data_19502 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19502 _Entry.Title ; Protein structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-17 _Entry.Accession_date 2013-09-17 _Entry.Last_release_date 2014-05-06 _Entry.Original_release_date 2014-05-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pierre Barraud . . . 19502 2 Frederic Allain . 'H. T.' . 19502 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19502 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ADAR . 19502 ADAR1 . 19502 deaminase . 19502 dsRBD . 19502 dsRBM . 19502 Protein . 19502 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19502 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 19502 '15N chemical shifts' 93 19502 '1H chemical shifts' 604 19502 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 . . 2014-05-06 2013-09-17 original author . 19502 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19502 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24753571 _Citation.Full_citation . _Citation.Title 'A bimodular nuclear localization signal assembled via an extended double-stranded RNA-binding domain acts as an RNA-sensing signal for transportin 1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _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 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pierre Barraud . . . 19502 1 2 Silpi Banerjee . . . 19502 1 3 Weaam Mohamed . I. . 19502 1 4 Michael Jantsch . F. . 19502 1 5 'Frederic H-T' Allain . . . 19502 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19502 _Assembly.ID 1 _Assembly.Name dsRBD3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 dsRBD3 1 $dsRBD3 A . yes native no no . . . 19502 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dsRBD3 _Entity.Sf_category entity _Entity.Sf_framecode dsRBD3 _Entity.Entry_ID 19502 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dsRBD3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSHHHHHHSSGLVPRGSHM MPNKVRKIGELVRYLNTNPV GGLLEYARSHGFAAEFKLVD QSGPPHEPKFVYQAKVGGRW FPAVCAHSKKQGKQEAADAA LRVLIGENEKAER ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10452.122 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MDR . "Solution Structure Of The Third Double-stranded Rna-binding Domain (dsrbd3) Of Human Adenosine-deaminase Adar1" . . . . . 100.00 113 100.00 100.00 5.61e-76 . . . . 19502 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 689 GLY . 19502 1 2 690 SER . 19502 1 3 691 SER . 19502 1 4 692 HIS . 19502 1 5 693 HIS . 19502 1 6 694 HIS . 19502 1 7 695 HIS . 19502 1 8 696 HIS . 19502 1 9 697 HIS . 19502 1 10 698 SER . 19502 1 11 699 SER . 19502 1 12 700 GLY . 19502 1 13 701 LEU . 19502 1 14 702 VAL . 19502 1 15 703 PRO . 19502 1 16 704 ARG . 19502 1 17 705 GLY . 19502 1 18 706 SER . 19502 1 19 707 HIS . 19502 1 20 708 MET . 19502 1 21 709 MET . 19502 1 22 710 PRO . 19502 1 23 711 ASN . 19502 1 24 712 LYS . 19502 1 25 713 VAL . 19502 1 26 714 ARG . 19502 1 27 715 LYS . 19502 1 28 716 ILE . 19502 1 29 717 GLY . 19502 1 30 718 GLU . 19502 1 31 719 LEU . 19502 1 32 720 VAL . 19502 1 33 721 ARG . 19502 1 34 722 TYR . 19502 1 35 723 LEU . 19502 1 36 724 ASN . 19502 1 37 725 THR . 19502 1 38 726 ASN . 19502 1 39 727 PRO . 19502 1 40 728 VAL . 19502 1 41 729 GLY . 19502 1 42 730 GLY . 19502 1 43 731 LEU . 19502 1 44 732 LEU . 19502 1 45 733 GLU . 19502 1 46 734 TYR . 19502 1 47 735 ALA . 19502 1 48 736 ARG . 19502 1 49 737 SER . 19502 1 50 738 HIS . 19502 1 51 739 GLY . 19502 1 52 740 PHE . 19502 1 53 741 ALA . 19502 1 54 742 ALA . 19502 1 55 743 GLU . 19502 1 56 744 PHE . 19502 1 57 745 LYS . 19502 1 58 746 LEU . 19502 1 59 747 VAL . 19502 1 60 748 ASP . 19502 1 61 749 GLN . 19502 1 62 750 SER . 19502 1 63 751 GLY . 19502 1 64 752 PRO . 19502 1 65 753 PRO . 19502 1 66 754 HIS . 19502 1 67 755 GLU . 19502 1 68 756 PRO . 19502 1 69 757 LYS . 19502 1 70 758 PHE . 19502 1 71 759 VAL . 19502 1 72 760 TYR . 19502 1 73 761 GLN . 19502 1 74 762 ALA . 19502 1 75 763 LYS . 19502 1 76 764 VAL . 19502 1 77 765 GLY . 19502 1 78 766 GLY . 19502 1 79 767 ARG . 19502 1 80 768 TRP . 19502 1 81 769 PHE . 19502 1 82 770 PRO . 19502 1 83 771 ALA . 19502 1 84 772 VAL . 19502 1 85 773 CYS . 19502 1 86 774 ALA . 19502 1 87 775 HIS . 19502 1 88 776 SER . 19502 1 89 777 LYS . 19502 1 90 778 LYS . 19502 1 91 779 GLN . 19502 1 92 780 GLY . 19502 1 93 781 LYS . 19502 1 94 782 GLN . 19502 1 95 783 GLU . 19502 1 96 784 ALA . 19502 1 97 785 ALA . 19502 1 98 786 ASP . 19502 1 99 787 ALA . 19502 1 100 788 ALA . 19502 1 101 789 LEU . 19502 1 102 790 ARG . 19502 1 103 791 VAL . 19502 1 104 792 LEU . 19502 1 105 793 ILE . 19502 1 106 794 GLY . 19502 1 107 795 GLU . 19502 1 108 796 ASN . 19502 1 109 797 GLU . 19502 1 110 798 LYS . 19502 1 111 799 ALA . 19502 1 112 800 GLU . 19502 1 113 801 ARG . 19502 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 19502 1 . SER 2 2 19502 1 . SER 3 3 19502 1 . HIS 4 4 19502 1 . HIS 5 5 19502 1 . HIS 6 6 19502 1 . HIS 7 7 19502 1 . HIS 8 8 19502 1 . HIS 9 9 19502 1 . SER 10 10 19502 1 . SER 11 11 19502 1 . GLY 12 12 19502 1 . LEU 13 13 19502 1 . VAL 14 14 19502 1 . PRO 15 15 19502 1 . ARG 16 16 19502 1 . GLY 17 17 19502 1 . SER 18 18 19502 1 . HIS 19 19 19502 1 . MET 20 20 19502 1 . MET 21 21 19502 1 . PRO 22 22 19502 1 . ASN 23 23 19502 1 . LYS 24 24 19502 1 . VAL 25 25 19502 1 . ARG 26 26 19502 1 . LYS 27 27 19502 1 . ILE 28 28 19502 1 . GLY 29 29 19502 1 . GLU 30 30 19502 1 . LEU 31 31 19502 1 . VAL 32 32 19502 1 . ARG 33 33 19502 1 . TYR 34 34 19502 1 . LEU 35 35 19502 1 . ASN 36 36 19502 1 . THR 37 37 19502 1 . ASN 38 38 19502 1 . PRO 39 39 19502 1 . VAL 40 40 19502 1 . GLY 41 41 19502 1 . GLY 42 42 19502 1 . LEU 43 43 19502 1 . LEU 44 44 19502 1 . GLU 45 45 19502 1 . TYR 46 46 19502 1 . ALA 47 47 19502 1 . ARG 48 48 19502 1 . SER 49 49 19502 1 . HIS 50 50 19502 1 . GLY 51 51 19502 1 . PHE 52 52 19502 1 . ALA 53 53 19502 1 . ALA 54 54 19502 1 . GLU 55 55 19502 1 . PHE 56 56 19502 1 . LYS 57 57 19502 1 . LEU 58 58 19502 1 . VAL 59 59 19502 1 . ASP 60 60 19502 1 . GLN 61 61 19502 1 . SER 62 62 19502 1 . GLY 63 63 19502 1 . PRO 64 64 19502 1 . PRO 65 65 19502 1 . HIS 66 66 19502 1 . GLU 67 67 19502 1 . PRO 68 68 19502 1 . LYS 69 69 19502 1 . PHE 70 70 19502 1 . VAL 71 71 19502 1 . TYR 72 72 19502 1 . GLN 73 73 19502 1 . ALA 74 74 19502 1 . LYS 75 75 19502 1 . VAL 76 76 19502 1 . GLY 77 77 19502 1 . GLY 78 78 19502 1 . ARG 79 79 19502 1 . TRP 80 80 19502 1 . PHE 81 81 19502 1 . PRO 82 82 19502 1 . ALA 83 83 19502 1 . VAL 84 84 19502 1 . CYS 85 85 19502 1 . ALA 86 86 19502 1 . HIS 87 87 19502 1 . SER 88 88 19502 1 . LYS 89 89 19502 1 . LYS 90 90 19502 1 . GLN 91 91 19502 1 . GLY 92 92 19502 1 . LYS 93 93 19502 1 . GLN 94 94 19502 1 . GLU 95 95 19502 1 . ALA 96 96 19502 1 . ALA 97 97 19502 1 . ASP 98 98 19502 1 . ALA 99 99 19502 1 . ALA 100 100 19502 1 . LEU 101 101 19502 1 . ARG 102 102 19502 1 . VAL 103 103 19502 1 . LEU 104 104 19502 1 . ILE 105 105 19502 1 . GLY 106 106 19502 1 . GLU 107 107 19502 1 . ASN 108 108 19502 1 . GLU 109 109 19502 1 . LYS 110 110 19502 1 . ALA 111 111 19502 1 . GLU 112 112 19502 1 . ARG 113 113 19502 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 19502 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dsRBD3 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19502 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 19502 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dsRBD3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)codon+RIL . . . . . . . . . . . . . . . pET28a . . . . . . 19502 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_H2O _Sample.Entry_ID 19502 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.0' _Sample.Aggregate_sample_number . _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 dsRBD3 '[U-99% 13C; U-99% 15N]' . . 1 $dsRBD3 . . . 0.7 0.9 mM . . . . 19502 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19502 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19502 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19502 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19502 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19502 1 stop_ save_ save_13C-15N_D20 _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_D20 _Sample.Entry_ID 19502 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.0' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 dsRBD3 '[U-99% 13C; U-99% 15N]' . . 1 $dsRBD3 . . . 0.7 0.9 mM . . . . 19502 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19502 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19502 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19502 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19502 2 stop_ save_ save_15N_H20 _Sample.Sf_category sample _Sample.Sf_framecode 15N_H20 _Sample.Entry_ID 19502 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.0' _Sample.Aggregate_sample_number . _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 dsRBD3 '[U-99% 15N]' . . 1 $dsRBD3 . . . 0.7 0.9 mM . . . . 19502 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19502 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19502 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19502 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19502 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19502 3 stop_ save_ save_1H_D2O _Sample.Sf_category sample _Sample.Sf_framecode 1H_D2O _Sample.Entry_ID 19502 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.0' _Sample.Aggregate_sample_number . _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 dsRBD3 'natural abundance' . . 1 $dsRBD3 . . . 0.7 0.9 mM . . . . 19502 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19502 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19502 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19502 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19502 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19502 4 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 19502 _Sample_condition_list.ID 1 _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' 120 5 mM 19502 1 pH 7.0 0.2 pH 19502 1 pressure 1 . atm 19502 1 temperature 313.0 0.25 K 19502 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19502 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19502 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19502 1 processing 19502 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19502 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19502 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19502 2 'data analysis' 19502 2 'peak picking' 19502 2 stop_ save_ save_ATNOS _Software.Sf_category software _Software.Sf_framecode ATNOS _Software.Entry_ID 19502 _Software.ID 3 _Software.Name ATNOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19502 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19502 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19502 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19502 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19502 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19502 _Software.ID 5 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19502 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19502 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19502 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19502 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19502 6 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 19502 _Software.ID 7 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . 