data_52863 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52863 _Entry.Title ; Chemical Shift Assignments of Eps15 IDR 648-780 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-01-15 _Entry.Accession_date 2025-01-15 _Entry.Last_release_date 2025-01-16 _Entry.Original_release_date 2025-01-16 _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 . _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 Andromachi Papagiannoula . . . 0000-0002-0767-5129 52863 2 Ida Vedel . M. . 0000-0002-3465-4796 52863 3 Kathrin Motzny . . . . 52863 4 Maud Tengo . . . . 52863 5 Arbesa Saiti . . . . 52863 6 Sigrid Milles . . . 0000-0001-9362-9606 52863 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52863 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 52863 '15N chemical shifts' 70 52863 '1H chemical shifts' 70 52863 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-08-18 . original BMRB . 52863 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52864 'Chemical Shift Assignments of Eps15 IDR 569-671' 52863 BMRB 52866 'Chemical Shift Assignments of Eps15 IDR 481-581' 52863 BMRB 52867 'Chemical Shift Assignments of Eps15 IDR 761-896' 52863 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52863 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1038/s41467-025-63090-1 _Citation.Full_citation . _Citation.Title ; Promiscuous and multivalent interactions between Eps15 and partner protein Dab2 generate a complex interaction network ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Andromachi Papagiannoula . . . . 52863 1 2 Ida Vedel . M. . . 52863 1 3 Kathrin Motzny . . . . 52863 1 4 Maud Tengo . . . . 52863 1 5 Arbesa Saiti . . . . 52863 1 6 Sigrid Milles . . . . 52863 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Clathrin mediated endocytosis' 52863 1 Eps15 52863 1 'intrinsically disordered proteins' 52863 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52863 _Assembly.ID 1 _Assembly.Name 'Eps15 IDR 648-780' _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Eps15 IDR 648-780' 1 $entity_1 . . yes native no no . . . 52863 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52863 _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 ; GHMKGSDPFASDCFFRQSTD PFATSSTDPFSAANNSSITS VETLKHNDPFAPGGTVVAAS DSATDPFASVFGNESFGGGF ADFSTLSKVNNEDPFRSATS SSVSNVVITKNVFEETSVKS EDEPPALPPKIGTPTR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _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 1 645 GLY . 52863 1 2 646 HIS . 52863 1 3 647 MET . 52863 1 4 648 LYS . 52863 1 5 649 GLY . 52863 1 6 650 SER . 52863 1 7 651 ASP . 52863 1 8 652 PRO . 52863 1 9 653 PHE . 52863 1 10 654 ALA . 52863 1 11 655 SER . 52863 1 12 656 ASP . 52863 1 13 657 CYS . 52863 1 14 658 PHE . 52863 1 15 659 PHE . 52863 1 16 660 ARG . 52863 1 17 661 GLN . 52863 1 18 662 SER . 52863 1 19 663 THR . 52863 1 20 664 ASP . 52863 1 21 665 PRO . 52863 1 22 666 PHE . 52863 1 23 667 ALA . 52863 1 24 668 THR . 52863 1 25 669 SER . 52863 1 26 670 SER . 52863 1 27 671 THR . 52863 1 28 672 ASP . 52863 1 29 673 PRO . 52863 1 30 674 PHE . 52863 1 31 675 SER . 52863 1 32 676 ALA . 52863 1 33 677 ALA . 52863 1 34 678 ASN . 52863 1 35 679 ASN . 52863 1 36 680 SER . 52863 1 37 681 SER . 52863 1 38 682 ILE . 52863 1 39 683 THR . 52863 1 40 684 SER . 52863 1 41 685 VAL . 52863 1 42 686 GLU . 52863 1 43 687 THR . 52863 1 44 688 LEU . 52863 1 45 689 LYS . 52863 1 46 690 HIS . 52863 1 47 691 ASN . 52863 1 48 692 ASP . 52863 1 49 693 PRO . 52863 1 50 694 PHE . 52863 1 51 695 ALA . 52863 1 52 696 PRO . 52863 1 53 697 GLY . 52863 1 54 698 GLY . 52863 1 55 699 THR . 52863 1 56 700 VAL . 52863 1 57 701 VAL . 52863 1 58 702 ALA . 52863 1 59 703 ALA . 52863 1 60 704 SER . 52863 1 61 705 ASP . 52863 1 62 706 SER . 52863 1 63 707 ALA . 52863 1 64 708 THR . 52863 1 65 709 ASP . 52863 1 66 710 PRO . 52863 1 67 711 PHE . 52863 1 68 712 ALA . 52863 1 69 713 SER . 52863 1 70 714 VAL . 52863 1 71 715 PHE . 52863 1 72 716 GLY . 52863 1 73 717 ASN . 52863 1 74 718 GLU . 52863 1 75 719 SER . 52863 1 76 720 PHE . 52863 1 77 721 GLY . 52863 1 78 722 GLY . 52863 1 79 723 GLY . 52863 1 80 724 PHE . 52863 1 81 725 ALA . 52863 1 82 726 ASP . 52863 1 83 727 PHE . 52863 1 84 728 SER . 52863 1 85 729 THR . 52863 1 86 730 LEU . 52863 1 87 731 SER . 52863 1 88 732 LYS . 52863 1 89 733 VAL . 52863 1 90 734 ASN . 52863 1 91 735 ASN . 52863 1 92 736 GLU . 52863 1 93 737 ASP . 52863 1 94 738 PRO . 52863 1 95 739 PHE . 52863 1 96 740 ARG . 52863 1 97 741 SER . 52863 1 98 742 ALA . 52863 1 99 743 THR . 52863 1 100 744 SER . 52863 1 101 745 SER . 52863 1 102 746 SER . 52863 1 103 747 VAL . 52863 1 104 748 SER . 52863 1 105 749 ASN . 52863 1 106 750 VAL . 52863 1 107 751 VAL . 52863 1 108 752 ILE . 52863 1 109 753 THR . 52863 1 110 754 LYS . 52863 1 111 755 ASN . 52863 1 112 756 VAL . 52863 1 113 757 PHE . 52863 1 114 758 GLU . 52863 1 115 759 GLU . 52863 1 116 760 THR . 52863 1 117 761 SER . 52863 1 118 762 VAL . 52863 1 119 763 LYS . 52863 1 120 764 SER . 52863 1 121 765 GLU . 52863 1 122 766 ASP . 52863 1 123 767 GLU . 52863 1 124 768 PRO . 52863 1 125 769 PRO . 52863 1 126 770 ALA . 52863 1 127 771 LEU . 52863 1 128 772 PRO . 52863 1 129 773 PRO . 52863 1 130 774 LYS . 52863 1 131 775 ILE . 52863 1 132 776 GLY . 52863 1 133 777 THR . 52863 1 134 778 PRO . 