 . . . . . . . 637 GLN N . 27847 1 170 . 1 1 39 39 ASP H H 1 8.318 0.00 . . . . . . . 638 ASP H . 27847 1 171 . 1 1 39 39 ASP C C 13 176.641 0.00 . . . . . . . 638 ASP C . 27847 1 172 . 1 1 39 39 ASP CA C 13 54.857 0.02 . . . . . . . 638 ASP CA . 27847 1 173 . 1 1 39 39 ASP CB C 13 41.032 0.03 . . . . . . . 638 ASP CB . 27847 1 174 . 1 1 39 39 ASP N N 15 121.866 0.13 . . . . . . . 638 ASP N . 27847 1 175 . 1 1 40 40 SER H H 1 8.138 0.00 . . . . . . . 639 SER H . 27847 1 176 . 1 1 40 40 SER C C 13 174.533 0.01 . . . . . . . 639 SER C . 27847 1 177 . 1 1 40 40 SER CA C 13 58.773 0.01 . . . . . . . 639 SER CA . 27847 1 178 . 1 1 40 40 SER CB C 13 63.723 0.02 . . . . . . . 639 SER CB . 27847 1 179 . 1 1 40 40 SER N N 15 116.274 0.02 . . . . . . . 639 SER N . 27847 1 180 . 1 1 41 41 ASP H H 1 8.287 0.00 . . . . . . . 640 ASP H . 27847 1 181 . 1 1 41 41 ASP C C 13 176.380 0.01 . . . . . . . 640 ASP C . 27847 1 182 . 1 1 41 41 ASP CA C 13 54.700 0.03 . . . . . . . 640 ASP CA . 27847 1 183 . 1 1 41 41 ASP CB C 13 40.995 0.03 . . . . . . . 640 ASP CB . 27847 1 184 . 1 1 41 41 ASP N N 15 122.539 0.01 . . . . . . . 640 ASP N . 27847 1 185 . 1 1 42 42 ASN H H 1 8.322 0.00 . . . . . . . 641 ASN H . 27847 1 186 . 1 1 42 42 ASN C C 13 175.971 0.00 . . . . . . . 641 ASN C . 27847 1 187 . 1 1 42 42 ASN CA C 13 53.685 0.04 . . . . . . . 641 ASN CA . 27847 1 188 . 1 1 42 42 ASN CB C 13 38.719 0.02 . . . . . . . 641 ASN CB . 27847 1 189 . 1 1 42 42 ASN N N 15 120.189 0.01 . . . . . . . 641 ASN N . 27847 1 190 . 1 1 43 43 THR H H 1 8.161 0.00 . . . . . . . 642 THR H . 27847 1 191 . 1 1 43 43 THR C C 13 175.237 0.01 . . . . . . . 642 THR C . 27847 1 192 . 1 1 43 43 THR CA C 13 62.979 0.02 . . . . . . . 642 THR CA . 27847 1 193 . 1 1 43 43 THR CB C 13 69.614 0.02 . . . . . . . 642 THR CB . 27847 1 194 . 1 1 43 43 THR N N 15 114.925 0.02 . . . . . . . 642 THR N . 27847 1 195 . 1 1 44 44 GLN H H 1 8.313 0.00 . . . . . . . 643 GLN H . 27847 1 196 . 1 1 44 44 GLN C C 13 176.458 0.01 . . . . . . . 643 GLN C . 27847 1 197 . 1 1 44 44 GLN CA C 13 56.303 0.03 . . . . . . . 643 GLN CA . 27847 1 198 . 1 1 44 44 GLN CB C 13 28.861 0.01 . . . . . . . 643 GLN CB . 27847 1 199 . 1 1 44 44 GLN N N 15 122.720 0.02 . . . . . . . 643 GLN N . 27847 1 200 . 1 1 45 45 SER H H 1 8.234 0.00 . . . . . . . 644 SER H . 27847 1 201 . 1 1 45 45 SER C C 13 175.095 0.01 . . . . . . . 644 SER C . 27847 1 202 . 1 1 45 45 SER CA C 13 58.844 0.01 . . . . . . . 644 SER CA . 27847 1 203 . 1 1 45 45 SER CB C 13 63.719 0.01 . . . . . . . 644 SER CB . 27847 1 204 . 1 1 45 45 SER N N 15 117.481 0.03 . . . . . . . 644 SER N . 27847 1 205 . 1 1 46 46 GLU H H 1 8.438 0.00 . . . . . . . 645 GLU H . 27847 1 206 . 1 1 46 46 GLU C C 13 177.190 0.01 . . . . . . . 645 GLU C . 27847 1 207 . 1 1 46 46 GLU CA C 13 57.624 0.03 . . . . . . . 645 GLU CA . 27847 1 208 . 1 1 46 46 GLU CB C 13 29.492 0.02 . . . . . . . 645 GLU CB . 27847 1 209 . 1 1 46 46 GLU N N 15 123.241 0.02 . . . . . . . 645 GLU N . 27847 1 210 . 1 1 47 47 HIS H H 1 8.318 0.00 . . . . . . . 646 HIS H . 27847 1 211 . 1 1 47 47 HIS C C 13 175.854 0.01 . . . . . . . 646 HIS C . 27847 1 212 . 1 1 47 47 HIS CA C 13 56.675 0.02 . . . . . . . 646 HIS CA . 27847 1 213 . 1 1 47 47 HIS CB C 13 29.524 0.01 . . . . . . . 646 HIS CB . 27847 1 214 . 1 1 47 47 HIS N N 15 119.133 0.02 . . . . . . . 646 HIS N . 27847 1 215 . 1 1 48 48 SER H H 1 8.296 0.00 . . . . . . . 647 SER H . 27847 1 216 . 1 1 48 48 SER C C 13 175.930 0.03 . . . . . . . 647 SER C . 27847 1 217 . 1 1 48 48 SER CA C 13 59.520 0.01 . . . . . . . 647 SER CA . 27847 1 218 . 1 1 48 48 SER CB C 13 63.784 0.01 . . . . . . . 647 SER CB . 27847 1 219 . 1 1 48 48 SER N N 15 117.447 0.03 . . . . . . . 647 SER N . 27847 1 220 . 1 1 49 49 PHE H H 1 8.405 0.00 . . . . . . . 648 PHE H . 27847 1 221 . 1 1 49 49 PHE C C 13 179.036 0.01 . . . . . . . 648 PHE C . 27847 1 222 . 1 1 49 49 PHE CA C 13 58.253 0.02 . . . . . . . 648 PHE CA . 27847 1 223 . 1 1 49 49 PHE CB C 13 41.314 0.02 . . . . . . . 648 PHE CB . 27847 1 224 . 1 1 49 49 PHE N N 15 124.765 0.01 . . . . . . . 648 PHE N . 27847 1 225 . 1 1 50 50 GLU H H 1 8.308 0.00 . . . . . . . 649 GLU H . 27847 1 226 . 1 1 50 50 GLU C C 13 179.086 0.01 . . . . . . . 649 GLU C . 27847 1 227 . 1 1 50 50 GLU CA C 13 60.068 0.03 . . . . . . . 649 GLU CA . 27847 1 228 . 1 1 50 50 GLU CB C 13 28.822 0.02 . . . . . . . 649 GLU CB . 27847 1 229 . 1 1 50 50 GLU N N 15 118.890 0.01 . . . . . . . 649 GLU N . 27847 1 230 . 1 1 51 51 GLU H H 1 7.990 0.00 . . . . . . . 650 GLU H . 27847 1 231 . 1 1 51 51 GLU C C 13 179.777 0.01 . . . . . . . 650 GLU C . 27847 1 232 . 