19502 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19502 7 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 19502 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19502 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19502 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19502 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 19502 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19502 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19502 1 2 spectrometer_2 Bruker Avance . 600 . . . 19502 1 3 spectrometer_3 Bruker Avance . 700 . . . 19502 1 4 spectrometer_4 Bruker Avance . 750 . . . 19502 1 5 spectrometer_5 Bruker Avance . 900 . . . 19502 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 19502 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_H20 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19502 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $13C-15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $13C-15N_D20 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 4 '3D HNCA' no . . . . . . . . . . 1 $13C-15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19502 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C-15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19502 1 6 '3D HNCACB' no . . . . . . . . . . 1 $13C-15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C-15N_D20 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19502 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $1H_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $1H_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $15N_H20 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $13C-15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $13C-15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19502 1 13 15N{1H}-HeteroNOE no . . . . . . . . . . 3 $15N_H20 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19502 1 14 'long-range 2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_H20 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19502 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 19502 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19502 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19502 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19502 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 19502 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 8 '2D 1H-1H NOESY' . . . 19502 1 10 '3D 1H-15N NOESY' . . . 19502 1 11 '3D 1H-13C NOESY aliphatic' . . . 19502 1 12 '3D 1H-13C NOESY aromatic' . . . 19502 1 14 'long-range 2D 1H-15N HSQC' . . . 19502 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 VAL H H 1 8.051 0.020 . 1 . . . A 713 VAL H . 19502 1 2 . 1 1 25 25 VAL HA H 1 4.120 0.020 . 1 . . . A 713 VAL HA . 19502 1 3 . 1 1 25 25 VAL HB H 1 2.133 0.020 . 1 . . . A 713 VAL HB . 19502 1 4 . 1 1 25 25 VAL HG11 H 1 1.000 0.020 . 1 . . . A 713 VAL HG11 . 19502 1 5 . 1 1 25 25 VAL HG12 H 1 1.000 0.020 . 1 . . . A 713 VAL HG12 . 19502 1 6 . 1 1 25 25 VAL HG13 H 1 1.000 0.020 . 1 . . . A 713 VAL HG13 . 19502 1 7 . 1 1 25 25 VAL CA C 13 63.009 0.300 . 1 . . . A 713 VAL CA . 19502 1 8 . 1 1 25 25 VAL CB C 13 32.747 0.300 . 1 . . . A 713 VAL CB . 19502 1 9 . 1 1 25 25 VAL CG1 C 13 21.392 0.300 . 1 . . . A 713 VAL CG1 . 19502 1 10 . 1 1 25 25 VAL N N 15 120.649 0.300 . 1 . . . A 713 VAL N . 19502 1 11 . 1 1 27 27 LYS HA H 1 4.481 0.020 . 1 . . . A 715 LYS HA . 19502 1 12 . 1 1 27 27 LYS HB2 H 1 1.916 0.020 . 2 . . . A 715 LYS HB2 . 19502 1 13 . 1 1 27 27 LYS HB3 H 1 2.027 0.020 . 2 . . . A 715 LYS HB3 . 19502 1 14 . 1 1 27 27 LYS HG2 H 1 1.533 0.020 . 2 . . . A 715 LYS HG2 . 19502 1 15 . 1 1 27 27 LYS HG3 H 1 1.599 0.020 . 2 . . . A 715 LYS HG3 . 19502 1 16 . 1 1 27 27 LYS HD2 H 1 1.803 0.020 . 1 . . . A 715 LYS HD2 . 19502 1 17 . 1 1 27 27 LYS HD3 H 1 1.803 0.020 . 1 . . . A 715 LYS HD3 . 19502 1 18 . 1 1 27 27 LYS CA C 13 56.754 0.300 . 1 . . . A 715 LYS CA . 19502 1 19 . 1 1 27 27 LYS CB C 13 33.015 0.300 . 1 . . . A 715 LYS CB . 19502 1 20 . 1 1 27 27 LYS CG C 13 25.068 0.300 . 1 . . . A 715 LYS CG . 19502 1 21 . 1 1 27 27 LYS CD C 13 29.195 0.300 . 1 . . . A 715 LYS CD . 19502 1 22 . 1 1 28 28 ILE H H 1 8.406 0.020 . 1 . . . A 716 ILE H . 19502 1 23 . 1 1 28 28 ILE HA H 1 4.099 0.020 . 1 . . . A 716 ILE HA . 19502 1 24 . 1 1 28 28 ILE HB H 1 2.032 0.020 . 1 . . . A 716 ILE HB . 19502 1 25 . 1 1 28 28 ILE HG12 H 1 1.381 0.020 . 2 . . . A 716 ILE HG12 . 19502 1 26 . 1 1 28 28 ILE HG13 H 1 1.659 0.020 . 2 . . . A 716 ILE HG13 . 19502 1 27 . 1 1 28 28 ILE HG21 H 1 1.028 0.020 . 1 . . . A 716 ILE HG21 . 19502 1 28 . 1 1 28 28 ILE HG22 H 1 1.028 0.020 . 1 . . . A 716 ILE HG22 . 19502 1 29 . 1 1 28 28 ILE HG23 H 1 1.028 0.020 . 1 . . . A 716 ILE HG23 . 19502 1 30 . 1 1 28 28 ILE HD11 H 1 0.982 0.020 . 1 . . . A 716 ILE HD11 . 19502 1 31 . 1 1 28 28 ILE HD12 H 1 0.982 0.020 . 1 . . . A 716 ILE HD12 . 19502 1 32 . 1 1 28 28 ILE HD13 H 1 0.982 0.020 . 1 . . . A 716 ILE HD13 . 19502 1 33 . 1 1 28 28 ILE CA C 13 62.829 0.300 . 1 . . . A 716 ILE CA . 19502 1 34 . 1 1 28 28 ILE CB C 13 38.166 0.300 . 1 . . . A 716 ILE CB . 19502 1 35 . 1 1 28 28 ILE CG1 C 13 28.475 0.300 . 1 . . . A 716 ILE CG1 . 19502 1 36 . 1 1 28 28 ILE CG2 C 13 18.290 0.300 . 1 . . . A 716 ILE CG2 . 19502 1 37 . 1 1 28 28 ILE CD1 C 13 13.326 0.300 . 1 . . . A 716 ILE CD1 . 19502 1 38 . 1 1 28 28 ILE N N 15 121.593 0.300 . 1 . . . A 716 ILE N . 19502 1 39 . 1 1 29 29 GLY H H 1 8.476 0.020 . 1 . . . A 717 GLY H . 19502 1 40 . 1 1 29 29 GLY HA2 H 1 4.039 0.020 . 2 . . . A 717 GLY HA2 . 19502 1 41 . 1 1 29 29 GLY HA3 H 1 3.971 0.020 . 2 . . . A 717 GLY HA3 . 19502 1 42 . 1 1 29 29 GLY CA C 13 46.674 0.300 . 1 . . . A 717 GLY CA . 19502 1 43 . 1 1 29 29 GLY N N 15 108.628 0.300 . 1 . . . A 717 GLY N . 19502 1 44 . 1 1 30 30 GLU H H 1 8.055 0.020 . 1 . . . A 718 GLU H . 19502 1 45 . 1 1 30 30 GLU HA H 1 4.277 0.020 . 1 . . . A 718 GLU HA . 19502 1 46 . 1 1 30 30 GLU HB2 H 1 2.231 0.020 . 1 . . . A 718 GLU HB2 . 19502 1 47 . 1 1 30 30 GLU HB3 H 1 2.231 0.020 . 1 . . . A 718 GLU HB3 . 19502 1 48 . 1 1 30 30 GLU HG2 H 1 2.448 0.020 . 2 . . . A 718 GLU HG2 . 19502 1 49 . 1 1 30 30 GLU HG3 H 1 2.393 0.020 . 2 . . . A 718 GLU HG3 . 19502 1 50 . 1 1 30 30 GLU CA C 13 58.187 0.300 . 1 . . . A 718 GLU CA . 19502 1 51 . 1 1 30 30 GLU CB C 13 30.037 0.300 . 1 . . . A 718 GLU CB . 19502 1 52 . 1 1 30 30 GLU CG C 13 36.889 0.300 . 1 . . . A 718 GLU CG . 19502 1 53 . 1 1 30 30 GLU N N 15 119.944 0.300 . 1 . . . A 718 GLU N . 19502 1 54 . 1 1 31 31 LEU H H 1 8.098 0.020 . 1 . . . A 719 LEU H . 19502 1 55 . 1 1 31 31 LEU HA H 1 4.378 0.020 . 1 . . . A 719 LEU HA . 19502 1 56 . 1 1 31 31 LEU HB2 H 1 2.034 0.020 . 1 . . . A 719 LEU HB2 . 19502 1 57 . 1 1 31 31 LEU HB3 H 1 1.506 0.020 . 1 . . . A 719 LEU HB3 . 19502 1 58 . 1 1 31 31 LEU HG H 1 0.920 0.020 . 1 . . . A 719 LEU HG . 19502 1 59 . 1 1 31 31 LEU HD11 H 1 0.900 0.020 . 2 . . . A 719 LEU HD11 . 19502 1 60 . 1 1 31 31 LEU HD12 H 1 0.900 0.020 . 2 . . . A 719 LEU HD12 . 19502 1 61 . 1 1 31 31 LEU HD13 H 1 0.900 0.020 . 2 . . . A 719 LEU HD13 . 19502 1 62 . 1 1 31 31 LEU HD21 H 1 1.026 0.020 . 2 . . . A 719 LEU HD21 . 19502 1 63 . 1 1 31 31 LEU HD22 H 1 1.026 0.020 . 2 . . . A 719 LEU HD22 . 19502 1 64 . 1 1 31 31 LEU HD23 H 1 1.026 0.020 . 2 . . . A 719 LEU HD23 . 19502 1 65 . 1 1 31 31 LEU CA C 13 57.342 0.300 . 1 . . . A 719 LEU CA . 19502 1 66 . 1 1 31 31 LEU CB C 13 42.040 0.300 . 1 . . . A 719 LEU CB . 19502 1 67 . 1 1 31 31 LEU CG C 13 26.059 0.300 . 1 . . . A 719 LEU CG . 19502 1 68 . 1 1 31 31 LEU CD1 C 13 22.941 0.300 . 1 . . . A 719 LEU CD1 . 19502 1 69 . 1 1 31 31 LEU CD2 C 13 21.196 0.300 . 1 . . . A 719 LEU CD2 . 19502 1 70 . 1 1 31 31 LEU N N 15 118.538 0.300 . 1 . . . A 719 LEU N . 19502 1 71 . 1 1 32 32 VAL H H 1 7.838 0.020 . 1 . . . A 720 VAL H . 19502 1 72 . 1 1 32 32 VAL HA H 1 3.704 0.020 . 1 . . . A 720 VAL HA . 19502 1 73 . 1 1 32 32 VAL HB H 1 2.203 0.020 . 1 . . . A 720 VAL HB . 19502 1 74 . 1 1 32 32 VAL HG11 H 1 1.140 0.020 . 2 . . . A 720 VAL HG11 . 19502 1 75 . 1 1 32 32 VAL HG12 H 1 1.140 0.020 . 2 . . . A 720 VAL HG12 . 19502 1 76 . 1 1 32 32 VAL HG13 H 1 1.140 0.020 . 2 . . . A 720 VAL HG13 . 19502 1 77 . 1 1 32 32 VAL HG21 H 1 1.037 0.020 . 2 . . . A 720 VAL HG21 . 19502 1 78 . 1 1 32 32 VAL HG22 H 1 1.037 0.020 . 2 . . . A 720 VAL HG22 . 19502 1 79 . 1 1 32 32 VAL HG23 H 1 1.037 0.020 . 2 . . . A 720 VAL HG23 . 19502 1 80 . 1 1 32 32 VAL CA C 13 65.619 0.300 . 1 . . . A 720 VAL CA . 19502 1 81 . 1 1 32 32 VAL CB C 13 31.924 0.300 . 1 . . . A 720 VAL CB . 19502 1 82 . 1 1 32 32 VAL CG1 C 13 22.406 0.300 . 1 . . . A 720 VAL CG1 . 19502 1 83 . 1 1 32 32 VAL CG2 C 13 21.197 0.300 . 1 . . . A 720 VAL CG2 . 19502 1 84 . 1 1 32 32 VAL N N 15 117.613 0.300 . 1 . . . A 720 VAL N . 19502 1 85 . 1 1 33 33 ARG H H 1 7.614 0.020 . 1 . . . A 721 ARG H . 19502 1 86 . 1 1 33 33 ARG HA H 1 4.179 0.020 . 1 . . . A 721 ARG HA . 19502 1 87 . 1 1 33 33 ARG HB2 H 1 1.787 0.020 . 1 . . . A 721 ARG HB2 . 19502 1 88 . 1 1 33 33 ARG HB3 H 1 1.787 0.020 . 1 . . . A 721 ARG HB3 . 19502 1 89 . 1 1 33 33 ARG HG2 H 1 1.499 0.020 . 1 . . . A 721 ARG HG2 . 19502 1 90 . 1 1 33 33 ARG HG3 H 1 1.329 0.020 . 1 . . . A 721 ARG HG3 . 19502 1 91 . 1 1 33 33 ARG HD2 H 1 3.114 0.020 . 1 . . . A 721 ARG HD2 . 19502 1 92 . 1 1 33 33 ARG HD3 H 1 3.114 0.020 . 1 . . . A 721 ARG HD3 . 19502 1 93 . 1 1 33 33 ARG CA C 13 58.420 0.300 . 1 . . . A 721 ARG CA . 19502 1 94 . 1 1 33 33 ARG CB C 13 29.587 0.300 . 1 . . . A 721 ARG CB . 19502 1 95 . 1 1 33 33 ARG CG C 13 26.954 0.300 . 1 . . . A 721 ARG CG . 19502 1 96 . 1 1 33 33 ARG CD C 13 43.471 0.300 . 1 . . . A 721 ARG CD . 19502 1 97 . 1 1 33 33 ARG N N 15 118.905 0.300 . 1 . . . A 721 ARG N . 19502 1 98 . 1 1 34 34 TYR H H 1 7.885 0.020 . 1 . . . A 722 TYR H . 19502 1 99 . 1 1 34 34 TYR HA H 1 4.349 0.020 . 1 . . . A 722 TYR HA . 19502 1 100 . 1 1 34 34 TYR HB2 H 1 2.921 0.020 . 1 . . . A 722 TYR HB2 . 19502 1 101 . 1 1 34 34 TYR HB3 H 1 3.123 0.020 . 1 . . . A 722 TYR HB3 . 19502 1 102 . 1 1 34 34 TYR HD1 H 1 7.296 0.020 . 1 . . . A 722 TYR HD1 . 19502 1 103 . 1 1 34 34 TYR HD2 H 1 7.296 0.020 . 1 . . . A 722 TYR HD2 . 19502 1 104 . 1 1 34 34 TYR HE1 H 1 6.847 0.020 . 1 . . . A 722 TYR HE1 . 