52863 1 135 779 THR . 52863 1 136 780 ARG . 52863 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 52863 1 . HIS 2 2 52863 1 . MET 3 3 52863 1 . LYS 4 4 52863 1 . GLY 5 5 52863 1 . SER 6 6 52863 1 . ASP 7 7 52863 1 . PRO 8 8 52863 1 . PHE 9 9 52863 1 . ALA 10 10 52863 1 . SER 11 11 52863 1 . ASP 12 12 52863 1 . CYS 13 13 52863 1 . PHE 14 14 52863 1 . PHE 15 15 52863 1 . ARG 16 16 52863 1 . GLN 17 17 52863 1 . SER 18 18 52863 1 . THR 19 19 52863 1 . ASP 20 20 52863 1 . PRO 21 21 52863 1 . PHE 22 22 52863 1 . ALA 23 23 52863 1 . THR 24 24 52863 1 . SER 25 25 52863 1 . SER 26 26 52863 1 . THR 27 27 52863 1 . ASP 28 28 52863 1 . PRO 29 29 52863 1 . PHE 30 30 52863 1 . SER 31 31 52863 1 . ALA 32 32 52863 1 . ALA 33 33 52863 1 . ASN 34 34 52863 1 . ASN 35 35 52863 1 . SER 36 36 52863 1 . SER 37 37 52863 1 . ILE 38 38 52863 1 . THR 39 39 52863 1 . SER 40 40 52863 1 . VAL 41 41 52863 1 . GLU 42 42 52863 1 . THR 43 43 52863 1 . LEU 44 44 52863 1 . LYS 45 45 52863 1 . HIS 46 46 52863 1 . ASN 47 47 52863 1 . ASP 48 48 52863 1 . PRO 49 49 52863 1 . PHE 50 50 52863 1 . ALA 51 51 52863 1 . PRO 52 52 52863 1 . GLY 53 53 52863 1 . GLY 54 54 52863 1 . THR 55 55 52863 1 . VAL 56 56 52863 1 . VAL 57 57 52863 1 . ALA 58 58 52863 1 . ALA 59 59 52863 1 . SER 60 60 52863 1 . ASP 61 61 52863 1 . SER 62 62 52863 1 . ALA 63 63 52863 1 . THR 64 64 52863 1 . ASP 65 65 52863 1 . PRO 66 66 52863 1 . PHE 67 67 52863 1 . ALA 68 68 52863 1 . SER 69 69 52863 1 . VAL 70 70 52863 1 . PHE 71 71 52863 1 . GLY 72 72 52863 1 . ASN 73 73 52863 1 . GLU 74 74 52863 1 . SER 75 75 52863 1 . PHE 76 76 52863 1 . GLY 77 77 52863 1 . GLY 78 78 52863 1 . GLY 79 79 52863 1 . PHE 80 80 52863 1 . ALA 81 81 52863 1 . ASP 82 82 52863 1 . PHE 83 83 52863 1 . SER 84 84 52863 1 . THR 85 85 52863 1 . LEU 86 86 52863 1 . SER 87 87 52863 1 . LYS 88 88 52863 1 . VAL 89 89 52863 1 . ASN 90 90 52863 1 . ASN 91 91 52863 1 . GLU 92 92 52863 1 . ASP 93 93 52863 1 . PRO 94 94 52863 1 . PHE 95 95 52863 1 . ARG 96 96 52863 1 . SER 97 97 52863 1 . ALA 98 98 52863 1 . THR 99 99 52863 1 . SER 100 100 52863 1 . SER 101 101 52863 1 . SER 102 102 52863 1 . VAL 103 103 52863 1 . SER 104 104 52863 1 . ASN 105 105 52863 1 . VAL 106 106 52863 1 . VAL 107 107 52863 1 . ILE 108 108 52863 1 . THR 109 109 52863 1 . LYS 110 110 52863 1 . ASN 111 111 52863 1 . VAL 112 112 52863 1 . PHE 113 113 52863 1 . GLU 114 114 52863 1 . GLU 115 115 52863 1 . THR 116 116 52863 1 . SER 117 117 52863 1 . VAL 118 118 52863 1 . LYS 119 119 52863 1 . SER 120 120 52863 1 . GLU 121 121 52863 1 . ASP 122 122 52863 1 . GLU 123 123 52863 1 . PRO 124 124 52863 1 . PRO 125 125 52863 1 . ALA 126 126 52863 1 . LEU 127 127 52863 1 . PRO 128 128 52863 1 . PRO 129 129 52863 1 . LYS 130 130 52863 1 . ILE 131 131 52863 1 . GLY 132 132 52863 1 . THR 133 133 52863 1 . PRO 134 134 52863 1 . THR 135 135 52863 1 . ARG 136 136 52863 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 52863 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52863 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 52863 _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 . . . plasmid . . pET-28a . . . 52863 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52863 _Sample.ID 1 _Sample.Name 'Sample 1' _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 'Eps15 IDR 648-780' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 550 . . uM . . . . 52863 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52863 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52863 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52863 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52863 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 52863 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard buffer' _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' 211.6 . mM 52863 1 pH 6 . pH 52863 1 pressure 1 . atm 52863 1 temperature 298.2 . K 52863 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52863 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52863 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52863 _Software.ID 2 _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' . 52863 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52863 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52863 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52863 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52863 4 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 52863 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52863 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 1 3 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 1 4 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 1 5 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 1 6 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 1 7 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52863 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 52863 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift list Eps15 IDR 648-780' _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 water protons . . . . ppm 4.7 internal indirect 0.25144953 . . . . . 52863 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52863 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.10132911 . . . . . 