1 1 51 51 GLU CA C 13 59.251 0.00 . . . . . . . 650 GLU CA . 27847 1 233 . 1 1 51 51 GLU CB C 13 29.292 0.02 . . . . . . . 650 GLU CB . 27847 1 234 . 1 1 51 51 GLU N N 15 119.667 0.03 . . . . . . . 650 GLU N . 27847 1 235 . 1 1 52 52 MET H H 1 8.221 0.00 . . . . . . . 651 MET H . 27847 1 236 . 1 1 52 52 MET C C 13 178.062 0.01 . . . . . . . 651 MET C . 27847 1 237 . 1 1 52 52 MET CA C 13 57.434 0.02 . . . . . . . 651 MET CA . 27847 1 238 . 1 1 52 52 MET CB C 13 30.426 0.03 . . . . . . . 651 MET CB . 27847 1 239 . 1 1 52 52 MET N N 15 121.205 0.02 . . . . . . . 651 MET N . 27847 1 240 . 1 1 53 53 TYR H H 1 8.700 0.00 . . . . . . . 652 TYR H . 27847 1 241 . 1 1 53 53 TYR C C 13 176.701 0.01 . . . . . . . 652 TYR C . 27847 1 242 . 1 1 53 53 TYR CA C 13 62.100 0.01 . . . . . . . 652 TYR CA . 27847 1 243 . 1 1 53 53 TYR CB C 13 38.134 0.02 . . . . . . . 652 TYR CB . 27847 1 244 . 1 1 53 53 TYR N N 15 121.379 0.03 . . . . . . . 652 TYR N . 27847 1 245 . 1 1 54 54 ARG H H 1 7.973 0.00 . . . . . . . 653 ARG H . 27847 1 246 . 1 1 54 54 ARG C C 13 178.807 0.01 . . . . . . . 653 ARG C . 27847 1 247 . 1 1 54 54 ARG CA C 13 59.794 0.02 . . . . . . . 653 ARG CA . 27847 1 248 . 1 1 54 54 ARG CB C 13 29.709 0.02 . . . . . . . 653 ARG CB . 27847 1 249 . 1 1 54 54 ARG N N 15 117.876 0.02 . . . . . . . 653 ARG N . 27847 1 250 . 1 1 55 55 HIS H H 1 8.053 0.01 . . . . . . . 654 HIS H . 27847 1 251 . 1 1 55 55 HIS C C 13 178.724 0.01 . . . . . . . 654 HIS C . 27847 1 252 . 1 1 55 55 HIS CA C 13 59.477 0.01 . . . . . . . 654 HIS CA . 27847 1 253 . 1 1 55 55 HIS CB C 13 29.850 0.01 . . . . . . . 654 HIS CB . 27847 1 254 . 1 1 55 55 HIS N N 15 120.099 0.01 . . . . . . . 654 HIS N . 27847 1 255 . 1 1 56 56 ILE H H 1 8.552 0.00 . . . . . . . 655 ILE H . 27847 1 256 . 1 1 56 56 ILE C C 13 178.067 0.01 . . . . . . . 655 ILE C . 27847 1 257 . 1 1 56 56 ILE CA C 13 65.246 0.00 . . . . . . . 655 ILE CA . 27847 1 258 . 1 1 56 56 ILE CB C 13 37.806 0.02 . . . . . . . 655 ILE CB . 27847 1 259 . 1 1 56 56 ILE N N 15 123.649 0.03 . . . . . . . 655 ILE N . 27847 1 260 . 1 1 57 57 LEU H H 1 8.357 0.00 . . . . . . . 656 LEU H . 27847 1 261 . 1 1 57 57 LEU C C 13 178.349 0.01 . . . . . . . 656 LEU C . 27847 1 262 . 1 1 57 57 LEU CA C 13 58.304 0.02 . . . . . . . 656 LEU CA . 27847 1 263 . 1 1 57 57 LEU CB C 13 41.337 0.02 . . . . . . . 656 LEU CB . 27847 1 264 . 1 1 57 57 LEU N N 15 123.444 0.01 . . . . . . . 656 LEU N . 27847 1 265 . 1 1 58 58 ARG H H 1 7.411 0.00 . . . . . . . 657 ARG H . 27847 1 266 . 1 1 58 58 ARG C C 13 177.563 0.01 . . . . . . . 657 ARG C . 27847 1 267 . 1 1 58 58 ARG CA C 13 58.132 0.02 . . . . . . . 657 ARG CA . 27847 1 268 . 1 1 58 58 ARG CB C 13 30.221 0.03 . . . . . . . 657 ARG CB . 27847 1 269 . 1 1 58 58 ARG N N 15 115.366 0.01 . . . . . . . 657 ARG N . 27847 1 270 . 1 1 59 59 SER H H 1 7.878 0.00 . . . . . . . 658 SER H . 27847 1 271 . 1 1 59 59 SER C C 13 175.050 0.01 . . . . . . . 658 SER C . 27847 1 272 . 1 1 59 59 SER CA C 13 60.088 0.02 . . . . . . . 658 SER CA . 27847 1 273 . 1 1 59 59 SER CB C 13 64.202 0.02 . . . . . . . 658 SER CB . 27847 1 274 . 1 1 59 59 SER N N 15 113.291 0.01 . . . . . . . 658 SER N . 27847 1 275 . 1 1 60 60 GLN H H 1 8.603 0.00 . . . . . . . 659 GLN H . 27847 1 276 . 1 1 60 60 GLN C C 13 176.199 0.01 . . . . . . . 659 GLN C . 27847 1 277 . 1 1 60 60 GLN CA C 13 56.773 0.00 . . . . . . . 659 GLN CA . 27847 1 278 . 1 1 60 60 GLN CB C 13 30.441 0.02 . . . . . . . 659 GLN CB . 27847 1 279 . 1 1 60 60 GLN N N 15 121.344 0.02 . . . . . . . 659 GLN N . 27847 1 280 . 1 1 61 61 GLY H H 1 7.761 0.00 . . . . . . . 660 GLY H . 27847 1 281 . 1 1 61 61 GLY C C 13 172.395 0.00 . . . . . . . 660 GLY C . 27847 1 282 . 1 1 61 61 GLY CA C 13 45.124 0.00 . . . . . . . 660 GLY CA . 27847 1 283 . 1 1 61 61 GLY N N 15 109.263 0.02 . . . . . . . 660 GLY N . 27847 1 284 . 1 1 62 62 PRO CA C 13 65.037 0.01 . . . . . . . 661 PRO CA . 27847 1 285 . 1 1 62 62 PRO CB C 13 31.622 0.01 . . . . . . . 661 PRO CB . 27847 1 286 . 1 1 63 63 PHE H H 1 8.237 0.00 . . . . . . . 662 PHE H . 27847 1 287 . 1 1 63 63 PHE C C 13 175.468 0.01 . . . . . . . 662 PHE C . 27847 1 288 . 1 1 63 63 PHE CA C 13 60.417 0.01 . . . . . . . 662 PHE CA . 27847 1 289 . 1 1 63 63 PHE CB C 13 37.843 0.02 . . . . . . . 662 PHE CB . 27847 1 290 . 1 1 63 63 PHE N N 15 120.525 0.04 . . . . . . . 662 PHE N . 27847 1 291 . 1 1 64 64 ASP H H 1 7.558 0.00 . . . . . . . 663 ASP H . 27847 1 292 . 1 1 64 64 ASP C C 13 178.541 0.02 . . . . . . . 663 ASP C . 27847 1 293 . 1 1 64 64 ASP CA C 13 57.039 0.00 . . . . . . . 663 ASP CA . 27847 1 294 . 1 1 64 64 ASP CB C 13 40.361 0.01 . . . . . . . 