19502 1 105 . 1 1 34 34 TYR HE2 H 1 6.847 0.020 . 1 . . . A 722 TYR HE2 . 19502 1 106 . 1 1 34 34 TYR CA C 13 60.065 0.300 . 1 . . . A 722 TYR CA . 19502 1 107 . 1 1 34 34 TYR CB C 13 38.831 0.300 . 1 . . . A 722 TYR CB . 19502 1 108 . 1 1 34 34 TYR CD1 C 13 133.290 0.300 . 1 . . . A 722 TYR CD1 . 19502 1 109 . 1 1 34 34 TYR CE1 C 13 118.171 0.300 . 1 . . . A 722 TYR CE1 . 19502 1 110 . 1 1 34 34 TYR N N 15 117.574 0.300 . 1 . . . A 722 TYR N . 19502 1 111 . 1 1 35 35 LEU H H 1 7.794 0.020 . 1 . . . A 723 LEU H . 19502 1 112 . 1 1 35 35 LEU HA H 1 3.995 0.020 . 1 . . . A 723 LEU HA . 19502 1 113 . 1 1 35 35 LEU HB2 H 1 1.725 0.020 . 1 . . . A 723 LEU HB2 . 19502 1 114 . 1 1 35 35 LEU HB3 H 1 1.725 0.020 . 1 . . . A 723 LEU HB3 . 19502 1 115 . 1 1 35 35 LEU HG H 1 1.701 0.020 . 1 . . . A 723 LEU HG . 19502 1 116 . 1 1 35 35 LEU HD11 H 1 0.968 0.020 . 2 . . . A 723 LEU HD11 . 19502 1 117 . 1 1 35 35 LEU HD12 H 1 0.968 0.020 . 2 . . . A 723 LEU HD12 . 19502 1 118 . 1 1 35 35 LEU HD13 H 1 0.968 0.020 . 2 . . . A 723 LEU HD13 . 19502 1 119 . 1 1 35 35 LEU HD21 H 1 0.902 0.020 . 2 . . . A 723 LEU HD21 . 19502 1 120 . 1 1 35 35 LEU HD22 H 1 0.902 0.020 . 2 . . . A 723 LEU HD22 . 19502 1 121 . 1 1 35 35 LEU HD23 H 1 0.902 0.020 . 2 . . . A 723 LEU HD23 . 19502 1 122 . 1 1 35 35 LEU CA C 13 57.555 0.300 . 1 . . . A 723 LEU CA . 19502 1 123 . 1 1 35 35 LEU CB C 13 42.038 0.300 . 1 . . . A 723 LEU CB . 19502 1 124 . 1 1 35 35 LEU CG C 13 26.762 0.300 . 1 . . . A 723 LEU CG . 19502 1 125 . 1 1 35 35 LEU CD1 C 13 25.475 0.300 . 1 . . . A 723 LEU CD1 . 19502 1 126 . 1 1 35 35 LEU CD2 C 13 25.109 0.300 . 1 . . . A 723 LEU CD2 . 19502 1 127 . 1 1 35 35 LEU N N 15 120.520 0.300 . 1 . . . A 723 LEU N . 19502 1 128 . 1 1 36 36 ASN H H 1 8.892 0.020 . 1 . . . A 724 ASN H . 19502 1 129 . 1 1 36 36 ASN HA H 1 4.612 0.020 . 1 . . . A 724 ASN HA . 19502 1 130 . 1 1 36 36 ASN HB2 H 1 3.010 0.020 . 1 . . . A 724 ASN HB2 . 19502 1 131 . 1 1 36 36 ASN HB3 H 1 3.010 0.020 . 1 . . . A 724 ASN HB3 . 19502 1 132 . 1 1 36 36 ASN HD21 H 1 7.585 0.020 . 2 . . . A 724 ASN HD21 . 19502 1 133 . 1 1 36 36 ASN HD22 H 1 6.933 0.020 . 2 . . . A 724 ASN HD22 . 19502 1 134 . 1 1 36 36 ASN CA C 13 55.237 0.300 . 1 . . . A 724 ASN CA . 19502 1 135 . 1 1 36 36 ASN CB C 13 39.277 0.300 . 1 . . . A 724 ASN CB . 19502 1 136 . 1 1 36 36 ASN N N 15 115.161 0.300 . 1 . . . A 724 ASN N . 19502 1 137 . 1 1 36 36 ASN ND2 N 15 112.578 0.300 . 1 . . . A 724 ASN ND2 . 19502 1 138 . 1 1 37 37 THR H H 1 7.874 0.020 . 1 . . . A 725 THR H . 19502 1 139 . 1 1 37 37 THR HA H 1 4.527 0.020 . 1 . . . A 725 THR HA . 19502 1 140 . 1 1 37 37 THR HB H 1 4.156 0.020 . 1 . . . A 725 THR HB . 19502 1 141 . 1 1 37 37 THR HG21 H 1 1.269 0.020 . 1 . . . A 725 THR HG21 . 19502 1 142 . 1 1 37 37 THR HG22 H 1 1.269 0.020 . 1 . . . A 725 THR HG22 . 19502 1 143 . 1 1 37 37 THR HG23 H 1 1.269 0.020 . 1 . . . A 725 THR HG23 . 19502 1 144 . 1 1 37 37 THR CA C 13 62.903 0.300 . 1 . . . A 725 THR CA . 19502 1 145 . 1 1 37 37 THR CB C 13 70.619 0.300 . 1 . . . A 725 THR CB . 19502 1 146 . 1 1 37 37 THR CG2 C 13 21.860 0.300 . 1 . . . A 725 THR CG2 . 19502 1 147 . 1 1 37 37 THR N N 15 110.273 0.300 . 1 . . . A 725 THR N . 19502 1 148 . 1 1 38 38 ASN H H 1 8.613 0.020 . 1 . . . A 726 ASN H . 19502 1 149 . 1 1 38 38 ASN HA H 1 5.139 0.020 . 1 . . . A 726 ASN HA . 19502 1 150 . 1 1 38 38 ASN HB2 H 1 3.088 0.020 . 1 . . . A 726 ASN HB2 . 19502 1 151 . 1 1 38 38 ASN HB3 H 1 3.088 0.020 . 1 . . . A 726 ASN HB3 . 19502 1 152 . 1 1 38 38 ASN HD21 H 1 7.896 0.020 . 2 . . . A 726 ASN HD21 . 19502 1 153 . 1 1 38 38 ASN HD22 H 1 7.173 0.020 . 2 . . . A 726 ASN HD22 . 19502 1 154 . 1 1 38 38 ASN CA C 13 51.838 0.300 . 1 . . . A 726 ASN CA . 19502 1 155 . 1 1 38 38 ASN CB C 13 37.907 0.300 . 1 . . . A 726 ASN CB . 19502 1 156 . 1 1 38 38 ASN N N 15 117.048 0.300 . 1 . . . A 726 ASN N . 19502 1 157 . 1 1 38 38 ASN ND2 N 15 111.341 0.300 . 1 . . . A 726 ASN ND2 . 19502 1 158 . 1 1 39 39 PRO HA H 1 4.064 0.020 . 1 . . . A 727 PRO HA . 19502 1 159 . 1 1 39 39 PRO HB2 H 1 2.363 0.020 . 1 . . . A 727 PRO HB2 . 19502 1 160 . 1 1 39 39 PRO HB3 H 1 1.929 0.020 . 1 . . . A 727 PRO HB3 . 19502 1 161 . 1 1 39 39 PRO HG2 H 1 2.350 0.020 . 2 . . . A 727 PRO HG2 . 19502 1 162 . 1 1 39 39 PRO HG3 H 1 2.111 0.020 . 2 . . . A 727 PRO HG3 . 19502 1 163 . 1 1 39 39 PRO HD2 H 1 3.988 0.020 . 2 . . . A 727 PRO HD2 . 19502 1 164 . 1 1 39 39 PRO HD3 H 1 3.603 0.020 . 2 . . . A 727 PRO HD3 . 19502 1 165 . 1 1 39 39 PRO CA C 13 65.509 0.300 . 1 . . . A 727 PRO CA . 19502 1 166 . 1 1 39 39 PRO CB C 13 31.445 0.300 . 1 . . . A 727 PRO CB . 19502 1 167 . 1 1 39 39 PRO CG C 13 28.464 0.300 . 1 . . . A 727 PRO CG . 19502 1 168 . 1 1 39 39 PRO CD C 13 50.344 0.300 . 1 . . . A 727 PRO CD . 19502 1 169 . 1 1 40 40 VAL H H 1 8.182 0.020 . 1 . . . A 728 VAL H . 19502 1 170 . 1 1 40 40 VAL HA H 1 3.400 0.020 . 1 . . . A 728 VAL HA . 19502 1 171 . 1 1 40 40 VAL HB H 1 2.047 0.020 . 1 . . . A 728 VAL HB . 19502 1 172 . 1 1 40 40 VAL HG11 H 1 0.759 0.020 . 2 . . . A 728 VAL HG11 . 19502 1 173 . 1 1 40 40 VAL HG12 H 1 0.759 0.020 . 2 . . . A 728 VAL HG12 . 19502 1 174 . 1 1 40 40 VAL HG13 H 1 0.759 0.020 . 2 . . . A 728 VAL HG13 . 19502 1 175 . 1 1 40 40 VAL HG21 H 1 0.872 0.020 . 2 . . . A 728 VAL HG21 . 19502 1 176 . 1 1 40 40 VAL HG22 H 1 0.872 0.020 . 2 . . . A 728 VAL HG22 . 19502 1 177 . 1 1 40 40 VAL HG23 H 1 0.872 0.020 . 2 . . . A 728 VAL HG23 . 19502 1 178 . 1 1 40 40 VAL CA C 13 67.566 0.300 . 1 . . . A 728 VAL CA . 19502 1 179 . 1 1 40 40 VAL CB C 13 31.426 0.300 . 1 . . . A 728 VAL CB . 19502 1 180 . 1 1 40 40 VAL CG1 C 13 23.218 0.300 . 1 . . . A 728 VAL CG1 . 19502 1 181 . 1 1 40 40 VAL CG2 C 13 21.093 0.300 . 1 . . . A 728 VAL CG2 . 19502 1 182 . 1 1 40 40 VAL N N 15 118.643 0.300 . 1 . . . A 728 VAL N . 19502 1 183 . 1 1 41 41 GLY H H 1 7.297 0.020 . 1 . . . A 729 GLY H . 19502 1 184 . 1 1 41 41 GLY HA2 H 1 3.794 0.020 . 1 . . . A 729 GLY HA2 . 19502 1 185 . 1 1 41 41 GLY HA3 H 1 3.794 0.020 . 1 . . . A 729 GLY HA3 . 19502 1 186 . 1 1 41 41 GLY CA C 13 47.650 0.300 . 1 . . . A 729 GLY CA . 19502 1 187 . 1 1 41 41 GLY N N 15 105.307 0.300 . 1 . . . A 729 GLY N . 19502 1 188 . 1 1 42 42 GLY H H 1 8.080 0.020 . 1 . . . A 730 GLY H . 19502 1 189 . 1 1 42 42 GLY HA2 H 1 2.697 0.020 . 1 . . . A 730 GLY HA2 . 19502 1 190 . 1 1 42 42 GLY HA3 H 1 2.963 0.020 . 1 . . . A 730 GLY HA3 . 19502 1 191 . 1 1 42 42 GLY CA C 13 46.692 0.300 . 1 . . . A 730 GLY CA . 19502 1 192 . 1 1 42 42 GLY N N 15 109.038 0.300 . 1 . . . A 730 GLY N . 19502 1 193 . 1 1 43 43 LEU H H 1 8.287 0.020 . 1 . . . A 731 LEU H . 19502 1 194 . 1 1 43 43 LEU HA H 1 4.036 0.020 . 1 . . . A 731 LEU HA . 19502 1 195 . 1 1 43 43 LEU HB2 H 1 1.997 0.020 . 1 . . . A 731 LEU HB2 . 19502 1 196 . 1 1 43 43 LEU HB3 H 1 1.421 0.020 . 1 . . . A 731 LEU HB3 . 19502 1 197 . 1 1 43 43 LEU HG H 1 1.533 0.020 . 1 . . . A 731 LEU HG . 19502 1 198 . 1 1 43 43 LEU HD11 H 1 0.572 0.020 . 2 . . . A 731 LEU HD11 . 19502 1 199 . 1 1 43 43 LEU HD12 H 1 0.572 0.020 . 2 . . . A 731 LEU HD12 . 19502 1 200 . 1 1 43 43 LEU HD13 H 1 0.572 0.020 . 2 . . . A 731 LEU HD13 . 19502 1 201 . 1 1 43 43 LEU HD21 H 1 0.585 0.020 . 2 . . . A 731 LEU HD21 . 19502 1 202 . 1 1 43 43 LEU HD22 H 1 0.585 0.020 . 2 . . . A 731 LEU HD22 . 19502 1 203 . 1 1 43 43 LEU HD23 H 1 0.585 0.020 . 2 . . . A 731 LEU HD23 . 19502 1 204 . 1 1 43 43 LEU CA C 13 57.596 0.300 . 1 . . . A 731 LEU CA . 19502 1 205 . 1 1 43 43 LEU CB C 13 42.215 0.300 . 1 . . . A 731 LEU CB . 19502 1 206 . 1 1 43 43 LEU CG C 13 26.772 0.300 . 1 . . . A 731 LEU CG . 19502 1 207 . 1 1 43 43 LEU CD1 C 13 23.655 0.300 . 1 . . . A 731 LEU CD1 . 19502 1 208 . 1 1 43 43 LEU CD2 C 13 26.350 0.300 . 1 . . . A 731 LEU CD2 . 19502 1 209 . 1 1 43 43 LEU N N 15 123.822 0.300 . 1 . . . A 731 LEU N . 19502 1 210 . 1 1 44 44 LEU H H 1 8.412 0.020 . 1 . . . A 732 LEU H . 19502 1 211 . 1 1 44 44 LEU HA H 1 4.086 0.020 . 1 . . . A 732 LEU HA . 19502 1 212 . 1 1 44 44 LEU HB2 H 1 1.977 0.020 . 1 . . . A 732 LEU HB2 . 19502 1 213 . 1 1 44 44 LEU HB3 H 1 1.630 0.020 . 1 . . . A 732 LEU HB3 . 19502 1 214 . 1 1 44 44 LEU HG H 1 2.013 0.020 . 1 . . . A 732 LEU HG . 19502 1 215 . 1 1 44 44 LEU HD11 H 1 0.989 0.020 . 2 . . . A 732 LEU HD11 . 19502 1 216 . 1 1 44 44 LEU HD12 H 1 0.989 0.020 . 2 . . . A 732 LEU HD12 . 19502 1 217 . 1 1 44 44 LEU HD13 H 1 0.989 0.020 . 2 . . . A 732 LEU HD13 . 19502 1 218 . 1 1 44 44 LEU HD21 H 1 0.996 0.020 . 2 . . . A 732 LEU HD21 . 19502 1 219 . 1 1 44 44 LEU HD22 H 1 0.996 0.020 . 2 . . . A 732 LEU HD22 . 19502 1 220 . 1 1 44 44 LEU HD23 H 1 0.996 0.020 . 2 . . . A 732 LEU HD23 . 19502 1 221 . 1 1 44 44 LEU CA C 13 58.508 0.300 . 1 . . . A 732 LEU CA . 19502 1 222 . 1 1 44 44 LEU CB C 13 40.983 0.300 . 1 . . . A 732 LEU CB . 19502 1 223 . 1 1 44 44 LEU CG C 13 27.706 0.300 . 1 . . . A 732 LEU CG . 19502 1 224 . 1 1 44 44 LEU CD1 C 13 23.226 0.300 . 1 . . . A 732 LEU CD1 . 19502 1 225 . 1 1 44 44 LEU CD2 C 13 25.149 0.300 . 1 . . . A 732 LEU CD2 . 19502 1 226 . 1 1 44 44 LEU N N 15 118.759 0.300 . 1 . . . A 732 LEU N . 19502 1 227 . 1 1 45 45 GLU H H 1 8.003 0.020 . 1 . . . A 733 GLU H . 19502 1 228 . 1 1 45 45 GLU HA H 1 4.273 0.020 . 1 . . . A 733 GLU HA . 19502 1 229 . 1 1 45 45 GLU HB2 H 1 2.058 0.020 . 2 . . . A 733 GLU HB2 . 19502 1 230 . 1 1 45 45 GLU HB3 H 1 2.024 0.020 . 2 . . . A 733 GLU HB3 . 19502 1 231 . 1 1 45 45 GLU HG2 H 1 2.416 0.020 . 2 . . . A 733 GLU HG2 . 19502 1 232 . 1 1 45 45 GLU HG3 H 1 2.292 0.020 . 2 . . . A 733 GLU HG3 . 19502 1 233 . 1 1 45 45 GLU CA C 13 59.073 0.300 . 1 . . . A 733 GLU CA . 19502 1 234 . 1 1 45 45 GLU CB C 13 28.980 0.300 . 1 . . . A 733 GLU CB . 19502 1 235 . 1 1 45 45 GLU CG C 13 35.764 0.300 . 1 . . . A 733 GLU CG . 19502 1 236 . 1 1 45 45 GLU N N 15 121.155 0.300 . 1 . . . A 733 GLU N . 19502 1 237 . 1 1 46 46 TYR H H 1 8.419 0.020 . 1 . . . A 734 TYR H . 19502 1 238 . 1 1 46 46 TYR HA H 1 4.181 0.020 . 1 . . . A 734 TYR HA . 19502 1 239 . 1 1 46 46 TYR HB2 H 1 3.108 0.020 . 1 . . . A 734 TYR HB2 . 19502 1 240 . 1 1 46 46 TYR HB3 H 1 3.226 0.020 . 1 . . . A 734 TYR HB3 . 19502 1 241 . 1 1 46 46 TYR HD1 H 1 6.971 0.020 . 1 . . . A 734 TYR HD1 . 19502 1 242 . 1 1 46 46 TYR HD2 H 1 6.971 0.020 . 1 . . . A 734 TYR HD2 . 19502 1 243 . 1 1 46 46 TYR HE1 H 1 6.620 0.020 . 1 . . . A 734 TYR HE1 . 19502 1 244 . 1 1 46 46 TYR HE2 H 1 6.620 0.020 . 1 . . . A 734 TYR HE2 . 19502 1 245 . 1 1 46 46 TYR CA C 13 61.959 0.300 . 1 . . . A 734 TYR CA . 19502 1 246 . 1 1 46 46 TYR CB C 13 37.844 0.300 . 1 . . . A 734 TYR CB . 19502 1 247 . 1 1 46 46 TYR CD2 C 13 132.606 0.300 . 1 . . . A 734 TYR CD2 . 19502 1 248 . 1 1 46 46 TYR CE2 C 13 118.193 0.300 . 1 . . . A 734 TYR CE2 . 19502 1 249 . 1 1 46 46 TYR N N 15 122.518 0.300 . 1 . . . A 734 TYR N . 19502 1 250 . 1 1 47 47 ALA H H 1 8.777 0.020 . 1 . . . A 735 ALA H . 19502 1 251 . 1 1 47 47 ALA HA H 1 3.812 0.020 . 