data_30020 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30020 _Entry.Title ; The C-terminal domain of rice beta-galactosidase 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-22 _Entry.Accession_date 2016-02-22 _Entry.Last_release_date 2016-08-08 _Entry.Original_release_date 2016-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 T. Rimlumduan T. . . . 30020 2 Y.-l. Hua . . . . 30020 3 T. Tanaka T. . . . 30020 4 J.R. Ketudat-Cairns . . . . 30020 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HYDROLASE . 30020 beta-sandwich . 30020 exoglycosidase . 30020 'glycoside hydrolase' . 30020 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30020 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 30020 '15N chemical shifts' 114 30020 '1H chemical shifts' 775 30020 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 . . 2016-08-08 . original BMRB . 30020 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5IAZ 'BMRB Entry Tracking System' 30020 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30020 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27451952 _Citation.Full_citation . _Citation.Title ; Structure of a plant beta-galactosidase C-terminal domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1864 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1411 _Citation.Page_last 1418 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Rimlumduan T. . . . 30020 1 2 Y.-l. Hua . . . . 30020 1 3 T. Tanaka T. . . . 30020 1 4 J.R. Ketudat-Cairns . . . . 30020 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30020 _Assembly.ID 1 _Assembly.Name 'beta-galactosidase 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30020 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 64 64 SG . . 732 CYS SG . . 785 CYS SG 30020 1 2 disulfide single . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 118 118 SG . . 764 CYS SG . . 839 CYS SG 30020 1 3 disulfide single . 1 . 1 CYS 72 72 SG . 1 . 1 CYS 105 105 SG . . 793 CYS SG . . 826 CYS SG 30020 1 4 disulfide single . 1 . 1 CYS 85 85 SG . 1 . 1 CYS 91 91 SG . . 806 CYS SG . . 812 CYS SG 30020 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30020 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMRTVSGVCADVSEYHPN IKNWQIESYGEPEFHTAKVH LKCAPGQTISAIKFASFGTP LGTCGTFQQGECHSINSNSV LERKCIGLERCVVAISPSNF GGDPCPEVMKRVAVEAVCST AA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain, UNP residues 734-851' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13029.779 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Putative uncharacterized protein' na 30020 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 . GLY . 30020 1 2 . SER . 30020 1 3 . HIS . 30020 1 4 . MET . 30020 1 5 726 ARG . 30020 1 6 727 THR . 30020 1 7 728 VAL . 30020 1 8 729 SER . 30020 1 9 730 GLY . 30020 1 10 731 VAL . 30020 1 11 732 CYS . 30020 1 12 733 ALA . 30020 1 13 734 ASP . 30020 1 14 735 VAL . 30020 1 15 736 SER . 30020 1 16 737 GLU . 30020 1 17 738 TYR . 30020 1 18 739 HIS . 30020 1 19 740 PRO . 30020 1 20 741 ASN . 30020 1 21 742 ILE . 30020 1 22 743 LYS . 30020 1 23 744 ASN . 30020 1 24 745 TRP . 30020 1 25 746 GLN . 30020 1 26 747 ILE . 30020 1 27 748 GLU . 30020 1 28 749 SER . 30020 1 29 750 TYR . 30020 1 30 751 GLY . 30020 1 31 752 GLU . 30020 1 32 753 PRO . 30020 1 33 754 GLU . 30020 1 34 755 PHE . 30020 1 35 756 HIS . 30020 1 36 757 THR . 30020 1 37 758 ALA . 30020 1 38 759 LYS . 30020 1 39 760 VAL . 30020 1 40 761 HIS . 30020 1 41 762 LEU . 30020 1 42 763 LYS . 30020 1 43 764 CYS . 30020 1 44 765 ALA . 30020 1 45 766 PRO . 30020 1 46 767 GLY . 30020 1 47 768 GLN . 30020 1 48 769 THR . 30020 1 49 770 ILE . 30020 1 50 771 SER . 30020 1 51 772 ALA . 30020 1 52 773 ILE . 30020 1 53 774 LYS . 30020 1 54 775 PHE . 30020 1 55 776 ALA . 30020 1 56 777 SER . 30020 1 57 778 PHE . 30020 1 58 779 GLY . 30020 1 59 780 THR . 30020 1 60 781 PRO . 30020 1 61 782 LEU . 30020 1 62 783 GLY . 30020 1 63 784 THR . 30020 1 64 785 CYS . 30020 1 65 786 GLY . 30020 1 66 787 THR . 30020 1 67 788 PHE . 30020 1 68 789 GLN . 30020 1 69 790 GLN . 30020 1 70 791 GLY . 30020 1 71 792 GLU . 30020 1 72 793 CYS . 30020 1 73 794 HIS . 30020 1 74 795 SER . 30020 1 75 796 ILE . 30020 1 76 797 ASN . 30020 1 77 798 SER . 30020 1 78 799 ASN . 30020 1 79 800 SER . 30020 1 80 801 VAL . 30020 1 81 802 LEU . 30020 1 82 803 GLU . 30020 1 83 804 ARG . 30020 1 84 805 LYS . 30020 1 85 806 CYS . 30020 1 86 807 ILE . 30020 1 87 808 GLY . 30020 1 88 809 LEU . 30020 1 89 810 GLU . 30020 1 90 811 ARG . 30020 1 91 812 CYS . 30020 1 92 813 VAL . 30020 1 93 814 VAL . 30020 1 94 815 ALA . 30020 1 95 816 ILE . 30020 1 96 817 SER . 30020 1 97 818 PRO . 30020 1 98 819 SER . 30020 1 99 820 ASN . 30020 1 100 821 PHE . 30020 1 101 822 GLY . 30020 1 102 823 GLY . 30020 1 103 824 ASP . 30020 1 104 825 PRO . 30020 1 105 826 CYS . 30020 1 106 827 PRO . 30020 1 107 828 GLU . 30020 1 108 829 VAL . 30020 1 109 830 MET . 30020 1 110 831 LYS . 30020 1 111 832 ARG . 30020 1 112 833 VAL . 30020 1 113 834 ALA . 30020 1 114 835 VAL . 30020 1 115 836 GLU . 30020 1 116 837 ALA . 30020 1 117 838 VAL . 30020 1 118 839 CYS . 30020 1 119 840 SER . 30020 1 120 841 THR . 30020 1 121 842 ALA . 30020 1 122 843 ALA . 30020 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 30020 1 . SER 2 2 30020 1 . HIS 3 3 30020 1 . MET 4 4 30020 1 . ARG 5 5 30020 1 . THR 6 6 30020 1 . VAL 7 7 30020 1 . SER 8 8 30020 1 . GLY 9 9 30020 1 . VAL 10 10 30020 1 . CYS 11 11 30020 1 . ALA 12 12 30020 1 . ASP 13 13 30020 1 . VAL 14 14 30020 1 . SER 15 15 30020 1 . GLU 16 16 30020 1 . TYR 17 17 30020 1 . HIS 18 18 30020 1 . PRO 19 19 30020 1 . ASN 20 20 30020 1 . ILE 21 21 30020 1 . LYS 22 22 30020 1 . ASN 23 23 30020 1 . TRP 24 24 30020 1 . GLN 25 25 30020 1 . ILE 26 26 30020 1 . GLU 27 27 30020 1 . SER 28 28 30020 1 . TYR 29 29 30020 1 . GLY 30 30 30020 1 . GLU 31 31 30020 1 . PRO 32 32 30020 1 . GLU 33 33 30020 1 . PHE 34 34 30020 1 . HIS 35 35 30020 1 . THR 36 36 30020 1 . ALA 37 37 30020 1 . LYS 38 38 30020 1 . VAL 39 39 30020 1 . HIS 40 40 30020 1 . LEU 41 41 30020 1 . LYS 42 42 30020 1 . CYS 43 43 30020 1 . ALA 44 44 30020 1 . PRO 45 45 30020 1 . GLY 46 46 30020 1 . GLN 47 47 30020 1 . THR 48 48 30020 1 . ILE 49 49 30020 1 . SER 50 50 30020 1 . ALA 51 51 30020 1 . ILE 52 52 30020 1 . LYS 53 53 30020 1 . PHE 54 54 30020 1 . ALA 55 55 30020 1 . SER 56 56 30020 1 . PHE 57 57 30020 1 . GLY 58 58 30020 1 . THR 59 59 30020 1 . PRO 60 60 30020 1 . LEU 61 61 30020 1 . GLY 62 62 30020 1 . THR 63 63 30020 1 . CYS 64 64 30020 1 . GLY 65 65 30020 1 . THR 66 66 30020 1 . PHE 67 67 30020 1 . GLN 68 68 30020 1 . GLN 69 69 30020 1 . GLY 70 70 30020 1 . GLU 71 71 30020 1 . CYS 72 72 30020 1 . HIS 73 73 30020 1 . SER 74 74 30020 1 . ILE 75 75 30020 1 . ASN 76 76 30020 1 . SER 77 77 30020 1 . ASN 78 78 30020 1 . SER 79 79 30020 1 . VAL 80 80 30020 1 . LEU 81 81 30020 1 . GLU 82 82 30020 1 . ARG 83 83 30020 1 . LYS 84 84 30020 1 . CYS 85 85 30020 1 . ILE 86 86 30020 1 . GLY 87 87 30020 1 . LEU 88 88 30020 1 . GLU 89 89 30020 1 . ARG 90 90 30020 1 . CYS 91 91 30020 1 . VAL 92 92 30020 1 . VAL 93 93 30020 1 . ALA 94 94 30020 1 . ILE 95 95 30020 1 . SER 96 96 30020 1 . PRO 97 97 30020 1 . SER 98 98 30020 1 . ASN 99 99 30020 1 . PHE 100 100 30020 1 . GLY 101 101 30020 1 . GLY 102 102 30020 1 . ASP 103 103 30020 1 . PRO 104 104 30020 1 . CYS 105 105 30020 1 . PRO 106 106 30020 1 . GLU 107 107 30020 1 . VAL 108 108 30020 1 . MET 109 109 30020 1 . LYS 110 110 30020 1 . ARG 111 111 30020 1 . VAL 112 112 30020 1 . ALA 113 113 30020 1 . VAL 114 114 30020 1 . GLU 115 115 30020 1 . ALA 116 116 30020 1 . VAL 117 117 30020 1 . CYS 118 118 30020 1 . SER 119 119 30020 1 . THR 120 120 30020 1 . ALA 121 121 30020 1 . ALA 122 122 30020 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 30020 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 39946 organism . 'Oryza sativa subsp. indica' Rice . . Eukaryota Metazoa Oryza sativa . . . . . . . . . . . OsI_10152 . 30020 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 30020 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'Origami B(DE3)' . . . . . . . . . 30020 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30020 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O [U-2H] . . . . . . 5 . . % . . . . 30020 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30020 1 3 'OsBGal1 Cter' 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 30020 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30020 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30020 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30020 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.54 mM OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 100 % [U-2H] D2O, 100% D2O.' _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 D2O [U-2H] . . . . . . 100 . . % . . . . 30020 2 2 'OsBGal1 Cter' 'natural abundance' . . 1 $entity_1 . . 0.54 . . mM . . . . 30020 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30020 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30020 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30020 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.79 mM [U-100% 15N] OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O [U-2H] . . . . . . 5 . . % . . . . 30020 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30020 3 3 'OsBGal1 Cter' '[U-100% 15N]' . . 1 $entity_1 . . 0.79 . . mM . . . . 30020 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30020 3 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30020 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30020 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-100% 13C; U-100% 15N] OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O [U-2H] . . . . . . 5 . . % . . . . 30020 4 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30020 4 3 'OsBGal1 Cter' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30020 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30020 4 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30020 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30020 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.18 mM [U-10% 13C] OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 D2O [U-2H] . . . . . . 5 . . % . . . . 30020 5 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30020 5 3 'OsBGal1 Cter' '[U-10% 13C]' . . 1 $entity_1 . . 0.18 . . mM . . . . 30020 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30020 5 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30020 5 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 30020 _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 . mM 30020 1 pH 7.4 . pH 30020 1 pressure 1 . atm 30020 1 temperature 298 . K 30020 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30020 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30020 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30020 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30020 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30020 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30020 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30020 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 30020 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30020 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30020 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 30020 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30020 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30020 _Software.ID 5 _Software.Name X-PLOR _Software.Version v3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 30020 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30020 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30020 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'UNITY INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30020 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30020 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30020 _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 NMR_spectrometer_1 Varian 'UNITY INOVA' . 500 . . . 30020 1 2 NMR_spectrometer_2 Bruker 'AVANCE DRX' . 800 . . . 30020 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 800 . . . 