52863 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 52863 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Eps15 IDR 648-780' _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' . . . 52863 1 2 '3D HNCO' . . . 52863 1 3 '3D HN(CA)CO' . . . 52863 1 4 '3D HNCA' . . . 52863 1 5 '3D HN(CO)CA' . . . 52863 1 6 '3D CBCA(CO)NH' . . . 52863 1 7 '3D HNCACB' . . . 52863 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 2 $software_2 . . 52863 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 9 9 PHE C C 13 175.8007072 . . 1 . . . . . 653 PHE C . 52863 1 2 . 1 . 1 9 9 PHE CA C 13 57.48967238 . . 1 . . . . . 653 PHE CA . 52863 1 3 . 1 . 1 9 9 PHE CB C 13 38.80964319 . . 1 . . . . . 653 PHE CB . 52863 1 4 . 1 . 1 10 10 ALA H H 1 7.683511233 0.004925744841 . 1 . . . . . 654 ALA H . 52863 1 5 . 1 . 1 10 10 ALA C C 13 177.7893515 0.06827164783 . 1 . . . . . 654 ALA C . 52863 1 6 . 1 . 1 10 10 ALA CA C 13 52.72738919 0.01524505091 . 1 . . . . . 654 ALA CA . 52863 1 7 . 1 . 1 10 10 ALA CB C 13 19.3933943 0.02289411515 . 1 . . . . . 654 ALA CB . 52863 1 8 . 1 . 1 10 10 ALA N N 15 124.8638069 0.0369551744 . 1 . . . . . 654 ALA N . 52863 1 9 . 1 . 1 11 11 SER H H 1 8.142976553 0.006029832843 . 1 . . . . . 655 SER H . 52863 1 10 . 1 . 1 11 11 SER C C 13 174.5276307 0.0314459499 . 1 . . . . . 655 SER C . 52863 1 11 . 1 . 1 11 11 SER CA C 13 58.64821177 0.01801631521 . 1 . . . . . 655 SER CA . 52863 1 12 . 1 . 1 11 11 SER CB C 13 65.93586628 1.88350871 . 1 . . . . . 655 SER CB . 52863 1 13 . 1 . 1 11 11 SER N N 15 115.3111315 0.05617248503 . 1 . . . . . 655 SER N . 52863 1 14 . 1 . 1 12 12 ASP H H 1 8.253906599 0.005747578685 . 1 . . . . . 656 ASP H . 52863 1 15 . 1 . 1 12 12 ASP C C 13 176.3523198 . . 1 . . . . . 656 ASP C . 52863 1 16 . 1 . 1 12 12 ASP CA C 13 54.55515307 . . 1 . . . . . 656 ASP CA . 52863 1 17 . 1 . 1 12 12 ASP CB C 13 41.23608528 . . 1 . . . . . 656 ASP CB . 52863 1 18 . 1 . 1 12 12 ASP N N 15 122.4650623 0.0521643006 . 1 . . . . . 656 ASP N . 52863 1 19 . 1 . 1 29 29 PRO C C 13 176.8491381 . . 1 . . . . . 673 PRO C . 52863 1 20 . 1 . 1 29 29 PRO CA C 13 63.7352598 . . 1 . . . . . 673 PRO CA . 52863 1 21 . 1 . 1 29 29 PRO CB C 13 31.88268937 . . 1 . . . . . 673 PRO CB . 52863 1 22 . 1 . 1 30 30 PHE H H 1 8.098374366 0.007643130552 . 1 . . . . . 674 PHE H . 52863 1 23 . 1 . 1 30 30 PHE C C 13 175.9635693 0.2642219441 . 1 . . . . . 674 PHE C . 52863 1 24 . 1 . 1 30 30 PHE CA C 13 57.76185056 0.2592859797 . 1 . . . . . 674 PHE CA . 52863 1 25 . 1 . 1 30 30 PHE CB C 13 38.86136651 0.0009225475601 . 1 . . . . . 674 PHE CB . 52863 1 26 . 1 . 1 30 30 PHE N N 15 118.7256636 0.06596793962 . 1 . . . . . 674 PHE N . 52863 1 27 . 1 . 1 31 31 SER H H 1 7.764387886 0.004490073296 . 1 . . . . . 675 SER H . 52863 1 28 . 1 . 1 31 31 SER C C 13 174.5735461 . . 1 . . . . . 675 SER C . 52863 1 29 . 1 . 1 31 31 SER CA C 13 58.58943556 0.0014686939 . 1 . . . . . 675 SER CA . 52863 1 30 . 1 . 1 31 31 SER CB C 13 63.87748078 0.003721386634 . 1 . . . . . 675 SER CB . 52863 1 31 . 1 . 1 31 31 SER N N 15 117.0623717 0.03071188476 . 1 . . . . . 675 SER N . 52863 1 32 . 1 . 1 32 32 ALA H H 1 8.194559914 0.004932351522 . 1 . . . . . 676 ALA H . 52863 1 33 . 1 . 1 32 32 ALA C C 13 177.815872 0.006200206322 . 1 . . . . . 676 ALA C . 52863 1 34 . 1 . 1 32 32 ALA CA C 13 52.91715614 0.006636626009 . 1 . . . . . 676 ALA CA . 52863 1 35 . 1 . 1 32 32 ALA CB C 13 19.03827037 0.004465923936 . 1 . . . . . 676 ALA CB . 52863 1 36 . 1 . 1 32 32 ALA N N 15 126.6286889 0.05350057964 . 1 . . . . . 676 ALA N . 52863 1 37 . 1 . 1 33 33 ALA H H 1 8.026513843 0.002718435902 . 1 . . . . . 677 ALA H . 52863 1 38 . 1 . 1 33 33 ALA C C 13 177.736743 0.02838155179 . 1 . . . . . 677 ALA C . 52863 1 39 . 1 . 1 33 33 ALA CA C 13 52.82105967 0.003986951109 . 1 . . . . . 677 ALA CA . 52863 1 40 . 1 . 1 33 33 ALA CB C 13 19.003453 0.01786418779 . 1 . . . . . 677 ALA CB . 52863 1 41 . 1 . 1 33 33 ALA N N 15 122.6441864 0.04849025475 . 1 . . . . . 677 ALA N . 52863 1 42 . 1 . 1 34 34 ASN H H 1 8.101197271 0.003586931046 . 1 . . . . . 678 ASN H . 52863 1 43 . 1 . 1 34 34 ASN C C 13 175.1042675 . . 1 . . . . . 678 ASN C . 52863 1 44 . 1 . 1 34 34 ASN CB C 13 38.79167926 . . 1 . . . . . 678 ASN CB . 52863 1 45 . 1 . 1 34 34 ASN N N 15 117.617221 0.0514073984 . 1 . . . . . 678 ASN N . 52863 1 46 . 1 . 1 38 38 ILE H H 1 8.000425772 0.002829610384 . 1 . . . . . 682 ILE H . 52863 1 47 . 1 . 1 38 38 ILE CB C 13 38.65883743 0.0511400565 . 1 . . . . . 682 ILE CB . 52863 1 48 . 1 . 1 38 38 ILE N N 15 122.6662991 0.02762191221 . 1 . . . . . 682 ILE N . 52863 1 49 . 1 . 1 39 39 THR H H 1 8.102213853 0.002671787142 . 1 . . . . . 683 THR H . 52863 1 50 . 1 . 1 39 39 THR CB C 13 69.77381071 0.03771330527 . 1 . . . . . 683 THR CB . 52863 1 51 . 1 . 1 39 39 THR N N 15 118.3721324 0.03502503923 . 1 . . . . . 683 THR N . 52863 1 52 . 1 . 1 40 40 SER H H 1 8.217794035 0.005416564978 . 1 . . . . . 684 SER H . 52863 1 53 . 1 . 1 40 40 SER C C 13 174.6305402 . . 1 . . . . . 684 SER C . 52863 1 54 . 1 . 1 40 40 SER CB C 13 63.87855597 0.03617941533 . 1 . . . . . 684 SER CB . 52863 1 55 . 1 . 1 40 40 SER N N 15 119.1641123 0.03085147651 . 1 . . . . . 684 SER N . 52863 1 56 . 1 . 1 41 41 VAL H H 1 8.102227822 0.002850584508 . 1 . . . . . 685 VAL H . 52863 1 57 . 1 . 1 41 41 VAL C C 13 176.4149256 0.01238129387 . 