1 . . . A 735 ALA HA . 19502 1 252 . 1 1 47 47 ALA HB1 H 1 1.579 0.020 . 1 . . . A 735 ALA HB1 . 19502 1 253 . 1 1 47 47 ALA HB2 H 1 1.579 0.020 . 1 . . . A 735 ALA HB2 . 19502 1 254 . 1 1 47 47 ALA HB3 H 1 1.579 0.020 . 1 . . . A 735 ALA HB3 . 19502 1 255 . 1 1 47 47 ALA CA C 13 56.172 0.300 . 1 . . . A 735 ALA CA . 19502 1 256 . 1 1 47 47 ALA CB C 13 18.833 0.300 . 1 . . . A 735 ALA CB . 19502 1 257 . 1 1 47 47 ALA N N 15 122.353 0.300 . 1 . . . A 735 ALA N . 19502 1 258 . 1 1 48 48 ARG H H 1 8.570 0.020 . 1 . . . A 736 ARG H . 19502 1 259 . 1 1 48 48 ARG HA H 1 4.173 0.020 . 1 . . . A 736 ARG HA . 19502 1 260 . 1 1 48 48 ARG HB2 H 1 1.973 0.020 . 1 . . . A 736 ARG HB2 . 19502 1 261 . 1 1 48 48 ARG HB3 H 1 2.084 0.020 . 1 . . . A 736 ARG HB3 . 19502 1 262 . 1 1 48 48 ARG HG2 H 1 1.817 0.020 . 2 . . . A 736 ARG HG2 . 19502 1 263 . 1 1 48 48 ARG HG3 H 1 1.716 0.020 . 2 . . . A 736 ARG HG3 . 19502 1 264 . 1 1 48 48 ARG HD2 H 1 3.305 0.020 . 1 . . . A 736 ARG HD2 . 19502 1 265 . 1 1 48 48 ARG HD3 H 1 3.239 0.020 . 1 . . . A 736 ARG HD3 . 19502 1 266 . 1 1 48 48 ARG CA C 13 59.523 0.300 . 1 . . . A 736 ARG CA . 19502 1 267 . 1 1 48 48 ARG CB C 13 30.156 0.300 . 1 . . . A 736 ARG CB . 19502 1 268 . 1 1 48 48 ARG CG C 13 27.081 0.300 . 1 . . . A 736 ARG CG . 19502 1 269 . 1 1 48 48 ARG CD C 13 43.425 0.300 . 1 . . . A 736 ARG CD . 19502 1 270 . 1 1 48 48 ARG N N 15 118.852 0.300 . 1 . . . A 736 ARG N . 19502 1 271 . 1 1 49 49 SER H H 1 8.257 0.020 . 1 . . . A 737 SER H . 19502 1 272 . 1 1 49 49 SER HA H 1 4.149 0.020 . 1 . . . A 737 SER HA . 19502 1 273 . 1 1 49 49 SER HB2 H 1 3.932 0.020 . 1 . . . A 737 SER HB2 . 19502 1 274 . 1 1 49 49 SER HB3 H 1 3.865 0.020 . 1 . . . A 737 SER HB3 . 19502 1 275 . 1 1 49 49 SER CA C 13 61.300 0.300 . 1 . . . A 737 SER CA . 19502 1 276 . 1 1 49 49 SER CB C 13 63.166 0.300 . 1 . . . A 737 SER CB . 19502 1 277 . 1 1 49 49 SER N N 15 115.125 0.300 . 1 . . . A 737 SER N . 19502 1 278 . 1 1 50 50 HIS H H 1 7.300 0.020 . 1 . . . A 738 HIS H . 19502 1 279 . 1 1 50 50 HIS HA H 1 4.340 0.020 . 1 . . . A 738 HIS HA . 19502 1 280 . 1 1 50 50 HIS HB2 H 1 2.825 0.020 . 1 . . . A 738 HIS HB2 . 19502 1 281 . 1 1 50 50 HIS HB3 H 1 2.171 0.020 . 1 . . . A 738 HIS HB3 . 19502 1 282 . 1 1 50 50 HIS HD2 H 1 6.684 0.020 . 1 . . . A 738 HIS HD2 . 19502 1 283 . 1 1 50 50 HIS HE1 H 1 7.850 0.020 . 1 . . . A 738 HIS HE1 . 19502 1 284 . 1 1 50 50 HIS CA C 13 57.008 0.300 . 1 . . . A 738 HIS CA . 19502 1 285 . 1 1 50 50 HIS CB C 13 30.530 0.300 . 1 . . . A 738 HIS CB . 19502 1 286 . 1 1 50 50 HIS CD2 C 13 122.333 0.300 . 1 . . . A 738 HIS CD2 . 19502 1 287 . 1 1 50 50 HIS CE1 C 13 137.724 0.300 . 1 . . . A 738 HIS CE1 . 19502 1 288 . 1 1 50 50 HIS N N 15 117.591 0.300 . 1 . . . A 738 HIS N . 19502 1 289 . 1 1 50 50 HIS ND1 N 15 195.886 0.300 . 1 . . . A 738 HIS ND1 . 19502 1 290 . 1 1 50 50 HIS NE2 N 15 203.215 0.300 . 1 . . . A 738 HIS NE2 . 19502 1 291 . 1 1 51 51 GLY H H 1 7.638 0.020 . 1 . . . A 739 GLY H . 19502 1 292 . 1 1 51 51 GLY HA2 H 1 3.773 0.020 . 1 . . . A 739 GLY HA2 . 19502 1 293 . 1 1 51 51 GLY HA3 H 1 3.878 0.020 . 1 . . . A 739 GLY HA3 . 19502 1 294 . 1 1 51 51 GLY CA C 13 46.131 0.300 . 1 . . . A 739 GLY CA . 19502 1 295 . 1 1 51 51 GLY N N 15 107.604 0.300 . 1 . . . A 739 GLY N . 19502 1 296 . 1 1 52 52 PHE H H 1 8.138 0.020 . 1 . . . A 740 PHE H . 19502 1 297 . 1 1 52 52 PHE HA H 1 5.187 0.020 . 1 . . . A 740 PHE HA . 19502 1 298 . 1 1 52 52 PHE HB2 H 1 2.563 0.020 . 1 . . . A 740 PHE HB2 . 19502 1 299 . 1 1 52 52 PHE HB3 H 1 3.312 0.020 . 1 . . . A 740 PHE HB3 . 19502 1 300 . 1 1 52 52 PHE HD1 H 1 7.080 0.020 . 1 . . . A 740 PHE HD1 . 19502 1 301 . 1 1 52 52 PHE HD2 H 1 7.080 0.020 . 1 . . . A 740 PHE HD2 . 19502 1 302 . 1 1 52 52 PHE HE1 H 1 7.384 0.020 . 1 . . . A 740 PHE HE1 . 19502 1 303 . 1 1 52 52 PHE HE2 H 1 7.384 0.020 . 1 . . . A 740 PHE HE2 . 19502 1 304 . 1 1 52 52 PHE HZ H 1 7.379 0.020 . 1 . . . A 740 PHE HZ . 19502 1 305 . 1 1 52 52 PHE CA C 13 54.403 0.300 . 1 . . . A 740 PHE CA . 19502 1 306 . 1 1 52 52 PHE CB C 13 42.982 0.300 . 1 . . . A 740 PHE CB . 19502 1 307 . 1 1 52 52 PHE CD2 C 13 131.144 0.300 . 1 . . . A 740 PHE CD2 . 19502 1 308 . 1 1 52 52 PHE CE2 C 13 131.543 0.300 . 1 . . . A 740 PHE CE2 . 19502 1 309 . 1 1 52 52 PHE CZ C 13 130.043 0.300 . 1 . . . A 740 PHE CZ . 19502 1 310 . 1 1 52 52 PHE N N 15 118.114 0.300 . 1 . . . A 740 PHE N . 19502 1 311 . 1 1 53 53 ALA H H 1 8.550 0.020 . 1 . . . A 741 ALA H . 19502 1 312 . 1 1 53 53 ALA HA H 1 4.655 0.020 . 1 . . . A 741 ALA HA . 19502 1 313 . 1 1 53 53 ALA HB1 H 1 1.411 0.020 . 1 . . . A 741 ALA HB1 . 19502 1 314 . 1 1 53 53 ALA HB2 H 1 1.411 0.020 . 1 . . . A 741 ALA HB2 . 19502 1 315 . 1 1 53 53 ALA HB3 H 1 1.411 0.020 . 1 . . . A 741 ALA HB3 . 19502 1 316 . 1 1 53 53 ALA CA C 13 51.271 0.300 . 1 . . . A 741 ALA CA . 19502 1 317 . 1 1 53 53 ALA CB C 13 19.976 0.300 . 1 . . . A 741 ALA CB . 19502 1 318 . 1 1 53 53 ALA N N 15 122.577 0.300 . 1 . . . A 741 ALA N . 19502 1 319 . 1 1 54 54 ALA H H 1 8.511 0.020 . 1 . . . A 742 ALA H . 19502 1 320 . 1 1 54 54 ALA HA H 1 4.906 0.020 . 1 . . . A 742 ALA HA . 19502 1 321 . 1 1 54 54 ALA HB1 H 1 1.105 0.020 . 1 . . . A 742 ALA HB1 . 19502 1 322 . 1 1 54 54 ALA HB2 H 1 1.105 0.020 . 1 . . . A 742 ALA HB2 . 19502 1 323 . 1 1 54 54 ALA HB3 H 1 1.105 0.020 . 1 . . . A 742 ALA HB3 . 19502 1 324 . 1 1 54 54 ALA CA C 13 51.029 0.300 . 1 . . . A 742 ALA CA . 19502 1 325 . 1 1 54 54 ALA CB C 13 20.360 0.300 . 1 . . . A 742 ALA CB . 19502 1 326 . 1 1 54 54 ALA N N 15 124.016 0.300 . 1 . . . A 742 ALA N . 19502 1 327 . 1 1 55 55 GLU H H 1 8.628 0.020 . 1 . . . A 743 GLU H . 19502 1 328 . 1 1 55 55 GLU HA H 1 4.550 0.020 . 1 . . . A 743 GLU HA . 19502 1 329 . 1 1 55 55 GLU HB2 H 1 1.912 0.020 . 2 . . . A 743 GLU HB2 . 19502 1 330 . 1 1 55 55 GLU HB3 H 1 1.831 0.020 . 2 . . . A 743 GLU HB3 . 19502 1 331 . 1 1 55 55 GLU HG2 H 1 2.087 0.020 . 2 . . . A 743 GLU HG2 . 19502 1 332 . 1 1 55 55 GLU HG3 H 1 2.016 0.020 . 2 . . . A 743 GLU HG3 . 19502 1 333 . 1 1 55 55 GLU CA C 13 54.766 0.300 . 1 . . . A 743 GLU CA . 19502 1 334 . 1 1 55 55 GLU CB C 13 33.989 0.300 . 1 . . . A 743 GLU CB . 19502 1 335 . 1 1 55 55 GLU CG C 13 36.561 0.300 . 1 . . . A 743 GLU CG . 19502 1 336 . 1 1 55 55 GLU N N 15 120.968 0.300 . 1 . . . A 743 GLU N . 19502 1 337 . 1 1 56 56 PHE H H 1 8.792 0.020 . 1 . . . A 744 PHE H . 19502 1 338 . 1 1 56 56 PHE HA H 1 4.815 0.020 . 1 . . . A 744 PHE HA . 19502 1 339 . 1 1 56 56 PHE HB2 H 1 3.115 0.020 . 1 . . . A 744 PHE HB2 . 19502 1 340 . 1 1 56 56 PHE HB3 H 1 2.738 0.020 . 1 . . . A 744 PHE HB3 . 19502 1 341 . 1 1 56 56 PHE HD1 H 1 7.103 0.020 . 1 . . . A 744 PHE HD1 . 19502 1 342 . 1 1 56 56 PHE HD2 H 1 7.103 0.020 . 1 . . . A 744 PHE HD2 . 19502 1 343 . 1 1 56 56 PHE HE1 H 1 7.157 0.020 . 1 . . . A 744 PHE HE1 . 19502 1 344 . 1 1 56 56 PHE HE2 H 1 7.157 0.020 . 1 . . . A 744 PHE HE2 . 19502 1 345 . 1 1 56 56 PHE HZ H 1 7.000 0.020 . 1 . . . A 744 PHE HZ . 19502 1 346 . 1 1 56 56 PHE CA C 13 57.171 0.300 . 1 . . . A 744 PHE CA . 19502 1 347 . 1 1 56 56 PHE CB C 13 40.375 0.300 . 1 . . . A 744 PHE CB . 19502 1 348 . 1 1 56 56 PHE CD2 C 13 131.604 0.300 . 1 . . . A 744 PHE CD2 . 19502 1 349 . 1 1 56 56 PHE CE2 C 13 131.194 0.300 . 1 . . . A 744 PHE CE2 . 19502 1 350 . 1 1 56 56 PHE CZ C 13 128.548 0.300 . 1 . . . A 744 PHE CZ . 19502 1 351 . 1 1 56 56 PHE N N 15 120.078 0.300 . 1 . . . A 744 PHE N . 19502 1 352 . 1 1 57 57 LYS H H 1 9.180 0.020 . 1 . . . A 745 LYS H . 19502 1 353 . 1 1 57 57 LYS HA H 1 4.593 0.020 . 1 . . . A 745 LYS HA . 19502 1 354 . 1 1 57 57 LYS HB2 H 1 2.061 0.020 . 1 . . . A 745 LYS HB2 . 19502 1 355 . 1 1 57 57 LYS HB3 H 1 2.033 0.020 . 1 . . . A 745 LYS HB3 . 19502 1 356 . 1 1 57 57 LYS HG2 H 1 1.375 0.020 . 1 . . . A 745 LYS HG2 . 19502 1 357 . 1 1 57 57 LYS HG3 H 1 1.520 0.020 . 1 . . . A 745 LYS HG3 . 19502 1 358 . 1 1 57 57 LYS HD2 H 1 1.816 0.020 . 1 . . . A 745 LYS HD2 . 19502 1 359 . 1 1 57 57 LYS HD3 H 1 1.816 0.020 . 1 . . . A 745 LYS HD3 . 19502 1 360 . 1 1 57 57 LYS HE2 H 1 3.154 0.020 . 2 . . . A 745 LYS HE2 . 19502 1 361 . 1 1 57 57 LYS HE3 H 1 2.994 0.020 . 2 . . . A 745 LYS HE3 . 19502 1 362 . 1 1 57 57 LYS CA C 13 55.070 0.300 . 1 . . . A 745 LYS CA . 19502 1 363 . 1 1 57 57 LYS CB C 13 33.545 0.300 . 1 . . . A 745 LYS CB . 19502 1 364 . 1 1 57 57 LYS CG C 13 24.759 0.300 . 1 . . . A 745 LYS CG . 19502 1 365 . 1 1 57 57 LYS CD C 13 29.036 0.300 . 1 . . . A 745 LYS CD . 19502 1 366 . 1 1 57 57 LYS CE C 13 42.494 0.300 . 1 . . . A 745 LYS CE . 19502 1 367 . 1 1 57 57 LYS N N 15 124.937 0.300 . 1 . . . A 745 LYS N . 19502 1 368 . 1 1 58 58 LEU H H 1 8.687 0.020 . 1 . . . A 746 LEU H . 19502 1 369 . 1 1 58 58 LEU HA H 1 3.924 0.020 . 1 . . . A 746 LEU HA . 19502 1 370 . 1 1 58 58 LEU HB2 H 1 1.906 0.020 . 2 . . . A 746 LEU HB2 . 19502 1 371 . 1 1 58 58 LEU HB3 H 1 1.206 0.020 . 2 . . . A 746 LEU HB3 . 19502 1 372 . 1 1 58 58 LEU HG H 1 1.257 0.020 . 1 . . . A 746 LEU HG . 19502 1 373 . 1 1 58 58 LEU HD11 H 1 0.945 0.020 . 2 . . . A 746 LEU HD11 . 19502 1 374 . 1 1 58 58 LEU HD12 H 1 0.945 0.020 . 2 . . . A 746 LEU HD12 . 19502 1 375 . 1 1 58 58 LEU HD13 H 1 0.945 0.020 . 2 . . . A 746 LEU HD13 . 19502 1 376 . 1 1 58 58 LEU HD21 H 1 0.769 0.020 . 2 . . . A 746 LEU HD21 . 19502 1 377 . 1 1 58 58 LEU HD22 H 1 0.769 0.020 . 2 . . . A 746 LEU HD22 . 19502 1 378 . 1 1 58 58 LEU HD23 H 1 0.769 0.020 . 2 . . . A 746 LEU HD23 . 19502 1 379 . 1 1 58 58 LEU CA C 13 54.698 0.300 . 1 . . . A 746 LEU CA . 19502 1 380 . 1 1 58 58 LEU CB C 13 40.579 0.300 . 1 . . . A 746 LEU CB . 19502 1 381 . 1 1 58 58 LEU CG C 13 27.582 0.300 . 1 . . . A 746 LEU CG . 19502 1 382 . 1 1 58 58 LEU CD1 C 13 26.042 0.300 . 1 . . . A 746 LEU CD1 . 19502 1 383 . 1 1 58 58 LEU CD2 C 13 24.314 0.300 . 1 . . . A 746 LEU CD2 . 19502 1 384 . 1 1 58 58 LEU N N 15 129.002 0.300 . 1 . . . A 746 LEU N . 19502 1 385 . 1 1 59 59 VAL H H 1 9.033 0.020 . 1 . . . A 747 VAL H . 19502 1 386 . 1 1 59 59 VAL HA H 1 3.745 0.020 . 1 . . . A 747 VAL HA . 19502 1 387 . 1 1 59 59 VAL HB H 1 1.603 0.020 . 1 . . . A 747 VAL HB . 19502 1 388 . 1 1 59 59 VAL HG11 H 1 0.768 0.020 . 2 . . . A 747 VAL HG11 . 19502 1 389 . 1 1 59 59 VAL HG12 H 1 0.768 0.020 . 2 . . . A 747 VAL HG12 . 19502 1 390 . 1 1 59 59 VAL HG13 H 1 0.768 0.020 . 2 . . . A 747 VAL HG13 . 19502 1 391 . 1 1 59 59 VAL HG21 H 1 1.020 0.020 . 2 . . . A 747 VAL HG21 . 19502 1 392 . 1 1 59 59 VAL HG22 H 1 1.020 0.020 . 2 . . . A 747 VAL HG22 . 19502 1 393 . 1 1 59 59 VAL HG23 H 1 1.020 0.020 . 2 . . . A 747 VAL HG23 . 19502 1 394 . 1 1 59 59 VAL CA C 13 64.134 0.300 . 1 . . . A 747 VAL CA . 19502 1 395 . 1 1 59 59 VAL CB C 13 32.971 0.300 . 1 . . . A 747 VAL CB . 19502 1 396 . 1 1 59 59 VAL CG1 C 13 21.618 0.300 . 1 . . . A 747 VAL CG1 . 19502 1 397 . 1 1 59 59 VAL CG2 C 13 22.139 0.300 . 1 . . . A 747 VAL CG2 . 19502 1 398 . 