30020 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 30020 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30020 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30020 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30020 1 4 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30020 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 7 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 9 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 11 '3D C(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 12 '3D HBCBCACOCAHA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30020 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30020 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30020 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.25144953 . . . . . 30020 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external indirect 1.0 . . . . . 30020 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 na indirect 0.10132912 . . . . . 30020 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30020 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H NOESY' . . . 30020 1 3 '3D 1H-15N NOESY' . . . 30020 1 5 '2D 1H-15N HSQC' . . . 30020 1 7 '3D HNCO' . . . 30020 1 8 '3D CBCA(CO)NH' . . . 30020 1 9 '3D HNCACB' . . . 30020 1 10 '3D HCCH-TOCSY' . . . 30020 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30020 1 3 $software_3 . . 30020 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 5 5 ARG H H 1 8.44 0.01 . 1 . . . A 726 ARG H . 30020 1 2 . 1 1 5 5 ARG HA H 1 4.45 0.01 . 1 . . . A 726 ARG HA . 30020 1 3 . 1 1 5 5 ARG HB2 H 1 1.74 0.01 . 2 . . . A 726 ARG HB2 . 30020 1 4 . 1 1 5 5 ARG HB3 H 1 1.83 0.01 . 2 . . . A 726 ARG HB3 . 30020 1 5 . 1 1 5 5 ARG HG2 H 1 1.56 0.01 . 2 . . . A 726 ARG HG2 . 30020 1 6 . 1 1 5 5 ARG HG3 H 1 1.62 0.01 . 2 . . . A 726 ARG HG3 . 30020 1 7 . 1 1 5 5 ARG HD2 H 1 3.17 0.01 . 1 . . . A 726 ARG HD2 . 30020 1 8 . 1 1 5 5 ARG HD3 H 1 3.17 0.01 . 1 . . . A 726 ARG HD3 . 30020 1 9 . 1 1 5 5 ARG C C 13 176.0 0.04 . 1 . . . A 726 ARG C . 30020 1 10 . 1 1 5 5 ARG CA C 13 55.9 0.04 . 1 . . . A 726 ARG CA . 30020 1 11 . 1 1 5 5 ARG CB C 13 31.1 0.04 . 1 . . . A 726 ARG CB . 30020 1 12 . 1 1 5 5 ARG CG C 13 27.2 0.04 . 1 . . . A 726 ARG CG . 30020 1 13 . 1 1 5 5 ARG CD C 13 43.4 0.04 . 1 . . . A 726 ARG CD . 30020 1 14 . 1 1 5 5 ARG N N 15 122.8 0.15 . 1 . . . A 726 ARG N . 30020 1 15 . 1 1 6 6 THR H H 1 8.29 0.01 . 1 . . . A 727 THR H . 30020 1 16 . 1 1 6 6 THR HA H 1 4.45 0.01 . 1 . . . A 727 THR HA . 30020 1 17 . 1 1 6 6 THR HB H 1 4.14 0.01 . 1 . . . A 727 THR HB . 30020 1 18 . 1 1 6 6 THR HG21 H 1 1.13 0.01 . 1 . . . A 727 THR HG21 . 30020 1 19 . 1 1 6 6 THR HG22 H 1 1.13 0.01 . 1 . . . A 727 THR HG22 . 30020 1 20 . 1 1 6 6 THR HG23 H 1 1.13 0.01 . 1 . . . A 727 THR HG23 . 30020 1 21 . 1 1 6 6 THR C C 13 174.1 0.04 . 1 . . . A 727 THR C . 30020 1 22 . 1 1 6 6 THR CA C 13 61.9 0.04 . 1 . . . A 727 THR CA . 30020 1 23 . 1 1 6 6 THR CB C 13 70.2 0.04 . 1 . . . A 727 THR CB . 30020 1 24 . 1 1 6 6 THR CG2 C 13 21.8 0.04 . 1 . . . A 727 THR CG2 . 30020 1 25 . 1 1 6 6 THR N N 15 117.4 0.15 . 1 . . . A 727 THR N . 30020 1 26 . 1 1 7 7 VAL H H 1 8.34 0.01 . 1 . . . A 728 VAL H . 30020 1 27 . 1 1 7 7 VAL HA H 1 4.56 0.01 . 1 . . . A 728 VAL HA . 30020 1 28 . 1 1 7 7 VAL HB H 1 2.04 0.01 . 1 . . . A 728 VAL HB . 30020 1 29 . 1 1 7 7 VAL HG11 H 1 0.93 0.01 . 1 . . . A 728 VAL HG11 . 30020 1 30 . 1 1 7 7 VAL HG12 H 1 0.93 0.01 . 1 . . . A 728 VAL HG12 . 30020 1 31 . 1 1 7 7 VAL HG13 H 1 0.93 0.01 . 1 . . . A 728 VAL HG13 . 30020 1 32 . 1 1 7 7 VAL HG21 H 1 0.90 0.01 . 1 . . . A 728 VAL HG21 . 30020 1 33 . 1 1 7 7 VAL HG22 H 1 0.90 0.01 . 1 . . . A 728 VAL HG22 . 30020 1 34 . 1 1 7 7 VAL HG23 H 1 0.90 0.01 . 1 . . . A 728 VAL HG23 . 30020 1 35 . 1 1 7 7 VAL C C 13 175.7 0.04 . 1 . . . A 728 VAL C . 30020 1 36 . 1 1 7 7 VAL CA C 13 61.7 0.04 . 1 . . . A 728 VAL CA . 30020 1 37 . 1 1 7 7 VAL CB C 13 33.9 0.04 . 1 . . . A 728 VAL CB . 30020 1 38 . 1 1 7 7 VAL CG1 C 13 21.3 0.04 . 1 . . . A 728 VAL CG1 . 30020 1 39 . 1 1 7 7 VAL CG2 C 13 20.4 0.04 . 1 . . . A 728 VAL CG2 . 30020 1 40 . 1 1 7 7 VAL N N 15 122.0 0.15 . 1 . . . A 728 VAL N . 30020 1 41 . 1 1 8 8 SER H H 1 8.68 0.01 . 1 . . . A 729 SER H . 30020 1 42 . 1 1 8 8 SER HA H 1 4.73 0.01 . 1 . . . A 729 SER HA . 30020 1 43 . 1 1 8 8 SER HB2 H 1 3.89 0.01 . 1 . . . A 729 SER HB2 . 30020 1 44 . 1 1 8 8 SER HB3 H 1 3.89 0.01 . 1 . . . A 729 SER HB3 . 30020 1 45 . 1 1 8 8 SER C C 13 173.8 0.04 . 1 . . . A 729 SER C . 30020 1 46 . 1 1 8 8 SER CA C 13 57.8 0.04 . 1 . . . A 729 SER CA . 30020 1 47 . 1 1 8 8 SER CB C 13 64.8 0.04 . 1 . . . A 729 SER CB . 30020 1 48 . 1 1 8 8 SER N N 15 118.4 0.15 . 1 . . . A 729 SER N . 30020 1 49 . 1 1 9 9 GLY H H 1 8.53 0.01 . 1 . . . A 730 GLY H . 30020 1 50 . 1 1 9 9 GLY HA2 H 1 4.01 0.01 . 2 . . . A 730 GLY HA2 . 30020 1 51 . 1 1 9 9 GLY HA3 H 1 4.67 0.01 . 2 . . . A 730 GLY HA3 . 30020 1 52 . 1 1 9 9 GLY C C 13 173.3 0.04 . 1 . . . A 730 GLY C . 30020 1 53 . 1 1 9 9 GLY CA C 13 45.4 0.04 . 1 . . . A 730 GLY CA . 30020 1 54 . 1 1 9 9 GLY N N 15 110.3 0.15 . 1 . . . A 730 GLY N . 30020 1 55 . 1 1 10 10 VAL H H 1 8.42 0.01 . 1 . . . A 731 VAL H . 30020 1 56 . 1 1 10 10 VAL HA H 1 4.67 0.01 . 1 . . . A 731 VAL HA . 30020 1 57 . 1 1 10 10 VAL HB H 1 2.16 0.01 . 1 . . . A 731 VAL HB . 30020 1 58 . 1 1 10 10 VAL HG11 H 1 0.94 0.01 . 1 . . . A 731 VAL HG11 . 30020 1 59 . 1 1 10 10 VAL HG12 H 1 0.94 0.01 . 1 . . . A 731 VAL HG12 . 30020 1 60 . 1 1 10 10 VAL HG13 H 1 0.94 0.01 . 1 . . . A 731 VAL HG13 . 30020 1 61 . 1 1 10 10 VAL HG21 H 1 0.95 0.01 . 1 . . . A 731 VAL HG21 . 30020 1 62 . 1 1 10 10 VAL HG22 H 1 0.95 0.01 . 1 . . . A 731 VAL HG22 . 30020 1 63 . 1 1 10 10 VAL HG23 H 1 0.95 0.01 . 1 . . . A 731 VAL HG23 . 30020 1 64 . 1 1 10 10 VAL C C 13 174.2 0.04 . 1 . . . A 731 VAL C . 30020 1 65 . 1 1 10 10 VAL CA C 13 61.0 0.04 . 1 . . . A 731 VAL CA . 30020 1 66 . 1 1 10 10 VAL CB C 13 34.6 0.04 . 1 . . . A 731 VAL CB . 30020 1 67 . 1 1 10 10 VAL CG1 C 13 21.6 0.04 . 1 . . . A 731 VAL CG1 . 30020 1 68 . 1 1 10 10 VAL CG2 C 13 20.6 0.04 . 1 . . . A 731 VAL CG2 . 30020 1 69 . 1 1 10 10 VAL N N 15 118.2 0.15 . 1 . . . A 731 VAL N . 30020 1 70 . 1 1 11 11 CYS H H 1 8.75 0.01 . 1 . . . A 732 CYS H . 30020 1 71 . 1 1 11 11 CYS HA H 1 5.77 0.01 . 1 . . . A 732 CYS HA . 30020 1 72 . 1 1 11 11 CYS HB2 H 1 3.17 0.01 . 2 . . . A 732 CYS HB2 . 30020 1 73 . 1 1 11 11 CYS HB3 H 1 3.72 0.01 . 2 . . . A 732 CYS HB3 . 30020 1 74 . 1 1 11 11 CYS C C 13 173.6 0.04 . 1 . . . A 732 CYS C . 30020 1 75 . 1 1 11 11 CYS CA C 13 53.6 0.04 . 1 . . . A 732 CYS CA . 30020 1 76 . 1 1 11 11 CYS CB C 13 49.3 0.04 . 1 . . . A 732 CYS CB . 30020 1 77 . 1 1 11 11 CYS N N 15 121.6 0.15 . 1 . . . A 732 CYS N . 30020 1 78 . 1 1 12 12 ALA H H 1 9.04 0.01 . 1 . . . A 733 ALA H . 30020 1 79 . 1 1 12 12 ALA HA H 1 4.74 0.01 . 1 . . . A 733 ALA HA . 30020 1 80 . 1 1 12 12 ALA HB1 H 1 1.35 0.01 . 1 . . . A 733 ALA HB1 . 30020 1 81 . 1 1 12 12 ALA HB2 H 1 1.35 0.01 . 1 . . . A 733 ALA HB2 . 30020 1 82 . 1 1 12 12 ALA HB3 H 1 1.35 0.01 . 1 . . . A 733 ALA HB3 . 30020 1 83 . 1 1 12 12 ALA C C 13 174.8 0.04 . 1 . . . A 733 ALA C . 30020 1 84 . 1 1 12 12 ALA CA C 13 51.9 0.04 . 1 . . . A 733 ALA CA . 30020 1 85 . 1 1 12 12 ALA CB C 13 23.8 0.04 . 1 . . . A 733 ALA CB . 30020 1 86 . 1 1 12 12 ALA N N 15 124.3 0.15 . 1 . . . A 733 ALA N . 30020 1 87 . 1 1 13 13 ASP H H 1 8.27 0.01 . 1 . . . A 734 ASP H . 30020 1 88 . 1 1 13 13 ASP HA H 1 5.34 0.01 . 1 . . . A 734 ASP HA . 30020 1 89 . 1 1 13 13 ASP HB2 H 1 2.72 0.01 . 2 . . . A 734 ASP HB2 . 30020 1 90 . 1 1 13 13 ASP HB3 H 1 2.92 0.01 . 2 . . . A 734 ASP HB3 . 30020 1 91 . 1 1 13 13 ASP C C 13 175.6 0.04 . 1 . . . A 734 ASP C . 30020 1 92 . 1 1 13 13 ASP CA C 13 53.8 0.04 . 1 . . . A 734 ASP CA . 30020 1 93 . 1 1 13 13 ASP CB C 13 41.8 0.04 . 1 . . . A 734 ASP CB . 30020 1 94 . 1 1 13 13 ASP N N 15 120.5 0.15 . 1 . . . A 734 ASP N . 30020 1 95 . 1 1 14 14 VAL H H 1 8.65 0.01 . 1 . . . A 735 VAL H . 30020 1 96 . 1 1 14 14 VAL HA H 1 4.47 0.01 . 1 . . . A 735 VAL HA . 30020 1 97 . 1 1 14 14 VAL HB H 1 1.84 0.01 . 1 . . . A 735 VAL HB . 30020 1 98 . 1 1 14 14 VAL HG11 H 1 0.98 0.01 . 1 . . . A 735 VAL HG11 . 30020 1 99 . 1 1 14 14 VAL HG12 H 1 0.98 0.01 . 1 . . . A 735 VAL HG12 . 30020 1 100 . 1 1 14 14 VAL HG13 H 1 0.98 0.01 . 1 . . . A 735 VAL HG13 . 30020 1 101 . 1 1 14 14 VAL HG21 H 1 1.11 0.01 . 1 . . . A 735 VAL HG21 . 30020 1 102 . 1 1 14 14 VAL HG22 H 1 1.11 0.01 . 1 . . . A 735 VAL HG22 . 30020 1 103 . 1 1 14 14 VAL HG23 H 1 1.11 0.01 . 1 . . . A 735 VAL HG23 . 30020 1 104 . 1 1 14 14 VAL C C 13 174.8 0.04 . 1 . . . A 735 VAL C . 30020 1 105 . 1 1 14 14 VAL CA C 13 61.2 0.04 . 1 . . . A 735 VAL CA . 30020 1 106 . 1 1 14 14 VAL CB C 13 35.9 0.04 . 1 . . . A 735 VAL CB . 30020 1 107 . 1 1 14 14 VAL CG1 C 13 21.5 0.04 . 1 . . . A 735 VAL CG1 . 30020 1 108 . 1 1 14 14 VAL CG2 C 13 21.8 0.04 . 1 . . . A 735 VAL CG2 . 30020 1 109 . 1 1 14 14 VAL N N 15 124.0 0.15 . 1 . . . A 735 VAL N . 30020 1 110 . 1 1 15 15 SER H H 1 8.55 0.01 . 1 . . . A 736 SER H . 30020 1 111 . 1 1 15 15 SER HA H 1 4.74 0.01 . 1 . . . A 736 SER HA . 30020 1 112 . 1 1 15 15 SER HB2 H 1 3.89 0.01 . 1 . . . A 736 SER HB2 . 30020 1 113 . 1 1 15 15 SER HB3 H 1 3.89 0.01 . 1 . . . A 736 SER HB3 . 30020 1 114 . 1 1 15 15 SER C C 13 174.4 0.04 . 1 . . . A 736 SER C . 30020 1 115 . 1 1 15 15 SER CA C 13 58.3 0.04 . 1 . . . A 736 SER CA . 30020 1 116 . 1 1 15 15 SER CB C 13 64.3 0.04 . 1 . . . A 736 SER CB . 30020 1 117 . 1 1 15 15 SER N N 15 120.8 0.15 . 1 . . . A 736 SER N . 30020 1 118 . 1 1 16 16 GLU H H 1 8.44 0.01 . 1 . . . A 737 GLU H . 30020 1 119 . 1 1 16 16 GLU HA H 1 4.09 0.01 . 1 . . . A 737 GLU HA . 30020 1 120 . 1 1 16 16 GLU HB2 H 1 1.95 0.01 . 2 . . . A 737 GLU HB2 . 30020 1 121 . 1 1 16 16 GLU HB3 H 1 2.10 0.01 . 2 . . . A 737 GLU HB3 . 30020 1 122 . 1 1 16 16 GLU HG2 H 1 2.13 0.01 . 2 . . . A 737 GLU HG2 . 30020 1 123 . 1 1 16 16 GLU HG3 H 1 2.38 0.01 . 2 . . . A 737 GLU HG3 . 30020 1 124 . 1 1 16 16 GLU C C 13 175.5 0.04 . 1 . . . A 737 GLU C . 30020 1 125 . 1 1 16 16 GLU CA C 13 57.6 0.04 . 1 . . . A 737 GLU CA . 30020 1 126 . 1 1 16 16 GLU CB C 13 30.9 0.04 . 1 . . . A 737 GLU CB . 30020 1 127 . 1 1 16 16 GLU CG C 13 36.5 0.04 . 1 . . . A 737 GLU CG . 30020 1 128 . 1 1 16 16 GLU N N 15 121.7 0.15 . 1 . . . A 737 GLU N . 30020 1 129 . 1 1 17 17 TYR H H 1 8.14 0.01 . 1 . . . A 738 TYR H . 30020 1 130 . 1 1 17 17 TYR HA H 1 4.56 0.01 . 1 . . . A 738 TYR HA . 30020 1 131 . 1 1 17 17 TYR HB2 H 1 2.90 0.01 . 1 . . . A 738 TYR HB2 . 30020 1 132 . 1 1 17 17 TYR HB3 H 1 2.90 0.01 . 1 . . . A 738 TYR HB3 . 30020 1 133 . 1 1 17 17 TYR HD1 H 1 6.98 0.01 . 1 . . . A 738 TYR HD1 . 30020 1 134 . 1 1 17 17 TYR HD2 H 1 6.98 0.01 . 1 . . . A 738 TYR HD2 . 30020 1 135 . 1 1 17 17 TYR HE1 H 1 6.68 0.01 . 1 . . . A 738 TYR HE1 . 30020 1 136 . 1 1 17 17 TYR HE2 H 1 6.68 0.01 . 1 . . . A 738 TYR HE2 . 30020 1 137 . 1 1 17 17 TYR C C 13 174.8 0.04 . 1 . . . A 738 TYR C . 30020 1 138 . 1 1 17 17 TYR CA C 13 57.6 0.04 . 1 . . . A 738 TYR CA . 30020 1 139 . 1 1 17 17 TYR CB C 13 39.3 0.04 . 1 . . . A 738 TYR CB . 30020 1 140 . 1 1 17 17 TYR N N 15 120.4 0.15 . 1 . . . A 738 TYR N . 30020 1 141 . 1 1 18 18 HIS H H 1 7.99 0.01 . 1 . . . A 739 HIS H . 30020 1 142 . 1 1 18 18 HIS HA H 1 4.61 0.01 . 1 . . . A 739 HIS HA . 30020 1 143 . 1 1 18 18 HIS HB2 H 1 2.91 0.01 . 2 . . . A 739 HIS HB2 . 30020 1 144 . 1 1 18 18 HIS HB3 H 1 2.98 0.01 . 2 . . . A 739 HIS HB3 . 30020 1 145 . 1 1 18 18 HIS HD2 H 1 6.99 0.01 . 1 . . . A 739 HIS HD2 . 30020 1 146 . 1 1 18 18 HIS HE1 H 1 7.74 0.01 . 1 . . . A 739 HIS HE1 . 30020 1 147 . 1 1 18 18 HIS CA C 13 54.2 0.04 . 1 . . . A 739 HIS CA . 30020 1 148 . 1 1 18 18 HIS CB C 13 31.4 0.04 . 1 . . . A 739 HIS CB . 30020 1 149 . 1 1 18 18 HIS N N 15 125.3 0.15 . 1 . . . A 739 HIS N . 30020 1 150 . 1 1 19 19 PRO HA H 1 4.26 0.01 . 1 . . . A 740 PRO HA . 30020 1 151 . 1 1 19 19 PRO HB2 H 1 1.81 0.01 . 2 . . . A 740 PRO HB2 . 30020 1 152 . 1 1 19 19 PRO HB3 H 1 2.19 0.01 . 2 . . . A 740 PRO HB3 . 30020 1 153 . 1 1 19 19 PRO HG2 H 1 1.82 0.01 . 1 . . . A 740 PRO HG2 . 30020 1 154 . 1 1 19 19 PRO HG3 H 1 1.82 0.01 . 1 . . . A 740 PRO HG3 . 30020 1 155 . 1 1 19 19 PRO HD2 H 1 3.08 0.01 . 2 . . . A 740 PRO HD2 . 30020 1 156 . 1 1 19 19 PRO HD3 H 1 3.34 0.01 . 2 . . . A 740 PRO HD3 . 30020 1 157 . 1 1 19 19 PRO CA C 13 63.6 0.04 . 