663 ASP CB . 27847 1 295 . 1 1 64 64 ASP N N 15 117.160 0.01 . . . . . . . 663 ASP N . 27847 1 296 . 1 1 65 65 ALA H H 1 7.364 0.00 . . . . . . . 664 ALA H . 27847 1 297 . 1 1 65 65 ALA C C 13 178.385 0.00 . . . . . . . 664 ALA C . 27847 1 298 . 1 1 65 65 ALA CA C 13 55.690 0.01 . . . . . . . 664 ALA CA . 27847 1 299 . 1 1 65 65 ALA CB C 13 17.876 0.02 . . . . . . . 664 ALA CB . 27847 1 300 . 1 1 65 65 ALA N N 15 122.242 0.04 . . . . . . . 664 ALA N . 27847 1 301 . 1 1 66 66 VAL H H 1 7.538 0.00 . . . . . . . 665 VAL H . 27847 1 302 . 1 1 66 66 VAL C C 13 177.319 0.01 . . . . . . . 665 VAL C . 27847 1 303 . 1 1 66 66 VAL CA C 13 66.885 0.01 . . . . . . . 665 VAL CA . 27847 1 304 . 1 1 66 66 VAL CB C 13 30.548 0.02 . . . . . . . 665 VAL CB . 27847 1 305 . 1 1 66 66 VAL N N 15 120.026 0.02 . . . . . . . 665 VAL N . 27847 1 306 . 1 1 67 67 LEU H H 1 7.804 0.00 . . . . . . . 666 LEU H . 27847 1 307 . 1 1 67 67 LEU C C 13 179.390 0.01 . . . . . . . 666 LEU C . 27847 1 308 . 1 1 67 67 LEU CA C 13 58.123 0.01 . . . . . . . 666 LEU CA . 27847 1 309 . 1 1 67 67 LEU CB C 13 40.597 0.02 . . . . . . . 666 LEU CB . 27847 1 310 . 1 1 67 67 LEU N N 15 121.405 0.01 . . . . . . . 666 LEU N . 27847 1 311 . 1 1 68 68 TYR H H 1 7.651 0.00 . . . . . . . 667 TYR H . 27847 1 312 . 1 1 68 68 TYR C C 13 176.746 0.03 . . . . . . . 667 TYR C . 27847 1 313 . 1 1 68 68 TYR CA C 13 61.585 0.05 . . . . . . . 667 TYR CA . 27847 1 314 . 1 1 68 68 TYR CB C 13 38.129 0.02 . . . . . . . 667 TYR CB . 27847 1 315 . 1 1 68 68 TYR N N 15 119.877 0.03 . . . . . . . 667 TYR N . 27847 1 316 . 1 1 69 69 TYR H H 1 8.295 0.01 . . . . . . . 668 TYR H . 27847 1 317 . 1 1 69 69 TYR C C 13 177.922 0.01 . . . . . . . 668 TYR C . 27847 1 318 . 1 1 69 69 TYR CA C 13 61.313 0.05 . . . . . . . 668 TYR CA . 27847 1 319 . 1 1 69 69 TYR CB C 13 38.637 0.06 . . . . . . . 668 TYR CB . 27847 1 320 . 1 1 69 69 TYR N N 15 121.364 0.08 . . . . . . . 668 TYR N . 27847 1 321 . 1 1 70 70 HIS H H 1 8.888 0.00 . . . . . . . 669 HIS H . 27847 1 322 . 1 1 70 70 HIS C C 13 177.544 0.01 . . . . . . . 669 HIS C . 27847 1 323 . 1 1 70 70 HIS CA C 13 59.765 0.00 . . . . . . . 669 HIS CA . 27847 1 324 . 1 1 70 70 HIS CB C 13 29.347 0.03 . . . . . . . 669 HIS CB . 27847 1 325 . 1 1 70 70 HIS N N 15 117.126 0.04 . . . . . . . 669 HIS N . 27847 1 326 . 1 1 71 71 MET H H 1 8.347 0.00 . . . . . . . 670 MET H . 27847 1 327 . 1 1 71 71 MET C C 13 178.628 0.02 . . . . . . . 670 MET C . 27847 1 328 . 1 1 71 71 MET CA C 13 58.092 0.01 . . . . . . . 670 MET CA . 27847 1 329 . 1 1 71 71 MET CB C 13 31.804 0.05 . . . . . . . 670 MET CB . 27847 1 330 . 1 1 71 71 MET N N 15 119.091 0.02 . . . . . . . 670 MET N . 27847 1 331 . 1 1 72 72 MET H H 1 7.890 0.00 . . . . . . . 671 MET H . 27847 1 332 . 1 1 72 72 MET C C 13 178.879 0.01 . . . . . . . 671 MET C . 27847 1 333 . 1 1 72 72 MET CA C 13 55.905 0.02 . . . . . . . 671 MET CA . 27847 1 334 . 1 1 72 72 MET CB C 13 31.289 0.02 . . . . . . . 671 MET CB . 27847 1 335 . 1 1 72 72 MET N N 15 116.552 0.02 . . . . . . . 671 MET N . 27847 1 336 . 1 1 73 73 LYS H H 1 7.920 0.00 . . . . . . . 672 LYS H . 27847 1 337 . 1 1 73 73 LYS C C 13 176.718 0.01 . . . . . . . 672 LYS C . 27847 1 338 . 1 1 73 73 LYS CA C 13 56.118 0.02 . . . . . . . 672 LYS CA . 27847 1 339 . 1 1 73 73 LYS CB C 13 32.211 0.01 . . . . . . . 672 LYS CB . 27847 1 340 . 1 1 73 73 LYS N N 15 117.559 0.03 . . . . . . . 672 LYS N . 27847 1 341 . 1 1 74 74 ASP H H 1 8.125 0.01 . . . . . . . 673 ASP H . 27847 1 342 . 1 1 74 74 ASP C C 13 174.180 0.00 . . . . . . . 673 ASP C . 27847 1 343 . 1 1 74 74 ASP CA C 13 54.779 0.04 . . . . . . . 673 ASP CA . 27847 1 344 . 1 1 74 74 ASP CB C 13 39.784 0.02 . . . . . . . 673 ASP CB . 27847 1 345 . 1 1 74 74 ASP N N 15 119.478 0.01 . . . . . . . 673 ASP N . 27847 1 346 . 1 1 75 75 GLU H H 1 7.017 0.00 . . . . . . . 674 GLU H . 27847 1 347 . 1 1 75 75 GLU C C 13 173.531 0.00 . . . . . . . 674 GLU C . 27847 1 348 . 1 1 75 75 GLU CA C 13 53.611 0.00 . . . . . . . 674 GLU CA . 27847 1 349 . 1 1 75 75 GLU CB C 13 31.463 0.00 . . . . . . . 674 GLU CB . 27847 1 350 . 1 1 75 75 GLU N N 15 113.913 0.01 . . . . . . . 674 GLU N . 27847 1 351 . 1 1 76 76 PRO C C 13 176.796 0.00 . . . . . . . 675 PRO C . 27847 1 352 . 1 1 76 76 PRO CA C 13 63.495 0.02 . . . . . . . 675 PRO CA . 27847 1 353 . 1 1 76 76 PRO CB C 13 31.899 0.02 . . . . . . . 675 PRO CB . 27847 1 354 . 1 1 77 77 VAL H H 1 9.083 0.00 . . . . . . . 676 VAL H . 27847 1 355 . 1 1 77 77 VAL C C 13 175.129 0.01 . . . . . . . 676 VAL C . 27847 1 356 . 1 1 77 77 VAL CA C 13 60.090 0.01 . . . . . . . 676 VAL CA . 27847 1 357 . 