1 1 59 59 VAL N N 15 131.114 0.300 . 1 . . . A 747 VAL N . 19502 1 399 . 1 1 60 60 ASP H H 1 7.426 0.020 . 1 . . . A 748 ASP H . 19502 1 400 . 1 1 60 60 ASP HA H 1 4.784 0.020 . 1 . . . A 748 ASP HA . 19502 1 401 . 1 1 60 60 ASP HB2 H 1 1.909 0.020 . 2 . . . A 748 ASP HB2 . 19502 1 402 . 1 1 60 60 ASP HB3 H 1 2.622 0.020 . 2 . . . A 748 ASP HB3 . 19502 1 403 . 1 1 60 60 ASP CA C 13 54.334 0.300 . 1 . . . A 748 ASP CA . 19502 1 404 . 1 1 60 60 ASP CB C 13 46.191 0.300 . 1 . . . A 748 ASP CB . 19502 1 405 . 1 1 60 60 ASP N N 15 113.346 0.300 . 1 . . . A 748 ASP N . 19502 1 406 . 1 1 61 61 GLN H H 1 7.647 0.020 . 1 . . . A 749 GLN H . 19502 1 407 . 1 1 61 61 GLN HA H 1 5.070 0.020 . 1 . . . A 749 GLN HA . 19502 1 408 . 1 1 61 61 GLN HB2 H 1 1.930 0.020 . 1 . . . A 749 GLN HB2 . 19502 1 409 . 1 1 61 61 GLN HB3 H 1 1.930 0.020 . 1 . . . A 749 GLN HB3 . 19502 1 410 . 1 1 61 61 GLN HG2 H 1 1.950 0.020 . 1 . . . A 749 GLN HG2 . 19502 1 411 . 1 1 61 61 GLN HG3 H 1 1.950 0.020 . 1 . . . A 749 GLN HG3 . 19502 1 412 . 1 1 61 61 GLN HE21 H 1 7.125 0.020 . 2 . . . A 749 GLN HE21 . 19502 1 413 . 1 1 61 61 GLN HE22 H 1 6.724 0.020 . 2 . . . A 749 GLN HE22 . 19502 1 414 . 1 1 61 61 GLN CA C 13 54.603 0.300 . 1 . . . A 749 GLN CA . 19502 1 415 . 1 1 61 61 GLN CB C 13 31.923 0.300 . 1 . . . A 749 GLN CB . 19502 1 416 . 1 1 61 61 GLN CG C 13 33.341 0.300 . 1 . . . A 749 GLN CG . 19502 1 417 . 1 1 61 61 GLN N N 15 120.867 0.300 . 1 . . . A 749 GLN N . 19502 1 418 . 1 1 61 61 GLN NE2 N 15 110.655 0.300 . 1 . . . A 749 GLN NE2 . 19502 1 419 . 1 1 62 62 SER H H 1 8.891 0.020 . 1 . . . A 750 SER H . 19502 1 420 . 1 1 62 62 SER HA H 1 4.791 0.020 . 1 . . . A 750 SER HA . 19502 1 421 . 1 1 62 62 SER HB2 H 1 3.783 0.020 . 1 . . . A 750 SER HB2 . 19502 1 422 . 1 1 62 62 SER HB3 H 1 3.783 0.020 . 1 . . . A 750 SER HB3 . 19502 1 423 . 1 1 62 62 SER CA C 13 57.575 0.300 . 1 . . . A 750 SER CA . 19502 1 424 . 1 1 62 62 SER CB C 13 65.910 0.300 . 1 . . . A 750 SER CB . 19502 1 425 . 1 1 62 62 SER N N 15 119.661 0.300 . 1 . . . A 750 SER N . 19502 1 426 . 1 1 63 63 GLY H H 1 8.183 0.020 . 1 . . . A 751 GLY H . 19502 1 427 . 1 1 63 63 GLY HA2 H 1 3.779 0.020 . 1 . . . A 751 GLY HA2 . 19502 1 428 . 1 1 63 63 GLY HA3 H 1 3.779 0.020 . 1 . . . A 751 GLY HA3 . 19502 1 429 . 1 1 63 63 GLY CA C 13 44.214 0.300 . 1 . . . A 751 GLY CA . 19502 1 430 . 1 1 63 63 GLY N N 15 106.531 0.300 . 1 . . . A 751 GLY N . 19502 1 431 . 1 1 64 64 PRO HA H 1 4.848 0.020 . 1 . . . A 752 PRO HA . 19502 1 432 . 1 1 64 64 PRO HB2 H 1 2.373 0.020 . 1 . . . A 752 PRO HB2 . 19502 1 433 . 1 1 64 64 PRO HB3 H 1 1.957 0.020 . 1 . . . A 752 PRO HB3 . 19502 1 434 . 1 1 64 64 PRO HG2 H 1 2.058 0.020 . 1 . . . A 752 PRO HG2 . 19502 1 435 . 1 1 64 64 PRO HG3 H 1 1.382 0.020 . 1 . . . A 752 PRO HG3 . 19502 1 436 . 1 1 64 64 PRO HD2 H 1 3.723 0.020 . 1 . . . A 752 PRO HD2 . 19502 1 437 . 1 1 64 64 PRO HD3 H 1 3.572 0.020 . 1 . . . A 752 PRO HD3 . 19502 1 438 . 1 1 64 64 PRO CA C 13 61.538 0.300 . 1 . . . A 752 PRO CA . 19502 1 439 . 1 1 64 64 PRO CB C 13 30.898 0.300 . 1 . . . A 752 PRO CB . 19502 1 440 . 1 1 64 64 PRO CG C 13 26.861 0.300 . 1 . . . A 752 PRO CG . 19502 1 441 . 1 1 64 64 PRO CD C 13 48.879 0.300 . 1 . . . A 752 PRO CD . 19502 1 442 . 1 1 65 65 PRO HA H 1 4.226 0.020 . 1 . . . A 753 PRO HA . 19502 1 443 . 1 1 65 65 PRO HB2 H 1 2.043 0.020 . 1 . . . A 753 PRO HB2 . 19502 1 444 . 1 1 65 65 PRO HB3 H 1 2.447 0.020 . 1 . . . A 753 PRO HB3 . 19502 1 445 . 1 1 65 65 PRO HG2 H 1 2.145 0.020 . 2 . . . A 753 PRO HG2 . 19502 1 446 . 1 1 65 65 PRO HG3 H 1 2.252 0.020 . 2 . . . A 753 PRO HG3 . 19502 1 447 . 1 1 65 65 PRO HD2 H 1 3.905 0.020 . 2 . . . A 753 PRO HD2 . 19502 1 448 . 1 1 65 65 PRO HD3 H 1 3.847 0.020 . 2 . . . A 753 PRO HD3 . 19502 1 449 . 1 1 65 65 PRO CA C 13 65.345 0.300 . 1 . . . A 753 PRO CA . 19502 1 450 . 1 1 65 65 PRO CB C 13 31.907 0.300 . 1 . . . A 753 PRO CB . 19502 1 451 . 1 1 65 65 PRO CG C 13 27.894 0.300 . 1 . . . A 753 PRO CG . 19502 1 452 . 1 1 65 65 PRO CD C 13 50.317 0.300 . 1 . . . A 753 PRO CD . 19502 1 453 . 1 1 66 66 HIS H H 1 7.707 0.020 . 1 . . . A 754 HIS H . 19502 1 454 . 1 1 66 66 HIS HA H 1 4.758 0.020 . 1 . . . A 754 HIS HA . 19502 1 455 . 1 1 66 66 HIS HB2 H 1 3.431 0.020 . 1 . . . A 754 HIS HB2 . 19502 1 456 . 1 1 66 66 HIS HB3 H 1 3.080 0.020 . 1 . . . A 754 HIS HB3 . 19502 1 457 . 1 1 66 66 HIS HD2 H 1 7.095 0.020 . 1 . . . A 754 HIS HD2 . 19502 1 458 . 1 1 66 66 HIS HE1 H 1 7.863 0.020 . 1 . . . A 754 HIS HE1 . 19502 1 459 . 1 1 66 66 HIS CA C 13 56.229 0.300 . 1 . . . A 754 HIS CA . 19502 1 460 . 1 1 66 66 HIS CB C 13 30.494 0.300 . 1 . . . A 754 HIS CB . 19502 1 461 . 1 1 66 66 HIS CD2 C 13 118.766 0.300 . 1 . . . A 754 HIS CD2 . 19502 1 462 . 1 1 66 66 HIS CE1 C 13 139.629 0.300 . 1 . . . A 754 HIS CE1 . 19502 1 463 . 1 1 66 66 HIS N N 15 109.780 0.300 . 1 . . . A 754 HIS N . 19502 1 464 . 1 1 66 66 HIS ND1 N 15 241.401 0.300 . 1 . . . A 754 HIS ND1 . 19502 1 465 . 1 1 66 66 HIS NE2 N 15 171.497 0.300 . 1 . . . A 754 HIS NE2 . 19502 1 466 . 1 1 67 67 GLU H H 1 7.404 0.020 . 1 . . . A 755 GLU H . 19502 1 467 . 1 1 67 67 GLU HA H 1 4.612 0.020 . 1 . . . A 755 GLU HA . 19502 1 468 . 1 1 67 67 GLU HB2 H 1 1.885 0.020 . 1 . . . A 755 GLU HB2 . 19502 1 469 . 1 1 67 67 GLU HB3 H 1 1.544 0.020 . 1 . . . A 755 GLU HB3 . 19502 1 470 . 1 1 67 67 GLU HG2 H 1 2.051 0.020 . 2 . . . A 755 GLU HG2 . 19502 1 471 . 1 1 67 67 GLU HG3 H 1 2.088 0.020 . 2 . . . A 755 GLU HG3 . 19502 1 472 . 1 1 67 67 GLU CA C 13 54.649 0.300 . 1 . . . A 755 GLU CA . 19502 1 473 . 1 1 67 67 GLU CB C 13 30.813 0.300 . 1 . . . A 755 GLU CB . 19502 1 474 . 1 1 67 67 GLU CG C 13 36.939 0.300 . 1 . . . A 755 GLU CG . 19502 1 475 . 1 1 67 67 GLU N N 15 122.843 0.300 . 1 . . . A 755 GLU N . 19502 1 476 . 1 1 68 68 PRO HA H 1 4.617 0.020 . 1 . . . A 756 PRO HA . 19502 1 477 . 1 1 68 68 PRO HB2 H 1 1.507 0.020 . 2 . . . A 756 PRO HB2 . 19502 1 478 . 1 1 68 68 PRO HB3 H 1 2.012 0.020 . 2 . . . A 756 PRO HB3 . 19502 1 479 . 1 1 68 68 PRO HG2 H 1 2.083 0.020 . 2 . . . A 756 PRO HG2 . 19502 1 480 . 1 1 68 68 PRO HG3 H 1 2.258 0.020 . 2 . . . A 756 PRO HG3 . 19502 1 481 . 1 1 68 68 PRO HD2 H 1 3.626 0.020 . 1 . . . A 756 PRO HD2 . 19502 1 482 . 1 1 68 68 PRO HD3 H 1 3.465 0.020 . 1 . . . A 756 PRO HD3 . 19502 1 483 . 1 1 68 68 PRO CA C 13 63.116 0.300 . 1 . . . A 756 PRO CA . 19502 1 484 . 1 1 68 68 PRO CB C 13 33.251 0.300 . 1 . . . A 756 PRO CB . 19502 1 485 . 1 1 68 68 PRO CG C 13 26.972 0.300 . 1 . . . A 756 PRO CG . 19502 1 486 . 1 1 68 68 PRO CD C 13 49.621 0.300 . 1 . . . A 756 PRO CD . 19502 1 487 . 1 1 69 69 LYS H H 1 8.195 0.020 . 1 . . . A 757 LYS H . 19502 1 488 . 1 1 69 69 LYS HA H 1 4.604 0.020 . 1 . . . A 757 LYS HA . 19502 1 489 . 1 1 69 69 LYS HB2 H 1 1.517 0.020 . 1 . . . A 757 LYS HB2 . 19502 1 490 . 1 1 69 69 LYS HB3 H 1 1.517 0.020 . 1 . . . A 757 LYS HB3 . 19502 1 491 . 1 1 69 69 LYS HG2 H 1 1.177 0.020 . 1 . . . A 757 LYS HG2 . 19502 1 492 . 1 1 69 69 LYS HG3 H 1 1.177 0.020 . 1 . . . A 757 LYS HG3 . 19502 1 493 . 1 1 69 69 LYS HD2 H 1 1.557 0.020 . 1 . . . A 757 LYS HD2 . 19502 1 494 . 1 1 69 69 LYS HD3 H 1 1.557 0.020 . 1 . . . A 757 LYS HD3 . 19502 1 495 . 1 1 69 69 LYS HE2 H 1 2.869 0.020 . 1 . . . A 757 LYS HE2 . 19502 1 496 . 1 1 69 69 LYS HE3 H 1 2.869 0.020 . 1 . . . A 757 LYS HE3 . 19502 1 497 . 1 1 69 69 LYS CA C 13 55.644 0.300 . 1 . . . A 757 LYS CA . 19502 1 498 . 1 1 69 69 LYS CB C 13 35.196 0.300 . 1 . . . A 757 LYS CB . 19502 1 499 . 1 1 69 69 LYS CG C 13 24.918 0.300 . 1 . . . A 757 LYS CG . 19502 1 500 . 1 1 69 69 LYS CD C 13 29.353 0.300 . 1 . . . A 757 LYS CD . 19502 1 501 . 1 1 69 69 LYS CE C 13 41.370 0.300 . 1 . . . A 757 LYS CE . 19502 1 502 . 1 1 69 69 LYS N N 15 119.032 0.300 . 1 . . . A 757 LYS N . 19502 1 503 . 1 1 70 70 PHE H H 1 8.844 0.020 . 1 . . . A 758 PHE H . 19502 1 504 . 1 1 70 70 PHE HA H 1 5.040 0.020 . 1 . . . A 758 PHE HA . 19502 1 505 . 1 1 70 70 PHE HB2 H 1 2.624 0.020 . 1 . . . A 758 PHE HB2 . 19502 1 506 . 1 1 70 70 PHE HB3 H 1 2.624 0.020 . 1 . . . A 758 PHE HB3 . 19502 1 507 . 1 1 70 70 PHE HD1 H 1 7.034 0.020 . 1 . . . A 758 PHE HD1 . 19502 1 508 . 1 1 70 70 PHE HD2 H 1 7.034 0.020 . 1 . . . A 758 PHE HD2 . 19502 1 509 . 1 1 70 70 PHE HE1 H 1 7.288 0.020 . 1 . . . A 758 PHE HE1 . 19502 1 510 . 1 1 70 70 PHE HE2 H 1 7.288 0.020 . 1 . . . A 758 PHE HE2 . 19502 1 511 . 1 1 70 70 PHE HZ H 1 7.374 0.020 . 1 . . . A 758 PHE HZ . 19502 1 512 . 1 1 70 70 PHE CA C 13 56.816 0.300 . 1 . . . A 758 PHE CA . 19502 1 513 . 1 1 70 70 PHE CB C 13 43.300 0.300 . 1 . . . A 758 PHE CB . 19502 1 514 . 1 1 70 70 PHE CD1 C 13 131.790 0.300 . 1 . . . A 758 PHE CD1 . 19502 1 515 . 1 1 70 70 PHE CE1 C 13 131.462 0.300 . 1 . . . A 758 PHE CE1 . 19502 1 516 . 1 1 70 70 PHE N N 15 120.288 0.300 . 1 . . . A 758 PHE N . 19502 1 517 . 1 1 71 71 VAL H H 1 8.609 0.020 . 1 . . . A 759 VAL H . 19502 1 518 . 1 1 71 71 VAL HA H 1 5.392 0.020 . 1 . . . A 759 VAL HA . 19502 1 519 . 1 1 71 71 VAL HB H 1 1.783 0.020 . 1 . . . A 759 VAL HB . 19502 1 520 . 1 1 71 71 VAL HG11 H 1 0.919 0.020 . 2 . . . A 759 VAL HG11 . 19502 1 521 . 1 1 71 71 VAL HG12 H 1 0.919 0.020 . 2 . . . A 759 VAL HG12 . 19502 1 522 . 1 1 71 71 VAL HG13 H 1 0.919 0.020 . 2 . . . A 759 VAL HG13 . 19502 1 523 . 1 1 71 71 VAL HG21 H 1 0.773 0.020 . 2 . . . A 759 VAL HG21 . 19502 1 524 . 1 1 71 71 VAL HG22 H 1 0.773 0.020 . 2 . . . A 759 VAL HG22 . 19502 1 525 . 1 1 71 71 VAL HG23 H 1 0.773 0.020 . 2 . . . A 759 VAL HG23 . 19502 1 526 . 1 1 71 71 VAL CA C 13 60.650 0.300 . 1 . . . A 759 VAL CA . 19502 1 527 . 1 1 71 71 VAL CB C 13 33.238 0.300 . 1 . . . A 759 VAL CB . 19502 1 528 . 1 1 71 71 VAL CG1 C 13 21.090 0.300 . 1 . . . A 759 VAL CG1 . 19502 1 529 . 1 1 71 71 VAL CG2 C 13 21.643 0.300 . 1 . . . A 759 VAL CG2 . 19502 1 530 . 1 1 71 71 VAL N N 15 121.385 0.300 . 1 . . . A 759 VAL N . 19502 1 531 . 1 1 72 72 TYR H H 1 8.903 0.020 . 1 . . . A 760 TYR H . 19502 1 532 . 1 1 72 72 TYR HA H 1 5.797 0.020 . 1 . . . A 760 TYR HA . 19502 1 533 . 1 1 72 72 TYR HB2 H 1 2.679 0.020 . 1 . . . A 760 TYR HB2 . 19502 1 534 . 1 1 72 72 TYR HB3 H 1 2.544 0.020 . 1 . . . A 760 TYR HB3 . 19502 1 535 . 1 1 72 72 TYR HD1 H 1 6.716 0.020 . 1 . . . A 760 TYR HD1 . 19502 1 536 . 1 1 72 72 TYR HD2 H 1 6.716 0.020 . 1 . . . A 760 TYR HD2 . 19502 1 537 . 1 1 72 72 TYR HE1 H 1 6.556 0.020 . 1 . . . A 760 TYR HE1 . 19502 1 538 . 1 1 72 72 TYR HE2 H 1 6.556 0.020 . 1 . . . A 760 TYR HE2 . 19502 1 539 . 1 1 72 72 TYR CA C 13 56.920 0.300 . 1 . . . A 760 TYR CA . 19502 1 540 . 1 1 72 72 TYR CB C 13 46.853 0.300 . 1 . . . A 760 TYR CB . 19502 1 541 . 1 1 72 72 TYR CD1 C 13 131.547 0.300 . 1 . . . A 760 TYR CD1 . 19502 1 542 . 1 1 72 72 TYR CE1 C 13 118.353 0.300 . 1 . . . A 760 TYR CE1 . 19502 1 543 . 1 1 72 72 TYR N N 15 126.374 0.300 . 1 . . . A 760 TYR N . 19502 1 544 . 1 1 73 73 GLN H H 1 9.016 0.020 . 1 . . . A 761 GLN H . 19502 1 545 . 1 1 73 73 GLN HA H 1 4.824 0.020 . 