1 . . . . . 685 VAL C . 52863 1 58 . 1 . 1 41 41 VAL CA C 13 62.68851998 0.006269701457 . 1 . . . . . 685 VAL CA . 52863 1 59 . 1 . 1 41 41 VAL CB C 13 32.67455307 0.07587093888 . 1 . . . . . 685 VAL CB . 52863 1 60 . 1 . 1 41 41 VAL N N 15 122.2405814 0.03218978591 . 1 . . . . . 685 VAL N . 52863 1 61 . 1 . 1 42 42 GLU H H 1 8.381589723 0.002352814638 . 1 . . . . . 686 GLU H . 52863 1 62 . 1 . 1 42 42 GLU C C 13 176.8429156 0.008515943197 . 1 . . . . . 686 GLU C . 52863 1 63 . 1 . 1 42 42 GLU CA C 13 56.98830391 0.008480064594 . 1 . . . . . 686 GLU CA . 52863 1 64 . 1 . 1 42 42 GLU CB C 13 30.23942724 0.01101691223 . 1 . . . . . 686 GLU CB . 52863 1 65 . 1 . 1 42 42 GLU N N 15 124.4257379 0.02727809713 . 1 . . . . . 686 GLU N . 52863 1 66 . 1 . 1 43 43 THR H H 1 8.048320656 0.004082311301 . 1 . . . . . 687 THR H . 52863 1 67 . 1 . 1 43 43 THR C C 13 174.5846646 0.004155456558 . 1 . . . . . 687 THR C . 52863 1 68 . 1 . 1 43 43 THR CA C 13 62.34517526 0.002566916689 . 1 . . . . . 687 THR CA . 52863 1 69 . 1 . 1 43 43 THR CB C 13 69.6440221 0.01675351362 . 1 . . . . . 687 THR CB . 52863 1 70 . 1 . 1 43 43 THR N N 15 116.0810366 0.03025832392 . 1 . . . . . 687 THR N . 52863 1 71 . 1 . 1 44 44 LEU H H 1 8.059033247 0.002989372019 . 1 . . . . . 688 LEU H . 52863 1 72 . 1 . 1 44 44 LEU C C 13 177.1500833 0.008950525654 . 1 . . . . . 688 LEU C . 52863 1 73 . 1 . 1 44 44 LEU CA C 13 55.34685207 0.005946047284 . 1 . . . . . 688 LEU CA . 52863 1 74 . 1 . 1 44 44 LEU CB C 13 42.26996384 0.02251096494 . 1 . . . . . 688 LEU CB . 52863 1 75 . 1 . 1 44 44 LEU N N 15 125.0186 0.0275658393 . 1 . . . . . 688 LEU N . 52863 1 76 . 1 . 1 45 45 LYS H H 1 8.122005847 0.004273256788 . 1 . . . . . 689 LYS H . 52863 1 77 . 1 . 1 45 45 LYS CA C 13 58.14050051 . . 1 . . . . . 689 LYS CA . 52863 1 78 . 1 . 1 45 45 LYS CB C 13 32.96286035 . . 1 . . . . . 689 LYS CB . 52863 1 79 . 1 . 1 45 45 LYS N N 15 122.4657856 0.04025410935 . 1 . . . . . 689 LYS N . 52863 1 80 . 1 . 1 52 52 PRO C C 13 177.730265 . . 1 . . . . . 696 PRO C . 52863 1 81 . 1 . 1 53 53 GLY H H 1 8.448105698 0.00211006576 . 1 . . . . . 697 GLY H . 52863 1 82 . 1 . 1 53 53 GLY C C 13 174.7850831 0.03995368982 . 1 . . . . . 697 GLY C . 52863 1 83 . 1 . 1 53 53 GLY CA C 13 45.39003548 . . 1 . . . . . 697 GLY CA . 52863 1 84 . 1 . 1 53 53 GLY N N 15 110.2279686 0.05590740929 . 1 . . . . . 697 GLY N . 52863 1 85 . 1 . 1 54 54 GLY H H 1 8.174389384 0.003898712111 . 1 . . . . . 698 GLY H . 52863 1 86 . 1 . 1 54 54 GLY C C 13 174.2061477 0.006331988402 . 1 . . . . . 698 GLY C . 52863 1 87 . 1 . 1 54 54 GLY CA C 13 45.26936578 . . 1 . . . . . 698 GLY CA . 52863 1 88 . 1 . 1 54 54 GLY N N 15 109.3152556 0.04821437123 . 1 . . . . . 698 GLY N . 52863 1 89 . 1 . 1 55 55 THR H H 1 8.002351312 0.002191817544 . 1 . . . . . 699 THR H . 52863 1 90 . 1 . 1 55 55 THR C C 13 174.2688734 0.01904397522 . 1 . . . . . 699 THR C . 52863 1 91 . 1 . 1 55 55 THR CA C 13 62.00112602 0.004950829899 . 1 . . . . . 699 THR CA . 52863 1 92 . 1 . 1 55 55 THR CB C 13 69.91249764 0.06015151866 . 1 . . . . . 699 THR CB . 52863 1 93 . 1 . 1 55 55 THR N N 15 115.0490011 0.02833937405 . 1 . . . . . 699 THR N . 52863 1 94 . 1 . 1 56 56 VAL H H 1 8.157628174 0.004129718308 . 1 . . . . . 700 VAL H . 52863 1 95 . 1 . 1 56 56 VAL C C 13 175.9182361 0.04549790712 . 1 . . . . . 700 VAL C . 52863 1 96 . 1 . 1 56 56 VAL CA C 13 62.29890172 0.03639955728 . 1 . . . . . 700 VAL CA . 52863 1 97 . 1 . 1 56 56 VAL CB C 13 32.82895828 0.03094676088 . 1 . . . . . 700 VAL CB . 52863 1 98 . 1 . 1 56 56 VAL N N 15 124.4043227 0.06510125698 . 1 . . . . . 700 VAL N . 52863 1 99 . 1 . 1 57 57 VAL H H 1 8.185319595 0.002316978573 . 1 . . . . . 701 VAL H . 52863 1 100 . 1 . 1 57 57 VAL C C 13 175.6479568 0.03773765014 . 1 . . . . . 701 VAL C . 52863 1 101 . 1 . 1 57 57 VAL CA C 13 62.06635458 0.006221379686 . 1 . . . . . 701 VAL CA . 52863 1 102 . 1 . 1 57 57 VAL CB C 13 32.833714 0.05788416484 . 1 . . . . . 701 VAL CB . 52863 1 103 . 1 . 1 57 57 VAL N N 15 125.9106144 0.1036899098 . 1 . . . . . 701 VAL N . 52863 1 104 . 1 . 1 58 58 ALA H H 1 8.335812655 0.00386602084 . 1 . . . . . 702 ALA H . 52863 1 105 . 1 . 1 58 58 ALA C C 13 177.2696041 0.01105150157 . 1 . . . . . 702 ALA C . 52863 1 106 . 1 . 1 58 58 ALA CA C 13 52.19728902 . . 1 . . . . . 702 ALA CA . 52863 1 107 . 1 . 1 58 58 ALA CB C 13 19.40125135 0.006842702166 . 1 . . . . . 702 ALA CB . 52863 1 108 . 1 . 1 58 58 ALA N N 15 129.3081987 0.02125725119 . 1 . . . . . 702 ALA N . 52863 1 109 . 1 . 1 59 59 ALA H H 1 8.280083703 0.002182035427 . 1 . . . . . 703 ALA H . 52863 1 110 . 1 . 1 59 59 ALA C C 13 177.9025283 0.01646940642 . 1 . . . . . 703 ALA C . 52863 1 111 . 1 . 1 59 59 ALA CA C 13 52.53685132 0.00233208833 . 1 . . . . . 703 ALA CA . 52863 1 112 . 1 . 1 59 59 ALA CB C 13 19.3237155 0.01503092429 . 1 . . . . . 703 ALA CB . 52863 1 113 . 1 . 1 59 59 ALA N N 15 124.7953233 0.03748511793 . 1 . . . . . 703 ALA N . 52863 1 114 . 1 . 1 60 60 SER H H 1 8.234733179 0.001764482391 . 1 . . . . . 704 SER H . 52863 1 115 . 1 . 1 60 60 SER C C 13 174.442113 0.02191095589 . 1 . . . . . 704 SER C . 52863 1 116 . 1 . 1 60 60 SER CA C 13 58.36875293 0.01714469764 . 1 . . . . . 704 SER CA . 52863 1 117 . 1 . 1 60 60 SER CB C 13 63.83271812 0.05351782299 . 