1 1 77 77 VAL CB C 13 35.340 0.04 . . . . . . . 676 VAL CB . 27847 1 358 . 1 1 77 77 VAL N N 15 120.106 0.08 . . . . . . . 676 VAL N . 27847 1 359 . 1 1 78 78 VAL H H 1 8.719 0.01 . . . . . . . 677 VAL H . 27847 1 360 . 1 1 78 78 VAL C C 13 176.053 0.01 . . . . . . . 677 VAL C . 27847 1 361 . 1 1 78 78 VAL CA C 13 62.059 0.00 . . . . . . . 677 VAL CA . 27847 1 362 . 1 1 78 78 VAL CB C 13 32.149 0.04 . . . . . . . 677 VAL CB . 27847 1 363 . 1 1 78 78 VAL N N 15 127.483 0.04 . . . . . . . 677 VAL N . 27847 1 364 . 1 1 79 79 PHE H H 1 9.142 0.00 . . . . . . . 678 PHE H . 27847 1 365 . 1 1 79 79 PHE C C 13 172.199 0.01 . . . . . . . 678 PHE C . 27847 1 366 . 1 1 79 79 PHE CA C 13 55.440 0.01 . . . . . . . 678 PHE CA . 27847 1 367 . 1 1 79 79 PHE CB C 13 42.027 0.03 . . . . . . . 678 PHE CB . 27847 1 368 . 1 1 79 79 PHE N N 15 125.197 0.05 . . . . . . . 678 PHE N . 27847 1 369 . 1 1 80 80 SER H H 1 8.452 0.00 . . . . . . . 679 SER H . 27847 1 370 . 1 1 80 80 SER C C 13 175.324 0.01 . . . . . . . 679 SER C . 27847 1 371 . 1 1 80 80 SER CA C 13 56.242 0.02 . . . . . . . 679 SER CA . 27847 1 372 . 1 1 80 80 SER CB C 13 66.148 0.02 . . . . . . . 679 SER CB . 27847 1 373 . 1 1 80 80 SER N N 15 114.163 0.01 . . . . . . . 679 SER N . 27847 1 374 . 1 1 81 81 THR H H 1 8.480 0.00 . . . . . . . 680 THR H . 27847 1 375 . 1 1 81 81 THR C C 13 178.166 0.01 . . . . . . . 680 THR C . 27847 1 376 . 1 1 81 81 THR CA C 13 60.957 0.01 . . . . . . . 680 THR CA . 27847 1 377 . 1 1 81 81 THR CB C 13 70.382 0.02 . . . . . . . 680 THR CB . 27847 1 378 . 1 1 81 81 THR N N 15 112.602 0.02 . . . . . . . 680 THR N . 27847 1 379 . 1 1 82 82 SER H H 1 9.305 0.00 . . . . . . . 681 SER H . 27847 1 380 . 1 1 82 82 SER C C 13 175.104 0.01 . . . . . . . 681 SER C . 27847 1 381 . 1 1 82 82 SER CA C 13 61.883 0.06 . . . . . . . 681 SER CA . 27847 1 382 . 1 1 82 82 SER CB C 13 62.885 0.01 . . . . . . . 681 SER CB . 27847 1 383 . 1 1 82 82 SER N N 15 117.871 0.02 . . . . . . . 681 SER N . 27847 1 384 . 1 1 83 83 ASP H H 1 8.075 0.01 . . . . . . . 682 ASP H . 27847 1 385 . 1 1 83 83 ASP C C 13 177.170 0.01 . . . . . . . 682 ASP C . 27847 1 386 . 1 1 83 83 ASP CA C 13 53.362 0.02 . . . . . . . 682 ASP CA . 27847 1 387 . 1 1 83 83 ASP CB C 13 39.890 0.02 . . . . . . . 682 ASP CB . 27847 1 388 . 1 1 83 83 ASP N N 15 118.665 0.00 . . . . . . . 682 ASP N . 27847 1 389 . 1 1 84 84 GLY H H 1 7.913 0.00 . . . . . . . 683 GLY H . 27847 1 390 . 1 1 84 84 GLY C C 13 174.514 0.01 . . . . . . . 683 GLY C . 27847 1 391 . 1 1 84 84 GLY CA C 13 45.455 0.01 . . . . . . . 683 GLY CA . 27847 1 392 . 1 1 84 84 GLY N N 15 108.105 0.02 . . . . . . . 683 GLY N . 27847 1 393 . 1 1 85 85 LYS H H 1 7.220 0.00 . . . . . . . 684 LYS H . 27847 1 394 . 1 1 85 85 LYS C C 13 174.741 0.01 . . . . . . . 684 LYS C . 27847 1 395 . 1 1 85 85 LYS CA C 13 55.577 0.01 . . . . . . . 684 LYS CA . 27847 1 396 . 1 1 85 85 LYS CB C 13 31.121 0.02 . . . . . . . 684 LYS CB . 27847 1 397 . 1 1 85 85 LYS N N 15 122.754 0.03 . . . . . . . 684 LYS N . 27847 1 398 . 1 1 86 86 GLU H H 1 7.543 0.00 . . . . . . . 685 GLU H . 27847 1 399 . 1 1 86 86 GLU C C 13 175.240 0.02 . . . . . . . 685 GLU C . 27847 1 400 . 1 1 86 86 GLU CA C 13 54.889 0.03 . . . . . . . 685 GLU CA . 27847 1 401 . 1 1 86 86 GLU CB C 13 31.942 0.03 . . . . . . . 685 GLU CB . 27847 1 402 . 1 1 86 86 GLU N N 15 120.628 0.02 . . . . . . . 685 GLU N . 27847 1 403 . 1 1 87 87 TYR H H 1 8.305 0.00 . . . . . . . 686 TYR H . 27847 1 404 . 1 1 87 87 TYR C C 13 173.174 0.01 . . . . . . . 686 TYR C . 27847 1 405 . 1 1 87 87 TYR CA C 13 56.857 0.04 . . . . . . . 686 TYR CA . 27847 1 406 . 1 1 87 87 TYR CB C 13 42.704 0.03 . . . . . . . 686 TYR CB . 27847 1 407 . 1 1 87 87 TYR N N 15 121.585 0.04 . . . . . . . 686 TYR N . 27847 1 408 . 1 1 88 88 THR H H 1 8.739 0.00 . . . . . . . 687 THR H . 27847 1 409 . 1 1 88 88 THR C C 13 174.226 0.01 . . . . . . . 687 THR C . 27847 1 410 . 1 1 88 88 THR CA C 13 61.897 0.01 . . . . . . . 687 THR CA . 27847 1 411 . 1 1 88 88 THR CB C 13 71.074 0.00 . . . . . . . 687 THR CB . 27847 1 412 . 1 1 88 88 THR N N 15 113.472 0.03 . . . . . . . 687 THR N . 27847 1 413 . 1 1 89 89 TYR H H 1 10.372 0.00 . . . . . . . 688 TYR H . 27847 1 414 . 1 1 89 89 TYR C C 13 174.658 0.00 . . . . . . . 688 TYR C . 27847 1 415 . 1 1 89 89 TYR CA C 13 54.663 0.00 . . . . . . . 688 TYR CA . 27847 1 416 . 1 1 89 89 TYR CB C 13 41.250 0.00 . . . . . . . 688 TYR CB . 27847 1 417 . 1 1 89 89 TYR N N 15 129.203 0.02 . . . . . . . 688 TYR N . 27847 1 418 . 1 1 90 90 PRO C C 13 178.111 0.00 . . . . . . . 689 PRO C . 27847 1 419 . 1 1 90 90 PRO CA C 13 64.347 0.01 . . . . . . . 