1 . . . A 761 GLN HA . 19502 1 546 . 1 1 73 73 GLN HB2 H 1 2.066 0.020 . 1 . . . A 761 GLN HB2 . 19502 1 547 . 1 1 73 73 GLN HB3 H 1 2.066 0.020 . 1 . . . A 761 GLN HB3 . 19502 1 548 . 1 1 73 73 GLN HG2 H 1 2.592 0.020 . 1 . . . A 761 GLN HG2 . 19502 1 549 . 1 1 73 73 GLN HG3 H 1 2.592 0.020 . 1 . . . A 761 GLN HG3 . 19502 1 550 . 1 1 73 73 GLN HE21 H 1 8.513 0.020 . 1 . . . A 761 GLN HE21 . 19502 1 551 . 1 1 73 73 GLN HE22 H 1 6.642 0.020 . 1 . . . A 761 GLN HE22 . 19502 1 552 . 1 1 73 73 GLN CA C 13 55.526 0.300 . 1 . . . A 761 GLN CA . 19502 1 553 . 1 1 73 73 GLN CB C 13 33.318 0.300 . 1 . . . A 761 GLN CB . 19502 1 554 . 1 1 73 73 GLN CG C 13 33.837 0.300 . 1 . . . A 761 GLN CG . 19502 1 555 . 1 1 73 73 GLN N N 15 115.228 0.300 . 1 . . . A 761 GLN N . 19502 1 556 . 1 1 73 73 GLN NE2 N 15 109.053 0.300 . 1 . . . A 761 GLN NE2 . 19502 1 557 . 1 1 74 74 ALA H H 1 9.500 0.020 . 1 . . . A 762 ALA H . 19502 1 558 . 1 1 74 74 ALA HA H 1 5.181 0.020 . 1 . . . A 762 ALA HA . 19502 1 559 . 1 1 74 74 ALA HB1 H 1 1.016 0.020 . 1 . . . A 762 ALA HB1 . 19502 1 560 . 1 1 74 74 ALA HB2 H 1 1.016 0.020 . 1 . . . A 762 ALA HB2 . 19502 1 561 . 1 1 74 74 ALA HB3 H 1 1.016 0.020 . 1 . . . A 762 ALA HB3 . 19502 1 562 . 1 1 74 74 ALA CA C 13 50.875 0.300 . 1 . . . A 762 ALA CA . 19502 1 563 . 1 1 74 74 ALA CB C 13 20.151 0.300 . 1 . . . A 762 ALA CB . 19502 1 564 . 1 1 74 74 ALA N N 15 128.023 0.300 . 1 . . . A 762 ALA N . 19502 1 565 . 1 1 75 75 LYS H H 1 8.347 0.020 . 1 . . . A 763 LYS H . 19502 1 566 . 1 1 75 75 LYS HA H 1 4.864 0.020 . 1 . . . A 763 LYS HA . 19502 1 567 . 1 1 75 75 LYS HB2 H 1 0.747 0.020 . 1 . . . A 763 LYS HB2 . 19502 1 568 . 1 1 75 75 LYS HB3 H 1 0.946 0.020 . 1 . . . A 763 LYS HB3 . 19502 1 569 . 1 1 75 75 LYS HG2 H 1 0.481 0.020 . 2 . . . A 763 LYS HG2 . 19502 1 570 . 1 1 75 75 LYS HG3 H 1 -0.225 0.020 . 2 . . . A 763 LYS HG3 . 19502 1 571 . 1 1 75 75 LYS HD2 H 1 0.753 0.020 . 1 . . . A 763 LYS HD2 . 19502 1 572 . 1 1 75 75 LYS HD3 H 1 0.753 0.020 . 1 . . . A 763 LYS HD3 . 19502 1 573 . 1 1 75 75 LYS HE2 H 1 2.304 0.020 . 2 . . . A 763 LYS HE2 . 19502 1 574 . 1 1 75 75 LYS HE3 H 1 2.548 0.020 . 2 . . . A 763 LYS HE3 . 19502 1 575 . 1 1 75 75 LYS CA C 13 55.145 0.300 . 1 . . . A 763 LYS CA . 19502 1 576 . 1 1 75 75 LYS CB C 13 36.456 0.300 . 1 . . . A 763 LYS CB . 19502 1 577 . 1 1 75 75 LYS CG C 13 23.744 0.300 . 1 . . . A 763 LYS CG . 19502 1 578 . 1 1 75 75 LYS CD C 13 29.368 0.300 . 1 . . . A 763 LYS CD . 19502 1 579 . 1 1 75 75 LYS CE C 13 42.072 0.300 . 1 . . . A 763 LYS CE . 19502 1 580 . 1 1 75 75 LYS N N 15 122.022 0.300 . 1 . . . A 763 LYS N . 19502 1 581 . 1 1 76 76 VAL H H 1 8.703 0.020 . 1 . . . A 764 VAL H . 19502 1 582 . 1 1 76 76 VAL HA H 1 4.627 0.020 . 1 . . . A 764 VAL HA . 19502 1 583 . 1 1 76 76 VAL HB H 1 2.140 0.020 . 1 . . . A 764 VAL HB . 19502 1 584 . 1 1 76 76 VAL HG11 H 1 0.969 0.020 . 2 . . . A 764 VAL HG11 . 19502 1 585 . 1 1 76 76 VAL HG12 H 1 0.969 0.020 . 2 . . . A 764 VAL HG12 . 19502 1 586 . 1 1 76 76 VAL HG13 H 1 0.969 0.020 . 2 . . . A 764 VAL HG13 . 19502 1 587 . 1 1 76 76 VAL HG21 H 1 0.862 0.020 . 2 . . . A 764 VAL HG21 . 19502 1 588 . 1 1 76 76 VAL HG22 H 1 0.862 0.020 . 2 . . . A 764 VAL HG22 . 19502 1 589 . 1 1 76 76 VAL HG23 H 1 0.862 0.020 . 2 . . . A 764 VAL HG23 . 19502 1 590 . 1 1 76 76 VAL CA C 13 60.966 0.300 . 1 . . . A 764 VAL CA . 19502 1 591 . 1 1 76 76 VAL CB C 13 34.820 0.300 . 1 . . . A 764 VAL CB . 19502 1 592 . 1 1 76 76 VAL CG1 C 13 22.073 0.300 . 1 . . . A 764 VAL CG1 . 19502 1 593 . 1 1 76 76 VAL CG2 C 13 21.244 0.300 . 1 . . . A 764 VAL CG2 . 19502 1 594 . 1 1 76 76 VAL N N 15 123.980 0.300 . 1 . . . A 764 VAL N . 19502 1 595 . 1 1 77 77 GLY H H 1 9.151 0.020 . 1 . . . A 765 GLY H . 19502 1 596 . 1 1 77 77 GLY HA2 H 1 3.484 0.020 . 2 . . . A 765 GLY HA2 . 19502 1 597 . 1 1 77 77 GLY HA3 H 1 2.889 0.020 . 2 . . . A 765 GLY HA3 . 19502 1 598 . 1 1 77 77 GLY CA C 13 46.623 0.300 . 1 . . . A 765 GLY CA . 19502 1 599 . 1 1 77 77 GLY N N 15 119.292 0.300 . 1 . . . A 765 GLY N . 19502 1 600 . 1 1 78 78 GLY HA2 H 1 3.718 0.020 . 2 . . . A 766 GLY HA2 . 19502 1 601 . 1 1 78 78 GLY HA3 H 1 3.983 0.020 . 2 . . . A 766 GLY HA3 . 19502 1 602 . 1 1 78 78 GLY CA C 13 45.190 0.300 . 1 . . . A 766 GLY CA . 19502 1 603 . 1 1 79 79 ARG H H 1 7.595 0.020 . 1 . . . A 767 ARG H . 19502 1 604 . 1 1 79 79 ARG HA H 1 4.393 0.020 . 1 . . . A 767 ARG HA . 19502 1 605 . 1 1 79 79 ARG HB2 H 1 1.714 0.020 . 2 . . . A 767 ARG HB2 . 19502 1 606 . 1 1 79 79 ARG HB3 H 1 1.469 0.020 . 2 . . . A 767 ARG HB3 . 19502 1 607 . 1 1 79 79 ARG HG2 H 1 1.656 0.020 . 2 . . . A 767 ARG HG2 . 19502 1 608 . 1 1 79 79 ARG HG3 H 1 1.231 0.020 . 2 . . . A 767 ARG HG3 . 19502 1 609 . 1 1 79 79 ARG HD2 H 1 3.071 0.020 . 2 . . . A 767 ARG HD2 . 19502 1 610 . 1 1 79 79 ARG HD3 H 1 3.148 0.020 . 2 . . . A 767 ARG HD3 . 19502 1 611 . 1 1 79 79 ARG CA C 13 55.349 0.300 . 1 . . . A 767 ARG CA . 19502 1 612 . 1 1 79 79 ARG CB C 13 32.319 0.300 . 1 . . . A 767 ARG CB . 19502 1 613 . 1 1 79 79 ARG CG C 13 27.345 0.300 . 1 . . . A 767 ARG CG . 19502 1 614 . 1 1 79 79 ARG CD C 13 43.895 0.300 . 1 . . . A 767 ARG CD . 19502 1 615 . 1 1 79 79 ARG N N 15 119.571 0.300 . 1 . . . A 767 ARG N . 19502 1 616 . 1 1 80 80 TRP H H 1 8.056 0.020 . 1 . . . A 768 TRP H . 19502 1 617 . 1 1 80 80 TRP HA H 1 4.570 0.020 . 1 . . . A 768 TRP HA . 19502 1 618 . 1 1 80 80 TRP HB2 H 1 2.899 0.020 . 1 . . . A 768 TRP HB2 . 19502 1 619 . 1 1 80 80 TRP HB3 H 1 2.899 0.020 . 1 . . . A 768 TRP HB3 . 19502 1 620 . 1 1 80 80 TRP HD1 H 1 7.216 0.020 . 1 . . . A 768 TRP HD1 . 19502 1 621 . 1 1 80 80 TRP HE1 H 1 10.418 0.020 . 1 . . . A 768 TRP HE1 . 19502 1 622 . 1 1 80 80 TRP HE3 H 1 7.423 0.020 . 1 . . . A 768 TRP HE3 . 19502 1 623 . 1 1 80 80 TRP HZ2 H 1 7.537 0.020 . 1 . . . A 768 TRP HZ2 . 19502 1 624 . 1 1 80 80 TRP HZ3 H 1 6.894 0.020 . 1 . . . A 768 TRP HZ3 . 19502 1 625 . 1 1 80 80 TRP HH2 H 1 7.240 0.020 . 1 . . . A 768 TRP HH2 . 19502 1 626 . 1 1 80 80 TRP CA C 13 56.466 0.300 . 1 . . . A 768 TRP CA . 19502 1 627 . 1 1 80 80 TRP CB C 13 30.218 0.300 . 1 . . . A 768 TRP CB . 19502 1 628 . 1 1 80 80 TRP CD1 C 13 126.502 0.300 . 1 . . . A 768 TRP CD1 . 19502 1 629 . 1 1 80 80 TRP CE3 C 13 119.648 0.300 . 1 . . . A 768 TRP CE3 . 19502 1 630 . 1 1 80 80 TRP CZ2 C 13 115.008 0.300 . 1 . . . A 768 TRP CZ2 . 19502 1 631 . 1 1 80 80 TRP CZ3 C 13 121.842 0.300 . 1 . . . A 768 TRP CZ3 . 19502 1 632 . 1 1 80 80 TRP CH2 C 13 124.657 0.300 . 1 . . . A 768 TRP CH2 . 19502 1 633 . 1 1 80 80 TRP N N 15 122.976 0.300 . 1 . . . A 768 TRP N . 19502 1 634 . 1 1 80 80 TRP NE1 N 15 130.218 0.300 . 1 . . . A 768 TRP NE1 . 19502 1 635 . 1 1 81 81 PHE H H 1 7.532 0.020 . 1 . . . A 769 PHE H . 19502 1 636 . 1 1 81 81 PHE HA H 1 4.750 0.020 . 1 . . . A 769 PHE HA . 19502 1 637 . 1 1 81 81 PHE HB2 H 1 2.912 0.020 . 1 . . . A 769 PHE HB2 . 19502 1 638 . 1 1 81 81 PHE HB3 H 1 2.912 0.020 . 1 . . . A 769 PHE HB3 . 19502 1 639 . 1 1 81 81 PHE HD1 H 1 6.965 0.020 . 1 . . . A 769 PHE HD1 . 19502 1 640 . 1 1 81 81 PHE HD2 H 1 6.965 0.020 . 1 . . . A 769 PHE HD2 . 19502 1 641 . 1 1 81 81 PHE HE1 H 1 7.067 0.020 . 1 . . . A 769 PHE HE1 . 19502 1 642 . 1 1 81 81 PHE HE2 H 1 7.067 0.020 . 1 . . . A 769 PHE HE2 . 19502 1 643 . 1 1 81 81 PHE HZ H 1 6.977 0.020 . 1 . . . A 769 PHE HZ . 19502 1 644 . 1 1 81 81 PHE CA C 13 57.729 0.300 . 1 . . . A 769 PHE CA . 19502 1 645 . 1 1 81 81 PHE CB C 13 39.297 0.300 . 1 . . . A 769 PHE CB . 19502 1 646 . 1 1 81 81 PHE CD2 C 13 131.113 0.300 . 1 . . . A 769 PHE CD2 . 19502 1 647 . 1 1 81 81 PHE CZ C 13 128.406 0.300 . 1 . . . A 769 PHE CZ . 19502 1 648 . 1 1 81 81 PHE N N 15 116.997 0.300 . 1 . . . A 769 PHE N . 19502 1 649 . 1 1 82 82 PRO HA H 1 4.724 0.020 . 1 . . . A 770 PRO HA . 19502 1 650 . 1 1 82 82 PRO HB2 H 1 2.252 0.020 . 2 . . . A 770 PRO HB2 . 19502 1 651 . 1 1 82 82 PRO HB3 H 1 2.197 0.020 . 2 . . . A 770 PRO HB3 . 19502 1 652 . 1 1 82 82 PRO HG2 H 1 1.914 0.020 . 2 . . . A 770 PRO HG2 . 19502 1 653 . 1 1 82 82 PRO HG3 H 1 1.159 0.020 . 2 . . . A 770 PRO HG3 . 19502 1 654 . 1 1 82 82 PRO HD2 H 1 3.484 0.020 . 2 . . . A 770 PRO HD2 . 19502 1 655 . 1 1 82 82 PRO HD3 H 1 3.304 0.020 . 2 . . . A 770 PRO HD3 . 19502 1 656 . 1 1 82 82 PRO CA C 13 64.299 0.300 . 1 . . . A 770 PRO CA . 19502 1 657 . 1 1 82 82 PRO CB C 13 33.775 0.300 . 1 . . . A 770 PRO CB . 19502 1 658 . 1 1 82 82 PRO CG C 13 24.257 0.300 . 1 . . . A 770 PRO CG . 19502 1 659 . 1 1 82 82 PRO CD C 13 49.923 0.300 . 1 . . . A 770 PRO CD . 19502 1 660 . 1 1 83 83 ALA H H 1 9.069 0.020 . 1 . . . A 771 ALA H . 19502 1 661 . 1 1 83 83 ALA HA H 1 5.234 0.020 . 1 . . . A 771 ALA HA . 19502 1 662 . 1 1 83 83 ALA HB1 H 1 1.149 0.020 . 1 . . . A 771 ALA HB1 . 19502 1 663 . 1 1 83 83 ALA HB2 H 1 1.149 0.020 . 1 . . . A 771 ALA HB2 . 19502 1 664 . 1 1 83 83 ALA HB3 H 1 1.149 0.020 . 1 . . . A 771 ALA HB3 . 19502 1 665 . 1 1 83 83 ALA CA C 13 50.642 0.300 . 1 . . . A 771 ALA CA . 19502 1 666 . 1 1 83 83 ALA CB C 13 19.655 0.300 . 1 . . . A 771 ALA CB . 19502 1 667 . 1 1 83 83 ALA N N 15 125.979 0.300 . 1 . . . A 771 ALA N . 19502 1 668 . 1 1 84 84 VAL H H 1 9.024 0.020 . 1 . . . A 772 VAL H . 19502 1 669 . 1 1 84 84 VAL HA H 1 4.811 0.020 . 1 . . . A 772 VAL HA . 19502 1 670 . 1 1 84 84 VAL HB H 1 2.262 0.020 . 1 . . . A 772 VAL HB . 19502 1 671 . 1 1 84 84 VAL HG11 H 1 0.888 0.020 . 2 . . . A 772 VAL HG11 . 19502 1 672 . 1 1 84 84 VAL HG12 H 1 0.888 0.020 . 2 . . . A 772 VAL HG12 . 19502 1 673 . 1 1 84 84 VAL HG13 H 1 0.888 0.020 . 2 . . . A 772 VAL HG13 . 19502 1 674 . 1 1 84 84 VAL HG21 H 1 0.866 0.020 . 2 . . . A 772 VAL HG21 . 19502 1 675 . 1 1 84 84 VAL HG22 H 1 0.866 0.020 . 2 . . . A 772 VAL HG22 . 19502 1 676 . 1 1 84 84 VAL HG23 H 1 0.866 0.020 . 2 . . . A 772 VAL HG23 . 19502 1 677 . 1 1 84 84 VAL CA C 13 59.149 0.300 . 1 . . . A 772 VAL CA . 19502 1 678 . 1 1 84 84 VAL CB C 13 35.246 0.300 . 1 . . . A 772 VAL CB . 19502 1 679 . 1 1 84 84 VAL CG1 C 13 18.653 0.300 . 1 . . . A 772 VAL CG1 . 19502 1 680 . 1 1 84 84 VAL CG2 C 13 21.346 0.300 . 1 . . . A 772 VAL CG2 . 19502 1 681 . 1 1 84 84 VAL N N 15 113.901 0.300 . 1 . . . A 772 VAL N . 19502 1 682 . 1 1 85 85 CYS H H 1 8.597 0.020 . 1 . . . A 773 CYS H . 19502 1 683 . 1 1 85 85 CYS HA H 1 5.607 0.020 . 1 . . . A 773 CYS HA . 19502 1 684 . 1 1 85 85 CYS HB2 H 1 2.816 0.020 . 2 . . . A 773 CYS HB2 . 19502 1 685 . 1 1 85 85 CYS HB3 H 1 2.772 0.020 . 2 . . . A 773 CYS HB3 . 19502 1 686 . 1 1 85 85 CYS CA C 13 56.758 0.300 . 1 . . . A 773 CYS CA . 19502 1 687 . 1 1 85 85 CYS CB C 13 29.841 0.300 . 1 . . . A 773 CYS CB . 19502 1 688 . 1 1 85 85 CYS N N 15 119.222 0.300 . 1 . . . A 773 CYS N . 19502 1 689 . 1 1 86 86 ALA H H 1 9.238 0.020 . 1 . . . A 774 ALA H . 19502 1 690 . 1 1 86 86 ALA HA H 1 4.803 0.020 . 1 . . . A 774 ALA HA . 19502 1 691 . 1 1 86 86 ALA HB1 H 1 1.510 0.020 . 1 . . . A 774 ALA HB1 . 19502 1 692 . 