1 . . . . . 704 SER CB . 52863 1 118 . 1 . 1 60 60 SER N N 15 115.5370397 0.02681942866 . 1 . . . . . 704 SER N . 52863 1 119 . 1 . 1 61 61 ASP H H 1 8.278877397 0.004723887903 . 1 . . . . . 705 ASP H . 52863 1 120 . 1 . 1 61 61 ASP C C 13 176.3583806 0.01363354804 . 1 . . . . . 705 ASP C . 52863 1 121 . 1 . 1 61 61 ASP CA C 13 54.4252415 0.01156430102 . 1 . . . . . 705 ASP CA . 52863 1 122 . 1 . 1 61 61 ASP CB C 13 41.28302851 0.008203627591 . 1 . . . . . 705 ASP CB . 52863 1 123 . 1 . 1 61 61 ASP N N 15 122.9805977 0.06570576781 . 1 . . . . . 705 ASP N . 52863 1 124 . 1 . 1 62 62 SER H H 1 8.116968816 0.003682912972 . 1 . . . . . 706 SER H . 52863 1 125 . 1 . 1 62 62 SER C C 13 174.4211697 0.0122580707 . 1 . . . . . 706 SER C . 52863 1 126 . 1 . 1 62 62 SER CA C 13 58.5919614 0.02574702464 . 1 . . . . . 706 SER CA . 52863 1 127 . 1 . 1 62 62 SER CB C 13 63.82350497 0.02668386945 . 1 . . . . . 706 SER CB . 52863 1 128 . 1 . 1 62 62 SER N N 15 116.485976 0.03583975607 . 1 . . . . . 706 SER N . 52863 1 129 . 1 . 1 63 63 ALA H H 1 8.220445036 0.003200498106 . 1 . . . . . 707 ALA H . 52863 1 130 . 1 . 1 63 63 ALA C C 13 177.8398685 0.02715837625 . 1 . . . . . 707 ALA C . 52863 1 131 . 1 . 1 63 63 ALA CA C 13 52.73644053 0.0003157497422 . 1 . . . . . 707 ALA CA . 52863 1 132 . 1 . 1 63 63 ALA CB C 13 19.29940172 0.01904296905 . 1 . . . . . 707 ALA CB . 52863 1 133 . 1 . 1 63 63 ALA N N 15 126.3764807 0.03228867168 . 1 . . . . . 707 ALA N . 52863 1 134 . 1 . 1 64 64 THR H H 1 7.938120199 0.00233432751 . 1 . . . . . 708 THR H . 52863 1 135 . 1 . 1 64 64 THR C C 13 174.0217975 0.008650818992 . 1 . . . . . 708 THR C . 52863 1 136 . 1 . 1 64 64 THR CA C 13 61.78566106 0.01176439581 . 1 . . . . . 708 THR CA . 52863 1 137 . 1 . 1 64 64 THR CB C 13 69.84837155 0.04327797575 . 1 . . . . . 708 THR CB . 52863 1 138 . 1 . 1 64 64 THR N N 15 113.4650738 0.02468680193 . 1 . . . . . 708 THR N . 52863 1 139 . 1 . 1 65 65 ASP H H 1 8.181601516 0.004179685534 . 1 . . . . . 709 ASP H . 52863 1 140 . 1 . 1 65 65 ASP C C 13 175.1475097 . . 1 . . . . . 709 ASP C . 52863 1 141 . 1 . 1 65 65 ASP CA C 13 51.91223518 . . 1 . . . . . 709 ASP CA . 52863 1 142 . 1 . 1 65 65 ASP CB C 13 41.52643253 . . 1 . . . . . 709 ASP CB . 52863 1 143 . 1 . 1 65 65 ASP N N 15 124.7372436 0.05872872641 . 1 . . . . . 709 ASP N . 52863 1 144 . 1 . 1 67 67 PHE C C 13 175.8570447 . . 1 . . . . . 711 PHE C . 52863 1 145 . 1 . 1 67 67 PHE CA C 13 57.65683593 . . 1 . . . . . 711 PHE CA . 52863 1 146 . 1 . 1 67 67 PHE CB C 13 38.66702373 . . 1 . . . . . 711 PHE CB . 52863 1 147 . 1 . 1 68 68 ALA H H 1 7.623741 0.005721283191 . 1 . . . . . 712 ALA H . 52863 1 148 . 1 . 1 68 68 ALA C C 13 177.8387448 0.006838782764 . 1 . . . . . 712 ALA C . 52863 1 149 . 1 . 1 68 68 ALA CA C 13 52.97338981 0.0007339507527 . 1 . . . . . 712 ALA CA . 52863 1 150 . 1 . 1 68 68 ALA CB C 13 19.29701282 0.008422250426 . 1 . . . . . 712 ALA CB . 52863 1 151 . 1 . 1 68 68 ALA N N 15 124.4272891 0.02743398222 . 1 . . . . . 712 ALA N . 52863 1 152 . 1 . 1 69 69 SER H H 1 8.11198031 0.002289923675 . 1 . . . . . 713 SER H . 52863 1 153 . 1 . 1 69 69 SER C C 13 174.6076935 0.0273579295 . 1 . . . . . 713 SER C . 52863 1 154 . 1 . 1 69 69 SER CA C 13 58.38306078 0.01628912726 . 1 . . . . . 713 SER CA . 52863 1 155 . 1 . 1 69 69 SER CB C 13 63.76342904 0.01146152151 . 1 . . . . . 713 SER CB . 52863 1 156 . 1 . 1 69 69 SER N N 15 115.0547184 0.01038431278 . 1 . . . . . 713 SER N . 52863 1 157 . 1 . 1 70 70 VAL H H 1 7.833091205 0.002838434815 . 1 . . . . . 714 VAL H . 52863 1 158 . 1 . 1 70 70 VAL C C 13 175.8975072 0.01252065219 . 1 . . . . . 714 VAL C . 52863 1 159 . 1 . 1 70 70 VAL CA C 13 62.43484793 0.0116781423 . 1 . . . . . 714 VAL CA . 52863 1 160 . 1 . 1 70 70 VAL CB C 13 32.73881884 0.1115377193 . 1 . . . . . 714 VAL CB . 52863 1 161 . 1 . 1 70 70 VAL N N 15 121.6022133 0.02446478347 . 1 . . . . . 714 VAL N . 52863 1 162 . 1 . 1 71 71 PHE H H 1 8.148438284 0.004732936955 . 1 . . . . . 715 PHE H . 52863 1 163 . 1 . 1 71 71 PHE C C 13 176.3236113 0.01153223363 . 1 . . . . . 715 PHE C . 52863 1 164 . 1 . 1 71 71 PHE CA C 13 57.88498658 0.0109337866 . 1 . . . . . 715 PHE CA . 52863 1 165 . 1 . 1 71 71 PHE CB C 13 39.60412085 0.01717755231 . 1 . . . . . 715 PHE CB . 52863 1 166 . 1 . 1 71 71 PHE N N 15 123.248045 0.03783700263 . 1 . . . . . 715 PHE N . 52863 1 167 . 1 . 1 72 72 GLY H H 1 8.198093411 0.002438503041 . 1 . . . . . 716 GLY H . 52863 1 168 . 1 . 1 72 72 GLY C C 13 173.9438939 0.01949375986 . 1 . . . . . 716 GLY C . 52863 1 169 . 1 . 1 72 72 GLY CA C 13 45.46027492 0.02979350217 . 1 . . . . . 716 GLY CA . 52863 1 170 . 1 . 1 72 72 GLY N N 15 111.0394 0.02493418562 . 1 . . . . . 716 GLY N . 52863 1 171 . 1 . 1 73 73 ASN H H 1 8.177397722 0.002987839446 . 1 . . . . . 717 ASN H . 52863 1 172 . 1 . 1 73 73 ASN C C 13 175.5348025 0.01131330364 . 1 . . . . . 717 ASN C . 52863 1 173 . 1 . 1 73 73 ASN CA C 13 53.36779036 0.01197983926 . 1 . . . . . 717 ASN CA . 52863 1 174 . 1 . 1 73 73 ASN CB C 13 38.89750757 0.1941773396 . 1 . . . . . 717 ASN CB . 52863 1 175 . 1 . 1 73 73 ASN N N 15 119.1940372 0.09664596016 . 1 . . . . . 717 ASN N . 52863 1 176 . 1 . 1 74 74 GLU H H 1 8.52120332 0.002622541803 . 1 . . . . . 718 GLU H . 52863 1 177 . 1 . 1 74 74 GLU C C 13 176.6035894 0.007439434794 . 