689 PRO CA . 27847 1 420 . 1 1 90 90 PRO CB C 13 33.656 0.02 . . . . . . . 689 PRO CB . 27847 1 421 . 1 1 91 91 ASP H H 1 8.794 0.00 . . . . . . . 690 ASP H . 27847 1 422 . 1 1 91 91 ASP C C 13 178.675 0.00 . . . . . . . 690 ASP C . 27847 1 423 . 1 1 91 91 ASP CA C 13 58.954 0.01 . . . . . . . 690 ASP CA . 27847 1 424 . 1 1 91 91 ASP CB C 13 39.569 0.02 . . . . . . . 690 ASP CB . 27847 1 425 . 1 1 91 91 ASP N N 15 121.093 0.01 . . . . . . . 690 ASP N . 27847 1 426 . 1 1 92 92 SER H H 1 9.263 0.00 . . . . . . . 691 SER H . 27847 1 427 . 1 1 92 92 SER C C 13 174.474 0.01 . . . . . . . 691 SER C . 27847 1 428 . 1 1 92 92 SER CA C 13 62.410 0.02 . . . . . . . 691 SER CA . 27847 1 429 . 1 1 92 92 SER CB C 13 63.979 0.02 . . . . . . . 691 SER CB . 27847 1 430 . 1 1 92 92 SER N N 15 114.051 0.01 . . . . . . . 691 SER N . 27847 1 431 . 1 1 93 93 LEU H H 1 8.259 0.01 . . . . . . . 692 LEU H . 27847 1 432 . 1 1 93 93 LEU C C 13 176.696 0.01 . . . . . . . 692 LEU C . 27847 1 433 . 1 1 93 93 LEU CA C 13 56.814 0.01 . . . . . . . 692 LEU CA . 27847 1 434 . 1 1 93 93 LEU CB C 13 40.172 0.03 . . . . . . . 692 LEU CB . 27847 1 435 . 1 1 93 93 LEU N N 15 118.037 0.08 . . . . . . . 692 LEU N . 27847 1 436 . 1 1 94 94 GLU H H 1 7.093 0.00 . . . . . . . 693 GLU H . 27847 1 437 . 1 1 94 94 GLU C C 13 177.072 0.01 . . . . . . . 693 GLU C . 27847 1 438 . 1 1 94 94 GLU CA C 13 56.179 0.00 . . . . . . . 693 GLU CA . 27847 1 439 . 1 1 94 94 GLU CB C 13 29.613 0.02 . . . . . . . 693 GLU CB . 27847 1 440 . 1 1 94 94 GLU N N 15 116.689 0.01 . . . . . . . 693 GLU N . 27847 1 441 . 1 1 95 95 GLU H H 1 7.305 0.00 . . . . . . . 694 GLU H . 27847 1 442 . 1 1 95 95 GLU C C 13 177.567 0.01 . . . . . . . 694 GLU C . 27847 1 443 . 1 1 95 95 GLU CA C 13 55.601 0.02 . . . . . . . 694 GLU CA . 27847 1 444 . 1 1 95 95 GLU CB C 13 29.704 0.03 . . . . . . . 694 GLU CB . 27847 1 445 . 1 1 95 95 GLU N N 15 118.980 0.01 . . . . . . . 694 GLU N . 27847 1 446 . 1 1 96 96 GLU H H 1 9.009 0.00 . . . . . . . 695 GLU H . 27847 1 447 . 1 1 96 96 GLU C C 13 173.166 0.01 . . . . . . . 695 GLU C . 27847 1 448 . 1 1 96 96 GLU CA C 13 58.156 0.02 . . . . . . . 695 GLU CA . 27847 1 449 . 1 1 96 96 GLU CB C 13 29.666 0.02 . . . . . . . 695 GLU CB . 27847 1 450 . 1 1 96 96 GLU N N 15 121.323 0.00 . . . . . . . 695 GLU N . 27847 1 451 . 1 1 97 97 TYR H H 1 6.612 0.01 . . . . . . . 696 TYR H . 27847 1 452 . 1 1 97 97 TYR C C 13 170.530 0.00 . . . . . . . 696 TYR C . 27847 1 453 . 1 1 97 97 TYR CA C 13 52.730 0.00 . . . . . . . 696 TYR CA . 27847 1 454 . 1 1 97 97 TYR CB C 13 38.401 0.00 . . . . . . . 696 TYR CB . 27847 1 455 . 1 1 97 97 TYR N N 15 113.390 0.02 . . . . . . . 696 TYR N . 27847 1 456 . 1 1 99 99 PRO C C 13 176.019 0.00 . . . . . . . 698 PRO C . 27847 1 457 . 1 1 99 99 PRO CA C 13 64.217 0.00 . . . . . . . 698 PRO CA . 27847 1 458 . 1 1 99 99 PRO CB C 13 30.892 0.02 . . . . . . . 698 PRO CB . 27847 1 459 . 1 1 100 100 TRP H H 1 6.050 0.00 . . . . . . . 699 TRP H . 27847 1 460 . 1 1 100 100 TRP HE1 H 1 10.457 0.00 . . . . . . . 699 TRP HE1 . 27847 1 461 . 1 1 100 100 TRP C C 13 176.124 0.02 . . . . . . . 699 TRP C . 27847 1 462 . 1 1 100 100 TRP CA C 13 57.788 0.01 . . . . . . . 699 TRP CA . 27847 1 463 . 1 1 100 100 TRP CB C 13 27.032 0.02 . . . . . . . 699 TRP CB . 27847 1 464 . 1 1 100 100 TRP N N 15 115.939 0.01 . . . . . . . 699 TRP N . 27847 1 465 . 1 1 100 100 TRP NE1 N 15 133.648 0.00 . . . . . . . 699 TRP NE1 . 27847 1 466 . 1 1 101 101 LEU H H 1 6.756 0.01 . . . . . . . 700 LEU H . 27847 1 467 . 1 1 101 101 LEU C C 13 177.667 0.01 . . . . . . . 700 LEU C . 27847 1 468 . 1 1 101 101 LEU CA C 13 54.424 0.02 . . . . . . . 700 LEU CA . 27847 1 469 . 1 1 101 101 LEU CB C 13 41.641 0.02 . . . . . . . 700 LEU CB . 27847 1 470 . 1 1 101 101 LEU N N 15 123.561 0.01 . . . . . . . 700 LEU N . 27847 1 471 . 1 1 102 102 THR H H 1 8.599 0.01 . . . . . . . 701 THR H . 27847 1 472 . 1 1 102 102 THR C C 13 175.152 0.01 . . . . . . . 701 THR C . 27847 1 473 . 1 1 102 102 THR CA C 13 61.037 0.01 . . . . . . . 701 THR CA . 27847 1 474 . 1 1 102 102 THR CB C 13 70.999 0.02 . . . . . . . 701 THR CB . 27847 1 475 . 1 1 102 102 THR N N 15 112.919 0.03 . . . . . . . 701 THR N . 27847 1 476 . 1 1 103 103 GLU H H 1 8.501 0.00 . . . . . . . 702 GLU H . 27847 1 477 . 1 1 103 103 GLU C C 13 178.587 0.01 . . . . . . . 702 GLU C . 27847 1 478 . 1 1 103 103 GLU CA C 13 59.050 0.03 . . . . . . . 702 GLU CA . 27847 1 479 . 1 1 103 103 GLU CB C 13 29.131 0.02 . . . . . . . 702 GLU CB . 27847 1 480 . 1 1 103 103 GLU N N 15 120.871 0.01 . . . . . . . 702 GLU N . 27847 1 481 . 1 1 104 104 LYS H H 1 7.974 0.00 . . . . . . . 