1 . . . A 740 PRO CA . 30020 1 158 . 1 1 19 19 PRO CB C 13 32.1 0.04 . 1 . . . A 740 PRO CB . 30020 1 159 . 1 1 19 19 PRO CG C 13 27.2 0.04 . 1 . . . A 740 PRO CG . 30020 1 160 . 1 1 19 19 PRO CD C 13 50.5 0.04 . 1 . . . A 740 PRO CD . 30020 1 161 . 1 1 20 20 ASN HA H 1 4.69 0.01 . 1 . . . A 741 ASN HA . 30020 1 162 . 1 1 20 20 ASN HB2 H 1 2.74 0.01 . 2 . . . A 741 ASN HB2 . 30020 1 163 . 1 1 20 20 ASN HB3 H 1 2.86 0.01 . 2 . . . A 741 ASN HB3 . 30020 1 164 . 1 1 20 20 ASN HD21 H 1 6.91 0.01 . 2 . . . A 741 ASN HD21 . 30020 1 165 . 1 1 20 20 ASN HD22 H 1 7.58 0.01 . 2 . . . A 741 ASN HD22 . 30020 1 166 . 1 1 20 20 ASN C C 13 175.4 0.04 . 1 . . . A 741 ASN C . 30020 1 167 . 1 1 20 20 ASN CA C 13 53.3 0.04 . 1 . . . A 741 ASN CA . 30020 1 168 . 1 1 20 20 ASN CB C 13 38.5 0.04 . 1 . . . A 741 ASN CB . 30020 1 169 . 1 1 20 20 ASN CG C 13 177.2 0.04 . 1 . . . A 741 ASN CG . 30020 1 170 . 1 1 20 20 ASN ND2 N 15 112.8 0.15 . 1 . . . A 741 ASN ND2 . 30020 1 171 . 1 1 21 21 ILE H H 1 7.85 0.01 . 1 . . . A 742 ILE H . 30020 1 172 . 1 1 21 21 ILE HA H 1 4.04 0.01 . 1 . . . A 742 ILE HA . 30020 1 173 . 1 1 21 21 ILE HB H 1 1.79 0.01 . 1 . . . A 742 ILE HB . 30020 1 174 . 1 1 21 21 ILE HG12 H 1 1.09 0.01 . 2 . . . A 742 ILE HG12 . 30020 1 175 . 1 1 21 21 ILE HG13 H 1 1.34 0.01 . 2 . . . A 742 ILE HG13 . 30020 1 176 . 1 1 21 21 ILE HG21 H 1 0.80 0.01 . 1 . . . A 742 ILE HG21 . 30020 1 177 . 1 1 21 21 ILE HG22 H 1 0.80 0.01 . 1 . . . A 742 ILE HG22 . 30020 1 178 . 1 1 21 21 ILE HG23 H 1 0.80 0.01 . 1 . . . A 742 ILE HG23 . 30020 1 179 . 1 1 21 21 ILE HD11 H 1 0.77 0.01 . 1 . . . A 742 ILE HD11 . 30020 1 180 . 1 1 21 21 ILE HD12 H 1 0.77 0.01 . 1 . . . A 742 ILE HD12 . 30020 1 181 . 1 1 21 21 ILE HD13 H 1 0.77 0.01 . 1 . . . A 742 ILE HD13 . 30020 1 182 . 1 1 21 21 ILE C C 13 176.0 0.04 . 1 . . . A 742 ILE C . 30020 1 183 . 1 1 21 21 ILE CA C 13 61.4 0.04 . 1 . . . A 742 ILE CA . 30020 1 184 . 1 1 21 21 ILE CB C 13 38.8 0.04 . 1 . . . A 742 ILE CB . 30020 1 185 . 1 1 21 21 ILE CG1 C 13 27.4 0.04 . 1 . . . A 742 ILE CG1 . 30020 1 186 . 1 1 21 21 ILE CG2 C 13 17.5 0.04 . 1 . . . A 742 ILE CG2 . 30020 1 187 . 1 1 21 21 ILE CD1 C 13 13.1 0.04 . 1 . . . A 742 ILE CD1 . 30020 1 188 . 1 1 21 21 ILE N N 15 120.7 0.15 . 1 . . . A 742 ILE N . 30020 1 189 . 1 1 22 22 LYS H H 1 8.24 0.01 . 1 . . . A 743 LYS H . 30020 1 190 . 1 1 22 22 LYS HA H 1 4.18 0.01 . 1 . . . A 743 LYS HA . 30020 1 191 . 1 1 22 22 LYS HB2 H 1 1.60 0.01 . 1 . . . A 743 LYS HB2 . 30020 1 192 . 1 1 22 22 LYS HB3 H 1 1.60 0.01 . 1 . . . A 743 LYS HB3 . 30020 1 193 . 1 1 22 22 LYS HG2 H 1 1.27 0.01 . 2 . . . A 743 LYS HG2 . 30020 1 194 . 1 1 22 22 LYS HG3 H 1 1.30 0.01 . 2 . . . A 743 LYS HG3 . 30020 1 195 . 1 1 22 22 LYS HD2 H 1 1.57 0.01 . 1 . . . A 743 LYS HD2 . 30020 1 196 . 1 1 22 22 LYS HD3 H 1 1.57 0.01 . 1 . . . A 743 LYS HD3 . 30020 1 197 . 1 1 22 22 LYS HE2 H 1 2.88 0.01 . 1 . . . A 743 LYS HE2 . 30020 1 198 . 1 1 22 22 LYS HE3 H 1 2.88 0.01 . 1 . . . A 743 LYS HE3 . 30020 1 199 . 1 1 22 22 LYS CA C 13 56.5 0.04 . 1 . . . A 743 LYS CA . 30020 1 200 . 1 1 22 22 LYS CB C 13 32.7 0.04 . 1 . . . A 743 LYS CB . 30020 1 201 . 1 1 22 22 LYS CG C 13 24.7 0.04 . 1 . . . A 743 LYS CG . 30020 1 202 . 1 1 22 22 LYS CD C 13 29.0 0.04 . 1 . . . A 743 LYS CD . 30020 1 203 . 1 1 22 22 LYS CE C 13 42.1 0.04 . 1 . . . A 743 LYS CE . 30020 1 204 . 1 1 22 22 LYS N N 15 124.0 0.15 . 1 . . . A 743 LYS N . 30020 1 205 . 1 1 23 23 ASN HA H 1 4.62 0.01 . 1 . . . A 744 ASN HA . 30020 1 206 . 1 1 23 23 ASN HB2 H 1 2.70 0.01 . 2 . . . A 744 ASN HB2 . 30020 1 207 . 1 1 23 23 ASN HB3 H 1 2.78 0.01 . 2 . . . A 744 ASN HB3 . 30020 1 208 . 1 1 23 23 ASN HD21 H 1 6.89 0.01 . 2 . . . A 744 ASN HD21 . 30020 1 209 . 1 1 23 23 ASN HD22 H 1 7.56 0.01 . 2 . . . A 744 ASN HD22 . 30020 1 210 . 1 1 23 23 ASN C C 13 175.1 0.04 . 1 . . . A 744 ASN C . 30020 1 211 . 1 1 23 23 ASN CA C 13 53.4 0.04 . 1 . . . A 744 ASN CA . 30020 1 212 . 1 1 23 23 ASN CB C 13 38.4 0.04 . 1 . . . A 744 ASN CB . 30020 1 213 . 1 1 23 23 ASN CG C 13 177.0 0.04 . 1 . . . A 744 ASN CG . 30020 1 214 . 1 1 23 23 ASN ND2 N 15 112.5 0.15 . 1 . . . A 744 ASN ND2 . 30020 1 215 . 1 1 24 24 TRP H H 1 7.90 0.01 . 1 . . . A 745 TRP H . 30020 1 216 . 1 1 24 24 TRP HA H 1 4.50 0.01 . 1 . . . A 745 TRP HA . 30020 1 217 . 1 1 24 24 TRP HB2 H 1 3.24 0.01 . 1 . . . A 745 TRP HB2 . 30020 1 218 . 1 1 24 24 TRP HB3 H 1 3.24 0.01 . 1 . . . A 745 TRP HB3 . 30020 1 219 . 1 1 24 24 TRP HD1 H 1 7.20 0.01 . 1 . . . A 745 TRP HD1 . 30020 1 220 . 1 1 24 24 TRP HE1 H 1 10.11 0.01 . 1 . . . A 745 TRP HE1 . 30020 1 221 . 1 1 24 24 TRP HE3 H 1 7.48 0.01 . 1 . . . A 745 TRP HE3 . 30020 1 222 . 1 1 24 24 TRP HZ2 H 1 7.38 0.01 . 1 . . . A 745 TRP HZ2 . 30020 1 223 . 1 1 24 24 TRP HZ3 H 1 7.05 0.01 . 1 . . . A 745 TRP HZ3 . 30020 1 224 . 1 1 24 24 TRP HH2 H 1 7.13 0.01 . 1 . . . A 745 TRP HH2 . 30020 1 225 . 1 1 24 24 TRP C C 13 176.2 0.04 . 1 . . . A 745 TRP C . 30020 1 226 . 1 1 24 24 TRP CA C 13 57.8 0.04 . 1 . . . A 745 TRP CA . 30020 1 227 . 1 1 24 24 TRP CB C 13 29.0 0.04 . 1 . . . A 745 TRP CB . 30020 1 228 . 1 1 24 24 TRP N N 15 120.7 0.15 . 1 . . . A 745 TRP N . 30020 1 229 . 1 1 24 24 TRP NE1 N 15 129.6 0.15 . 1 . . . A 745 TRP NE1 . 30020 1 230 . 1 1 25 25 GLN H H 1 7.97 0.01 . 1 . . . A 746 GLN H . 30020 1 231 . 1 1 25 25 GLN HA H 1 4.14 0.01 . 1 . . . A 746 GLN HA . 30020 1 232 . 1 1 25 25 GLN HB2 H 1 1.78 0.01 . 2 . . . A 746 GLN HB2 . 30020 1 233 . 1 1 25 25 GLN HB3 H 1 1.92 0.01 . 2 . . . A 746 GLN HB3 . 30020 1 234 . 1 1 25 25 GLN HG2 H 1 1.91 0.01 . 2 . . . A 746 GLN HG2 . 30020 1 235 . 1 1 25 25 GLN HG3 H 1 2.02 0.01 . 2 . . . A 746 GLN HG3 . 30020 1 236 . 1 1 25 25 GLN HE21 H 1 6.77 0.01 . 2 . . . A 746 GLN HE21 . 30020 1 237 . 1 1 25 25 GLN HE22 H 1 7.32 0.01 . 2 . . . A 746 GLN HE22 . 30020 1 238 . 1 1 25 25 GLN C C 13 175.8 0.04 . 1 . . . A 746 GLN C . 30020 1 239 . 1 1 25 25 GLN CA C 13 56.2 0.04 . 1 . . . A 746 GLN CA . 30020 1 240 . 1 1 25 25 GLN CB C 13 29.1 0.04 . 1 . . . A 746 GLN CB . 30020 1 241 . 1 1 25 25 GLN CG C 13 33.7 0.04 . 1 . . . A 746 GLN CG . 30020 1 242 . 1 1 25 25 GLN CD C 13 180.4 0.04 . 1 . . . A 746 GLN CD . 30020 1 243 . 1 1 25 25 GLN N N 15 121.0 0.15 . 1 . . . A 746 GLN N . 30020 1 244 . 1 1 25 25 GLN NE2 N 15 112.1 0.15 . 1 . . . A 746 GLN NE2 . 30020 1 245 . 1 1 26 26 ILE H H 1 7.81 0.01 . 1 . . . A 747 ILE H . 30020 1 246 . 1 1 26 26 ILE HA H 1 4.00 0.01 . 1 . . . A 747 ILE HA . 30020 1 247 . 1 1 26 26 ILE HB H 1 1.79 0.01 . 1 . . . A 747 ILE HB . 30020 1 248 . 1 1 26 26 ILE HG12 H 1 1.10 0.01 . 2 . . . A 747 ILE HG12 . 30020 1 249 . 1 1 26 26 ILE HG13 H 1 1.40 0.01 . 2 . . . A 747 ILE HG13 . 30020 1 250 . 1 1 26 26 ILE HG21 H 1 0.83 0.01 . 1 . . . A 747 ILE HG21 . 30020 1 251 . 1 1 26 26 ILE HG22 H 1 0.83 0.01 . 1 . . . A 747 ILE HG22 . 30020 1 252 . 1 1 26 26 ILE HG23 H 1 0.83 0.01 . 1 . . . A 747 ILE HG23 . 30020 1 253 . 1 1 26 26 ILE HD11 H 1 0.81 0.01 . 1 . . . A 747 ILE HD11 . 30020 1 254 . 1 1 26 26 ILE HD12 H 1 0.81 0.01 . 1 . . . A 747 ILE HD12 . 30020 1 255 . 1 1 26 26 ILE HD13 H 1 0.81 0.01 . 1 . . . A 747 ILE HD13 . 30020 1 256 . 1 1 26 26 ILE C C 13 176.4 0.04 . 1 . . . A 747 ILE C . 30020 1 257 . 1 1 26 26 ILE CA C 13 61.7 0.04 . 1 . . . A 747 ILE CA . 30020 1 258 . 1 1 26 26 ILE CB C 13 38.8 0.04 . 1 . . . A 747 ILE CB . 30020 1 259 . 1 1 26 26 ILE CG1 C 13 27.5 0.04 . 1 . . . A 747 ILE CG1 . 30020 1 260 . 1 1 26 26 ILE CG2 C 13 17.5 0.04 . 1 . . . A 747 ILE CG2 . 30020 1 261 . 1 1 26 26 ILE CD1 C 13 13.1 0.04 . 1 . . . A 747 ILE CD1 . 30020 1 262 . 1 1 26 26 ILE N N 15 120.5 0.15 . 1 . . . A 747 ILE N . 30020 1 263 . 1 1 27 27 GLU H H 1 8.39 0.01 . 1 . . . A 748 GLU H . 30020 1 264 . 1 1 27 27 GLU HA H 1 4.20 0.01 . 1 . . . A 748 GLU HA . 30020 1 265 . 1 1 27 27 GLU HB2 H 1 1.86 0.01 . 2 . . . A 748 GLU HB2 . 30020 1 266 . 1 1 27 27 GLU HB3 H 1 1.94 0.01 . 2 . . . A 748 GLU HB3 . 30020 1 267 . 1 1 27 27 GLU HG2 H 1 2.18 0.01 . 1 . . . A 748 GLU HG2 . 30020 1 268 . 1 1 27 27 GLU HG3 H 1 2.18 0.01 . 1 . . . A 748 GLU HG3 . 30020 1 269 . 1 1 27 27 GLU C C 13 176.4 0.04 . 1 . . . A 748 GLU C . 30020 1 270 . 1 1 27 27 GLU CA C 13 57.0 0.04 . 1 . . . A 748 GLU CA . 30020 1 271 . 1 1 27 27 GLU CB C 13 29.9 0.04 . 1 . . . A 748 GLU CB . 30020 1 272 . 1 1 27 27 GLU CG C 13 36.3 0.04 . 1 . . . A 748 GLU CG . 30020 1 273 . 1 1 27 27 GLU N N 15 123.1 0.15 . 1 . . . A 748 GLU N . 30020 1 274 . 1 1 28 28 SER H H 1 8.03 0.01 . 1 . . . A 749 SER H . 30020 1 275 . 1 1 28 28 SER HA H 1 4.29 0.01 . 1 . . . A 749 SER HA . 30020 1 276 . 1 1 28 28 SER HB2 H 1 3.67 0.01 . 1 . . . A 749 SER HB2 . 30020 1 277 . 1 1 28 28 SER HB3 H 1 3.67 0.01 . 1 . . . A 749 SER HB3 . 30020 1 278 . 1 1 28 28 SER C C 13 174.2 0.04 . 1 . . . A 749 SER C . 30020 1 279 . 1 1 28 28 SER CA C 13 58.4 0.04 . 1 . . . A 749 SER CA . 30020 1 280 . 1 1 28 28 SER CB C 13 63.8 0.04 . 1 . . . A 749 SER CB . 30020 1 281 . 1 1 28 28 SER N N 15 115.6 0.15 . 1 . . . A 749 SER N . 30020 1 282 . 1 1 29 29 TYR H H 1 8.07 0.01 . 1 . . . A 750 TYR H . 30020 1 283 . 1 1 29 29 TYR HA H 1 4.43 0.01 . 1 . . . A 750 TYR HA . 30020 1 284 . 1 1 29 29 TYR HB2 H 1 2.90 0.01 . 2 . . . A 750 TYR HB2 . 30020 1 285 . 1 1 29 29 TYR HB3 H 1 3.02 0.01 . 2 . . . A 750 TYR HB3 . 30020 1 286 . 1 1 29 29 TYR HD1 H 1 7.00 0.01 . 1 . . . A 750 TYR HD1 . 30020 1 287 . 1 1 29 29 TYR HD2 H 1 7.00 0.01 . 1 . . . A 750 TYR HD2 . 30020 1 288 . 1 1 29 29 TYR HE1 H 1 6.75 0.01 . 1 . . . A 750 TYR HE1 . 30020 1 289 . 1 1 29 29 TYR HE2 H 1 6.75 0.01 . 1 . . . A 750 TYR HE2 . 30020 1 290 . 1 1 29 29 TYR C C 13 176.2 0.04 . 1 . . . A 750 TYR C . 30020 1 291 . 1 1 29 29 TYR CA C 13 58.3 0.04 . 1 . . . A 750 TYR CA . 30020 1 292 . 1 1 29 29 TYR CB C 13 38.4 0.04 . 1 . . . A 750 TYR CB . 30020 1 293 . 1 1 29 29 TYR N N 15 121.5 0.15 . 1 . . . A 750 TYR N . 30020 1 294 . 1 1 30 30 GLY H H 1 8.17 0.01 . 1 . . . A 751 GLY H . 30020 1 295 . 1 1 30 30 GLY HA2 H 1 3.79 0.01 . 2 . . . A 751 GLY HA2 . 30020 1 296 . 1 1 30 30 GLY HA3 H 1 3.90 0.01 . 2 . . . A 751 GLY HA3 . 30020 1 297 . 1 1 30 30 GLY C C 13 173.6 0.04 . 1 . . . A 751 GLY C . 30020 1 298 . 1 1 30 30 GLY CA C 13 45.0 0.04 . 1 . . . A 751 GLY CA . 30020 1 299 . 1 1 30 30 GLY N N 15 110.1 0.15 . 1 . . . A 751 GLY N . 30020 1 300 . 1 1 31 31 GLU H H 1 8.05 0.01 . 1 . . . A 752 GLU H . 30020 1 301 . 1 1 31 31 GLU HA H 1 4.53 0.01 . 1 . . . A 752 GLU HA . 30020 1 302 . 1 1 31 31 GLU HB2 H 1 1.86 0.01 . 2 . . . A 752 GLU HB2 . 30020 1 303 . 1 1 31 31 GLU HB3 H 1 2.02 0.01 . 2 . . . A 752 GLU HB3 . 30020 1 304 . 1 1 31 31 GLU HG2 H 1 2.23 0.01 . 1 . . . A 752 GLU HG2 . 30020 1 305 . 1 1 31 31 GLU HG3 H 1 2.23 0.01 . 1 . . . A 752 GLU HG3 . 30020 1 306 . 1 1 31 31 GLU CA C 13 54.4 0.04 . 1 . . . A 752 GLU CA . 30020 1 307 . 1 1 31 31 GLU CB C 13 29.7 0.04 . 1 . . . A 752 GLU CB . 30020 1 308 . 1 1 31 31 GLU CG C 13 36.1 0.04 . 1 . . . A 752 GLU CG . 30020 1 309 . 1 1 31 31 GLU N N 15 121.4 0.15 . 1 . . . A 752 GLU N . 30020 1 310 . 1 1 32 32 PRO HA H 1 4.24 0.01 . 1 . . . A 753 PRO HA . 30020 1 311 . 1 1 32 32 PRO HB2 H 1 1.73 0.01 . 2 . . . A 753 PRO HB2 . 30020 1 312 . 1 1 32 32 PRO HB3 H 1 2.12 0.01 . 2 . . . A 753 PRO HB3 . 30020 1 313 . 1 1 32 32 PRO HG2 H 1 1.91 0.01 . 1 . . . A 753 PRO HG2 . 30020 1 314 . 1 1 32 32 PRO HG3 H 1 1.91 0.01 . 1 . . . A 753 PRO HG3 . 30020 1 315 . 1 1 32 32 PRO HD2 H 1 3.64 0.01 . 2 . . . A 753 PRO HD2 . 30020 1 316 . 1 1 32 32 PRO HD3 H 1 3.72 0.01 . 2 . . . A 753 PRO HD3 . 30020 1 317 . 1 1 32 32 PRO C C 13 177.1 0.04 . 1 . . . A 753 PRO C . 30020 1 318 . 1 1 32 32 PRO CA C 13 63.8 0.04 . 1 . . . A 753 PRO CA . 30020 1 319 . 1 1 32 32 PRO CB C 13 31.9 0.04 . 1 . . . A 753 PRO CB . 30020 1 320 . 1 1 32 32 PRO CG C 13 27.4 0.04 . 1 . . . A 753 PRO CG . 30020 1 321 . 1 1 32 32 PRO CD C 13 50.6 0.04 . 1 . . . A 753 PRO CD . 30020 1 322 . 1 1 33 33 GLU H H 1 8.44 0.01 . 1 . . . A 754 GLU H . 30020 1 323 . 1 1 33 33 GLU HA H 1 4.11 0.01 . 1 . . . A 754 GLU HA . 30020 1 324 . 1 1 33 33 GLU HB2 H 1 1.82 0.01 . 1 . . . A 754 GLU HB2 . 30020 1 325 . 1 1 33 33 GLU HB3 H 1 1.82 0.01 . 1 . . . A 754 GLU HB3 . 30020 1 326 . 1 1 33 33 GLU HG2 H 1 2.02 0.01 . 2 . . . A 754 GLU HG2 . 30020 1 327 . 1 1 33 33 GLU HG3 H 1 2.09 0.01 . 2 . . . A 754 GLU HG3 . 30020 1 328 . 1 1 33 33 GLU C C 13 176.3 0.04 . 1 . . . A 754 GLU C . 30020 1 329 . 