1 . . . . . 718 GLU C . 52863 1 178 . 1 . 1 74 74 GLU CA C 13 57.23975104 0.004983516004 . 1 . . . . . 718 GLU CA . 52863 1 179 . 1 . 1 74 74 GLU CB C 13 29.91130407 0.04477338608 . 1 . . . . . 718 GLU CB . 52863 1 180 . 1 . 1 74 74 GLU N N 15 121.816097 0.0396040035 . 1 . . . . . 718 GLU N . 52863 1 181 . 1 . 1 75 75 SER H H 1 8.158329082 0.002564920349 . 1 . . . . . 719 SER H . 52863 1 182 . 1 . 1 75 75 SER C C 13 174.3212552 0.005432987748 . 1 . . . . . 719 SER C . 52863 1 183 . 1 . 1 75 75 SER CA C 13 58.4648181 0.0004746563634 . 1 . . . . . 719 SER CA . 52863 1 184 . 1 . 1 75 75 SER CB C 13 63.77247669 0.02397748042 . 1 . . . . . 719 SER CB . 52863 1 185 . 1 . 1 75 75 SER N N 15 116.6616457 0.03727986788 . 1 . . . . . 719 SER N . 52863 1 186 . 1 . 1 76 76 PHE H H 1 8.115045029 0.00403541164 . 1 . . . . . 720 PHE H . 52863 1 187 . 1 . 1 76 76 PHE C C 13 176.3749783 0.02757483135 . 1 . . . . . 720 PHE C . 52863 1 188 . 1 . 1 76 76 PHE CA C 13 57.0816177 0.8651709 . 1 . . . . . 720 PHE CA . 52863 1 189 . 1 . 1 76 76 PHE CB C 13 39.46404871 0.0001727118405 . 1 . . . . . 720 PHE CB . 52863 1 190 . 1 . 1 76 76 PHE N N 15 122.5666776 0.09152243475 . 1 . . . . . 720 PHE N . 52863 1 191 . 1 . 1 77 77 GLY H H 1 8.250637706 0.00387290002 . 1 . . . . . 721 GLY H . 52863 1 192 . 1 . 1 77 77 GLY C C 13 174.6710363 0.01926666499 . 1 . . . . . 721 GLY C . 52863 1 193 . 1 . 1 77 77 GLY CA C 13 45.5010583 . . 1 . . . . . 721 GLY CA . 52863 1 194 . 1 . 1 77 77 GLY N N 15 111.3913793 0.04384516453 . 1 . . . . . 721 GLY N . 52863 1 195 . 1 . 1 78 78 GLY H H 1 7.912866247 0.006226272444 . 1 . . . . . 722 GLY H . 52863 1 196 . 1 . 1 78 78 GLY C C 13 174.5995138 0.01133200785 . 1 . . . . . 722 GLY C . 52863 1 197 . 1 . 1 78 78 GLY CA C 13 45.38949051 0.02079441169 . 1 . . . . . 722 GLY CA . 52863 1 198 . 1 . 1 78 78 GLY N N 15 109.044158 0.02685422939 . 1 . . . . . 722 GLY N . 52863 1 199 . 1 . 1 79 79 GLY H H 1 8.141316568 0.001842780214 . 1 . . . . . 723 GLY H . 52863 1 200 . 1 . 1 79 79 GLY C C 13 173.8847355 0.007946274451 . 1 . . . . . 723 GLY C . 52863 1 201 . 1 . 1 79 79 GLY CA C 13 45.14682608 0.03088129899 . 1 . . . . . 723 GLY CA . 52863 1 202 . 1 . 1 79 79 GLY N N 15 109.2387707 0.07004043056 . 1 . . . . . 723 GLY N . 52863 1 203 . 1 . 1 80 80 PHE H H 1 7.98371438 0.002584967247 . 1 . . . . . 724 PHE H . 52863 1 204 . 1 . 1 80 80 PHE C C 13 175.5690446 0.009269409214 . 1 . . . . . 724 PHE C . 52863 1 205 . 1 . 1 80 80 PHE CA C 13 57.80701642 0.01382807791 . 1 . . . . . 724 PHE CA . 52863 1 206 . 1 . 1 80 80 PHE CB C 13 39.67417343 0.00811883264 . 1 . . . . . 724 PHE CB . 52863 1 207 . 1 . 1 80 80 PHE N N 15 120.3819489 0.0487504772 . 1 . . . . . 724 PHE N . 52863 1 208 . 1 . 1 81 81 ALA H H 1 8.098395336 0.001562581971 . 1 . . . . . 725 ALA H . 52863 1 209 . 1 . 1 81 81 ALA C C 13 176.7053612 0.01367984187 . 1 . . . . . 725 ALA C . 52863 1 210 . 1 . 1 81 81 ALA CA C 13 52.39393916 0.01441692869 . 1 . . . . . 725 ALA CA . 52863 1 211 . 1 . 1 81 81 ALA CB C 13 19.43027553 0.01294506006 . 1 . . . . . 725 ALA CB . 52863 1 212 . 1 . 1 81 81 ALA N N 15 125.7618215 0.0328588356 . 1 . . . . . 725 ALA N . 52863 1 213 . 1 . 1 82 82 ASP H H 1 7.927718859 0.002401250472 . 1 . . . . . 726 ASP H . 52863 1 214 . 1 . 1 82 82 ASP C C 13 176.1909144 0.007696402025 . 1 . . . . . 726 ASP C . 52863 1 215 . 1 . 1 82 82 ASP CA C 13 53.95477827 0.004119870729 . 1 . . . . . 726 ASP CA . 52863 1 216 . 1 . 1 82 82 ASP CB C 13 41.23142342 0.009375710972 . 1 . . . . . 726 ASP CB . 52863 1 217 . 1 . 1 82 82 ASP N N 15 119.7731856 0.03499137279 . 1 . . . . . 726 ASP N . 52863 1 218 . 1 . 1 83 83 PHE H H 1 8.135945607 0.00208117406 . 1 . . . . . 727 PHE H . 52863 1 219 . 1 . 1 83 83 PHE C C 13 176.3617193 0.005600829475 . 1 . . . . . 727 PHE C . 52863 1 220 . 1 . 1 83 83 PHE CA C 13 58.30849083 0.009518307104 . 1 . . . . . 727 PHE CA . 52863 1 221 . 1 . 1 83 83 PHE CB C 13 39.18928619 0.01719527197 . 1 . . . . . 727 PHE CB . 52863 1 222 . 1 . 1 83 83 PHE N N 15 121.870682 0.02297751324 . 1 . . . . . 727 PHE N . 52863 1 223 . 1 . 1 84 84 SER H H 1 8.256916046 0.003904814372 . 1 . . . . . 728 SER H . 52863 1 224 . 1 . 1 84 84 SER C C 13 175.2297087 0.01112912185 . 1 . . . . . 728 SER C . 52863 1 225 . 1 . 1 84 84 SER CA C 13 59.34806074 0.01271805514 . 1 . . . . . 728 SER CA . 52863 1 226 . 1 . 1 84 84 SER CB C 13 63.62961385 0.02944443275 . 1 . . . . . 728 SER CB . 52863 1 227 . 1 . 1 84 84 SER N N 15 117.3841154 0.04272093491 . 1 . . . . . 728 SER N . 52863 1 228 . 1 . 1 85 85 THR H H 1 7.961547287 0.004536258963 . 1 . . . . . 729 THR H . 52863 1 229 . 1 . 1 85 85 THR C C 13 174.9059176 0.01499591265 . 1 . . . . . 729 THR C . 52863 1 230 . 1 . 1 85 85 THR CA C 13 62.56863948 0.019392435 . 1 . . . . . 729 THR CA . 52863 1 231 . 1 . 1 85 85 THR CB C 13 69.44800347 0.03649619941 . 1 . . . . . 729 THR CB . 52863 1 232 . 1 . 1 85 85 THR N N 15 116.017129 0.0726360256 . 1 . . . . . 729 THR N . 52863 1 233 . 1 . 1 86 86 LEU H H 1 7.907203132 0.00383639163 . 1 . . . . . 730 LEU H . 52863 1 234 . 1 . 1 86 86 LEU C C 13 177.501339 0.01241344575 . 1 . . . . . 730 LEU C . 52863 1 235 . 1 . 1 86 86 LEU CA C 13 55.59001502 0.01162211586 . 1 . . . . . 730 LEU CA . 52863 1 236 . 1 . 1 86 86 LEU CB C 13 42.30293599 0.03924118655 . 1 . . . . . 