703 LYS H . 27847 1 482 . 1 1 104 104 LYS C C 13 180.003 0.01 . . . . . . . 703 LYS C . 27847 1 483 . 1 1 104 104 LYS CA C 13 58.823 0.04 . . . . . . . 703 LYS CA . 27847 1 484 . 1 1 104 104 LYS CB C 13 31.887 0.02 . . . . . . . 703 LYS CB . 27847 1 485 . 1 1 104 104 LYS N N 15 118.525 0.00 . . . . . . . 703 LYS N . 27847 1 486 . 1 1 105 105 GLU H H 1 7.733 0.00 . . . . . . . 704 GLU H . 27847 1 487 . 1 1 105 105 GLU C C 13 178.948 0.01 . . . . . . . 704 GLU C . 27847 1 488 . 1 1 105 105 GLU CA C 13 58.503 0.01 . . . . . . . 704 GLU CA . 27847 1 489 . 1 1 105 105 GLU CB C 13 30.624 0.02 . . . . . . . 704 GLU CB . 27847 1 490 . 1 1 105 105 GLU N N 15 119.922 0.03 . . . . . . . 704 GLU N . 27847 1 491 . 1 1 106 106 ALA H H 1 7.803 0.00 . . . . . . . 705 ALA H . 27847 1 492 . 1 1 106 106 ALA C C 13 176.997 0.01 . . . . . . . 705 ALA C . 27847 1 493 . 1 1 106 106 ALA CA C 13 53.056 0.01 . . . . . . . 705 ALA CA . 27847 1 494 . 1 1 106 106 ALA CB C 13 17.046 0.02 . . . . . . . 705 ALA CB . 27847 1 495 . 1 1 106 106 ALA N N 15 120.849 0.01 . . . . . . . 705 ALA N . 27847 1 496 . 1 1 107 107 MET H H 1 7.004 0.01 . . . . . . . 706 MET H . 27847 1 497 . 1 1 107 107 MET C C 13 175.561 0.01 . . . . . . . 706 MET C . 27847 1 498 . 1 1 107 107 MET CA C 13 56.183 0.02 . . . . . . . 706 MET CA . 27847 1 499 . 1 1 107 107 MET CB C 13 31.621 0.00 . . . . . . . 706 MET CB . 27847 1 500 . 1 1 107 107 MET CG C 13 31.693 0.00 . . . . . . . 706 MET CG . 27847 1 501 . 1 1 107 107 MET N N 15 115.687 0.01 . . . . . . . 706 MET N . 27847 1 502 . 1 1 108 108 ASN H H 1 7.277 0.00 . . . . . . . 707 ASN H . 27847 1 503 . 1 1 108 108 ASN C C 13 176.215 0.01 . . . . . . . 707 ASN C . 27847 1 504 . 1 1 108 108 ASN CA C 13 52.038 0.02 . . . . . . . 707 ASN CA . 27847 1 505 . 1 1 108 108 ASN CB C 13 38.972 0.02 . . . . . . . 707 ASN CB . 27847 1 506 . 1 1 108 108 ASN N N 15 118.378 0.01 . . . . . . . 707 ASN N . 27847 1 507 . 1 1 109 109 GLU H H 1 9.085 0.01 . . . . . . . 708 GLU H . 27847 1 508 . 1 1 109 109 GLU C C 13 178.576 0.00 . . . . . . . 708 GLU C . 27847 1 509 . 1 1 109 109 GLU CA C 13 59.800 0.03 . . . . . . . 708 GLU CA . 27847 1 510 . 1 1 109 109 GLU CB C 13 29.356 0.03 . . . . . . . 708 GLU CB . 27847 1 511 . 1 1 109 109 GLU N N 15 126.682 0.04 . . . . . . . 708 GLU N . 27847 1 512 . 1 1 110 110 GLU H H 1 8.634 0.00 . . . . . . . 709 GLU H . 27847 1 513 . 1 1 110 110 GLU C C 13 179.195 0.01 . . . . . . . 709 GLU C . 27847 1 514 . 1 1 110 110 GLU CA C 13 59.350 0.02 . . . . . . . 709 GLU CA . 27847 1 515 . 1 1 110 110 GLU CB C 13 28.720 0.02 . . . . . . . 709 GLU CB . 27847 1 516 . 1 1 110 110 GLU N N 15 118.057 0.02 . . . . . . . 709 GLU N . 27847 1 517 . 1 1 111 111 ASN H H 1 8.014 0.00 . . . . . . . 710 ASN H . 27847 1 518 . 1 1 111 111 ASN C C 13 175.531 0.01 . . . . . . . 710 ASN C . 27847 1 519 . 1 1 111 111 ASN CA C 13 53.859 0.01 . . . . . . . 710 ASN CA . 27847 1 520 . 1 1 111 111 ASN CB C 13 38.319 0.02 . . . . . . . 710 ASN CB . 27847 1 521 . 1 1 111 111 ASN N N 15 115.107 0.00 . . . . . . . 710 ASN N . 27847 1 522 . 1 1 112 112 ARG H H 1 7.950 0.00 . . . . . . . 711 ARG H . 27847 1 523 . 1 1 112 112 ARG C C 13 174.740 0.01 . . . . . . . 711 ARG C . 27847 1 524 . 1 1 112 112 ARG CA C 13 57.309 0.01 . . . . . . . 711 ARG CA . 27847 1 525 . 1 1 112 112 ARG CB C 13 30.937 0.02 . . . . . . . 711 ARG CB . 27847 1 526 . 1 1 112 112 ARG N N 15 117.620 0.02 . . . . . . . 711 ARG N . 27847 1 527 . 1 1 113 113 PHE H H 1 7.407 0.00 . . . . . . . 712 PHE H . 27847 1 528 . 1 1 113 113 PHE C C 13 176.261 0.01 . . . . . . . 712 PHE C . 27847 1 529 . 1 1 113 113 PHE CA C 13 57.956 0.02 . . . . . . . 712 PHE CA . 27847 1 530 . 1 1 113 113 PHE CB C 13 39.999 0.02 . . . . . . . 712 PHE CB . 27847 1 531 . 1 1 113 113 PHE N N 15 118.094 0.01 . . . . . . . 712 PHE N . 27847 1 532 . 1 1 114 114 VAL H H 1 9.506 0.00 . . . . . . . 713 VAL H . 27847 1 533 . 1 1 114 114 VAL C C 13 174.639 0.01 . . . . . . . 713 VAL C . 27847 1 534 . 1 1 114 114 VAL CA C 13 59.038 0.02 . . . . . . . 713 VAL CA . 27847 1 535 . 1 1 114 114 VAL CB C 13 34.839 0.03 . . . . . . . 713 VAL CB . 27847 1 536 . 1 1 114 114 VAL N N 15 117.742 0.00 . . . . . . . 713 VAL N . 27847 1 537 . 1 1 115 115 THR H H 1 8.536 0.00 . . . . . . . 714 THR H . 27847 1 538 . 1 1 115 115 THR C C 13 174.078 0.01 . . . . . . . 714 THR C . 27847 1 539 . 1 1 115 115 THR CA C 13 61.509 0.01 . . . . . . . 714 THR CA . 27847 1 540 . 1 1 115 115 THR CB C 13 69.917 0.02 . . . . . . . 714 THR CB . 27847 1 541 . 1 1 115 115 THR N N 15 118.162 0.01 . . . . . . . 714 THR N . 27847 1 542 . 