1 1 33 33 GLU CA C 13 56.7 0.04 . 1 . . . A 754 GLU CA . 30020 1 330 . 1 1 33 33 GLU CB C 13 29.9 0.04 . 1 . . . A 754 GLU CB . 30020 1 331 . 1 1 33 33 GLU CG C 13 36.2 0.04 . 1 . . . A 754 GLU CG . 30020 1 332 . 1 1 33 33 GLU N N 15 119.4 0.15 . 1 . . . A 754 GLU N . 30020 1 333 . 1 1 34 34 PHE H H 1 7.99 0.01 . 1 . . . A 755 PHE H . 30020 1 334 . 1 1 34 34 PHE HA H 1 4.45 0.01 . 1 . . . A 755 PHE HA . 30020 1 335 . 1 1 34 34 PHE HB2 H 1 2.96 0.01 . 1 . . . A 755 PHE HB2 . 30020 1 336 . 1 1 34 34 PHE HB3 H 1 2.96 0.01 . 1 . . . A 755 PHE HB3 . 30020 1 337 . 1 1 34 34 PHE HD1 H 1 7.04 0.01 . 1 . . . A 755 PHE HD1 . 30020 1 338 . 1 1 34 34 PHE HD2 H 1 7.04 0.01 . 1 . . . A 755 PHE HD2 . 30020 1 339 . 1 1 34 34 PHE HE1 H 1 7.23 0.01 . 1 . . . A 755 PHE HE1 . 30020 1 340 . 1 1 34 34 PHE HE2 H 1 7.23 0.01 . 1 . . . A 755 PHE HE2 . 30020 1 341 . 1 1 34 34 PHE HZ H 1 7.19 0.01 . 1 . . . A 755 PHE HZ . 30020 1 342 . 1 1 34 34 PHE CA C 13 58.2 0.04 . 1 . . . A 755 PHE CA . 30020 1 343 . 1 1 34 34 PHE CB C 13 39.5 0.04 . 1 . . . A 755 PHE CB . 30020 1 344 . 1 1 34 34 PHE N N 15 120.1 0.15 . 1 . . . A 755 PHE N . 30020 1 345 . 1 1 35 35 HIS HA H 1 4.48 0.01 . 1 . . . A 756 HIS HA . 30020 1 346 . 1 1 35 35 HIS HB2 H 1 2.83 0.01 . 2 . . . A 756 HIS HB2 . 30020 1 347 . 1 1 35 35 HIS HB3 H 1 2.92 0.01 . 2 . . . A 756 HIS HB3 . 30020 1 348 . 1 1 35 35 HIS HD2 H 1 6.73 0.01 . 1 . . . A 756 HIS HD2 . 30020 1 349 . 1 1 35 35 HIS HE1 H 1 7.70 0.01 . 1 . . . A 756 HIS HE1 . 30020 1 350 . 1 1 35 35 HIS C C 13 174.6 0.04 . 1 . . . A 756 HIS C . 30020 1 351 . 1 1 35 35 HIS CA C 13 56.1 0.04 . 1 . . . A 756 HIS CA . 30020 1 352 . 1 1 35 35 HIS CB C 13 30.8 0.04 . 1 . . . A 756 HIS CB . 30020 1 353 . 1 1 36 36 THR H H 1 7.73 0.01 . 1 . . . A 757 THR H . 30020 1 354 . 1 1 36 36 THR HA H 1 4.35 0.01 . 1 . . . A 757 THR HA . 30020 1 355 . 1 1 36 36 THR HB H 1 4.07 0.01 . 1 . . . A 757 THR HB . 30020 1 356 . 1 1 36 36 THR HG21 H 1 1.18 0.01 . 1 . . . A 757 THR HG21 . 30020 1 357 . 1 1 36 36 THR HG22 H 1 1.18 0.01 . 1 . . . A 757 THR HG22 . 30020 1 358 . 1 1 36 36 THR HG23 H 1 1.18 0.01 . 1 . . . A 757 THR HG23 . 30020 1 359 . 1 1 36 36 THR C C 13 174.1 0.04 . 1 . . . A 757 THR C . 30020 1 360 . 1 1 36 36 THR CA C 13 61.4 0.04 . 1 . . . A 757 THR CA . 30020 1 361 . 1 1 36 36 THR CB C 13 70.7 0.04 . 1 . . . A 757 THR CB . 30020 1 362 . 1 1 36 36 THR CG2 C 13 21.9 0.04 . 1 . . . A 757 THR CG2 . 30020 1 363 . 1 1 36 36 THR N N 15 114.5 0.15 . 1 . . . A 757 THR N . 30020 1 364 . 1 1 37 37 ALA H H 1 8.79 0.01 . 1 . . . A 758 ALA H . 30020 1 365 . 1 1 37 37 ALA HA H 1 4.34 0.01 . 1 . . . A 758 ALA HA . 30020 1 366 . 1 1 37 37 ALA HB1 H 1 1.38 0.01 . 1 . . . A 758 ALA HB1 . 30020 1 367 . 1 1 37 37 ALA HB2 H 1 1.38 0.01 . 1 . . . A 758 ALA HB2 . 30020 1 368 . 1 1 37 37 ALA HB3 H 1 1.38 0.01 . 1 . . . A 758 ALA HB3 . 30020 1 369 . 1 1 37 37 ALA C C 13 176.5 0.04 . 1 . . . A 758 ALA C . 30020 1 370 . 1 1 37 37 ALA CA C 13 52.3 0.04 . 1 . . . A 758 ALA CA . 30020 1 371 . 1 1 37 37 ALA CB C 13 20.6 0.04 . 1 . . . A 758 ALA CB . 30020 1 372 . 1 1 37 37 ALA N N 15 128.3 0.15 . 1 . . . A 758 ALA N . 30020 1 373 . 1 1 38 38 LYS H H 1 8.33 0.01 . 1 . . . A 759 LYS H . 30020 1 374 . 1 1 38 38 LYS HA H 1 4.90 0.01 . 1 . . . A 759 LYS HA . 30020 1 375 . 1 1 38 38 LYS HB2 H 1 1.27 0.01 . 2 . . . A 759 LYS HB2 . 30020 1 376 . 1 1 38 38 LYS HB3 H 1 1.44 0.01 . 2 . . . A 759 LYS HB3 . 30020 1 377 . 1 1 38 38 LYS HG2 H 1 1.11 0.01 . 2 . . . A 759 LYS HG2 . 30020 1 378 . 1 1 38 38 LYS HG3 H 1 1.28 0.01 . 2 . . . A 759 LYS HG3 . 30020 1 379 . 1 1 38 38 LYS HD2 H 1 1.39 0.01 . 1 . . . A 759 LYS HD2 . 30020 1 380 . 1 1 38 38 LYS HD3 H 1 1.39 0.01 . 1 . . . A 759 LYS HD3 . 30020 1 381 . 1 1 38 38 LYS HE2 H 1 2.83 0.01 . 1 . . . A 759 LYS HE2 . 30020 1 382 . 1 1 38 38 LYS HE3 H 1 2.83 0.01 . 1 . . . A 759 LYS HE3 . 30020 1 383 . 1 1 38 38 LYS C C 13 175.2 0.04 . 1 . . . A 759 LYS C . 30020 1 384 . 1 1 38 38 LYS CA C 13 54.7 0.04 . 1 . . . A 759 LYS CA . 30020 1 385 . 1 1 38 38 LYS CB C 13 35.9 0.04 . 1 . . . A 759 LYS CB . 30020 1 386 . 1 1 38 38 LYS CG C 13 24.9 0.04 . 1 . . . A 759 LYS CG . 30020 1 387 . 1 1 38 38 LYS CD C 13 29.2 0.04 . 1 . . . A 759 LYS CD . 30020 1 388 . 1 1 38 38 LYS CE C 13 42.5 0.04 . 1 . . . A 759 LYS CE . 30020 1 389 . 1 1 38 38 LYS N N 15 118.1 0.15 . 1 . . . A 759 LYS N . 30020 1 390 . 1 1 39 39 VAL H H 1 8.70 0.01 . 1 . . . A 760 VAL H . 30020 1 391 . 1 1 39 39 VAL HA H 1 4.09 0.01 . 1 . . . A 760 VAL HA . 30020 1 392 . 1 1 39 39 VAL HB H 1 1.90 0.01 . 1 . . . A 760 VAL HB . 30020 1 393 . 1 1 39 39 VAL HG11 H 1 0.72 0.01 . 1 . . . A 760 VAL HG11 . 30020 1 394 . 1 1 39 39 VAL HG12 H 1 0.72 0.01 . 1 . . . A 760 VAL HG12 . 30020 1 395 . 1 1 39 39 VAL HG13 H 1 0.72 0.01 . 1 . . . A 760 VAL HG13 . 30020 1 396 . 1 1 39 39 VAL HG21 H 1 0.82 0.01 . 1 . . . A 760 VAL HG21 . 30020 1 397 . 1 1 39 39 VAL HG22 H 1 0.82 0.01 . 1 . . . A 760 VAL HG22 . 30020 1 398 . 1 1 39 39 VAL HG23 H 1 0.82 0.01 . 1 . . . A 760 VAL HG23 . 30020 1 399 . 1 1 39 39 VAL C C 13 173.8 0.04 . 1 . . . A 760 VAL C . 30020 1 400 . 1 1 39 39 VAL CA C 13 61.4 0.04 . 1 . . . A 760 VAL CA . 30020 1 401 . 1 1 39 39 VAL CB C 13 33.4 0.04 . 1 . . . A 760 VAL CB . 30020 1 402 . 1 1 39 39 VAL CG1 C 13 21.2 0.04 . 1 . . . A 760 VAL CG1 . 30020 1 403 . 1 1 39 39 VAL CG2 C 13 21.7 0.04 . 1 . . . A 760 VAL CG2 . 30020 1 404 . 1 1 39 39 VAL N N 15 120.1 0.15 . 1 . . . A 760 VAL N . 30020 1 405 . 1 1 40 40 HIS H H 1 8.57 0.01 . 1 . . . A 761 HIS H . 30020 1 406 . 1 1 40 40 HIS HA H 1 5.21 0.01 . 1 . . . A 761 HIS HA . 30020 1 407 . 1 1 40 40 HIS HB2 H 1 2.90 0.01 . 2 . . . A 761 HIS HB2 . 30020 1 408 . 1 1 40 40 HIS HB3 H 1 2.95 0.01 . 2 . . . A 761 HIS HB3 . 30020 1 409 . 1 1 40 40 HIS HD2 H 1 6.74 0.01 . 1 . . . A 761 HIS HD2 . 30020 1 410 . 1 1 40 40 HIS HE1 H 1 7.59 0.01 . 1 . . . A 761 HIS HE1 . 30020 1 411 . 1 1 40 40 HIS C C 13 174.7 0.04 . 1 . . . A 761 HIS C . 30020 1 412 . 1 1 40 40 HIS CA C 13 54.8 0.04 . 1 . . . A 761 HIS CA . 30020 1 413 . 1 1 40 40 HIS CB C 13 32.2 0.04 . 1 . . . A 761 HIS CB . 30020 1 414 . 1 1 40 40 HIS N N 15 126.3 0.15 . 1 . . . A 761 HIS N . 30020 1 415 . 1 1 41 41 LEU H H 1 8.48 0.01 . 1 . . . A 762 LEU H . 30020 1 416 . 1 1 41 41 LEU HA H 1 4.61 0.01 . 1 . . . A 762 LEU HA . 30020 1 417 . 1 1 41 41 LEU HB2 H 1 1.12 0.01 . 2 . . . A 762 LEU HB2 . 30020 1 418 . 1 1 41 41 LEU HB3 H 1 1.75 0.01 . 2 . . . A 762 LEU HB3 . 30020 1 419 . 1 1 41 41 LEU HG H 1 1.36 0.01 . 1 . . . A 762 LEU HG . 30020 1 420 . 1 1 41 41 LEU HD11 H 1 0.70 0.01 . 1 . . . A 762 LEU HD11 . 30020 1 421 . 1 1 41 41 LEU HD12 H 1 0.70 0.01 . 1 . . . A 762 LEU HD12 . 30020 1 422 . 1 1 41 41 LEU HD13 H 1 0.70 0.01 . 1 . . . A 762 LEU HD13 . 30020 1 423 . 1 1 41 41 LEU HD21 H 1 0.69 0.01 . 1 . . . A 762 LEU HD21 . 30020 1 424 . 1 1 41 41 LEU HD22 H 1 0.69 0.01 . 1 . . . A 762 LEU HD22 . 30020 1 425 . 1 1 41 41 LEU HD23 H 1 0.69 0.01 . 1 . . . A 762 LEU HD23 . 30020 1 426 . 1 1 41 41 LEU C C 13 175.0 0.04 . 1 . . . A 762 LEU C . 30020 1 427 . 1 1 41 41 LEU CA C 13 53.5 0.04 . 1 . . . A 762 LEU CA . 30020 1 428 . 1 1 41 41 LEU CB C 13 45.1 0.04 . 1 . . . A 762 LEU CB . 30020 1 429 . 1 1 41 41 LEU CG C 13 26.6 0.04 . 1 . . . A 762 LEU CG . 30020 1 430 . 1 1 41 41 LEU CD1 C 13 25.8 0.04 . 1 . . . A 762 LEU CD1 . 30020 1 431 . 1 1 41 41 LEU CD2 C 13 24.0 0.04 . 1 . . . A 762 LEU CD2 . 30020 1 432 . 1 1 41 41 LEU N N 15 123.9 0.15 . 1 . . . A 762 LEU N . 30020 1 433 . 1 1 42 42 LYS H H 1 8.15 0.01 . 1 . . . A 763 LYS H . 30020 1 434 . 1 1 42 42 LYS HA H 1 4.98 0.01 . 1 . . . A 763 LYS HA . 30020 1 435 . 1 1 42 42 LYS HB2 H 1 1.67 0.01 . 2 . . . A 763 LYS HB2 . 30020 1 436 . 1 1 42 42 LYS HB3 H 1 1.73 0.01 . 2 . . . A 763 LYS HB3 . 30020 1 437 . 1 1 42 42 LYS HG2 H 1 1.26 0.01 . 2 . . . A 763 LYS HG2 . 30020 1 438 . 1 1 42 42 LYS HG3 H 1 1.37 0.01 . 2 . . . A 763 LYS HG3 . 30020 1 439 . 1 1 42 42 LYS HD2 H 1 1.54 0.01 . 2 . . . A 763 LYS HD2 . 30020 1 440 . 1 1 42 42 LYS HD3 H 1 1.61 0.01 . 2 . . . A 763 LYS HD3 . 30020 1 441 . 1 1 42 42 LYS HE2 H 1 2.87 0.01 . 1 . . . A 763 LYS HE2 . 30020 1 442 . 1 1 42 42 LYS HE3 H 1 2.87 0.01 . 1 . . . A 763 LYS HE3 . 30020 1 443 . 1 1 42 42 LYS C C 13 175.0 0.04 . 1 . . . A 763 LYS C . 30020 1 444 . 1 1 42 42 LYS CA C 13 55.4 0.04 . 1 . . . A 763 LYS CA . 30020 1 445 . 1 1 42 42 LYS CB C 13 35.5 0.04 . 1 . . . A 763 LYS CB . 30020 1 446 . 1 1 42 42 LYS CG C 13 24.2 0.04 . 1 . . . A 763 LYS CG . 30020 1 447 . 1 1 42 42 LYS CD C 13 29.7 0.04 . 1 . . . A 763 LYS CD . 30020 1 448 . 1 1 42 42 LYS CE C 13 42.0 0.04 . 1 . . . A 763 LYS CE . 30020 1 449 . 1 1 42 42 LYS N N 15 121.5 0.15 . 1 . . . A 763 LYS N . 30020 1 450 . 1 1 43 43 CYS H H 1 8.53 0.01 . 1 . . . A 764 CYS H . 30020 1 451 . 1 1 43 43 CYS HA H 1 4.82 0.01 . 1 . . . A 764 CYS HA . 30020 1 452 . 1 1 43 43 CYS HB2 H 1 2.68 0.01 . 2 . . . A 764 CYS HB2 . 30020 1 453 . 1 1 43 43 CYS HB3 H 1 3.28 0.01 . 2 . . . A 764 CYS HB3 . 30020 1 454 . 1 1 43 43 CYS C C 13 173.7 0.04 . 1 . . . A 764 CYS C . 30020 1 455 . 1 1 43 43 CYS CA C 13 52.9 0.04 . 1 . . . A 764 CYS CA . 30020 1 456 . 1 1 43 43 CYS CB C 13 40.7 0.04 . 1 . . . A 764 CYS CB . 30020 1 457 . 1 1 43 43 CYS N N 15 122.0 0.15 . 1 . . . A 764 CYS N . 30020 1 458 . 1 1 44 44 ALA H H 1 7.99 0.01 . 1 . . . A 765 ALA H . 30020 1 459 . 1 1 44 44 ALA HA H 1 4.45 0.01 . 1 . . . A 765 ALA HA . 30020 1 460 . 1 1 44 44 ALA HB1 H 1 1.22 0.01 . 1 . . . A 765 ALA HB1 . 30020 1 461 . 1 1 44 44 ALA HB2 H 1 1.22 0.01 . 1 . . . A 765 ALA HB2 . 30020 1 462 . 1 1 44 44 ALA HB3 H 1 1.22 0.01 . 1 . . . A 765 ALA HB3 . 30020 1 463 . 1 1 44 44 ALA CA C 13 51.0 0.04 . 1 . . . A 765 ALA CA . 30020 1 464 . 1 1 44 44 ALA CB C 13 17.1 0.04 . 1 . . . A 765 ALA CB . 30020 1 465 . 1 1 44 44 ALA N N 15 123.3 0.15 . 1 . . . A 765 ALA N . 30020 1 466 . 1 1 45 45 PRO HA H 1 4.26 0.01 . 1 . . . A 766 PRO HA . 30020 1 467 . 1 1 45 45 PRO HB2 H 1 2.28 0.01 . 1 . . . A 766 PRO HB2 . 30020 1 468 . 1 1 45 45 PRO HB3 H 1 2.28 0.01 . 1 . . . A 766 PRO HB3 . 30020 1 469 . 1 1 45 45 PRO HG2 H 1 1.98 0.01 . 2 . . . A 766 PRO HG2 . 30020 1 470 . 1 1 45 45 PRO HG3 H 1 2.10 0.01 . 2 . . . A 766 PRO HG3 . 30020 1 471 . 1 1 45 45 PRO HD2 H 1 3.51 0.01 . 2 . . . A 766 PRO HD2 . 30020 1 472 . 1 1 45 45 PRO HD3 H 1 3.78 0.01 . 2 . . . A 766 PRO HD3 . 30020 1 473 . 1 1 45 45 PRO C C 13 178.2 0.04 . 1 . . . A 766 PRO C . 30020 1 474 . 1 1 45 45 PRO CA C 13 64.2 0.04 . 1 . . . A 766 PRO CA . 30020 1 475 . 1 1 45 45 PRO CB C 13 31.5 0.04 . 1 . . . A 766 PRO CB . 30020 1 476 . 1 1 45 45 PRO CG C 13 27.9 0.04 . 1 . . . A 766 PRO CG . 30020 1 477 . 1 1 45 45 PRO CD C 13 50.0 0.04 . 1 . . . A 766 PRO CD . 30020 1 478 . 1 1 46 46 GLY H H 1 8.55 0.01 . 1 . . . A 767 GLY H . 30020 1 479 . 1 1 46 46 GLY HA2 H 1 3.65 0.01 . 2 . . . A 767 GLY HA2 . 30020 1 480 . 1 1 46 46 GLY HA3 H 1 4.29 0.01 . 2 . . . A 767 GLY HA3 . 30020 1 481 . 1 1 46 46 GLY C C 13 174.2 0.04 . 1 . . . A 767 GLY C . 30020 1 482 . 1 1 46 46 GLY CA C 13 45.2 0.04 . 1 . . . A 767 GLY CA . 30020 1 483 . 1 1 46 46 GLY N N 15 112.9 0.15 . 1 . . . A 767 GLY N . 30020 1 484 . 1 1 47 47 GLN H H 1 8.23 0.01 . 1 . . . A 768 GLN H . 30020 1 485 . 1 1 47 47 GLN HA H 1 4.89 0.01 . 1 . . . A 768 GLN HA . 30020 1 486 . 1 1 47 47 GLN HB2 H 1 1.79 0.01 . 2 . . . A 768 GLN HB2 . 30020 1 487 . 1 1 47 47 GLN HB3 H 1 2.37 0.01 . 2 . . . A 768 GLN HB3 . 30020 1 488 . 1 1 47 47 GLN HG2 H 1 1.94 0.01 . 2 . . . A 768 GLN HG2 . 30020 1 489 . 1 1 47 47 GLN HG3 H 1 2.14 0.01 . 2 . . . A 768 GLN HG3 . 30020 1 490 . 1 1 47 47 GLN HE21 H 1 6.58 0.01 . 2 . . . A 768 GLN HE21 . 30020 1 491 . 1 1 47 47 GLN HE22 H 1 7.22 0.01 . 2 . . . A 768 GLN HE22 . 30020 1 492 . 1 1 47 47 GLN C C 13 175.5 0.04 . 1 . . . A 768 GLN C . 30020 1 493 . 1 1 47 47 GLN CA C 13 54.1 0.04 . 1 . . . A 768 GLN CA . 30020 1 494 . 1 1 47 47 GLN CB C 13 32.1 0.04 . 1 . . . A 768 GLN CB . 30020 1 495 . 1 1 47 47 GLN CG C 13 33.7 0.04 . 1 . . . A 768 GLN CG . 30020 1 496 . 1 1 47 47 GLN CD C 13 179.1 0.04 . 1 . . . A 768 GLN CD . 30020 1 497 . 1 1 47 47 GLN N N 15 119.4 0.15 . 1 . . . A 768 GLN N . 30020 1 498 . 1 1 47 47 GLN NE2 N 15 110.7 0.15 . 1 . . . A 768 GLN NE2 . 30020 1 499 . 1 1 48 48 THR H H 1 8.60 0.01 . 1 . . . A 769 THR H . 30020 1 500 . 1 1 48 48 THR HA H 1 4.44 0.01 . 1 . . . A 769 THR HA . 30020 1 501 . 1 1 48 48 THR HB H 1 3.55 0.01 . 