1 1 86 86 ALA HB2 H 1 1.510 0.020 . 1 . . . A 774 ALA HB2 . 19502 1 693 . 1 1 86 86 ALA HB3 H 1 1.510 0.020 . 1 . . . A 774 ALA HB3 . 19502 1 694 . 1 1 86 86 ALA CA C 13 51.231 0.300 . 1 . . . A 774 ALA CA . 19502 1 695 . 1 1 86 86 ALA CB C 13 24.125 0.300 . 1 . . . A 774 ALA CB . 19502 1 696 . 1 1 86 86 ALA N N 15 124.328 0.300 . 1 . . . A 774 ALA N . 19502 1 697 . 1 1 87 87 HIS HA H 1 5.256 0.020 . 1 . . . A 775 HIS HA . 19502 1 698 . 1 1 87 87 HIS HB2 H 1 3.686 0.020 . 2 . . . A 775 HIS HB2 . 19502 1 699 . 1 1 87 87 HIS HB3 H 1 3.253 0.020 . 2 . . . A 775 HIS HB3 . 19502 1 700 . 1 1 87 87 HIS HD2 H 1 7.227 0.020 . 1 . . . A 775 HIS HD2 . 19502 1 701 . 1 1 87 87 HIS HE1 H 1 8.087 0.020 . 1 . . . A 775 HIS HE1 . 19502 1 702 . 1 1 87 87 HIS CA C 13 56.529 0.300 . 1 . . . A 775 HIS CA . 19502 1 703 . 1 1 87 87 HIS CB C 13 30.133 0.300 . 1 . . . A 775 HIS CB . 19502 1 704 . 1 1 87 87 HIS CD2 C 13 121.933 0.300 . 1 . . . A 775 HIS CD2 . 19502 1 705 . 1 1 87 87 HIS CE1 C 13 137.857 0.300 . 1 . . . A 775 HIS CE1 . 19502 1 706 . 1 1 87 87 HIS ND1 N 15 201.998 0.300 . 1 . . . A 775 HIS ND1 . 19502 1 707 . 1 1 87 87 HIS NE2 N 15 198.172 0.300 . 1 . . . A 775 HIS NE2 . 19502 1 708 . 1 1 88 88 SER H H 1 7.550 0.020 . 1 . . . A 776 SER H . 19502 1 709 . 1 1 88 88 SER HA H 1 4.766 0.020 . 1 . . . A 776 SER HA . 19502 1 710 . 1 1 88 88 SER HB2 H 1 4.201 0.020 . 2 . . . A 776 SER HB2 . 19502 1 711 . 1 1 88 88 SER HB3 H 1 4.054 0.020 . 2 . . . A 776 SER HB3 . 19502 1 712 . 1 1 88 88 SER CA C 13 57.029 0.300 . 1 . . . A 776 SER CA . 19502 1 713 . 1 1 88 88 SER N N 15 110.366 0.300 . 1 . . . A 776 SER N . 19502 1 714 . 1 1 89 89 LYS HA H 1 3.587 0.020 . 1 . . . A 777 LYS HA . 19502 1 715 . 1 1 89 89 LYS HB2 H 1 1.592 0.020 . 2 . . . A 777 LYS HB2 . 19502 1 716 . 1 1 89 89 LYS HB3 H 1 1.515 0.020 . 2 . . . A 777 LYS HB3 . 19502 1 717 . 1 1 89 89 LYS HG2 H 1 0.881 0.020 . 1 . . . A 777 LYS HG2 . 19502 1 718 . 1 1 89 89 LYS HG3 H 1 0.881 0.020 . 1 . . . A 777 LYS HG3 . 19502 1 719 . 1 1 89 89 LYS HD2 H 1 1.630 0.020 . 1 . . . A 777 LYS HD2 . 19502 1 720 . 1 1 89 89 LYS HD3 H 1 1.630 0.020 . 1 . . . A 777 LYS HD3 . 19502 1 721 . 1 1 89 89 LYS HE2 H 1 2.908 0.020 . 1 . . . A 777 LYS HE2 . 19502 1 722 . 1 1 89 89 LYS HE3 H 1 2.908 0.020 . 1 . . . A 777 LYS HE3 . 19502 1 723 . 1 1 89 89 LYS CA C 13 60.436 0.300 . 1 . . . A 777 LYS CA . 19502 1 724 . 1 1 89 89 LYS CB C 13 32.204 0.300 . 1 . . . A 777 LYS CB . 19502 1 725 . 1 1 89 89 LYS CG C 13 25.857 0.300 . 1 . . . A 777 LYS CG . 19502 1 726 . 1 1 89 89 LYS CD C 13 29.856 0.300 . 1 . . . A 777 LYS CD . 19502 1 727 . 1 1 89 89 LYS CE C 13 42.380 0.300 . 1 . . . A 777 LYS CE . 19502 1 728 . 1 1 90 90 LYS H H 1 8.151 0.020 . 1 . . . A 778 LYS H . 19502 1 729 . 1 1 90 90 LYS HA H 1 3.764 0.020 . 1 . . . A 778 LYS HA . 19502 1 730 . 1 1 90 90 LYS HB2 H 1 2.395 0.020 . 1 . . . A 778 LYS HB2 . 19502 1 731 . 1 1 90 90 LYS HB3 H 1 2.395 0.020 . 1 . . . A 778 LYS HB3 . 19502 1 732 . 1 1 90 90 LYS HG2 H 1 1.323 0.020 . 2 . . . A 778 LYS HG2 . 19502 1 733 . 1 1 90 90 LYS HG3 H 1 1.467 0.020 . 2 . . . A 778 LYS HG3 . 19502 1 734 . 1 1 90 90 LYS HE2 H 1 3.013 0.020 . 1 . . . A 778 LYS HE2 . 19502 1 735 . 1 1 90 90 LYS HE3 H 1 3.013 0.020 . 1 . . . A 778 LYS HE3 . 19502 1 736 . 1 1 90 90 LYS CA C 13 59.911 0.300 . 1 . . . A 778 LYS CA . 19502 1 737 . 1 1 90 90 LYS CB C 13 33.685 0.300 . 1 . . . A 778 LYS CB . 19502 1 738 . 1 1 90 90 LYS CG C 13 24.897 0.300 . 1 . . . A 778 LYS CG . 19502 1 739 . 1 1 90 90 LYS CE C 13 42.173 0.300 . 1 . . . A 778 LYS CE . 19502 1 740 . 1 1 90 90 LYS N N 15 118.469 0.300 . 1 . . . A 778 LYS N . 19502 1 741 . 1 1 91 91 GLN H H 1 7.773 0.020 . 1 . . . A 779 GLN H . 19502 1 742 . 1 1 91 91 GLN HA H 1 4.013 0.020 . 1 . . . A 779 GLN HA . 19502 1 743 . 1 1 91 91 GLN HB2 H 1 2.046 0.020 . 1 . . . A 779 GLN HB2 . 19502 1 744 . 1 1 91 91 GLN HB3 H 1 2.046 0.020 . 1 . . . A 779 GLN HB3 . 19502 1 745 . 1 1 91 91 GLN HG2 H 1 2.516 0.020 . 1 . . . A 779 GLN HG2 . 19502 1 746 . 1 1 91 91 GLN HG3 H 1 2.516 0.020 . 1 . . . A 779 GLN HG3 . 19502 1 747 . 1 1 91 91 GLN HE21 H 1 6.963 0.020 . 2 . . . A 779 GLN HE21 . 19502 1 748 . 1 1 91 91 GLN HE22 H 1 8.012 0.020 . 2 . . . A 779 GLN HE22 . 19502 1 749 . 1 1 91 91 GLN CA C 13 57.909 0.300 . 1 . . . A 779 GLN CA . 19502 1 750 . 1 1 91 91 GLN CB C 13 28.560 0.300 . 1 . . . A 779 GLN CB . 19502 1 751 . 1 1 91 91 GLN CG C 13 33.688 0.300 . 1 . . . A 779 GLN CG . 19502 1 752 . 1 1 91 91 GLN N N 15 117.975 0.300 . 1 . . . A 779 GLN N . 19502 1 753 . 1 1 91 91 GLN NE2 N 15 112.919 0.300 . 1 . . . A 779 GLN NE2 . 19502 1 754 . 1 1 92 92 GLY H H 1 8.273 0.020 . 1 . . . A 780 GLY H . 19502 1 755 . 1 1 92 92 GLY HA2 H 1 3.405 0.020 . 1 . . . A 780 GLY HA2 . 19502 1 756 . 1 1 92 92 GLY HA3 H 1 3.405 0.020 . 1 . . . A 780 GLY HA3 . 19502 1 757 . 1 1 92 92 GLY CA C 13 48.011 0.300 . 1 . . . A 780 GLY CA . 19502 1 758 . 1 1 92 92 GLY N N 15 108.214 0.300 . 1 . . . A 780 GLY N . 19502 1 759 . 1 1 93 93 LYS H H 1 7.307 0.020 . 1 . . . A 781 LYS H . 19502 1 760 . 1 1 93 93 LYS HA H 1 3.089 0.020 . 1 . . . A 781 LYS HA . 19502 1 761 . 1 1 93 93 LYS HB2 H 1 0.760 0.020 . 1 . . . A 781 LYS HB2 . 19502 1 762 . 1 1 93 93 LYS HB3 H 1 1.208 0.020 . 1 . . . A 781 LYS HB3 . 19502 1 763 . 1 1 93 93 LYS HG2 H 1 0.602 0.020 . 2 . . . A 781 LYS HG2 . 19502 1 764 . 1 1 93 93 LYS HG3 H 1 0.213 0.020 . 2 . . . A 781 LYS HG3 . 19502 1 765 . 1 1 93 93 LYS HD2 H 1 1.227 0.020 . 1 . . . A 781 LYS HD2 . 19502 1 766 . 1 1 93 93 LYS HD3 H 1 1.227 0.020 . 1 . . . A 781 LYS HD3 . 19502 1 767 . 1 1 93 93 LYS HE2 H 1 2.529 0.020 . 1 . . . A 781 LYS HE2 . 19502 1 768 . 1 1 93 93 LYS HE3 H 1 2.529 0.020 . 1 . . . A 781 LYS HE3 . 19502 1 769 . 1 1 93 93 LYS CA C 13 60.358 0.300 . 1 . . . A 781 LYS CA . 19502 1 770 . 1 1 93 93 LYS CB C 13 31.686 0.300 . 1 . . . A 781 LYS CB . 19502 1 771 . 1 1 93 93 LYS CG C 13 25.576 0.300 . 1 . . . A 781 LYS CG . 19502 1 772 . 1 1 93 93 LYS CD C 13 29.533 0.300 . 1 . . . A 781 LYS CD . 19502 1 773 . 1 1 93 93 LYS CE C 13 41.941 0.300 . 1 . . . A 781 LYS CE . 19502 1 774 . 1 1 93 93 LYS N N 15 120.027 0.300 . 1 . . . A 781 LYS N . 19502 1 775 . 1 1 94 94 GLN H H 1 7.227 0.020 . 1 . . . A 782 GLN H . 19502 1 776 . 1 1 94 94 GLN HA H 1 3.768 0.020 . 1 . . . A 782 GLN HA . 19502 1 777 . 1 1 94 94 GLN HB2 H 1 2.154 0.020 . 1 . . . A 782 GLN HB2 . 19502 1 778 . 1 1 94 94 GLN HB3 H 1 2.154 0.020 . 1 . . . A 782 GLN HB3 . 19502 1 779 . 1 1 94 94 GLN HG2 H 1 2.399 0.020 . 1 . . . A 782 GLN HG2 . 19502 1 780 . 1 1 94 94 GLN HG3 H 1 2.399 0.020 . 1 . . . A 782 GLN HG3 . 19502 1 781 . 1 1 94 94 GLN HE21 H 1 7.571 0.020 . 2 . . . A 782 GLN HE21 . 19502 1 782 . 1 1 94 94 GLN HE22 H 1 6.846 0.020 . 2 . . . A 782 GLN HE22 . 19502 1 783 . 1 1 94 94 GLN CA C 13 59.795 0.300 . 1 . . . A 782 GLN CA . 19502 1 784 . 1 1 94 94 GLN CB C 13 28.553 0.300 . 1 . . . A 782 GLN CB . 19502 1 785 . 1 1 94 94 GLN CG C 13 33.707 0.300 . 1 . . . A 782 GLN CG . 19502 1 786 . 1 1 94 94 GLN N N 15 117.131 0.300 . 1 . . . A 782 GLN N . 19502 1 787 . 1 1 94 94 GLN NE2 N 15 111.025 0.300 . 1 . . . A 782 GLN NE2 . 19502 1 788 . 1 1 95 95 GLU H H 1 8.896 0.020 . 1 . . . A 783 GLU H . 19502 1 789 . 1 1 95 95 GLU HA H 1 4.203 0.020 . 1 . . . A 783 GLU HA . 19502 1 790 . 1 1 95 95 GLU HB2 H 1 2.059 0.020 . 1 . . . A 783 GLU HB2 . 19502 1 791 . 1 1 95 95 GLU HB3 H 1 2.146 0.020 . 1 . . . A 783 GLU HB3 . 19502 1 792 . 1 1 95 95 GLU HG2 H 1 2.523 0.020 . 1 . . . A 783 GLU HG2 . 19502 1 793 . 1 1 95 95 GLU HG3 H 1 2.523 0.020 . 1 . . . A 783 GLU HG3 . 19502 1 794 . 1 1 95 95 GLU CA C 13 58.964 0.300 . 1 . . . A 783 GLU CA . 19502 1 795 . 1 1 95 95 GLU CB C 13 28.959 0.300 . 1 . . . A 783 GLU CB . 19502 1 796 . 1 1 95 95 GLU CG C 13 36.609 0.300 . 1 . . . A 783 GLU CG . 19502 1 797 . 1 1 95 95 GLU N N 15 117.958 0.300 . 1 . . . A 783 GLU N . 19502 1 798 . 1 1 96 96 ALA H H 1 8.532 0.020 . 1 . . . A 784 ALA H . 19502 1 799 . 1 1 96 96 ALA HA H 1 4.134 0.020 . 1 . . . A 784 ALA HA . 19502 1 800 . 1 1 96 96 ALA HB1 H 1 1.610 0.020 . 1 . . . A 784 ALA HB1 . 19502 1 801 . 1 1 96 96 ALA HB2 H 1 1.610 0.020 . 1 . . . A 784 ALA HB2 . 19502 1 802 . 1 1 96 96 ALA HB3 H 1 1.610 0.020 . 1 . . . A 784 ALA HB3 . 19502 1 803 . 1 1 96 96 ALA CA C 13 55.215 0.300 . 1 . . . A 784 ALA CA . 19502 1 804 . 1 1 96 96 ALA CB C 13 17.597 0.300 . 1 . . . A 784 ALA CB . 19502 1 805 . 1 1 96 96 ALA N N 15 124.176 0.300 . 1 . . . A 784 ALA N . 19502 1 806 . 1 1 97 97 ALA H H 1 8.402 0.020 . 1 . . . A 785 ALA H . 19502 1 807 . 1 1 97 97 ALA HA H 1 4.042 0.020 . 1 . . . A 785 ALA HA . 19502 1 808 . 1 1 97 97 ALA HB1 H 1 1.549 0.020 . 1 . . . A 785 ALA HB1 . 19502 1 809 . 1 1 97 97 ALA HB2 H 1 1.549 0.020 . 1 . . . A 785 ALA HB2 . 19502 1 810 . 1 1 97 97 ALA HB3 H 1 1.549 0.020 . 1 . . . A 785 ALA HB3 . 19502 1 811 . 1 1 97 97 ALA CA C 13 55.169 0.300 . 1 . . . A 785 ALA CA . 19502 1 812 . 1 1 97 97 ALA CB C 13 18.393 0.300 . 1 . . . A 785 ALA CB . 19502 1 813 . 1 1 97 97 ALA N N 15 121.847 0.300 . 1 . . . A 785 ALA N . 19502 1 814 . 1 1 98 98 ASP H H 1 8.524 0.020 . 1 . . . A 786 ASP H . 19502 1 815 . 1 1 98 98 ASP HA H 1 4.152 0.020 . 1 . . . A 786 ASP HA . 19502 1 816 . 1 1 98 98 ASP HB2 H 1 2.722 0.020 . 1 . . . A 786 ASP HB2 . 19502 1 817 . 1 1 98 98 ASP HB3 H 1 2.912 0.020 . 1 . . . A 786 ASP HB3 . 19502 1 818 . 1 1 98 98 ASP CA C 13 58.171 0.300 . 1 . . . A 786 ASP CA . 19502 1 819 . 1 1 98 98 ASP CB C 13 42.516 0.300 . 1 . . . A 786 ASP CB . 19502 1 820 . 1 1 98 98 ASP N N 15 120.625 0.300 . 1 . . . A 786 ASP N . 19502 1 821 . 1 1 99 99 ALA H H 1 8.191 0.020 . 1 . . . A 787 ALA H . 19502 1 822 . 1 1 99 99 ALA HA H 1 3.976 0.020 . 1 . . . A 787 ALA HA . 19502 1 823 . 1 1 99 99 ALA HB1 H 1 1.390 0.020 . 1 . . . A 787 ALA HB1 . 19502 1 824 . 1 1 99 99 ALA HB2 H 1 1.390 0.020 . 1 . . . A 787 ALA HB2 . 19502 1 825 . 1 1 99 99 ALA HB3 H 1 1.390 0.020 . 1 . . . A 787 ALA HB3 . 19502 1 826 . 1 1 99 99 ALA CA C 13 55.116 0.300 . 1 . . . A 787 ALA CA . 19502 1 827 . 1 1 99 99 ALA CB C 13 18.270 0.300 . 1 . . . A 787 ALA CB . 19502 1 828 . 1 1 99 99 ALA N N 15 118.408 0.300 . 1 . . . A 787 ALA N . 19502 1 829 . 1 1 100 100 ALA H H 1 7.533 0.020 . 1 . . . A 788 ALA H . 19502 1 830 . 1 1 100 100 ALA HA H 1 3.704 0.020 . 1 . . . A 788 ALA HA . 19502 1 831 . 1 1 100 100 ALA HB1 H 1 0.593 0.020 . 1 . . . A 788 ALA HB1 . 19502 1 832 . 1 1 100 100 ALA HB2 H 1 0.593 0.020 . 1 . . . A 788 ALA HB2 . 19502 1 833 . 1 1 100 100 ALA HB3 H 1 0.593 0.020 . 1 . . . A 788 ALA HB3 . 19502 1 834 . 1 1 100 100 ALA CA C 13 54.893 0.300 . 1 . . . A 788 ALA CA . 19502 1 835 . 1 1 100 100 ALA CB C 13 18.573 0.300 . 1 . . . A 788 ALA CB . 19502 1 836 . 1 1 100 100 ALA N N 15 118.510 0.300 . 1 . . . A 788 ALA N . 19502 1 837 . 1 1 101 101 LEU H H 1 8.520 0.020 . 1 . . . A 789 LEU H . 19502 1 838 . 1 1 101 101 LEU HA H 1 3.690 0.020 . 1 . . . A 789 LEU HA . 19502 1 839 . 1 1 101 101 LEU HB2 H 1 1.293 0.020 . 