1 1 116 116 LEU H H 1 9.230 0.00 . . . . . . . 715 LEU H . 27847 1 543 . 1 1 116 116 LEU C C 13 176.063 0.01 . . . . . . . 715 LEU C . 27847 1 544 . 1 1 116 116 LEU CA C 13 54.598 0.02 . . . . . . . 715 LEU CA . 27847 1 545 . 1 1 116 116 LEU CB C 13 44.292 0.03 . . . . . . . 715 LEU CB . 27847 1 546 . 1 1 116 116 LEU N N 15 128.004 0.01 . . . . . . . 715 LEU N . 27847 1 547 . 1 1 117 117 ASP H H 1 9.758 0.00 . . . . . . . 716 ASP H . 27847 1 548 . 1 1 117 117 ASP C C 13 176.649 0.00 . . . . . . . 716 ASP C . 27847 1 549 . 1 1 117 117 ASP CA C 13 55.713 0.02 . . . . . . . 716 ASP CA . 27847 1 550 . 1 1 117 117 ASP CB C 13 39.606 0.02 . . . . . . . 716 ASP CB . 27847 1 551 . 1 1 117 117 ASP N N 15 128.255 0.02 . . . . . . . 716 ASP N . 27847 1 552 . 1 1 118 118 GLY H H 1 8.464 0.01 . . . . . . . 717 GLY H . 27847 1 553 . 1 1 118 118 GLY C C 13 173.742 0.01 . . . . . . . 717 GLY C . 27847 1 554 . 1 1 118 118 GLY CA C 13 45.725 0.02 . . . . . . . 717 GLY CA . 27847 1 555 . 1 1 118 118 GLY N N 15 103.351 0.01 . . . . . . . 717 GLY N . 27847 1 556 . 1 1 119 119 GLN H H 1 7.938 0.00 . . . . . . . 718 GLN H . 27847 1 557 . 1 1 119 119 GLN C C 13 173.622 0.01 . . . . . . . 718 GLN C . 27847 1 558 . 1 1 119 119 GLN CA C 13 54.040 0.03 . . . . . . . 718 GLN CA . 27847 1 559 . 1 1 119 119 GLN CB C 13 31.902 0.02 . . . . . . . 718 GLN CB . 27847 1 560 . 1 1 119 119 GLN N N 15 121.273 0.01 . . . . . . . 718 GLN N . 27847 1 561 . 1 1 120 120 GLN H H 1 8.275 0.00 . . . . . . . 719 GLN H . 27847 1 562 . 1 1 120 120 GLN C C 13 175.963 0.00 . . . . . . . 719 GLN C . 27847 1 563 . 1 1 120 120 GLN CA C 13 55.346 0.02 . . . . . . . 719 GLN CA . 27847 1 564 . 1 1 120 120 GLN CB C 13 30.971 0.02 . . . . . . . 719 GLN CB . 27847 1 565 . 1 1 120 120 GLN N N 15 120.803 0.00 . . . . . . . 719 GLN N . 27847 1 566 . 1 1 121 121 PHE H H 1 9.544 0.00 . . . . . . . 720 PHE H . 27847 1 567 . 1 1 121 121 PHE C C 13 173.837 0.01 . . . . . . . 720 PHE C . 27847 1 568 . 1 1 121 121 PHE CA C 13 57.183 0.02 . . . . . . . 720 PHE CA . 27847 1 569 . 1 1 121 121 PHE CB C 13 44.199 0.03 . . . . . . . 720 PHE CB . 27847 1 570 . 1 1 121 121 PHE N N 15 123.891 0.01 . . . . . . . 720 PHE N . 27847 1 571 . 1 1 122 122 TYR H H 1 8.848 0.00 . . . . . . . 721 TYR H . 27847 1 572 . 1 1 122 122 TYR C C 13 174.882 0.01 . . . . . . . 721 TYR C . 27847 1 573 . 1 1 122 122 TYR CA C 13 56.388 0.01 . . . . . . . 721 TYR CA . 27847 1 574 . 1 1 122 122 TYR CB C 13 38.617 0.03 . . . . . . . 721 TYR CB . 27847 1 575 . 1 1 122 122 TYR N N 15 124.080 0.01 . . . . . . . 721 TYR N . 27847 1 576 . 1 1 123 123 TRP H H 1 8.532 0.00 . . . . . . . 722 TRP H . 27847 1 577 . 1 1 123 123 TRP C C 13 172.599 0.00 . . . . . . . 722 TRP C . 27847 1 578 . 1 1 123 123 TRP CA C 13 62.734 0.00 . . . . . . . 722 TRP CA . 27847 1 579 . 1 1 123 123 TRP CB C 13 26.730 0.00 . . . . . . . 722 TRP CB . 27847 1 580 . 1 1 123 123 TRP N N 15 127.764 0.01 . . . . . . . 722 TRP N . 27847 1 581 . 1 1 124 124 PRO C C 13 178.338 0.00 . . . . . . . 723 PRO C . 27847 1 582 . 1 1 124 124 PRO CA C 13 65.524 0.01 . . . . . . . 723 PRO CA . 27847 1 583 . 1 1 124 124 PRO CB C 13 31.295 0.00 . . . . . . . 723 PRO CB . 27847 1 584 . 1 1 125 125 VAL H H 1 7.254 0.00 . . . . . . . 724 VAL H . 27847 1 585 . 1 1 125 125 VAL C C 13 176.813 0.01 . . . . . . . 724 VAL C . 27847 1 586 . 1 1 125 125 VAL CA C 13 60.299 0.01 . . . . . . . 724 VAL CA . 27847 1 587 . 1 1 125 125 VAL CB C 13 31.314 0.03 . . . . . . . 724 VAL CB . 27847 1 588 . 1 1 125 125 VAL N N 15 108.440 0.01 . . . . . . . 724 VAL N . 27847 1 589 . 1 1 126 126 MET H H 1 7.421 0.00 . . . . . . . 725 MET H . 27847 1 590 . 1 1 126 126 MET C C 13 175.929 0.01 . . . . . . . 725 MET C . 27847 1 591 . 1 1 126 126 MET CA C 13 56.059 0.02 . . . . . . . 725 MET CA . 27847 1 592 . 1 1 126 126 MET CB C 13 36.168 0.02 . . . . . . . 725 MET CB . 27847 1 593 . 1 1 126 126 MET N N 15 123.780 0.03 . . . . . . . 725 MET N . 27847 1 594 . 1 1 127 127 ASN H H 1 8.156 0.00 . . . . . . . 726 ASN H . 27847 1 595 . 1 1 127 127 ASN C C 13 175.021 0.01 . . . . . . . 726 ASN C . 27847 1 596 . 1 1 127 127 ASN CA C 13 51.575 0.03 . . . . . . . 726 ASN CA . 27847 1 597 . 1 1 127 127 ASN CB C 13 38.068 0.02 . . . . . . . 726 ASN CB . 27847 1 598 . 1 1 127 127 ASN N N 15 119.520 0.03 . . . . . . . 726 ASN N . 27847 1 599 . 1 1 128 128 HIS H H 1 8.713 0.00 . . . . . . . 727 HIS H . 27847 1 600 . 1 1 128 128 HIS C C 13 176.497 0.00 . . . . . . . 727 HIS C . 27847 1 601 . 1 1 128 128 HIS CA C 13 60.006 0.02 . . . . . . . 727 HIS CA . 27847 1 602 . 1 1 128 128 HIS CB C 13 30.924 0.02 . . . . . . . 727 HIS CB . 27847 1 603 . 