1 . . . A 769 THR HB . 30020 1 502 . 1 1 48 48 THR HG21 H 1 0.93 0.01 . 1 . . . A 769 THR HG21 . 30020 1 503 . 1 1 48 48 THR HG22 H 1 0.93 0.01 . 1 . . . A 769 THR HG22 . 30020 1 504 . 1 1 48 48 THR HG23 H 1 0.93 0.01 . 1 . . . A 769 THR HG23 . 30020 1 505 . 1 1 48 48 THR C C 13 173.9 0.04 . 1 . . . A 769 THR C . 30020 1 506 . 1 1 48 48 THR CA C 13 59.6 0.04 . 1 . . . A 769 THR CA . 30020 1 507 . 1 1 48 48 THR CB C 13 72.9 0.04 . 1 . . . A 769 THR CB . 30020 1 508 . 1 1 48 48 THR CG2 C 13 22.6 0.04 . 1 . . . A 769 THR CG2 . 30020 1 509 . 1 1 48 48 THR N N 15 108.0 0.15 . 1 . . . A 769 THR N . 30020 1 510 . 1 1 49 49 ILE H H 1 8.65 0.01 . 1 . . . A 770 ILE H . 30020 1 511 . 1 1 49 49 ILE HA H 1 4.46 0.01 . 1 . . . A 770 ILE HA . 30020 1 512 . 1 1 49 49 ILE HB H 1 2.19 0.01 . 1 . . . A 770 ILE HB . 30020 1 513 . 1 1 49 49 ILE HG12 H 1 0.72 0.01 . 2 . . . A 770 ILE HG12 . 30020 1 514 . 1 1 49 49 ILE HG13 H 1 2.01 0.01 . 2 . . . A 770 ILE HG13 . 30020 1 515 . 1 1 49 49 ILE HG21 H 1 0.65 0.01 . 1 . . . A 770 ILE HG21 . 30020 1 516 . 1 1 49 49 ILE HG22 H 1 0.65 0.01 . 1 . . . A 770 ILE HG22 . 30020 1 517 . 1 1 49 49 ILE HG23 H 1 0.65 0.01 . 1 . . . A 770 ILE HG23 . 30020 1 518 . 1 1 49 49 ILE HD11 H 1 0.64 0.01 . 1 . . . A 770 ILE HD11 . 30020 1 519 . 1 1 49 49 ILE HD12 H 1 0.64 0.01 . 1 . . . A 770 ILE HD12 . 30020 1 520 . 1 1 49 49 ILE HD13 H 1 0.64 0.01 . 1 . . . A 770 ILE HD13 . 30020 1 521 . 1 1 49 49 ILE C C 13 176.8 0.04 . 1 . . . A 770 ILE C . 30020 1 522 . 1 1 49 49 ILE CA C 13 62.4 0.04 . 1 . . . A 770 ILE CA . 30020 1 523 . 1 1 49 49 ILE CB C 13 36.9 0.04 . 1 . . . A 770 ILE CB . 30020 1 524 . 1 1 49 49 ILE CG1 C 13 29.9 0.04 . 1 . . . A 770 ILE CG1 . 30020 1 525 . 1 1 49 49 ILE CG2 C 13 17.5 0.04 . 1 . . . A 770 ILE CG2 . 30020 1 526 . 1 1 49 49 ILE CD1 C 13 15.0 0.04 . 1 . . . A 770 ILE CD1 . 30020 1 527 . 1 1 49 49 ILE N N 15 122.8 0.15 . 1 . . . A 770 ILE N . 30020 1 528 . 1 1 50 50 SER H H 1 9.50 0.01 . 1 . . . A 771 SER H . 30020 1 529 . 1 1 50 50 SER HA H 1 4.67 0.01 . 1 . . . A 771 SER HA . 30020 1 530 . 1 1 50 50 SER HB2 H 1 3.67 0.01 . 2 . . . A 771 SER HB2 . 30020 1 531 . 1 1 50 50 SER HB3 H 1 3.91 0.01 . 2 . . . A 771 SER HB3 . 30020 1 532 . 1 1 50 50 SER C C 13 174.8 0.04 . 1 . . . A 771 SER C . 30020 1 533 . 1 1 50 50 SER CA C 13 57.8 0.04 . 1 . . . A 771 SER CA . 30020 1 534 . 1 1 50 50 SER CB C 13 64.9 0.04 . 1 . . . A 771 SER CB . 30020 1 535 . 1 1 50 50 SER N N 15 124.9 0.15 . 1 . . . A 771 SER N . 30020 1 536 . 1 1 51 51 ALA H H 1 7.65 0.01 . 1 . . . A 772 ALA H . 30020 1 537 . 1 1 51 51 ALA HA H 1 4.38 0.01 . 1 . . . A 772 ALA HA . 30020 1 538 . 1 1 51 51 ALA HB1 H 1 1.28 0.01 . 1 . . . A 772 ALA HB1 . 30020 1 539 . 1 1 51 51 ALA HB2 H 1 1.28 0.01 . 1 . . . A 772 ALA HB2 . 30020 1 540 . 1 1 51 51 ALA HB3 H 1 1.28 0.01 . 1 . . . A 772 ALA HB3 . 30020 1 541 . 1 1 51 51 ALA C C 13 174.9 0.04 . 1 . . . A 772 ALA C . 30020 1 542 . 1 1 51 51 ALA CA C 13 52.3 0.04 . 1 . . . A 772 ALA CA . 30020 1 543 . 1 1 51 51 ALA CB C 13 21.6 0.04 . 1 . . . A 772 ALA CB . 30020 1 544 . 1 1 51 51 ALA N N 15 121.7 0.15 . 1 . . . A 772 ALA N . 30020 1 545 . 1 1 52 52 ILE H H 1 9.28 0.01 . 1 . . . A 773 ILE H . 30020 1 546 . 1 1 52 52 ILE HA H 1 4.38 0.01 . 1 . . . A 773 ILE HA . 30020 1 547 . 1 1 52 52 ILE HB H 1 2.22 0.01 . 1 . . . A 773 ILE HB . 30020 1 548 . 1 1 52 52 ILE HG12 H 1 1.03 0.01 . 2 . . . A 773 ILE HG12 . 30020 1 549 . 1 1 52 52 ILE HG13 H 1 1.46 0.01 . 2 . . . A 773 ILE HG13 . 30020 1 550 . 1 1 52 52 ILE HG21 H 1 0.75 0.01 . 1 . . . A 773 ILE HG21 . 30020 1 551 . 1 1 52 52 ILE HG22 H 1 0.75 0.01 . 1 . . . A 773 ILE HG22 . 30020 1 552 . 1 1 52 52 ILE HG23 H 1 0.75 0.01 . 1 . . . A 773 ILE HG23 . 30020 1 553 . 1 1 52 52 ILE HD11 H 1 0.51 0.01 . 1 . . . A 773 ILE HD11 . 30020 1 554 . 1 1 52 52 ILE HD12 H 1 0.51 0.01 . 1 . . . A 773 ILE HD12 . 30020 1 555 . 1 1 52 52 ILE HD13 H 1 0.51 0.01 . 1 . . . A 773 ILE HD13 . 30020 1 556 . 1 1 52 52 ILE C C 13 175.2 0.04 . 1 . . . A 773 ILE C . 30020 1 557 . 1 1 52 52 ILE CA C 13 57.9 0.04 . 1 . . . A 773 ILE CA . 30020 1 558 . 1 1 52 52 ILE CB C 13 35.5 0.04 . 1 . . . A 773 ILE CB . 30020 1 559 . 1 1 52 52 ILE CG1 C 13 26.1 0.04 . 1 . . . A 773 ILE CG1 . 30020 1 560 . 1 1 52 52 ILE CG2 C 13 17.9 0.04 . 1 . . . A 773 ILE CG2 . 30020 1 561 . 1 1 52 52 ILE CD1 C 13 8.6 0.04 . 1 . . . A 773 ILE CD1 . 30020 1 562 . 1 1 52 52 ILE N N 15 122.0 0.15 . 1 . . . A 773 ILE N . 30020 1 563 . 1 1 53 53 LYS H H 1 8.58 0.01 . 1 . . . A 774 LYS H . 30020 1 564 . 1 1 53 53 LYS HA H 1 4.25 0.01 . 1 . . . A 774 LYS HA . 30020 1 565 . 1 1 53 53 LYS HB2 H 1 1.66 0.01 . 1 . . . A 774 LYS HB2 . 30020 1 566 . 1 1 53 53 LYS HB3 H 1 1.66 0.01 . 1 . . . A 774 LYS HB3 . 30020 1 567 . 1 1 53 53 LYS HG2 H 1 1.34 0.01 . 2 . . . A 774 LYS HG2 . 30020 1 568 . 1 1 53 53 LYS HG3 H 1 1.44 0.01 . 2 . . . A 774 LYS HG3 . 30020 1 569 . 1 1 53 53 LYS HD2 H 1 1.58 0.01 . 1 . . . A 774 LYS HD2 . 30020 1 570 . 1 1 53 53 LYS HD3 H 1 1.58 0.01 . 1 . . . A 774 LYS HD3 . 30020 1 571 . 1 1 53 53 LYS HE2 H 1 2.94 0.01 . 1 . . . A 774 LYS HE2 . 30020 1 572 . 1 1 53 53 LYS HE3 H 1 2.94 0.01 . 1 . . . A 774 LYS HE3 . 30020 1 573 . 1 1 53 53 LYS C C 13 176.4 0.04 . 1 . . . A 774 LYS C . 30020 1 574 . 1 1 53 53 LYS CA C 13 57.7 0.04 . 1 . . . A 774 LYS CA . 30020 1 575 . 1 1 53 53 LYS CB C 13 33.6 0.04 . 1 . . . A 774 LYS CB . 30020 1 576 . 1 1 53 53 LYS CG C 13 24.8 0.04 . 1 . . . A 774 LYS CG . 30020 1 577 . 1 1 53 53 LYS CD C 13 29.0 0.04 . 1 . . . A 774 LYS CD . 30020 1 578 . 1 1 53 53 LYS CE C 13 41.9 0.04 . 1 . . . A 774 LYS CE . 30020 1 579 . 1 1 53 53 LYS N N 15 129.0 0.15 . 1 . . . A 774 LYS N . 30020 1 580 . 1 1 54 54 PHE H H 1 8.17 0.01 . 1 . . . A 775 PHE H . 30020 1 581 . 1 1 54 54 PHE HA H 1 4.57 0.01 . 1 . . . A 775 PHE HA . 30020 1 582 . 1 1 54 54 PHE HB2 H 1 2.72 0.01 . 2 . . . A 775 PHE HB2 . 30020 1 583 . 1 1 54 54 PHE HB3 H 1 3.30 0.01 . 2 . . . A 775 PHE HB3 . 30020 1 584 . 1 1 54 54 PHE HD1 H 1 6.88 0.01 . 1 . . . A 775 PHE HD1 . 30020 1 585 . 1 1 54 54 PHE HD2 H 1 6.88 0.01 . 1 . . . A 775 PHE HD2 . 30020 1 586 . 1 1 54 54 PHE HE1 H 1 6.87 0.01 . 1 . . . A 775 PHE HE1 . 30020 1 587 . 1 1 54 54 PHE HE2 H 1 6.87 0.01 . 1 . . . A 775 PHE HE2 . 30020 1 588 . 1 1 54 54 PHE HZ H 1 6.61 0.01 . 1 . . . A 775 PHE HZ . 30020 1 589 . 1 1 54 54 PHE C C 13 173.2 0.04 . 1 . . . A 775 PHE C . 30020 1 590 . 1 1 54 54 PHE CA C 13 58.0 0.04 . 1 . . . A 775 PHE CA . 30020 1 591 . 1 1 54 54 PHE CB C 13 43.5 0.04 . 1 . . . A 775 PHE CB . 30020 1 592 . 1 1 54 54 PHE N N 15 117.9 0.15 . 1 . . . A 775 PHE N . 30020 1 593 . 1 1 55 55 ALA H H 1 7.41 0.01 . 1 . . . A 776 ALA H . 30020 1 594 . 1 1 55 55 ALA HA H 1 4.94 0.01 . 1 . . . A 776 ALA HA . 30020 1 595 . 1 1 55 55 ALA HB1 H 1 0.98 0.01 . 1 . . . A 776 ALA HB1 . 30020 1 596 . 1 1 55 55 ALA HB2 H 1 0.98 0.01 . 1 . . . A 776 ALA HB2 . 30020 1 597 . 1 1 55 55 ALA HB3 H 1 0.98 0.01 . 1 . . . A 776 ALA HB3 . 30020 1 598 . 1 1 55 55 ALA C C 13 175.4 0.04 . 1 . . . A 776 ALA C . 30020 1 599 . 1 1 55 55 ALA CA C 13 51.4 0.04 . 1 . . . A 776 ALA CA . 30020 1 600 . 1 1 55 55 ALA CB C 13 22.2 0.04 . 1 . . . A 776 ALA CB . 30020 1 601 . 1 1 55 55 ALA N N 15 127.7 0.15 . 1 . . . A 776 ALA N . 30020 1 602 . 1 1 56 56 SER H H 1 8.34 0.01 . 1 . . . A 777 SER H . 30020 1 603 . 1 1 56 56 SER HA H 1 4.39 0.01 . 1 . . . A 777 SER HA . 30020 1 604 . 1 1 56 56 SER HB2 H 1 3.38 0.01 . 2 . . . A 777 SER HB2 . 30020 1 605 . 1 1 56 56 SER HB3 H 1 3.81 0.01 . 2 . . . A 777 SER HB3 . 30020 1 606 . 1 1 56 56 SER C C 13 173.2 0.04 . 1 . . . A 777 SER C . 30020 1 607 . 1 1 56 56 SER CA C 13 59.0 0.04 . 1 . . . A 777 SER CA . 30020 1 608 . 1 1 56 56 SER CB C 13 65.1 0.04 . 1 . . . A 777 SER CB . 30020 1 609 . 1 1 56 56 SER N N 15 112.1 0.15 . 1 . . . A 777 SER N . 30020 1 610 . 1 1 57 57 PHE H H 1 8.09 0.01 . 1 . . . A 778 PHE H . 30020 1 611 . 1 1 57 57 PHE HA H 1 5.45 0.01 . 1 . . . A 778 PHE HA . 30020 1 612 . 1 1 57 57 PHE HB2 H 1 1.75 0.01 . 2 . . . A 778 PHE HB2 . 30020 1 613 . 1 1 57 57 PHE HB3 H 1 2.28 0.01 . 2 . . . A 778 PHE HB3 . 30020 1 614 . 1 1 57 57 PHE HD1 H 1 6.66 0.01 . 1 . . . A 778 PHE HD1 . 30020 1 615 . 1 1 57 57 PHE HD2 H 1 6.66 0.01 . 1 . . . A 778 PHE HD2 . 30020 1 616 . 1 1 57 57 PHE HE1 H 1 6.89 0.01 . 1 . . . A 778 PHE HE1 . 30020 1 617 . 1 1 57 57 PHE HE2 H 1 6.89 0.01 . 1 . . . A 778 PHE HE2 . 30020 1 618 . 1 1 57 57 PHE HZ H 1 6.78 0.01 . 1 . . . A 778 PHE HZ . 30020 1 619 . 1 1 57 57 PHE C C 13 174.1 0.04 . 1 . . . A 778 PHE C . 30020 1 620 . 1 1 57 57 PHE CA C 13 53.2 0.04 . 1 . . . A 778 PHE CA . 30020 1 621 . 1 1 57 57 PHE CB C 13 38.9 0.04 . 1 . . . A 778 PHE CB . 30020 1 622 . 1 1 57 57 PHE N N 15 128.0 0.15 . 1 . . . A 778 PHE N . 30020 1 623 . 1 1 58 58 GLY H H 1 8.56 0.01 . 1 . . . A 779 GLY H . 30020 1 624 . 1 1 58 58 GLY HA2 H 1 3.10 0.01 . 2 . . . A 779 GLY HA2 . 30020 1 625 . 1 1 58 58 GLY HA3 H 1 4.11 0.01 . 2 . . . A 779 GLY HA3 . 30020 1 626 . 1 1 58 58 GLY C C 13 171.3 0.04 . 1 . . . A 779 GLY C . 30020 1 627 . 1 1 58 58 GLY CA C 13 46.8 0.04 . 1 . . . A 779 GLY CA . 30020 1 628 . 1 1 58 58 GLY N N 15 113.5 0.15 . 1 . . . A 779 GLY N . 30020 1 629 . 1 1 59 59 THR H H 1 8.52 0.01 . 1 . . . A 780 THR H . 30020 1 630 . 1 1 59 59 THR HA H 1 4.96 0.01 . 1 . . . A 780 THR HA . 30020 1 631 . 1 1 59 59 THR HB H 1 4.53 0.01 . 1 . . . A 780 THR HB . 30020 1 632 . 1 1 59 59 THR HG1 H 1 5.14 0.01 . 1 . . . A 780 THR HG1 . 30020 1 633 . 1 1 59 59 THR HG21 H 1 1.10 0.01 . 1 . . . A 780 THR HG21 . 30020 1 634 . 1 1 59 59 THR HG22 H 1 1.10 0.01 . 1 . . . A 780 THR HG22 . 30020 1 635 . 1 1 59 59 THR HG23 H 1 1.10 0.01 . 1 . . . A 780 THR HG23 . 30020 1 636 . 1 1 59 59 THR CA C 13 56.9 0.04 . 1 . . . A 780 THR CA . 30020 1 637 . 1 1 59 59 THR CB C 13 69.9 0.04 . 1 . . . A 780 THR CB . 30020 1 638 . 1 1 59 59 THR CG2 C 13 21.5 0.04 . 1 . . . A 780 THR CG2 . 30020 1 639 . 1 1 59 59 THR N N 15 113.0 0.15 . 1 . . . A 780 THR N . 30020 1 640 . 1 1 60 60 PRO HA H 1 4.74 0.01 . 1 . . . A 781 PRO HA . 30020 1 641 . 1 1 60 60 PRO HB2 H 1 1.90 0.01 . 2 . . . A 781 PRO HB2 . 30020 1 642 . 1 1 60 60 PRO HB3 H 1 2.15 0.01 . 2 . . . A 781 PRO HB3 . 30020 1 643 . 1 1 60 60 PRO HG2 H 1 1.72 0.01 . 2 . . . A 781 PRO HG2 . 30020 1 644 . 1 1 60 60 PRO HG3 H 1 1.86 0.01 . 2 . . . A 781 PRO HG3 . 30020 1 645 . 1 1 60 60 PRO HD2 H 1 3.13 0.01 . 2 . . . A 781 PRO HD2 . 30020 1 646 . 1 1 60 60 PRO HD3 H 1 3.49 0.01 . 2 . . . A 781 PRO HD3 . 30020 1 647 . 1 1 60 60 PRO C C 13 175.6 0.04 . 1 . . . A 781 PRO C . 30020 1 648 . 1 1 60 60 PRO CA C 13 63.3 0.04 . 1 . . . A 781 PRO CA . 30020 1 649 . 1 1 60 60 PRO CB C 13 32.5 0.04 . 1 . . . A 781 PRO CB . 30020 1 650 . 1 1 60 60 PRO CG C 13 27.4 0.04 . 1 . . . A 781 PRO CG . 30020 1 651 . 1 1 60 60 PRO CD C 13 50.6 0.04 . 1 . . . A 781 PRO CD . 30020 1 652 . 1 1 61 61 LEU H H 1 8.75 0.01 . 1 . . . A 782 LEU H . 30020 1 653 . 1 1 61 61 LEU HA H 1 4.72 0.01 . 1 . . . A 782 LEU HA . 30020 1 654 . 1 1 61 61 LEU HB2 H 1 1.48 0.01 . 2 . . . A 782 LEU HB2 . 30020 1 655 . 1 1 61 61 LEU HB3 H 1 1.60 0.01 . 2 . . . A 782 LEU HB3 . 30020 1 656 . 1 1 61 61 LEU HG H 1 1.57 0.01 . 1 . . . A 782 LEU HG . 30020 1 657 . 1 1 61 61 LEU HD11 H 1 0.88 0.01 . 1 . . . A 782 LEU HD11 . 30020 1 658 . 1 1 61 61 LEU HD12 H 1 0.88 0.01 . 1 . . . A 782 LEU HD12 . 30020 1 659 . 1 1 61 61 LEU HD13 H 1 0.88 0.01 . 1 . . . A 782 LEU HD13 . 30020 1 660 . 1 1 61 61 LEU HD21 H 1 0.90 0.01 . 1 . . . A 782 LEU HD21 . 30020 1 661 . 1 1 61 61 LEU HD22 H 1 0.90 0.01 . 1 . . . A 782 LEU HD22 . 30020 1 662 . 1 1 61 61 LEU HD23 H 1 0.90 0.01 . 1 . . . A 782 LEU HD23 . 30020 1 663 . 1 1 61 61 LEU C C 13 177.3 0.04 . 1 . . . A 782 LEU C . 30020 1 664 . 1 1 61 61 LEU CA C 13 53.6 0.04 . 1 . . . A 782 LEU CA . 30020 1 665 . 1 1 61 61 LEU CB C 13 44.9 0.04 . 1 . . . A 782 LEU CB . 30020 1 666 . 1 1 61 61 LEU CG C 13 27.4 0.04 . 1 . . . A 782 LEU CG . 30020 1 667 . 1 1 61 61 LEU CD1 C 13 25.4 0.04 . 1 . . . A 782 LEU CD1 . 30020 1 668 . 1 1 61 61 LEU CD2 C 13 23.6 0.04 . 1 . . . A 782 LEU CD2 . 30020 1 669 . 1 1 61 61 LEU N N 15 120.9 0.15 . 1 . . . A 782 LEU N . 30020 1 670 . 1 1 62 62 GLY H H 1 8.42 0.01 . 1 . . . A 783 GLY H . 30020 1 671 . 1 1 62 62 GLY HA2 H 1 3.63 0.01 . 2 . . . A 783 GLY HA2 . 30020 1 672 . 1 1 62 62 GLY HA3 H 1 4.23 0.01 . 2 . . . A 783 GLY HA3 . 30020 1 673 . 1 1 62 62 GLY C C 13 173.4 0.04 . 