1 . . . A 789 LEU HB2 . 19502 1 840 . 1 1 101 101 LEU HB3 H 1 2.023 0.020 . 1 . . . A 789 LEU HB3 . 19502 1 841 . 1 1 101 101 LEU HG H 1 1.783 0.020 . 1 . . . A 789 LEU HG . 19502 1 842 . 1 1 101 101 LEU HD11 H 1 0.938 0.020 . 2 . . . A 789 LEU HD11 . 19502 1 843 . 1 1 101 101 LEU HD12 H 1 0.938 0.020 . 2 . . . A 789 LEU HD12 . 19502 1 844 . 1 1 101 101 LEU HD13 H 1 0.938 0.020 . 2 . . . A 789 LEU HD13 . 19502 1 845 . 1 1 101 101 LEU HD21 H 1 0.690 0.020 . 2 . . . A 789 LEU HD21 . 19502 1 846 . 1 1 101 101 LEU HD22 H 1 0.690 0.020 . 2 . . . A 789 LEU HD22 . 19502 1 847 . 1 1 101 101 LEU HD23 H 1 0.690 0.020 . 2 . . . A 789 LEU HD23 . 19502 1 848 . 1 1 101 101 LEU CA C 13 58.180 0.300 . 1 . . . A 789 LEU CA . 19502 1 849 . 1 1 101 101 LEU CB C 13 42.104 0.300 . 1 . . . A 789 LEU CB . 19502 1 850 . 1 1 101 101 LEU CG C 13 27.240 0.300 . 1 . . . A 789 LEU CG . 19502 1 851 . 1 1 101 101 LEU CD1 C 13 25.996 0.300 . 1 . . . A 789 LEU CD1 . 19502 1 852 . 1 1 101 101 LEU CD2 C 13 23.776 0.300 . 1 . . . A 789 LEU CD2 . 19502 1 853 . 1 1 101 101 LEU N N 15 117.413 0.300 . 1 . . . A 789 LEU N . 19502 1 854 . 1 1 102 102 ARG H H 1 8.293 0.020 . 1 . . . A 790 ARG H . 19502 1 855 . 1 1 102 102 ARG HA H 1 3.918 0.020 . 1 . . . A 790 ARG HA . 19502 1 856 . 1 1 102 102 ARG HB2 H 1 1.863 0.020 . 1 . . . A 790 ARG HB2 . 19502 1 857 . 1 1 102 102 ARG HB3 H 1 1.863 0.020 . 1 . . . A 790 ARG HB3 . 19502 1 858 . 1 1 102 102 ARG HG2 H 1 1.606 0.020 . 1 . . . A 790 ARG HG2 . 19502 1 859 . 1 1 102 102 ARG HG3 H 1 1.606 0.020 . 1 . . . A 790 ARG HG3 . 19502 1 860 . 1 1 102 102 ARG HD2 H 1 3.319 0.020 . 2 . . . A 790 ARG HD2 . 19502 1 861 . 1 1 102 102 ARG HD3 H 1 3.035 0.020 . 2 . . . A 790 ARG HD3 . 19502 1 862 . 1 1 102 102 ARG CA C 13 60.803 0.300 . 1 . . . A 790 ARG CA . 19502 1 863 . 1 1 102 102 ARG CB C 13 29.761 0.300 . 1 . . . A 790 ARG CB . 19502 1 864 . 1 1 102 102 ARG CG C 13 30.225 0.300 . 1 . . . A 790 ARG CG . 19502 1 865 . 1 1 102 102 ARG CD C 13 43.202 0.300 . 1 . . . A 790 ARG CD . 19502 1 866 . 1 1 102 102 ARG N N 15 116.360 0.300 . 1 . . . A 790 ARG N . 19502 1 867 . 1 1 103 103 VAL H H 1 7.455 0.020 . 1 . . . A 791 VAL H . 19502 1 868 . 1 1 103 103 VAL HA H 1 3.912 0.020 . 1 . . . A 791 VAL HA . 19502 1 869 . 1 1 103 103 VAL HB H 1 2.583 0.020 . 1 . . . A 791 VAL HB . 19502 1 870 . 1 1 103 103 VAL HG11 H 1 1.302 0.020 . 2 . . . A 791 VAL HG11 . 19502 1 871 . 1 1 103 103 VAL HG12 H 1 1.302 0.020 . 2 . . . A 791 VAL HG12 . 19502 1 872 . 1 1 103 103 VAL HG13 H 1 1.302 0.020 . 2 . . . A 791 VAL HG13 . 19502 1 873 . 1 1 103 103 VAL HG21 H 1 1.212 0.020 . 2 . . . A 791 VAL HG21 . 19502 1 874 . 1 1 103 103 VAL HG22 H 1 1.212 0.020 . 2 . . . A 791 VAL HG22 . 19502 1 875 . 1 1 103 103 VAL HG23 H 1 1.212 0.020 . 2 . . . A 791 VAL HG23 . 19502 1 876 . 1 1 103 103 VAL CA C 13 66.484 0.300 . 1 . . . A 791 VAL CA . 19502 1 877 . 1 1 103 103 VAL CB C 13 31.736 0.300 . 1 . . . A 791 VAL CB . 19502 1 878 . 1 1 103 103 VAL CG1 C 13 21.964 0.300 . 1 . . . A 791 VAL CG1 . 19502 1 879 . 1 1 103 103 VAL CG2 C 13 23.503 0.300 . 1 . . . A 791 VAL CG2 . 19502 1 880 . 1 1 103 103 VAL N N 15 120.700 0.300 . 1 . . . A 791 VAL N . 19502 1 881 . 1 1 104 104 LEU H H 1 8.007 0.020 . 1 . . . A 792 LEU H . 19502 1 882 . 1 1 104 104 LEU HA H 1 4.032 0.020 . 1 . . . A 792 LEU HA . 19502 1 883 . 1 1 104 104 LEU HB2 H 1 1.740 0.020 . 2 . . . A 792 LEU HB2 . 19502 1 884 . 1 1 104 104 LEU HB3 H 1 1.017 0.020 . 2 . . . A 792 LEU HB3 . 19502 1 885 . 1 1 104 104 LEU HG H 1 1.562 0.020 . 1 . . . A 792 LEU HG . 19502 1 886 . 1 1 104 104 LEU HD11 H 1 0.747 0.020 . 2 . . . A 792 LEU HD11 . 19502 1 887 . 1 1 104 104 LEU HD12 H 1 0.747 0.020 . 2 . . . A 792 LEU HD12 . 19502 1 888 . 1 1 104 104 LEU HD13 H 1 0.747 0.020 . 2 . . . A 792 LEU HD13 . 19502 1 889 . 1 1 104 104 LEU HD21 H 1 -0.165 0.020 . 2 . . . A 792 LEU HD21 . 19502 1 890 . 1 1 104 104 LEU HD22 H 1 -0.165 0.020 . 2 . . . A 792 LEU HD22 . 19502 1 891 . 1 1 104 104 LEU HD23 H 1 -0.165 0.020 . 2 . . . A 792 LEU HD23 . 19502 1 892 . 1 1 104 104 LEU CA C 13 57.867 0.300 . 1 . . . A 792 LEU CA . 19502 1 893 . 1 1 104 104 LEU CB C 13 42.247 0.300 . 1 . . . A 792 LEU CB . 19502 1 894 . 1 1 104 104 LEU CG C 13 26.147 0.300 . 1 . . . A 792 LEU CG . 19502 1 895 . 1 1 104 104 LEU CD1 C 13 22.611 0.300 . 1 . . . A 792 LEU CD1 . 19502 1 896 . 1 1 104 104 LEU CD2 C 13 24.261 0.300 . 1 . . . A 792 LEU CD2 . 19502 1 897 . 1 1 104 104 LEU N N 15 120.706 0.300 . 1 . . . A 792 LEU N . 19502 1 898 . 1 1 105 105 ILE H H 1 8.778 0.020 . 1 . . . A 793 ILE H . 19502 1 899 . 1 1 105 105 ILE HA H 1 3.729 0.020 . 1 . . . A 793 ILE HA . 19502 1 900 . 1 1 105 105 ILE HB H 1 1.825 0.020 . 1 . . . A 793 ILE HB . 19502 1 901 . 1 1 105 105 ILE HG12 H 1 1.075 0.020 . 1 . . . A 793 ILE HG12 . 19502 1 902 . 1 1 105 105 ILE HG13 H 1 1.736 0.020 . 1 . . . A 793 ILE HG13 . 19502 1 903 . 1 1 105 105 ILE HG21 H 1 0.949 0.020 . 1 . . . A 793 ILE HG21 . 19502 1 904 . 1 1 105 105 ILE HG22 H 1 0.949 0.020 . 1 . . . A 793 ILE HG22 . 19502 1 905 . 1 1 105 105 ILE HG23 H 1 0.949 0.020 . 1 . . . A 793 ILE HG23 . 19502 1 906 . 1 1 105 105 ILE HD11 H 1 0.781 0.020 . 1 . . . A 793 ILE HD11 . 19502 1 907 . 1 1 105 105 ILE HD12 H 1 0.781 0.020 . 1 . . . A 793 ILE HD12 . 19502 1 908 . 1 1 105 105 ILE HD13 H 1 0.781 0.020 . 1 . . . A 793 ILE HD13 . 19502 1 909 . 1 1 105 105 ILE CA C 13 65.001 0.300 . 1 . . . A 793 ILE CA . 19502 1 910 . 1 1 105 105 ILE CB C 13 38.955 0.300 . 1 . . . A 793 ILE CB . 19502 1 911 . 1 1 105 105 ILE CG1 C 13 30.157 0.300 . 1 . . . A 793 ILE CG1 . 19502 1 912 . 1 1 105 105 ILE CG2 C 13 17.380 0.300 . 1 . . . A 793 ILE CG2 . 19502 1 913 . 1 1 105 105 ILE CD1 C 13 14.944 0.300 . 1 . . . A 793 ILE CD1 . 19502 1 914 . 1 1 105 105 ILE N N 15 118.876 0.300 . 1 . . . A 793 ILE N . 19502 1 915 . 1 1 106 106 GLY H H 1 7.810 0.020 . 1 . . . A 794 GLY H . 19502 1 916 . 1 1 106 106 GLY HA2 H 1 4.089 0.020 . 1 . . . A 794 GLY HA2 . 19502 1 917 . 1 1 106 106 GLY HA3 H 1 4.037 0.020 . 1 . . . A 794 GLY HA3 . 19502 1 918 . 1 1 106 106 GLY CA C 13 46.633 0.300 . 1 . . . A 794 GLY CA . 19502 1 919 . 1 1 106 106 GLY N N 15 107.008 0.300 . 1 . . . A 794 GLY N . 19502 1 920 . 1 1 107 107 GLU H H 1 7.978 0.020 . 1 . . . A 795 GLU H . 19502 1 921 . 1 1 107 107 GLU HA H 1 4.356 0.020 . 1 . . . A 795 GLU HA . 19502 1 922 . 1 1 107 107 GLU HB2 H 1 2.205 0.020 . 1 . . . A 795 GLU HB2 . 19502 1 923 . 1 1 107 107 GLU HB3 H 1 2.205 0.020 . 1 . . . A 795 GLU HB3 . 19502 1 924 . 1 1 107 107 GLU HG2 H 1 2.480 0.020 . 1 . . . A 795 GLU HG2 . 19502 1 925 . 1 1 107 107 GLU HG3 H 1 2.480 0.020 . 1 . . . A 795 GLU HG3 . 19502 1 926 . 1 1 107 107 GLU CA C 13 57.704 0.300 . 1 . . . A 795 GLU CA . 19502 1 927 . 1 1 107 107 GLU CB C 13 30.080 0.300 . 1 . . . A 795 GLU CB . 19502 1 928 . 1 1 107 107 GLU CG C 13 36.500 0.300 . 1 . . . A 795 GLU CG . 19502 1 929 . 1 1 107 107 GLU N N 15 119.866 0.300 . 1 . . . A 795 GLU N . 19502 1 930 . 1 1 108 108 ASN H H 1 8.053 0.020 . 1 . . . A 796 ASN H . 19502 1 931 . 1 1 108 108 ASN HA H 1 4.782 0.020 . 1 . . . A 796 ASN HA . 19502 1 932 . 1 1 108 108 ASN HB2 H 1 2.841 0.020 . 1 . . . A 796 ASN HB2 . 19502 1 933 . 1 1 108 108 ASN HB3 H 1 2.971 0.020 . 1 . . . A 796 ASN HB3 . 19502 1 934 . 1 1 108 108 ASN HD21 H 1 7.812 0.020 . 2 . . . A 796 ASN HD21 . 19502 1 935 . 1 1 108 108 ASN HD22 H 1 7.123 0.020 . 2 . . . A 796 ASN HD22 . 19502 1 936 . 1 1 108 108 ASN CA C 13 54.582 0.300 . 1 . . . A 796 ASN CA . 19502 1 937 . 1 1 108 108 ASN CB C 13 40.045 0.300 . 1 . . . A 796 ASN CB . 19502 1 938 . 1 1 108 108 ASN N N 15 118.365 0.300 . 1 . . . A 796 ASN N . 19502 1 939 . 1 1 108 108 ASN ND2 N 15 113.604 0.300 . 1 . . . A 796 ASN ND2 . 19502 1 940 . 1 1 109 109 GLU H H 1 8.225 0.020 . 1 . . . A 797 GLU H . 19502 1 941 . 1 1 109 109 GLU HA H 1 4.336 0.020 . 1 . . . A 797 GLU HA . 19502 1 942 . 1 1 109 109 GLU HB2 H 1 2.173 0.020 . 1 . . . A 797 GLU HB2 . 19502 1 943 . 1 1 109 109 GLU HB3 H 1 2.173 0.020 . 1 . . . A 797 GLU HB3 . 19502 1 944 . 1 1 109 109 GLU HG2 H 1 2.364 0.020 . 1 . . . A 797 GLU HG2 . 19502 1 945 . 1 1 109 109 GLU HG3 H 1 2.364 0.020 . 1 . . . A 797 GLU HG3 . 19502 1 946 . 1 1 109 109 GLU CA C 13 57.624 0.300 . 1 . . . A 797 GLU CA . 19502 1 947 . 1 1 109 109 GLU CB C 13 30.342 0.300 . 1 . . . A 797 GLU CB . 19502 1 948 . 1 1 109 109 GLU CG C 13 36.541 0.300 . 1 . . . A 797 GLU CG . 19502 1 949 . 1 1 109 109 GLU N N 15 120.368 0.300 . 1 . . . A 797 GLU N . 19502 1 950 . 1 1 110 110 LYS H H 1 8.088 0.020 . 1 . . . A 798 LYS H . 19502 1 951 . 1 1 110 110 LYS N N 15 120.614 0.300 . 1 . . . A 798 LYS N . 19502 1 952 . 1 1 111 111 ALA H H 1 8.138 0.020 . 1 . . . A 799 ALA H . 19502 1 953 . 1 1 111 111 ALA HA H 1 4.441 0.020 . 1 . . . A 799 ALA HA . 19502 1 954 . 1 1 111 111 ALA HB1 H 1 1.525 0.020 . 1 . . . A 799 ALA HB1 . 19502 1 955 . 1 1 111 111 ALA HB2 H 1 1.525 0.020 . 1 . . . A 799 ALA HB2 . 19502 1 956 . 1 1 111 111 ALA HB3 H 1 1.525 0.020 . 1 . . . A 799 ALA HB3 . 19502 1 957 . 1 1 111 111 ALA CA C 13 52.692 0.300 . 1 . . . A 799 ALA CA . 19502 1 958 . 1 1 111 111 ALA CB C 13 19.617 0.300 . 1 . . . A 799 ALA CB . 19502 1 959 . 1 1 111 111 ALA N N 15 124.642 0.300 . 1 . . . A 799 ALA N . 19502 1 960 . 1 1 112 112 GLU H H 1 8.337 0.020 . 1 . . . A 800 GLU H . 19502 1 961 . 1 1 112 112 GLU HA H 1 4.395 0.020 . 1 . . . A 800 GLU HA . 19502 1 962 . 1 1 112 112 GLU HB2 H 1 2.044 0.020 . 1 . . . A 800 GLU HB2 . 19502 1 963 . 1 1 112 112 GLU HB3 H 1 2.044 0.020 . 1 . . . A 800 GLU HB3 . 19502 1 964 . 1 1 112 112 GLU HG2 H 1 2.354 0.020 . 1 . . . A 800 GLU HG2 . 19502 1 965 . 1 1 112 112 GLU HG3 H 1 2.354 0.020 . 1 . . . A 800 GLU HG3 . 19502 1 966 . 1 1 112 112 GLU CA C 13 56.810 0.300 . 1 . . . A 800 GLU CA . 19502 1 967 . 1 1 112 112 GLU CB C 13 30.604 0.300 . 1 . . . A 800 GLU CB . 19502 1 968 . 1 1 112 112 GLU CG C 13 36.527 0.300 . 1 . . . A 800 GLU CG . 19502 1 969 . 1 1 112 112 GLU N N 15 120.408 0.300 . 1 . . . A 800 GLU N . 19502 1 970 . 1 1 113 113 ARG H H 1 7.904 0.020 . 1 . . . A 801 ARG H . 19502 1 971 . 1 1 113 113 ARG HA H 1 4.274 0.020 . 1 . . . A 801 ARG HA . 19502 1 972 . 1 1 113 113 ARG HB2 H 1 1.952 0.020 . 2 . . . A 801 ARG HB2 . 19502 1 973 . 1 1 113 113 ARG HB3 H 1 1.824 0.020 . 2 . . . A 801 ARG HB3 . 19502 1 974 . 1 1 113 113 ARG HG2 H 1 1.690 0.020 . 1 . . . A 801 ARG HG2 . 19502 1 975 . 1 1 113 113 ARG HG3 H 1 1.690 0.020 . 1 . . . A 801 ARG HG3 . 19502 1 976 . 1 1 113 113 ARG HD2 H 1 3.289 0.020 . 1 . . . A 801 ARG HD2 . 19502 1 977 . 1 1 113 113 ARG HD3 H 1 3.289 0.020 . 1 . . . A 801 ARG HD3 . 19502 1 978 . 1 1 113 113 ARG CA C 13 57.507 0.300 . 1 . . . A 801 ARG CA . 19502 1 979 . 1 1 113 113 ARG CB C 13 31.793 0.300 . 1 . . . A 801 ARG CB . 19502 1 980 . 1 1 113 113 ARG CG C 13 27.254 0.300 . 1 . . . A 801 ARG CG . 19502 1 981 . 1 1 113 113 ARG N N 15 126.357 0.300 . 1 . . . A 801 ARG N . 19502 1 stop_ save_