1 1 128 128 HIS N N 15 118.057 0.01 . . . . . . . 727 HIS N . 27847 1 604 . 1 1 129 129 LYS H H 1 7.958 0.00 . . . . . . . 728 LYS H . 27847 1 605 . 1 1 129 129 LYS C C 13 177.945 0.03 . . . . . . . 728 LYS C . 27847 1 606 . 1 1 129 129 LYS CA C 13 59.747 0.02 . . . . . . . 728 LYS CA . 27847 1 607 . 1 1 129 129 LYS CB C 13 31.225 0.02 . . . . . . . 728 LYS CB . 27847 1 608 . 1 1 129 129 LYS N N 15 120.419 0.05 . . . . . . . 728 LYS N . 27847 1 609 . 1 1 130 130 ASN H H 1 8.104 0.00 . . . . . . . 729 ASN H . 27847 1 610 . 1 1 130 130 ASN C C 13 178.002 0.07 . . . . . . . 729 ASN C . 27847 1 611 . 1 1 130 130 ASN CA C 13 55.587 0.01 . . . . . . . 729 ASN CA . 27847 1 612 . 1 1 130 130 ASN CB C 13 36.896 0.02 . . . . . . . 729 ASN CB . 27847 1 613 . 1 1 130 130 ASN N N 15 116.654 0.00 . . . . . . . 729 ASN N . 27847 1 614 . 1 1 131 131 LYS H H 1 8.172 0.00 . . . . . . . 730 LYS H . 27847 1 615 . 1 1 131 131 LYS C C 13 178.103 0.00 . . . . . . . 730 LYS C . 27847 1 616 . 1 1 131 131 LYS CA C 13 60.613 0.01 . . . . . . . 730 LYS CA . 27847 1 617 . 1 1 131 131 LYS CB C 13 34.651 0.02 . . . . . . . 730 LYS CB . 27847 1 618 . 1 1 131 131 LYS N N 15 121.494 0.01 . . . . . . . 730 LYS N . 27847 1 619 . 1 1 132 132 PHE H H 1 8.474 0.00 . . . . . . . 731 PHE H . 27847 1 620 . 1 1 132 132 PHE C C 13 177.636 0.01 . . . . . . . 731 PHE C . 27847 1 621 . 1 1 132 132 PHE CA C 13 62.467 0.01 . . . . . . . 731 PHE CA . 27847 1 622 . 1 1 132 132 PHE CB C 13 39.882 0.03 . . . . . . . 731 PHE CB . 27847 1 623 . 1 1 132 132 PHE N N 15 119.735 0.01 . . . . . . . 731 PHE N . 27847 1 624 . 1 1 133 133 MET H H 1 8.378 0.00 . . . . . . . 732 MET H . 27847 1 625 . 1 1 133 133 MET C C 13 179.329 0.01 . . . . . . . 732 MET C . 27847 1 626 . 1 1 133 133 MET CA C 13 57.103 0.02 . . . . . . . 732 MET CA . 27847 1 627 . 1 1 133 133 MET CB C 13 30.140 0.03 . . . . . . . 732 MET CB . 27847 1 628 . 1 1 133 133 MET N N 15 116.260 0.01 . . . . . . . 732 MET N . 27847 1 629 . 1 1 134 134 ALA H H 1 8.619 0.00 . . . . . . . 733 ALA H . 27847 1 630 . 1 1 134 134 ALA C C 13 181.098 0.00 . . . . . . . 733 ALA C . 27847 1 631 . 1 1 134 134 ALA CA C 13 55.635 0.00 . . . . . . . 733 ALA CA . 27847 1 632 . 1 1 134 134 ALA CB C 13 17.762 0.00 . . . . . . . 733 ALA CB . 27847 1 633 . 1 1 134 134 ALA N N 15 123.194 0.03 . . . . . . . 733 ALA N . 27847 1 634 . 1 1 135 135 ILE H H 1 8.284 0.01 . . . . . . . 734 ILE H . 27847 1 635 . 1 1 135 135 ILE C C 13 177.959 0.00 . . . . . . . 734 ILE C . 27847 1 636 . 1 1 135 135 ILE CA C 13 66.280 0.01 . . . . . . . 734 ILE CA . 27847 1 637 . 1 1 135 135 ILE CB C 13 37.552 0.03 . . . . . . . 734 ILE CB . 27847 1 638 . 1 1 135 135 ILE N N 15 121.412 0.06 . . . . . . . 734 ILE N . 27847 1 639 . 1 1 136 136 LEU H H 1 7.891 0.00 . . . . . . . 735 LEU H . 27847 1 640 . 1 1 136 136 LEU C C 13 181.104 0.01 . . . . . . . 735 LEU C . 27847 1 641 . 1 1 136 136 LEU CA C 13 58.772 0.03 . . . . . . . 735 LEU CA . 27847 1 642 . 1 1 136 136 LEU CB C 13 40.323 0.03 . . . . . . . 735 LEU CB . 27847 1 643 . 1 1 136 136 LEU N N 15 118.543 0.01 . . . . . . . 735 LEU N . 27847 1 644 . 1 1 137 137 GLN H H 1 8.320 0.00 . . . . . . . 736 GLN H . 27847 1 645 . 1 1 137 137 GLN C C 13 177.631 0.01 . . . . . . . 736 GLN C . 27847 1 646 . 1 1 137 137 GLN CA C 13 58.255 0.02 . . . . . . . 736 GLN CA . 27847 1 647 . 1 1 137 137 GLN CB C 13 28.267 0.03 . . . . . . . 736 GLN CB . 27847 1 648 . 1 1 137 137 GLN N N 15 116.496 0.02 . . . . . . . 736 GLN N . 27847 1 649 . 1 1 138 138 HIS H H 1 7.773 0.00 . . . . . . . 737 HIS H . 27847 1 650 . 1 1 138 138 HIS C C 13 174.832 0.01 . . . . . . . 737 HIS C . 27847 1 651 . 1 1 138 138 HIS CA C 13 58.242 0.01 . . . . . . . 737 HIS CA . 27847 1 652 . 1 1 138 138 HIS CB C 13 27.299 0.05 . . . . . . . 737 HIS CB . 27847 1 653 . 1 1 138 138 HIS N N 15 119.263 0.01 . . . . . . . 737 HIS N . 27847 1 654 . 1 1 139 139 HIS H H 1 7.273 0.00 . . . . . . . 738 HIS H . 27847 1 655 . 1 1 139 139 HIS C C 13 172.932 0.01 . . . . . . . 738 HIS C . 27847 1 656 . 1 1 139 139 HIS CA C 13 55.912 0.02 . . . . . . . 738 HIS CA . 27847 1 657 . 1 1 139 139 HIS CB C 13 29.901 0.05 . . . . . . . 738 HIS CB . 27847 1 658 . 1 1 139 139 HIS N N 15 118.607 0.02 . . . . . . . 738 HIS N . 27847 1 659 . 1 1 140 140 GLN H H 1 7.216 0.00 . . . . . . . 739 GLN H . 27847 1 660 . 1 1 140 140 GLN C C 13 180.775 0.00 . . . . . . . 739 GLN C . 27847 1 661 . 1 1 140 140 GLN CA C 13 57.682 0.00 . . . . . . . 739 GLN CA . 27847 1 662 . 1 1 140 140 GLN CB C 13 29.831 0.00 . . . . . . . 739 GLN CB . 27847 1 663 . 1 1 140 140 GLN N N 15 124.753 0.01 . . . . . . . 739 GLN N . 27847 1 stop_ save_