1 . . . A 783 GLY C . 30020 1 674 . 1 1 62 62 GLY CA C 13 44.6 0.04 . 1 . . . A 783 GLY CA . 30020 1 675 . 1 1 62 62 GLY N N 15 105.4 0.15 . 1 . . . A 783 GLY N . 30020 1 676 . 1 1 63 63 THR H H 1 6.83 0.01 . 1 . . . A 784 THR H . 30020 1 677 . 1 1 63 63 THR HA H 1 4.29 0.01 . 1 . . . A 784 THR HA . 30020 1 678 . 1 1 63 63 THR HB H 1 4.04 0.01 . 1 . . . A 784 THR HB . 30020 1 679 . 1 1 63 63 THR HG21 H 1 0.96 0.01 . 1 . . . A 784 THR HG21 . 30020 1 680 . 1 1 63 63 THR HG22 H 1 0.96 0.01 . 1 . . . A 784 THR HG22 . 30020 1 681 . 1 1 63 63 THR HG23 H 1 0.96 0.01 . 1 . . . A 784 THR HG23 . 30020 1 682 . 1 1 63 63 THR C C 13 171.7 0.04 . 1 . . . A 784 THR C . 30020 1 683 . 1 1 63 63 THR CA C 13 58.9 0.04 . 1 . . . A 784 THR CA . 30020 1 684 . 1 1 63 63 THR CB C 13 71.2 0.04 . 1 . . . A 784 THR CB . 30020 1 685 . 1 1 63 63 THR CG2 C 13 20.6 0.04 . 1 . . . A 784 THR CG2 . 30020 1 686 . 1 1 63 63 THR N N 15 109.2 0.15 . 1 . . . A 784 THR N . 30020 1 687 . 1 1 64 64 CYS H H 1 7.96 0.01 . 1 . . . A 785 CYS H . 30020 1 688 . 1 1 64 64 CYS HA H 1 3.47 0.01 . 1 . . . A 785 CYS HA . 30020 1 689 . 1 1 64 64 CYS HB2 H 1 2.78 0.01 . 2 . . . A 785 CYS HB2 . 30020 1 690 . 1 1 64 64 CYS HB3 H 1 2.93 0.01 . 2 . . . A 785 CYS HB3 . 30020 1 691 . 1 1 64 64 CYS C C 13 175.3 0.04 . 1 . . . A 785 CYS C . 30020 1 692 . 1 1 64 64 CYS CA C 13 57.2 0.04 . 1 . . . A 785 CYS CA . 30020 1 693 . 1 1 64 64 CYS CB C 13 37.9 0.04 . 1 . . . A 785 CYS CB . 30020 1 694 . 1 1 64 64 CYS N N 15 117.3 0.15 . 1 . . . A 785 CYS N . 30020 1 695 . 1 1 65 65 GLY H H 1 7.69 0.01 . 1 . . . A 786 GLY H . 30020 1 696 . 1 1 65 65 GLY HA2 H 1 3.77 0.01 . 2 . . . A 786 GLY HA2 . 30020 1 697 . 1 1 65 65 GLY HA3 H 1 4.34 0.01 . 2 . . . A 786 GLY HA3 . 30020 1 698 . 1 1 65 65 GLY C C 13 175.5 0.04 . 1 . . . A 786 GLY C . 30020 1 699 . 1 1 65 65 GLY CA C 13 45.6 0.04 . 1 . . . A 786 GLY CA . 30020 1 700 . 1 1 65 65 GLY N N 15 118.9 0.15 . 1 . . . A 786 GLY N . 30020 1 701 . 1 1 66 66 THR H H 1 8.61 0.01 . 1 . . . A 787 THR H . 30020 1 702 . 1 1 66 66 THR HA H 1 4.46 0.01 . 1 . . . A 787 THR HA . 30020 1 703 . 1 1 66 66 THR HB H 1 4.40 0.01 . 1 . . . A 787 THR HB . 30020 1 704 . 1 1 66 66 THR HG21 H 1 0.94 0.01 . 1 . . . A 787 THR HG21 . 30020 1 705 . 1 1 66 66 THR HG22 H 1 0.94 0.01 . 1 . . . A 787 THR HG22 . 30020 1 706 . 1 1 66 66 THR HG23 H 1 0.94 0.01 . 1 . . . A 787 THR HG23 . 30020 1 707 . 1 1 66 66 THR C C 13 174.2 0.04 . 1 . . . A 787 THR C . 30020 1 708 . 1 1 66 66 THR CA C 13 59.7 0.04 . 1 . . . A 787 THR CA . 30020 1 709 . 1 1 66 66 THR CB C 13 69.7 0.04 . 1 . . . A 787 THR CB . 30020 1 710 . 1 1 66 66 THR CG2 C 13 21.5 0.04 . 1 . . . A 787 THR CG2 . 30020 1 711 . 1 1 66 66 THR N N 15 112.6 0.15 . 1 . . . A 787 THR N . 30020 1 712 . 1 1 67 67 PHE H H 1 7.36 0.01 . 1 . . . A 788 PHE H . 30020 1 713 . 1 1 67 67 PHE HA H 1 4.96 0.01 . 1 . . . A 788 PHE HA . 30020 1 714 . 1 1 67 67 PHE HB2 H 1 1.43 0.01 . 2 . . . A 788 PHE HB2 . 30020 1 715 . 1 1 67 67 PHE HB3 H 1 1.47 0.01 . 2 . . . A 788 PHE HB3 . 30020 1 716 . 1 1 67 67 PHE HD1 H 1 6.95 0.01 . 1 . . . A 788 PHE HD1 . 30020 1 717 . 1 1 67 67 PHE HD2 H 1 6.95 0.01 . 1 . . . A 788 PHE HD2 . 30020 1 718 . 1 1 67 67 PHE HE1 H 1 7.20 0.01 . 1 . . . A 788 PHE HE1 . 30020 1 719 . 1 1 67 67 PHE HE2 H 1 7.20 0.01 . 1 . . . A 788 PHE HE2 . 30020 1 720 . 1 1 67 67 PHE HZ H 1 7.06 0.01 . 1 . . . A 788 PHE HZ . 30020 1 721 . 1 1 67 67 PHE C C 13 177.0 0.04 . 1 . . . A 788 PHE C . 30020 1 722 . 1 1 67 67 PHE CA C 13 57.8 0.04 . 1 . . . A 788 PHE CA . 30020 1 723 . 1 1 67 67 PHE CB C 13 38.1 0.04 . 1 . . . A 788 PHE CB . 30020 1 724 . 1 1 67 67 PHE N N 15 122.2 0.15 . 1 . . . A 788 PHE N . 30020 1 725 . 1 1 68 68 GLN H H 1 8.41 0.01 . 1 . . . A 789 GLN H . 30020 1 726 . 1 1 68 68 GLN HA H 1 4.49 0.01 . 1 . . . A 789 GLN HA . 30020 1 727 . 1 1 68 68 GLN HB2 H 1 1.73 0.01 . 2 . . . A 789 GLN HB2 . 30020 1 728 . 1 1 68 68 GLN HB3 H 1 2.04 0.01 . 2 . . . A 789 GLN HB3 . 30020 1 729 . 1 1 68 68 GLN HG2 H 1 2.24 0.01 . 2 . . . A 789 GLN HG2 . 30020 1 730 . 1 1 68 68 GLN HG3 H 1 2.28 0.01 . 2 . . . A 789 GLN HG3 . 30020 1 731 . 1 1 68 68 GLN HE21 H 1 6.77 0.01 . 2 . . . A 789 GLN HE21 . 30020 1 732 . 1 1 68 68 GLN HE22 H 1 7.55 0.01 . 2 . . . A 789 GLN HE22 . 30020 1 733 . 1 1 68 68 GLN C C 13 174.7 0.04 . 1 . . . A 789 GLN C . 30020 1 734 . 1 1 68 68 GLN CA C 13 53.9 0.04 . 1 . . . A 789 GLN CA . 30020 1 735 . 1 1 68 68 GLN CB C 13 33.8 0.04 . 1 . . . A 789 GLN CB . 30020 1 736 . 1 1 68 68 GLN CG C 13 33.8 0.04 . 1 . . . A 789 GLN CG . 30020 1 737 . 1 1 68 68 GLN CD C 13 180.7 0.04 . 1 . . . A 789 GLN CD . 30020 1 738 . 1 1 68 68 GLN N N 15 116.9 0.15 . 1 . . . A 789 GLN N . 30020 1 739 . 1 1 68 68 GLN NE2 N 15 112.2 0.15 . 1 . . . A 789 GLN NE2 . 30020 1 740 . 1 1 69 69 GLN H H 1 9.07 0.01 . 1 . . . A 790 GLN H . 30020 1 741 . 1 1 69 69 GLN HA H 1 3.92 0.01 . 1 . . . A 790 GLN HA . 30020 1 742 . 1 1 69 69 GLN HB2 H 1 1.78 0.01 . 2 . . . A 790 GLN HB2 . 30020 1 743 . 1 1 69 69 GLN HB3 H 1 1.89 0.01 . 2 . . . A 790 GLN HB3 . 30020 1 744 . 1 1 69 69 GLN HG2 H 1 1.91 0.01 . 2 . . . A 790 GLN HG2 . 30020 1 745 . 1 1 69 69 GLN HG3 H 1 2.09 0.01 . 2 . . . A 790 GLN HG3 . 30020 1 746 . 1 1 69 69 GLN HE21 H 1 6.54 0.01 . 2 . . . A 790 GLN HE21 . 30020 1 747 . 1 1 69 69 GLN HE22 H 1 7.36 0.01 . 2 . . . A 790 GLN HE22 . 30020 1 748 . 1 1 69 69 GLN C C 13 176.1 0.04 . 1 . . . A 790 GLN C . 30020 1 749 . 1 1 69 69 GLN CA C 13 58.3 0.04 . 1 . . . A 790 GLN CA . 30020 1 750 . 1 1 69 69 GLN CB C 13 29.2 0.04 . 1 . . . A 790 GLN CB . 30020 1 751 . 1 1 69 69 GLN CG C 13 33.8 0.04 . 1 . . . A 790 GLN CG . 30020 1 752 . 1 1 69 69 GLN CD C 13 179.0 0.04 . 1 . . . A 790 GLN CD . 30020 1 753 . 1 1 69 69 GLN N N 15 123.0 0.15 . 1 . . . A 790 GLN N . 30020 1 754 . 1 1 69 69 GLN NE2 N 15 111.4 0.15 . 1 . . . A 790 GLN NE2 . 30020 1 755 . 1 1 70 70 GLY H H 1 9.37 0.01 . 1 . . . A 791 GLY H . 30020 1 756 . 1 1 70 70 GLY HA2 H 1 3.99 0.01 . 2 . . . A 791 GLY HA2 . 30020 1 757 . 1 1 70 70 GLY HA3 H 1 4.40 0.01 . 2 . . . A 791 GLY HA3 . 30020 1 758 . 1 1 70 70 GLY C C 13 174.1 0.04 . 1 . . . A 791 GLY C . 30020 1 759 . 1 1 70 70 GLY CA C 13 42.8 0.04 . 1 . . . A 791 GLY CA . 30020 1 760 . 1 1 70 70 GLY N N 15 114.4 0.15 . 1 . . . A 791 GLY N . 30020 1 761 . 1 1 71 71 GLU H H 1 8.72 0.01 . 1 . . . A 792 GLU H . 30020 1 762 . 1 1 71 71 GLU HA H 1 3.89 0.01 . 1 . . . A 792 GLU HA . 30020 1 763 . 1 1 71 71 GLU HB2 H 1 1.95 0.01 . 1 . . . A 792 GLU HB2 . 30020 1 764 . 1 1 71 71 GLU HB3 H 1 1.95 0.01 . 1 . . . A 792 GLU HB3 . 30020 1 765 . 1 1 71 71 GLU HG2 H 1 2.24 0.01 . 2 . . . A 792 GLU HG2 . 30020 1 766 . 1 1 71 71 GLU HG3 H 1 2.30 0.01 . 2 . . . A 792 GLU HG3 . 30020 1 767 . 1 1 71 71 GLU C C 13 175.7 0.04 . 1 . . . A 792 GLU C . 30020 1 768 . 1 1 71 71 GLU CA C 13 58.8 0.04 . 1 . . . A 792 GLU CA . 30020 1 769 . 1 1 71 71 GLU CB C 13 29.9 0.04 . 1 . . . A 792 GLU CB . 30020 1 770 . 1 1 71 71 GLU CG C 13 36.4 0.04 . 1 . . . A 792 GLU CG . 30020 1 771 . 1 1 71 71 GLU N N 15 118.0 0.15 . 1 . . . A 792 GLU N . 30020 1 772 . 1 1 72 72 CYS H H 1 6.95 0.01 . 1 . . . A 793 CYS H . 30020 1 773 . 1 1 72 72 CYS HA H 1 4.96 0.01 . 1 . . . A 793 CYS HA . 30020 1 774 . 1 1 72 72 CYS HB2 H 1 2.87 0.01 . 2 . . . A 793 CYS HB2 . 30020 1 775 . 1 1 72 72 CYS HB3 H 1 3.56 0.01 . 2 . . . A 793 CYS HB3 . 30020 1 776 . 1 1 72 72 CYS CA C 13 52.9 0.04 . 1 . . . A 793 CYS CA . 30020 1 777 . 1 1 72 72 CYS CB C 13 40.2 0.04 . 1 . . . A 793 CYS CB . 30020 1 778 . 1 1 72 72 CYS N N 15 114.7 0.15 . 1 . . . A 793 CYS N . 30020 1 779 . 1 1 73 73 HIS HA H 1 4.59 0.01 . 1 . . . A 794 HIS HA . 30020 1 780 . 1 1 73 73 HIS HB2 H 1 2.70 0.01 . 2 . . . A 794 HIS HB2 . 30020 1 781 . 1 1 73 73 HIS HB3 H 1 2.95 0.01 . 2 . . . A 794 HIS HB3 . 30020 1 782 . 1 1 73 73 HIS HD2 H 1 6.68 0.01 . 1 . . . A 794 HIS HD2 . 30020 1 783 . 1 1 73 73 HIS HE1 H 1 8.19 0.01 . 1 . . . A 794 HIS HE1 . 30020 1 784 . 1 1 73 73 HIS C C 13 173.1 0.04 . 1 . . . A 794 HIS C . 30020 1 785 . 1 1 73 73 HIS CA C 13 56.7 0.04 . 1 . . . A 794 HIS CA . 30020 1 786 . 1 1 73 73 HIS CB C 13 33.9 0.04 . 1 . . . A 794 HIS CB . 30020 1 787 . 1 1 74 74 SER H H 1 8.18 0.01 . 1 . . . A 795 SER H . 30020 1 788 . 1 1 74 74 SER HA H 1 4.62 0.01 . 1 . . . A 795 SER HA . 30020 1 789 . 1 1 74 74 SER HB2 H 1 3.78 0.01 . 2 . . . A 795 SER HB2 . 30020 1 790 . 1 1 74 74 SER HB3 H 1 3.98 0.01 . 2 . . . A 795 SER HB3 . 30020 1 791 . 1 1 74 74 SER CA C 13 57.3 0.04 . 1 . . . A 795 SER CA . 30020 1 792 . 1 1 74 74 SER CB C 13 63.0 0.04 . 1 . . . A 795 SER CB . 30020 1 793 . 1 1 74 74 SER N N 15 119.5 0.15 . 1 . . . A 795 SER N . 30020 1 794 . 1 1 75 75 ILE HA H 1 4.10 0.01 . 1 . . . A 796 ILE HA . 30020 1 795 . 1 1 75 75 ILE HB H 1 2.12 0.01 . 1 . . . A 796 ILE HB . 30020 1 796 . 1 1 75 75 ILE HG12 H 1 1.39 0.01 . 2 . . . A 796 ILE HG12 . 30020 1 797 . 1 1 75 75 ILE HG13 H 1 1.46 0.01 . 2 . . . A 796 ILE HG13 . 30020 1 798 . 1 1 75 75 ILE HG21 H 1 1.08 0.01 . 1 . . . A 796 ILE HG21 . 30020 1 799 . 1 1 75 75 ILE HG22 H 1 1.08 0.01 . 1 . . . A 796 ILE HG22 . 30020 1 800 . 1 1 75 75 ILE HG23 H 1 1.08 0.01 . 1 . . . A 796 ILE HG23 . 30020 1 801 . 1 1 75 75 ILE HD11 H 1 0.97 0.01 . 1 . . . A 796 ILE HD11 . 30020 1 802 . 1 1 75 75 ILE HD12 H 1 0.97 0.01 . 1 . . . A 796 ILE HD12 . 30020 1 803 . 1 1 75 75 ILE HD13 H 1 0.97 0.01 . 1 . . . A 796 ILE HD13 . 30020 1 804 . 1 1 75 75 ILE C C 13 176.2 0.04 . 1 . . . A 796 ILE C . 30020 1 805 . 1 1 75 75 ILE CA C 13 63.7 0.04 . 1 . . . A 796 ILE CA . 30020 1 806 . 1 1 75 75 ILE CB C 13 38.0 0.04 . 1 . . . A 796 ILE CB . 30020 1 807 . 1 1 75 75 ILE CG1 C 13 27.0 0.04 . 1 . . . A 796 ILE CG1 . 30020 1 808 . 1 1 75 75 ILE CG2 C 13 17.6 0.04 . 1 . . . A 796 ILE CG2 . 30020 1 809 . 1 1 75 75 ILE CD1 C 13 14.1 0.04 . 1 . . . A 796 ILE CD1 . 30020 1 810 . 1 1 76 76 ASN H H 1 7.88 0.01 . 1 . . . A 797 ASN H . 30020 1 811 . 1 1 76 76 ASN HA H 1 5.00 0.01 . 1 . . . A 797 ASN HA . 30020 1 812 . 1 1 76 76 ASN HB2 H 1 2.78 0.01 . 2 . . . A 797 ASN HB2 . 30020 1 813 . 1 1 76 76 ASN HB3 H 1 3.04 0.01 . 2 . . . A 797 ASN HB3 . 30020 1 814 . 1 1 76 76 ASN HD21 H 1 7.03 0.01 . 2 . . . A 797 ASN HD21 . 30020 1 815 . 1 1 76 76 ASN HD22 H 1 7.63 0.01 . 2 . . . A 797 ASN HD22 . 30020 1 816 . 1 1 76 76 ASN C C 13 175.0 0.04 . 1 . . . A 797 ASN C . 30020 1 817 . 1 1 76 76 ASN CA C 13 53.2 0.04 . 1 . . . A 797 ASN CA . 30020 1 818 . 1 1 76 76 ASN CB C 13 38.9 0.04 . 1 . . . A 797 ASN CB . 30020 1 819 . 1 1 76 76 ASN N N 15 118.3 0.15 . 1 . . . A 797 ASN N . 30020 1 820 . 1 1 76 76 ASN ND2 N 15 114.2 0.15 . 1 . . . A 797 ASN ND2 . 30020 1 821 . 1 1 77 77 SER H H 1 7.71 0.01 . 1 . . . A 798 SER H . 30020 1 822 . 1 1 77 77 SER HA H 1 4.07 0.01 . 1 . . . A 798 SER HA . 30020 1 823 . 1 1 77 77 SER HB2 H 1 3.26 0.01 . 1 . . . A 798 SER HB2 . 30020 1 824 . 1 1 77 77 SER HB3 H 1 3.26 0.01 . 1 . . . A 798 SER HB3 . 30020 1 825 . 1 1 77 77 SER HG H 1 6.38 0.01 . 1 . . . A 798 SER HG . 30020 1 826 . 1 1 77 77 SER C C 13 173.6 0.04 . 1 . . . A 798 SER C . 30020 1 827 . 1 1 77 77 SER CA C 13 64.3 0.04 . 1 . . . A 798 SER CA . 30020 1 828 . 1 1 77 77 SER CB C 13 64.0 0.04 . 1 . . . A 798 SER CB . 30020 1 829 . 1 1 77 77 SER N N 15 114.8 0.15 . 1 . . . A 798 SER N . 30020 1 830 . 1 1 78 78 ASN H H 1 8.40 0.01 . 1 . . . A 799 ASN H . 30020 1 831 . 1 1 78 78 ASN HA H 1 4.00 0.01 . 1 . . . A 799 ASN HA . 30020 1 832 . 1 1 78 78 ASN HB2 H 1 2.65 0.01 . 2 . . . A 799 ASN HB2 . 30020 1 833 . 1 1 78 78 ASN HB3 H 1 2.72 0.01 . 2 . . . A 799 ASN HB3 . 30020 1 834 . 1 1 78 78 ASN HD21 H 1 6.81 0.01 . 2 . . . A 799 ASN HD21 . 30020 1 835 . 1 1 78 78 ASN HD22 H 1 7.77 0.01 . 2 . . . A 799 ASN HD22 . 30020 1 836 . 1 1 78 78 ASN C C 13 176.3 0.04 . 1 . . . A 799 ASN C . 30020 1 837 . 1 1 78 78 ASN CA C 13 57.7 0.04 . 1 . . . A 799 ASN CA . 30020 1 838 . 1 1 78 78 ASN CB C 13 38.3 0.04 . 1 . . . A 799 ASN CB . 30020 1 839 . 1 1 78 78 ASN CG C 13 176.4 0.04 . 1 . . . A 799 ASN CG . 30020 1 840 . 1 1 78 78 ASN N N 15 117.0 0.15 . 1 . . . A 799 ASN N . 30020 1 841 . 1 1 78 78 ASN ND2 N 15 112.3 0.15 . 1 . . . A 799 ASN ND2 . 30020 1 842 . 1 1 79 79 SER H H 1 8.38 0.01 . 1 . . . A 800 SER H . 30020 1 843 . 1 1 79 79 SER HA H 1 4.09 0.01 . 1 . . . A 800 SER HA . 30020 1 844 . 1 1 79 79 SER HB2 H 1 3.91 0.01 . 1 . . . A 800 SER HB2 . 30020 1 845 . 1 1 79 79 SER HB3 H 1 3.91 0.01 . 1 . . . A 800 SER HB3 . 