730 LEU CB . 52863 1 237 . 1 . 1 86 86 LEU N N 15 124.0152385 0.0329890183 . 1 . . . . . 730 LEU N . 52863 1 238 . 1 . 1 87 87 SER H H 1 8.070298135 0.002694070389 . 1 . . . . . 731 SER H . 52863 1 239 . 1 . 1 87 87 SER C C 13 174.5069927 0.00925255215 . 1 . . . . . 731 SER C . 52863 1 240 . 1 . 1 87 87 SER CA C 13 58.59384617 0.01364970757 . 1 . . . . . 731 SER CA . 52863 1 241 . 1 . 1 87 87 SER CB C 13 63.67503502 0.009533050657 . 1 . . . . . 731 SER CB . 52863 1 242 . 1 . 1 87 87 SER N N 15 116.5152208 0.08463616159 . 1 . . . . . 731 SER N . 52863 1 243 . 1 . 1 88 88 LYS H H 1 8.122604676 0.002750069493 . 1 . . . . . 732 LYS H . 52863 1 244 . 1 . 1 88 88 LYS C C 13 176.5468753 0.01506177131 . 1 . . . . . 732 LYS C . 52863 1 245 . 1 . 1 88 88 LYS CA C 13 56.38852407 0.01340303115 . 1 . . . . . 732 LYS CA . 52863 1 246 . 1 . 1 88 88 LYS CB C 13 33.08464168 0.05959215551 . 1 . . . . . 732 LYS CB . 52863 1 247 . 1 . 1 88 88 LYS N N 15 123.7585761 0.02035134534 . 1 . . . . . 732 LYS N . 52863 1 248 . 1 . 1 89 89 VAL H H 1 7.989577861 0.0017382029 . 1 . . . . . 733 VAL H . 52863 1 249 . 1 . 1 89 89 VAL C C 13 175.8309101 0.003503747004 . 1 . . . . . 733 VAL C . 52863 1 250 . 1 . 1 89 89 VAL CA C 13 62.44005976 0.0102282722 . 1 . . . . . 733 VAL CA . 52863 1 251 . 1 . 1 89 89 VAL CB C 13 32.82911228 0.07218088036 . 1 . . . . . 733 VAL CB . 52863 1 252 . 1 . 1 89 89 VAL N N 15 121.247716 0.03256425359 . 1 . . . . . 733 VAL N . 52863 1 253 . 1 . 1 90 90 ASN H H 1 8.408989328 0.003136740728 . 1 . . . . . 734 ASN H . 52863 1 254 . 1 . 1 90 90 ASN C C 13 174.9156481 . . 1 . . . . . 734 ASN C . 52863 1 255 . 1 . 1 90 90 ASN CA C 13 53.1393209 . . 1 . . . . . 734 ASN CA . 52863 1 256 . 1 . 1 90 90 ASN CB C 13 39.23050412 . . 1 . . . . . 734 ASN CB . 52863 1 257 . 1 . 1 90 90 ASN N N 15 122.8433844 0.03923800526 . 1 . . . . . 734 ASN N . 52863 1 258 . 1 . 1 105 105 ASN C C 13 174.8102274 . . 1 . . . . . 749 ASN C . 52863 1 259 . 1 . 1 105 105 ASN CA C 13 53.27059048 . . 1 . . . . . 749 ASN CA . 52863 1 260 . 1 . 1 105 105 ASN CB C 13 38.93992954 . . 1 . . . . . 749 ASN CB . 52863 1 261 . 1 . 1 106 106 VAL H H 1 7.930141422 0.003335183121 . 1 . . . . . 750 VAL H . 52863 1 262 . 1 . 1 106 106 VAL C C 13 175.3585222 0.5318327093 . 1 . . . . . 750 VAL C . 52863 1 263 . 1 . 1 106 106 VAL CA C 13 62.47265169 0.008425924313 . 1 . . . . . 750 VAL CA . 52863 1 264 . 1 . 1 106 106 VAL CB C 13 32.82578617 0.04805117405 . 1 . . . . . 750 VAL CB . 52863 1 265 . 1 . 1 106 106 VAL N N 15 121.1081246 0.04775304883 . 1 . . . . . 750 VAL N . 52863 1 266 . 1 . 1 107 107 VAL H H 1 8.191065975 0.002290298212 . 1 . . . . . 751 VAL H . 52863 1 267 . 1 . 1 107 107 VAL C C 13 175.933744 0.009484216039 . 1 . . . . . 751 VAL C . 52863 1 268 . 1 . 1 107 107 VAL CA C 13 62.3661116 0.004353833423 . 1 . . . . . 751 VAL CA . 52863 1 269 . 1 . 1 107 107 VAL CB C 13 32.71945513 0.002824718206 . 1 . . . . . 751 VAL CB . 52863 1 270 . 1 . 1 107 107 VAL N N 15 126.0312168 0.05300150382 . 1 . . . . . 751 VAL N . 52863 1 271 . 1 . 1 108 108 ILE H H 1 8.278198436 0.003662408725 . 1 . . . . . 752 ILE H . 52863 1 272 . 1 . 1 108 108 ILE C C 13 176.3079245 0.002405593132 . 1 . . . . . 752 ILE C . 52863 1 273 . 1 . 1 108 108 ILE CA C 13 60.75871557 0.0002966854588 . 1 . . . . . 752 ILE CA . 52863 1 274 . 1 . 1 108 108 ILE CB C 13 38.56994666 0.04427039656 . 1 . . . . . 752 ILE CB . 52863 1 275 . 1 . 1 108 108 ILE N N 15 126.8972429 0.02873382217 . 1 . . . . . 752 ILE N . 52863 1 276 . 1 . 1 109 109 THR H H 1 8.176996517 0.004002654246 . 1 . . . . . 753 THR H . 52863 1 277 . 1 . 1 109 109 THR C C 13 174.1220764 0.01086249464 . 1 . . . . . 753 THR C . 52863 1 278 . 1 . 1 109 109 THR CA C 13 61.69227476 0.003766170419 . 1 . . . . . 753 THR CA . 52863 1 279 . 1 . 1 109 109 THR CB C 13 69.88524987 0.01098409045 . 1 . . . . . 753 THR CB . 52863 1 280 . 1 . 1 109 109 THR N N 15 120.2634485 0.02355840336 . 1 . . . . . 753 THR N . 52863 1 281 . 1 . 1 110 110 LYS H H 1 8.243005146 0.003281132469 . 1 . . . . . 754 LYS H . 52863 1 282 . 1 . 1 110 110 LYS C C 13 175.9019997 . . 1 . . . . . 754 LYS C . 52863 1 283 . 1 . 1 110 110 LYS CA C 13 56.21903715 . . 1 . . . . . 754 LYS CA . 52863 1 284 . 1 . 1 110 110 LYS CB C 13 33.31257831 . . 1 . . . . . 754 LYS CB . 52863 1 285 . 1 . 1 110 110 LYS N N 15 124.6635345 0.02915707874 . 1 . . . . . 754 LYS N . 52863 1 286 . 1 . 1 112 112 VAL C C 13 177.1420928 . . 1 . . . . . 756 VAL C . 52863 1 287 . 1 . 1 112 112 VAL CA C 13 63.75250914 . . 1 . . . . . 756 VAL CA . 52863 1 288 . 1 . 1 112 112 VAL CB C 13 31.9619523 . . 1 . . . . . 756 VAL CB . 52863 1 289 . 1 . 1 113 113 PHE H H 1 8.167319386 0.007098116969 . 1 . . . . . 757 PHE H . 52863 1 290 . 1 . 1 113 113 PHE C C 13 176.073414 0.04019210464 . 1 . . . . . 757 PHE C . 52863 1 291 . 1 . 1 113 113 PHE CA C 13 57.86601056 0.04968711629 . 1 . . . . . 757 PHE CA . 52863 1 292 . 1 . 1 113 113 PHE CB C 13 38.77364966 0.05817128693 . 1 . . . . . 757 PHE CB . 52863 1 293 . 1 . 1 113 113 PHE N N 15 119.0500926 0.1402347692 . 1 . . . . . 757 PHE N . 52863 1 294 . 1 . 1 114 114 GLU H H 1 7.679164657 0.004854257085 . 1 . . . . . 758 GLU H . 52863 1 295 . 1 . 1 114 114 GLU C C 13 176.0671364 0.04579403802 . 1 . . . . . 758 GLU C . 52863 1 296 . 1 . 1 114 114 GLU CA C 13 56.31098312 0.01468098586 . 