30020 1 846 . 1 1 79 79 SER C C 13 177.2 0.04 . 1 . . . A 800 SER C . 30020 1 847 . 1 1 79 79 SER CA C 13 61.6 0.04 . 1 . . . A 800 SER CA . 30020 1 848 . 1 1 79 79 SER CB C 13 62.5 0.04 . 1 . . . A 800 SER CB . 30020 1 849 . 1 1 79 79 SER N N 15 114.9 0.15 . 1 . . . A 800 SER N . 30020 1 850 . 1 1 80 80 VAL H H 1 7.96 0.01 . 1 . . . A 801 VAL H . 30020 1 851 . 1 1 80 80 VAL HA H 1 3.49 0.01 . 1 . . . A 801 VAL HA . 30020 1 852 . 1 1 80 80 VAL HB H 1 1.74 0.01 . 1 . . . A 801 VAL HB . 30020 1 853 . 1 1 80 80 VAL HG11 H 1 0.08 0.01 . 1 . . . A 801 VAL HG11 . 30020 1 854 . 1 1 80 80 VAL HG12 H 1 0.08 0.01 . 1 . . . A 801 VAL HG12 . 30020 1 855 . 1 1 80 80 VAL HG13 H 1 0.08 0.01 . 1 . . . A 801 VAL HG13 . 30020 1 856 . 1 1 80 80 VAL HG21 H 1 0.80 0.01 . 1 . . . A 801 VAL HG21 . 30020 1 857 . 1 1 80 80 VAL HG22 H 1 0.80 0.01 . 1 . . . A 801 VAL HG22 . 30020 1 858 . 1 1 80 80 VAL HG23 H 1 0.80 0.01 . 1 . . . A 801 VAL HG23 . 30020 1 859 . 1 1 80 80 VAL C C 13 177.2 0.04 . 1 . . . A 801 VAL C . 30020 1 860 . 1 1 80 80 VAL CA C 13 66.4 0.04 . 1 . . . A 801 VAL CA . 30020 1 861 . 1 1 80 80 VAL CB C 13 31.4 0.04 . 1 . . . A 801 VAL CB . 30020 1 862 . 1 1 80 80 VAL CG1 C 13 19.9 0.04 . 1 . . . A 801 VAL CG1 . 30020 1 863 . 1 1 80 80 VAL CG2 C 13 23.5 0.04 . 1 . . . A 801 VAL CG2 . 30020 1 864 . 1 1 80 80 VAL N N 15 121.1 0.15 . 1 . . . A 801 VAL N . 30020 1 865 . 1 1 81 81 LEU H H 1 7.06 0.01 . 1 . . . A 802 LEU H . 30020 1 866 . 1 1 81 81 LEU HA H 1 3.78 0.01 . 1 . . . A 802 LEU HA . 30020 1 867 . 1 1 81 81 LEU HB2 H 1 1.33 0.01 . 2 . . . A 802 LEU HB2 . 30020 1 868 . 1 1 81 81 LEU HB3 H 1 1.91 0.01 . 2 . . . A 802 LEU HB3 . 30020 1 869 . 1 1 81 81 LEU HG H 1 1.81 0.01 . 1 . . . A 802 LEU HG . 30020 1 870 . 1 1 81 81 LEU HD11 H 1 0.86 0.01 . 1 . . . A 802 LEU HD11 . 30020 1 871 . 1 1 81 81 LEU HD12 H 1 0.86 0.01 . 1 . . . A 802 LEU HD12 . 30020 1 872 . 1 1 81 81 LEU HD13 H 1 0.86 0.01 . 1 . . . A 802 LEU HD13 . 30020 1 873 . 1 1 81 81 LEU HD21 H 1 0.88 0.01 . 1 . . . A 802 LEU HD21 . 30020 1 874 . 1 1 81 81 LEU HD22 H 1 0.88 0.01 . 1 . . . A 802 LEU HD22 . 30020 1 875 . 1 1 81 81 LEU HD23 H 1 0.88 0.01 . 1 . . . A 802 LEU HD23 . 30020 1 876 . 1 1 81 81 LEU C C 13 179.0 0.04 . 1 . . . A 802 LEU C . 30020 1 877 . 1 1 81 81 LEU CA C 13 55.9 0.04 . 1 . . . A 802 LEU CA . 30020 1 878 . 1 1 81 81 LEU CB C 13 40.1 0.04 . 1 . . . A 802 LEU CB . 30020 1 879 . 1 1 81 81 LEU CG C 13 28.7 0.04 . 1 . . . A 802 LEU CG . 30020 1 880 . 1 1 81 81 LEU CD1 C 13 25.8 0.04 . 1 . . . A 802 LEU CD1 . 30020 1 881 . 1 1 81 81 LEU CD2 C 13 22.4 0.04 . 1 . . . A 802 LEU CD2 . 30020 1 882 . 1 1 81 81 LEU N N 15 119.7 0.15 . 1 . . . A 802 LEU N . 30020 1 883 . 1 1 82 82 GLU H H 1 8.69 0.01 . 1 . . . A 803 GLU H . 30020 1 884 . 1 1 82 82 GLU HA H 1 3.68 0.01 . 1 . . . A 803 GLU HA . 30020 1 885 . 1 1 82 82 GLU HB2 H 1 1.87 0.01 . 2 . . . A 803 GLU HB2 . 30020 1 886 . 1 1 82 82 GLU HB3 H 1 2.11 0.01 . 2 . . . A 803 GLU HB3 . 30020 1 887 . 1 1 82 82 GLU HG2 H 1 1.99 0.01 . 2 . . . A 803 GLU HG2 . 30020 1 888 . 1 1 82 82 GLU HG3 H 1 2.47 0.01 . 2 . . . A 803 GLU HG3 . 30020 1 889 . 1 1 82 82 GLU C C 13 179.1 0.04 . 1 . . . A 803 GLU C . 30020 1 890 . 1 1 82 82 GLU CA C 13 59.7 0.04 . 1 . . . A 803 GLU CA . 30020 1 891 . 1 1 82 82 GLU CB C 13 30.0 0.04 . 1 . . . A 803 GLU CB . 30020 1 892 . 1 1 82 82 GLU CG C 13 37.5 0.04 . 1 . . . A 803 GLU CG . 30020 1 893 . 1 1 82 82 GLU N N 15 117.8 0.15 . 1 . . . A 803 GLU N . 30020 1 894 . 1 1 83 83 ARG H H 1 8.00 0.01 . 1 . . . A 804 ARG H . 30020 1 895 . 1 1 83 83 ARG HA H 1 3.97 0.01 . 1 . . . A 804 ARG HA . 30020 1 896 . 1 1 83 83 ARG HB2 H 1 1.83 0.01 . 2 . . . A 804 ARG HB2 . 30020 1 897 . 1 1 83 83 ARG HB3 H 1 1.93 0.01 . 2 . . . A 804 ARG HB3 . 30020 1 898 . 1 1 83 83 ARG HG2 H 1 1.69 0.01 . 1 . . . A 804 ARG HG2 . 30020 1 899 . 1 1 83 83 ARG HG3 H 1 1.69 0.01 . 1 . . . A 804 ARG HG3 . 30020 1 900 . 1 1 83 83 ARG HD2 H 1 3.15 0.01 . 1 . . . A 804 ARG HD2 . 30020 1 901 . 1 1 83 83 ARG HD3 H 1 3.15 0.01 . 1 . . . A 804 ARG HD3 . 30020 1 902 . 1 1 83 83 ARG C C 13 179.2 0.04 . 1 . . . A 804 ARG C . 30020 1 903 . 1 1 83 83 ARG CA C 13 58.9 0.04 . 1 . . . A 804 ARG CA . 30020 1 904 . 1 1 83 83 ARG CB C 13 30.1 0.04 . 1 . . . A 804 ARG CB . 30020 1 905 . 1 1 83 83 ARG CG C 13 27.5 0.04 . 1 . . . A 804 ARG CG . 30020 1 906 . 1 1 83 83 ARG CD C 13 43.5 0.04 . 1 . . . A 804 ARG CD . 30020 1 907 . 1 1 83 83 ARG N N 15 117.9 0.15 . 1 . . . A 804 ARG N . 30020 1 908 . 1 1 84 84 LYS H H 1 7.91 0.01 . 1 . . . A 805 LYS H . 30020 1 909 . 1 1 84 84 LYS HA H 1 4.18 0.01 . 1 . . . A 805 LYS HA . 30020 1 910 . 1 1 84 84 LYS HB2 H 1 1.70 0.01 . 2 . . . A 805 LYS HB2 . 30020 1 911 . 1 1 84 84 LYS HB3 H 1 1.81 0.01 . 2 . . . A 805 LYS HB3 . 30020 1 912 . 1 1 84 84 LYS HG2 H 1 1.36 0.01 . 2 . . . A 805 LYS HG2 . 30020 1 913 . 1 1 84 84 LYS HG3 H 1 1.52 0.01 . 2 . . . A 805 LYS HG3 . 30020 1 914 . 1 1 84 84 LYS HD2 H 1 1.62 0.01 . 1 . . . A 805 LYS HD2 . 30020 1 915 . 1 1 84 84 LYS HD3 H 1 1.62 0.01 . 1 . . . A 805 LYS HD3 . 30020 1 916 . 1 1 84 84 LYS HE2 H 1 2.87 0.01 . 1 . . . A 805 LYS HE2 . 30020 1 917 . 1 1 84 84 LYS HE3 H 1 2.87 0.01 . 1 . . . A 805 LYS HE3 . 30020 1 918 . 1 1 84 84 LYS C C 13 178.3 0.04 . 1 . . . A 805 LYS C . 30020 1 919 . 1 1 84 84 LYS CA C 13 57.3 0.04 . 1 . . . A 805 LYS CA . 30020 1 920 . 1 1 84 84 LYS CB C 13 33.6 0.04 . 1 . . . A 805 LYS CB . 30020 1 921 . 1 1 84 84 LYS CG C 13 25.4 0.04 . 1 . . . A 805 LYS CG . 30020 1 922 . 1 1 84 84 LYS N N 15 114.2 0.15 . 1 . . . A 805 LYS N . 30020 1 923 . 1 1 85 85 CYS H H 1 7.55 0.01 . 1 . . . A 806 CYS H . 30020 1 924 . 1 1 85 85 CYS HA H 1 4.84 0.01 . 1 . . . A 806 CYS HA . 30020 1 925 . 1 1 85 85 CYS HB2 H 1 3.02 0.01 . 2 . . . A 806 CYS HB2 . 30020 1 926 . 1 1 85 85 CYS HB3 H 1 3.09 0.01 . 2 . . . A 806 CYS HB3 . 30020 1 927 . 1 1 85 85 CYS C C 13 174.7 0.04 . 1 . . . A 806 CYS C . 30020 1 928 . 1 1 85 85 CYS CA C 13 57.0 0.04 . 1 . . . A 806 CYS CA . 30020 1 929 . 1 1 85 85 CYS CB C 13 44.5 0.04 . 1 . . . A 806 CYS CB . 30020 1 930 . 1 1 85 85 CYS N N 15 110.7 0.15 . 1 . . . A 806 CYS N . 30020 1 931 . 1 1 86 86 ILE H H 1 7.57 0.01 . 1 . . . A 807 ILE H . 30020 1 932 . 1 1 86 86 ILE HA H 1 3.67 0.01 . 1 . . . A 807 ILE HA . 30020 1 933 . 1 1 86 86 ILE HB H 1 2.00 0.01 . 1 . . . A 807 ILE HB . 30020 1 934 . 1 1 86 86 ILE HG12 H 1 1.05 0.01 . 2 . . . A 807 ILE HG12 . 30020 1 935 . 1 1 86 86 ILE HG13 H 1 1.57 0.01 . 2 . . . A 807 ILE HG13 . 30020 1 936 . 1 1 86 86 ILE HG21 H 1 0.85 0.01 . 1 . . . A 807 ILE HG21 . 30020 1 937 . 1 1 86 86 ILE HG22 H 1 0.85 0.01 . 1 . . . A 807 ILE HG22 . 30020 1 938 . 1 1 86 86 ILE HG23 H 1 0.85 0.01 . 1 . . . A 807 ILE HG23 . 30020 1 939 . 1 1 86 86 ILE HD11 H 1 0.76 0.01 . 1 . . . A 807 ILE HD11 . 30020 1 940 . 1 1 86 86 ILE HD12 H 1 0.76 0.01 . 1 . . . A 807 ILE HD12 . 30020 1 941 . 1 1 86 86 ILE HD13 H 1 0.76 0.01 . 1 . . . A 807 ILE HD13 . 30020 1 942 . 1 1 86 86 ILE C C 13 178.0 0.04 . 1 . . . A 807 ILE C . 30020 1 943 . 1 1 86 86 ILE CA C 13 63.6 0.04 . 1 . . . A 807 ILE CA . 30020 1 944 . 1 1 86 86 ILE CB C 13 35.3 0.04 . 1 . . . A 807 ILE CB . 30020 1 945 . 1 1 86 86 ILE CG1 C 13 29.3 0.04 . 1 . . . A 807 ILE CG1 . 30020 1 946 . 1 1 86 86 ILE CG2 C 13 16.6 0.04 . 1 . . . A 807 ILE CG2 . 30020 1 947 . 1 1 86 86 ILE CD1 C 13 11.9 0.04 . 1 . . . A 807 ILE CD1 . 30020 1 948 . 1 1 86 86 ILE N N 15 117.5 0.15 . 1 . . . A 807 ILE N . 30020 1 949 . 1 1 87 87 GLY H H 1 9.41 0.01 . 1 . . . A 808 GLY H . 30020 1 950 . 1 1 87 87 GLY HA2 H 1 3.63 0.01 . 2 . . . A 808 GLY HA2 . 30020 1 951 . 1 1 87 87 GLY HA3 H 1 4.33 0.01 . 2 . . . A 808 GLY HA3 . 30020 1 952 . 1 1 87 87 GLY C C 13 173.7 0.04 . 1 . . . A 808 GLY C . 30020 1 953 . 1 1 87 87 GLY CA C 13 44.4 0.04 . 1 . . . A 808 GLY CA . 30020 1 954 . 1 1 87 87 GLY N N 15 114.1 0.15 . 1 . . . A 808 GLY N . 30020 1 955 . 1 1 88 88 LEU H H 1 7.73 0.01 . 1 . . . A 809 LEU H . 30020 1 956 . 1 1 88 88 LEU HA H 1 4.76 0.01 . 1 . . . A 809 LEU HA . 30020 1 957 . 1 1 88 88 LEU HB2 H 1 1.66 0.01 . 2 . . . A 809 LEU HB2 . 30020 1 958 . 1 1 88 88 LEU HB3 H 1 1.81 0.01 . 2 . . . A 809 LEU HB3 . 30020 1 959 . 1 1 88 88 LEU HG H 1 1.46 0.01 . 1 . . . A 809 LEU HG . 30020 1 960 . 1 1 88 88 LEU HD11 H 1 1.04 0.01 . 1 . . . A 809 LEU HD11 . 30020 1 961 . 1 1 88 88 LEU HD12 H 1 1.04 0.01 . 1 . . . A 809 LEU HD12 . 30020 1 962 . 1 1 88 88 LEU HD13 H 1 1.04 0.01 . 1 . . . A 809 LEU HD13 . 30020 1 963 . 1 1 88 88 LEU HD21 H 1 0.90 0.01 . 1 . . . A 809 LEU HD21 . 30020 1 964 . 1 1 88 88 LEU HD22 H 1 0.90 0.01 . 1 . . . A 809 LEU HD22 . 30020 1 965 . 1 1 88 88 LEU HD23 H 1 0.90 0.01 . 1 . . . A 809 LEU HD23 . 30020 1 966 . 1 1 88 88 LEU C C 13 176.7 0.04 . 1 . . . A 809 LEU C . 30020 1 967 . 1 1 88 88 LEU CA C 13 53.5 0.04 . 1 . . . A 809 LEU CA . 30020 1 968 . 1 1 88 88 LEU CB C 13 43.9 0.04 . 1 . . . A 809 LEU CB . 30020 1 969 . 1 1 88 88 LEU CG C 13 27.3 0.04 . 1 . . . A 809 LEU CG . 30020 1 970 . 1 1 88 88 LEU CD1 C 13 26.0 0.04 . 1 . . . A 809 LEU CD1 . 30020 1 971 . 1 1 88 88 LEU CD2 C 13 22.9 0.04 . 1 . . . A 809 LEU CD2 . 30020 1 972 . 1 1 88 88 LEU N N 15 120.0 0.15 . 1 . . . A 809 LEU N . 30020 1 973 . 1 1 89 89 GLU H H 1 8.77 0.01 . 1 . . . A 810 GLU H . 30020 1 974 . 1 1 89 89 GLU HA H 1 4.22 0.01 . 1 . . . A 810 GLU HA . 30020 1 975 . 1 1 89 89 GLU HB2 H 1 1.92 0.01 . 2 . . . A 810 GLU HB2 . 30020 1 976 . 1 1 89 89 GLU HB3 H 1 2.20 0.01 . 2 . . . A 810 GLU HB3 . 30020 1 977 . 1 1 89 89 GLU HG2 H 1 2.14 0.01 . 2 . . . A 810 GLU HG2 . 30020 1 978 . 1 1 89 89 GLU HG3 H 1 2.42 0.01 . 2 . . . A 810 GLU HG3 . 30020 1 979 . 1 1 89 89 GLU C C 13 174.2 0.04 . 1 . . . A 810 GLU C . 30020 1 980 . 1 1 89 89 GLU CA C 13 58.6 0.04 . 1 . . . A 810 GLU CA . 30020 1 981 . 1 1 89 89 GLU CB C 13 31.6 0.04 . 1 . . . A 810 GLU CB . 30020 1 982 . 1 1 89 89 GLU CG C 13 36.6 0.04 . 1 . . . A 810 GLU CG . 30020 1 983 . 1 1 89 89 GLU N N 15 121.2 0.15 . 1 . . . A 810 GLU N . 30020 1 984 . 1 1 90 90 ARG H H 1 7.28 0.01 . 1 . . . A 811 ARG H . 30020 1 985 . 1 1 90 90 ARG HA H 1 5.21 0.01 . 1 . . . A 811 ARG HA . 30020 1 986 . 1 1 90 90 ARG HB2 H 1 1.82 0.01 . 1 . . . A 811 ARG HB2 . 30020 1 987 . 1 1 90 90 ARG HB3 H 1 1.82 0.01 . 1 . . . A 811 ARG HB3 . 30020 1 988 . 1 1 90 90 ARG HG2 H 1 1.51 0.01 . 1 . . . A 811 ARG HG2 . 30020 1 989 . 1 1 90 90 ARG HG3 H 1 1.51 0.01 . 1 . . . A 811 ARG HG3 . 30020 1 990 . 1 1 90 90 ARG HD2 H 1 3.16 0.01 . 1 . . . A 811 ARG HD2 . 30020 1 991 . 1 1 90 90 ARG HD3 H 1 3.16 0.01 . 1 . . . A 811 ARG HD3 . 30020 1 992 . 1 1 90 90 ARG C C 13 174.0 0.04 . 1 . . . A 811 ARG C . 30020 1 993 . 1 1 90 90 ARG CA C 13 53.5 0.04 . 1 . . . A 811 ARG CA . 30020 1 994 . 1 1 90 90 ARG CB C 13 33.5 0.04 . 1 . . . A 811 ARG CB . 30020 1 995 . 1 1 90 90 ARG CG C 13 26.5 0.04 . 1 . . . A 811 ARG CG . 30020 1 996 . 1 1 90 90 ARG CD C 13 43.8 0.04 . 1 . . . A 811 ARG CD . 30020 1 997 . 1 1 90 90 ARG N N 15 111.1 0.15 . 1 . . . A 811 ARG N . 30020 1 998 . 1 1 91 91 CYS H H 1 9.12 0.01 . 1 . . . A 812 CYS H . 30020 1 999 . 1 1 91 91 CYS HA H 1 4.92 0.01 . 1 . . . A 812 CYS HA . 30020 1 1000 . 1 1 91 91 CYS HB2 H 1 2.84 0.01 . 2 . . . A 812 CYS HB2 . 30020 1 1001 . 1 1 91 91 CYS HB3 H 1 3.32 0.01 . 2 . . . A 812 CYS HB3 . 30020 1 1002 . 1 1 91 91 CYS C C 13 171.6 0.04 . 1 . . . A 812 CYS C . 30020 1 1003 . 1 1 91 91 CYS CA C 13 53.9 0.04 . 1 . . . A 812 CYS CA . 30020 1 1004 . 1 1 91 91 CYS CB C 13 46.4 0.04 . 1 . . . A 812 CYS CB . 30020 1 1005 . 1 1 91 91 CYS N N 15 118.3 0.15 . 1 . . . A 812 CYS N . 30020 1 1006 . 1 1 92 92 VAL H H 1 8.45 0.01 . 1 . . . A 813 VAL H . 30020 1 1007 . 1 1 92 92 VAL HA H 1 5.02 0.01 . 1 . . . A 813 VAL HA . 30020 1 1008 . 1 1 92 92 VAL HB H 1 1.75 0.01 . 1 . . . A 813 VAL HB . 30020 1 1009 . 1 1 92 92 VAL HG11 H 1 0.58 0.01 . 1 . . . A 813 VAL HG11 . 30020 1 1010 . 1 1 92 92 VAL HG12 H 1 0.58 0.01 . 1 . . . A 813 VAL HG12 . 30020 1 1011 . 1 1 92 92 VAL HG13 H 1 0.58 0.01 . 1 . . . A 813 VAL HG13 . 30020 1 1012 . 1 1 92 92 VAL HG21 H 1 0.58 0.01 . 1 . . . A 813 VAL HG21 . 30020 1 1013 . 1 1 92 92 VAL HG22 H 1 0.58 0.01 . 1 . . . A 813 VAL HG22 . 30020 1 1014 . 1 1 92 92 VAL HG23 H 1 0.58 0.01 . 1 . . . A 813 VAL HG23 . 30020 1 1015 . 1 1 92 92 VAL C C 13 175.1 0.04 . 1 . . . A 813 VAL C . 30020 1 1016 . 1 1 92 92 VAL CA C 13 60.4 0.04 . 1 . . . A 813 VAL CA . 30020 1 1017 . 1 1 92 92 VAL CB C 13 33.9 0.04 . 