1 . . . . . 758 GLU CA . 52863 1 297 . 1 . 1 114 114 GLU CB C 13 30.71146906 0.00005282 . 1 . . . . . 758 GLU CB . 52863 1 298 . 1 . 1 114 114 GLU N N 15 122.1784935 0.02284283198 . 1 . . . . . 758 GLU N . 52863 1 299 . 1 . 1 115 115 GLU H H 1 8.344727232 0.002289494012 . 1 . . . . . 759 GLU H . 52863 1 300 . 1 . 1 115 115 GLU C C 13 176.6865107 0.01231486509 . 1 . . . . . 759 GLU C . 52863 1 301 . 1 . 1 115 115 GLU CA C 13 56.73694524 0.02336970756 . 1 . . . . . 759 GLU CA . 52863 1 302 . 1 . 1 115 115 GLU CB C 13 30.38938594 0.0529608843 . 1 . . . . . 759 GLU CB . 52863 1 303 . 1 . 1 115 115 GLU N N 15 123.231773 0.02502963543 . 1 . . . . . 759 GLU N . 52863 1 304 . 1 . 1 116 116 THR H H 1 8.147129322 0.002912474858 . 1 . . . . . 760 THR H . 52863 1 305 . 1 . 1 116 116 THR C C 13 174.5366974 0.01578281552 . 1 . . . . . 760 THR C . 52863 1 306 . 1 . 1 116 116 THR CA C 13 61.940606 0.04425232487 . 1 . . . . . 760 THR CA . 52863 1 307 . 1 . 1 116 116 THR CB C 13 69.83882335 0.03955412363 . 1 . . . . . 760 THR CB . 52863 1 308 . 1 . 1 116 116 THR N N 15 115.7540676 0.0372639788 . 1 . . . . . 760 THR N . 52863 1 309 . 1 . 1 117 117 SER H H 1 8.253153883 0.005046235406 . 1 . . . . . 761 SER H . 52863 1 310 . 1 . 1 117 117 SER C C 13 174.3232164 0.002264139322 . 1 . . . . . 761 SER C . 52863 1 311 . 1 . 1 117 117 SER CA C 13 58.29165793 0.01190534823 . 1 . . . . . 761 SER CA . 52863 1 312 . 1 . 1 117 117 SER CB C 13 63.94528951 0.005482669083 . 1 . . . . . 761 SER CB . 52863 1 313 . 1 . 1 117 117 SER N N 15 119.2344205 0.02870279039 . 1 . . . . . 761 SER N . 52863 1 314 . 1 . 1 118 118 VAL H H 1 8.076608415 0.002995384588 . 1 . . . . . 762 VAL H . 52863 1 315 . 1 . 1 118 118 VAL C C 13 175.9901063 0.002542389126 . 1 . . . . . 762 VAL C . 52863 1 316 . 1 . 1 118 118 VAL CA C 13 62.23518238 0.0005997663766 . 1 . . . . . 762 VAL CA . 52863 1 317 . 1 . 1 118 118 VAL CB C 13 32.7784393 0.003591339505 . 1 . . . . . 762 VAL CB . 52863 1 318 . 1 . 1 118 118 VAL N N 15 122.840468 0.03813988629 . 1 . . . . . 762 VAL N . 52863 1 319 . 1 . 1 119 119 LYS H H 1 8.366753826 0.003275050003 . 1 . . . . . 763 LYS H . 52863 1 320 . 1 . 1 119 119 LYS C C 13 176.4946173 0.01706084917 . 1 . . . . . 763 LYS C . 52863 1 321 . 1 . 1 119 119 LYS CA C 13 55.99797155 0.0065714341 . 1 . . . . . 763 LYS CA . 52863 1 322 . 1 . 1 119 119 LYS CB C 13 33.18295575 0.01702047985 . 1 . . . . . 763 LYS CB . 52863 1 323 . 1 . 1 119 119 LYS N N 15 126.7069756 0.03097916618 . 1 . . . . . 763 LYS N . 52863 1 324 . 1 . 1 120 120 SER H H 1 8.406454002 0.003924667398 . 1 . . . . . 764 SER H . 52863 1 325 . 1 . 1 120 120 SER C C 13 174.7367741 0.002300905261 . 1 . . . . . 764 SER C . 52863 1 326 . 1 . 1 120 120 SER CA C 13 58.44079378 0.01299546926 . 1 . . . . . 764 SER CA . 52863 1 327 . 1 . 1 120 120 SER CB C 13 63.86268083 0.0009350532293 . 1 . . . . . 764 SER CB . 52863 1 328 . 1 . 1 120 120 SER N N 15 119.0956702 0.03792750946 . 1 . . . . . 764 SER N . 52863 1 329 . 1 . 1 121 121 GLU H H 1 8.522835359 0.001709923933 . 1 . . . . . 765 GLU H . 52863 1 330 . 1 . 1 121 121 GLU C C 13 176.0591805 0.02422372187 . 1 . . . . . 765 GLU C . 52863 1 331 . 1 . 1 121 121 GLU CA C 13 56.59451687 0.00785244235 . 1 . . . . . 765 GLU CA . 52863 1 332 . 1 . 1 121 121 GLU CB C 13 30.30799987 0.02362853153 . 1 . . . . . 765 GLU CB . 52863 1 333 . 1 . 1 121 121 GLU N N 15 123.4238939 0.03179871077 . 1 . . . . . 765 GLU N . 52863 1 334 . 1 . 1 122 122 ASP H H 1 8.210366664 0.00316852574 . 1 . . . . . 766 ASP H . 52863 1 335 . 1 . 1 122 122 ASP C C 13 175.8390924 0.06923178145 . 1 . . . . . 766 ASP C . 52863 1 336 . 1 . 1 122 122 ASP CA C 13 54.34297105 0.005404239271 . 1 . . . . . 766 ASP CA . 52863 1 337 . 1 . 1 122 122 ASP CB C 13 41.35950417 0.01362606461 . 1 . . . . . 766 ASP CB . 52863 1 338 . 1 . 1 122 122 ASP N N 15 121.6114999 0.04481941469 . 1 . . . . . 766 ASP N . 52863 1 339 . 1 . 1 123 123 GLU H H 1 8.089214781 0.002399573303 . 1 . . . . . 767 GLU H . 52863 1 340 . 1 . 1 123 123 GLU C C 13 174.0033088 . . 1 . . . . . 767 GLU C . 52863 1 341 . 1 . 1 123 123 GLU CA C 13 56.26047155 . . 1 . . . . . 767 GLU CA . 52863 1 342 . 1 . 1 123 123 GLU CB C 13 30.02403085 . . 1 . . . . . 767 GLU CB . 52863 1 343 . 1 . 1 123 123 GLU N N 15 122.8853171 0.09090077882 . 1 . . . . . 767 GLU N . 52863 1 344 . 1 . 1 131 131 ILE C C 13 176.5639772 . . 1 . . . . . 775 ILE C . 52863 1 345 . 1 . 1 131 131 ILE CA C 13 61.12529196 . . 1 . . . . . 775 ILE CA . 52863 1 346 . 1 . 1 132 132 GLY H H 1 8.43959675 0.004213565429 . 1 . . . . . 776 GLY H . 52863 1 347 . 1 . 1 132 132 GLY C C 13 173.8359899 0.001706685922 . 1 . . . . . 776 GLY C . 52863 1 348 . 1 . 1 132 132 GLY CA C 13 45.06080715 0.002049133664 . 1 . . . . . 776 GLY CA . 52863 1 349 . 1 . 1 132 132 GLY N N 15 113.8269814 0.0300037017 . 1 . . . . . 776 GLY N . 52863 1 350 . 1 . 1 133 133 THR H H 1 8.002490131 0.002295731641 . 1 . . . . . 777 THR H . 52863 1 351 . 1 . 1 133 133 THR C C 13 172.9134601 . . 1 . . . . . 777 THR C . 52863 1 352 . 1 . 1 133 133 THR CA C 13 59.83447837 . . 1 . . . . . 777 THR CA . 52863 1 353 . 1 . 1 133 133 THR CB C 13 69.87250556 . . 1 . . . . . 777 THR CB . 52863 1 354 . 1 . 1 133 133 THR N N 15 117.2803532 0.0357823746 . 1 . . . . . 777 THR N . 52863 1 stop_ save_