1 . . . A 813 VAL CB . 30020 1 1018 . 1 1 92 92 VAL CG1 C 13 20.9 0.04 . 1 . . . A 813 VAL CG1 . 30020 1 1019 . 1 1 92 92 VAL CG2 C 13 20.9 0.04 . 1 . . . A 813 VAL CG2 . 30020 1 1020 . 1 1 92 92 VAL N N 15 124.5 0.15 . 1 . . . A 813 VAL N . 30020 1 1021 . 1 1 93 93 VAL H H 1 8.65 0.01 . 1 . . . A 814 VAL H . 30020 1 1022 . 1 1 93 93 VAL HA H 1 4.14 0.01 . 1 . . . A 814 VAL HA . 30020 1 1023 . 1 1 93 93 VAL HB H 1 1.67 0.01 . 1 . . . A 814 VAL HB . 30020 1 1024 . 1 1 93 93 VAL HG11 H 1 0.62 0.01 . 1 . . . A 814 VAL HG11 . 30020 1 1025 . 1 1 93 93 VAL HG12 H 1 0.62 0.01 . 1 . . . A 814 VAL HG12 . 30020 1 1026 . 1 1 93 93 VAL HG13 H 1 0.62 0.01 . 1 . . . A 814 VAL HG13 . 30020 1 1027 . 1 1 93 93 VAL HG21 H 1 0.69 0.01 . 1 . . . A 814 VAL HG21 . 30020 1 1028 . 1 1 93 93 VAL HG22 H 1 0.69 0.01 . 1 . . . A 814 VAL HG22 . 30020 1 1029 . 1 1 93 93 VAL HG23 H 1 0.69 0.01 . 1 . . . A 814 VAL HG23 . 30020 1 1030 . 1 1 93 93 VAL C C 13 174.6 0.04 . 1 . . . A 814 VAL C . 30020 1 1031 . 1 1 93 93 VAL CA C 13 60.7 0.04 . 1 . . . A 814 VAL CA . 30020 1 1032 . 1 1 93 93 VAL CB C 13 35.4 0.04 . 1 . . . A 814 VAL CB . 30020 1 1033 . 1 1 93 93 VAL CG1 C 13 20.8 0.04 . 1 . . . A 814 VAL CG1 . 30020 1 1034 . 1 1 93 93 VAL CG2 C 13 21.4 0.04 . 1 . . . A 814 VAL CG2 . 30020 1 1035 . 1 1 93 93 VAL N N 15 126.1 0.15 . 1 . . . A 814 VAL N . 30020 1 1036 . 1 1 94 94 ALA H H 1 8.57 0.01 . 1 . . . A 815 ALA H . 30020 1 1037 . 1 1 94 94 ALA HA H 1 4.35 0.01 . 1 . . . A 815 ALA HA . 30020 1 1038 . 1 1 94 94 ALA HB1 H 1 1.20 0.01 . 1 . . . A 815 ALA HB1 . 30020 1 1039 . 1 1 94 94 ALA HB2 H 1 1.20 0.01 . 1 . . . A 815 ALA HB2 . 30020 1 1040 . 1 1 94 94 ALA HB3 H 1 1.20 0.01 . 1 . . . A 815 ALA HB3 . 30020 1 1041 . 1 1 94 94 ALA C C 13 177.2 0.04 . 1 . . . A 815 ALA C . 30020 1 1042 . 1 1 94 94 ALA CA C 13 52.3 0.04 . 1 . . . A 815 ALA CA . 30020 1 1043 . 1 1 94 94 ALA CB C 13 18.6 0.04 . 1 . . . A 815 ALA CB . 30020 1 1044 . 1 1 94 94 ALA N N 15 129.9 0.15 . 1 . . . A 815 ALA N . 30020 1 1045 . 1 1 95 95 ILE H H 1 8.62 0.01 . 1 . . . A 816 ILE H . 30020 1 1046 . 1 1 95 95 ILE HA H 1 3.70 0.01 . 1 . . . A 816 ILE HA . 30020 1 1047 . 1 1 95 95 ILE HB H 1 1.75 0.01 . 1 . . . A 816 ILE HB . 30020 1 1048 . 1 1 95 95 ILE HG12 H 1 1.50 0.01 . 1 . . . A 816 ILE HG12 . 30020 1 1049 . 1 1 95 95 ILE HG13 H 1 1.50 0.01 . 1 . . . A 816 ILE HG13 . 30020 1 1050 . 1 1 95 95 ILE HG21 H 1 0.52 0.01 . 1 . . . A 816 ILE HG21 . 30020 1 1051 . 1 1 95 95 ILE HG22 H 1 0.52 0.01 . 1 . . . A 816 ILE HG22 . 30020 1 1052 . 1 1 95 95 ILE HG23 H 1 0.52 0.01 . 1 . . . A 816 ILE HG23 . 30020 1 1053 . 1 1 95 95 ILE HD11 H 1 0.59 0.01 . 1 . . . A 816 ILE HD11 . 30020 1 1054 . 1 1 95 95 ILE HD12 H 1 0.59 0.01 . 1 . . . A 816 ILE HD12 . 30020 1 1055 . 1 1 95 95 ILE HD13 H 1 0.59 0.01 . 1 . . . A 816 ILE HD13 . 30020 1 1056 . 1 1 95 95 ILE C C 13 173.6 0.04 . 1 . . . A 816 ILE C . 30020 1 1057 . 1 1 95 95 ILE CA C 13 61.7 0.04 . 1 . . . A 816 ILE CA . 30020 1 1058 . 1 1 95 95 ILE CB C 13 36.3 0.04 . 1 . . . A 816 ILE CB . 30020 1 1059 . 1 1 95 95 ILE CG1 C 13 26.6 0.04 . 1 . . . A 816 ILE CG1 . 30020 1 1060 . 1 1 95 95 ILE CG2 C 13 18.0 0.04 . 1 . . . A 816 ILE CG2 . 30020 1 1061 . 1 1 95 95 ILE CD1 C 13 13.8 0.04 . 1 . . . A 816 ILE CD1 . 30020 1 1062 . 1 1 95 95 ILE N N 15 121.8 0.15 . 1 . . . A 816 ILE N . 30020 1 1063 . 1 1 96 96 SER H H 1 6.99 0.01 . 1 . . . A 817 SER H . 30020 1 1064 . 1 1 96 96 SER HA H 1 5.08 0.01 . 1 . . . A 817 SER HA . 30020 1 1065 . 1 1 96 96 SER HB2 H 1 3.73 0.01 . 2 . . . A 817 SER HB2 . 30020 1 1066 . 1 1 96 96 SER HB3 H 1 4.07 0.01 . 2 . . . A 817 SER HB3 . 30020 1 1067 . 1 1 96 96 SER CA C 13 54.6 0.04 . 1 . . . A 817 SER CA . 30020 1 1068 . 1 1 96 96 SER CB C 13 64.5 0.04 . 1 . . . A 817 SER CB . 30020 1 1069 . 1 1 96 96 SER N N 15 118.8 0.15 . 1 . . . A 817 SER N . 30020 1 1070 . 1 1 97 97 PRO HA H 1 4.36 0.01 . 1 . . . A 818 PRO HA . 30020 1 1071 . 1 1 97 97 PRO HB2 H 1 2.11 0.01 . 1 . . . A 818 PRO HB2 . 30020 1 1072 . 1 1 97 97 PRO HB3 H 1 2.11 0.01 . 1 . . . A 818 PRO HB3 . 30020 1 1073 . 1 1 97 97 PRO HG2 H 1 1.96 0.01 . 2 . . . A 818 PRO HG2 . 30020 1 1074 . 1 1 97 97 PRO HG3 H 1 2.39 0.01 . 2 . . . A 818 PRO HG3 . 30020 1 1075 . 1 1 97 97 PRO HD2 H 1 4.00 0.01 . 2 . . . A 818 PRO HD2 . 30020 1 1076 . 1 1 97 97 PRO HD3 H 1 4.16 0.01 . 2 . . . A 818 PRO HD3 . 30020 1 1077 . 1 1 97 97 PRO CB C 13 32.1 0.04 . 1 . . . A 818 PRO CB . 30020 1 1078 . 1 1 97 97 PRO CG C 13 28.3 0.04 . 1 . . . A 818 PRO CG . 30020 1 1079 . 1 1 97 97 PRO CD C 13 51.1 0.04 . 1 . . . A 818 PRO CD . 30020 1 1080 . 1 1 98 98 SER HA H 1 4.10 0.01 . 1 . . . A 819 SER HA . 30020 1 1081 . 1 1 98 98 SER HB2 H 1 3.81 0.01 . 1 . . . A 819 SER HB2 . 30020 1 1082 . 1 1 98 98 SER HB3 H 1 3.81 0.01 . 1 . . . A 819 SER HB3 . 30020 1 1083 . 1 1 98 98 SER C C 13 177.0 0.04 . 1 . . . A 819 SER C . 30020 1 1084 . 1 1 98 98 SER CA C 13 61.4 0.04 . 1 . . . A 819 SER CA . 30020 1 1085 . 1 1 98 98 SER CB C 13 62.2 0.04 . 1 . . . A 819 SER CB . 30020 1 1086 . 1 1 99 99 ASN H H 1 7.67 0.01 . 1 . . . A 820 ASN H . 30020 1 1087 . 1 1 99 99 ASN HA H 1 4.56 0.01 . 1 . . . A 820 ASN HA . 30020 1 1088 . 1 1 99 99 ASN HB2 H 1 2.17 0.01 . 2 . . . A 820 ASN HB2 . 30020 1 1089 . 1 1 99 99 ASN HB3 H 1 2.60 0.01 . 2 . . . A 820 ASN HB3 . 30020 1 1090 . 1 1 99 99 ASN HD21 H 1 6.87 0.01 . 2 . . . A 820 ASN HD21 . 30020 1 1091 . 1 1 99 99 ASN HD22 H 1 7.87 0.01 . 2 . . . A 820 ASN HD22 . 30020 1 1092 . 1 1 99 99 ASN C C 13 175.5 0.04 . 1 . . . A 820 ASN C . 30020 1 1093 . 1 1 99 99 ASN CA C 13 54.2 0.04 . 1 . . . A 820 ASN CA . 30020 1 1094 . 1 1 99 99 ASN CB C 13 38.8 0.04 . 1 . . . A 820 ASN CB . 30020 1 1095 . 1 1 99 99 ASN N N 15 119.4 0.15 . 1 . . . A 820 ASN N . 30020 1 1096 . 1 1 99 99 ASN ND2 N 15 112.9 0.15 . 1 . . . A 820 ASN ND2 . 30020 1 1097 . 1 1 100 100 PHE H H 1 7.38 0.01 . 1 . . . A 821 PHE H . 30020 1 1098 . 1 1 100 100 PHE HA H 1 4.40 0.01 . 1 . . . A 821 PHE HA . 30020 1 1099 . 1 1 100 100 PHE HB2 H 1 2.51 0.01 . 2 . . . A 821 PHE HB2 . 30020 1 1100 . 1 1 100 100 PHE HB3 H 1 3.67 0.01 . 2 . . . A 821 PHE HB3 . 30020 1 1101 . 1 1 100 100 PHE HD1 H 1 6.89 0.01 . 1 . . . A 821 PHE HD1 . 30020 1 1102 . 1 1 100 100 PHE HD2 H 1 6.89 0.01 . 1 . . . A 821 PHE HD2 . 30020 1 1103 . 1 1 100 100 PHE HE1 H 1 6.97 0.01 . 1 . . . A 821 PHE HE1 . 30020 1 1104 . 1 1 100 100 PHE HE2 H 1 6.97 0.01 . 1 . . . A 821 PHE HE2 . 30020 1 1105 . 1 1 100 100 PHE HZ H 1 6.60 0.01 . 1 . . . A 821 PHE HZ . 30020 1 1106 . 1 1 100 100 PHE C C 13 174.7 0.04 . 1 . . . A 821 PHE C . 30020 1 1107 . 1 1 100 100 PHE CA C 13 58.7 0.04 . 1 . . . A 821 PHE CA . 30020 1 1108 . 1 1 100 100 PHE CB C 13 40.7 0.04 . 1 . . . A 821 PHE CB . 30020 1 1109 . 1 1 100 100 PHE N N 15 114.2 0.15 . 1 . . . A 821 PHE N . 30020 1 1110 . 1 1 101 101 GLY H H 1 7.72 0.01 . 1 . . . A 822 GLY H . 30020 1 1111 . 1 1 101 101 GLY HA2 H 1 3.82 0.01 . 2 . . . A 822 GLY HA2 . 30020 1 1112 . 1 1 101 101 GLY HA3 H 1 3.96 0.01 . 2 . . . A 822 GLY HA3 . 30020 1 1113 . 1 1 101 101 GLY C C 13 174.0 0.04 . 1 . . . A 822 GLY C . 30020 1 1114 . 1 1 101 101 GLY CA C 13 46.3 0.04 . 1 . . . A 822 GLY CA . 30020 1 1115 . 1 1 101 101 GLY N N 15 108.3 0.15 . 1 . . . A 822 GLY N . 30020 1 1116 . 1 1 102 102 GLY H H 1 8.27 0.01 . 1 . . . A 823 GLY H . 30020 1 1117 . 1 1 102 102 GLY HA2 H 1 3.63 0.01 . 2 . . . A 823 GLY HA2 . 30020 1 1118 . 1 1 102 102 GLY HA3 H 1 4.37 0.01 . 2 . . . A 823 GLY HA3 . 30020 1 1119 . 1 1 102 102 GLY CA C 13 43.7 0.04 . 1 . . . A 823 GLY CA . 30020 1 1120 . 1 1 102 102 GLY N N 15 108.5 0.15 . 1 . . . A 823 GLY N . 30020 1 1121 . 1 1 103 103 ASP HA H 1 4.79 0.01 . 1 . . . A 824 ASP HA . 30020 1 1122 . 1 1 103 103 ASP HB2 H 1 2.38 0.01 . 2 . . . A 824 ASP HB2 . 30020 1 1123 . 1 1 103 103 ASP HB3 H 1 2.98 0.01 . 2 . . . A 824 ASP HB3 . 30020 1 1124 . 1 1 103 103 ASP CA C 13 50.4 0.04 . 1 . . . A 824 ASP CA . 30020 1 1125 . 1 1 103 103 ASP CB C 13 42.4 0.04 . 1 . . . A 824 ASP CB . 30020 1 1126 . 1 1 104 104 PRO HA H 1 4.45 0.01 . 1 . . . A 825 PRO HA . 30020 1 1127 . 1 1 104 104 PRO HB2 H 1 2.07 0.01 . 1 . . . A 825 PRO HB2 . 30020 1 1128 . 1 1 104 104 PRO HB3 H 1 2.07 0.01 . 1 . . . A 825 PRO HB3 . 30020 1 1129 . 1 1 104 104 PRO HG2 H 1 1.96 0.01 . 1 . . . A 825 PRO HG2 . 30020 1 1130 . 1 1 104 104 PRO HG3 H 1 1.96 0.01 . 1 . . . A 825 PRO HG3 . 30020 1 1131 . 1 1 104 104 PRO HD2 H 1 3.79 0.01 . 1 . . . A 825 PRO HD2 . 30020 1 1132 . 1 1 104 104 PRO HD3 H 1 3.79 0.01 . 1 . . . A 825 PRO HD3 . 30020 1 1133 . 1 1 104 104 PRO C C 13 176.4 0.04 . 1 . . . A 825 PRO C . 30020 1 1134 . 1 1 104 104 PRO CA C 13 63.4 0.04 . 1 . . . A 825 PRO CA . 30020 1 1135 . 1 1 104 104 PRO CB C 13 31.8 0.04 . 1 . . . A 825 PRO CB . 30020 1 1136 . 1 1 105 105 CYS H H 1 8.28 0.01 . 1 . . . A 826 CYS H . 30020 1 1137 . 1 1 105 105 CYS HA H 1 4.76 0.01 . 1 . . . A 826 CYS HA . 30020 1 1138 . 1 1 105 105 CYS HB2 H 1 3.12 0.01 . 2 . . . A 826 CYS HB2 . 30020 1 1139 . 1 1 105 105 CYS HB3 H 1 3.27 0.01 . 2 . . . A 826 CYS HB3 . 30020 1 1140 . 1 1 105 105 CYS CA C 13 54.6 0.04 . 1 . . . A 826 CYS CA . 30020 1 1141 . 1 1 105 105 CYS CB C 13 44.6 0.04 . 1 . . . A 826 CYS CB . 30020 1 1142 . 1 1 105 105 CYS N N 15 112.8 0.15 . 1 . . . A 826 CYS N . 30020 1 1143 . 1 1 106 106 PRO HA H 1 4.51 0.01 . 1 . . . A 827 PRO HA . 30020 1 1144 . 1 1 106 106 PRO HB2 H 1 1.80 0.01 . 2 . . . A 827 PRO HB2 . 30020 1 1145 . 1 1 106 106 PRO HB3 H 1 2.24 0.01 . 2 . . . A 827 PRO HB3 . 30020 1 1146 . 1 1 106 106 PRO HG2 H 1 1.79 0.01 . 2 . . . A 827 PRO HG2 . 30020 1 1147 . 1 1 106 106 PRO HG3 H 1 2.02 0.01 . 2 . . . A 827 PRO HG3 . 30020 1 1148 . 1 1 106 106 PRO HD2 H 1 3.36 0.01 . 2 . . . A 827 PRO HD2 . 30020 1 1149 . 1 1 106 106 PRO HD3 H 1 3.54 0.01 . 2 . . . A 827 PRO HD3 . 30020 1 1150 . 1 1 106 106 PRO C C 13 177.0 0.04 . 1 . . . A 827 PRO C . 30020 1 1151 . 1 1 106 106 PRO CA C 13 64.0 0.04 . 1 . . . A 827 PRO CA . 30020 1 1152 . 1 1 106 106 PRO CB C 13 32.4 0.04 . 1 . . . A 827 PRO CB . 30020 1 1153 . 1 1 106 106 PRO CG C 13 27.4 0.04 . 1 . . . A 827 PRO CG . 30020 1 1154 . 1 1 106 106 PRO CD C 13 50.1 0.04 . 1 . . . A 827 PRO CD . 30020 1 1155 . 1 1 107 107 GLU H H 1 8.95 0.01 . 1 . . . A 828 GLU H . 30020 1 1156 . 1 1 107 107 GLU HA H 1 3.97 0.01 . 1 . . . A 828 GLU HA . 30020 1 1157 . 1 1 107 107 GLU HB2 H 1 2.13 0.01 . 1 . . . A 828 GLU HB2 . 30020 1 1158 . 1 1 107 107 GLU HB3 H 1 2.13 0.01 . 1 . . . A 828 GLU HB3 . 30020 1 1159 . 1 1 107 107 GLU HG2 H 1 2.16 0.01 . 1 . . . A 828 GLU HG2 . 30020 1 1160 . 1 1 107 107 GLU HG3 H 1 2.16 0.01 . 1 . . . A 828 GLU HG3 . 30020 1 1161 . 1 1 107 107 GLU C C 13 175.3 0.04 . 1 . . . A 828 GLU C . 30020 1 1162 . 1 1 107 107 GLU CA C 13 57.5 0.04 . 1 . . . A 828 GLU CA . 30020 1 1163 . 1 1 107 107 GLU CB C 13 28.0 0.04 . 1 . . . A 828 GLU CB . 30020 1 1164 . 1 1 107 107 GLU CG C 13 36.6 0.04 . 1 . . . A 828 GLU CG . 30020 1 1165 . 1 1 107 107 GLU N N 15 115.2 0.15 . 1 . . . A 828 GLU N . 30020 1 1166 . 1 1 108 108 VAL H H 1 7.47 0.01 . 1 . . . A 829 VAL H . 30020 1 1167 . 1 1 108 108 VAL HA H 1 4.12 0.01 . 1 . . . A 829 VAL HA . 30020 1 1168 . 1 1 108 108 VAL HB H 1 1.99 0.01 . 1 . . . A 829 VAL HB . 30020 1 1169 . 1 1 108 108 VAL HG11 H 1 0.79 0.01 . 1 . . . A 829 VAL HG11 . 30020 1 1170 . 1 1 108 108 VAL HG12 H 1 0.79 0.01 . 1 . . . A 829 VAL HG12 . 30020 1 1171 . 1 1 108 108 VAL HG13 H 1 0.79 0.01 . 1 . . . A 829 VAL HG13 . 30020 1 1172 . 1 1 108 108 VAL HG21 H 1 0.74 0.01 . 1 . . . A 829 VAL HG21 . 30020 1 1173 . 1 1 108 108 VAL HG22 H 1 0.74 0.01 . 1 . . . A 829 VAL HG22 . 30020 1 1174 . 1 1 108 108 VAL HG23 H 1 0.74 0.01 . 1 . . . A 829 VAL HG23 . 30020 1 1175 . 1 1 108 108 VAL C C 13 175.1 0.04 . 1 . . . A 829 VAL C . 30020 1 1176 . 1 1 108 108 VAL CA C 13 60.8 0.04 . 1 . . . A 829 VAL CA . 30020 1 1177 . 1 1 108 108 VAL CB C 13 34.2 0.04 . 1 . . . A 829 VAL CB . 30020 1 1178 . 1 1 108 108 VAL CG1 C 13 21.7 0.04 . 1 . . . A 829 VAL CG1 . 30020 1 1179 . 1 1 108 108 VAL CG2 C 13 21.5 0.04 . 1 . . . A 829 VAL CG2 . 30020 1 1180 . 1 1 108 108 VAL N N 15 120.4 0.15 . 1 . . . A 829 VAL N . 30020 1 1181 . 1 1 109 109 MET H H 1 8.35 0.01 . 1 . . . A 830 MET H . 30020 1 1182 . 1 1 109 109 MET HA H 1 4.35 0.01 . 1 . . . A 830 MET HA . 30020 1 1183 . 1 1 109 109 MET HB2 H 1 1.93 0.01 . 2 . . . A 830 MET HB2 . 30020 1 1184 . 1 1 109 109 MET HB3 H 1 2.02 0.01 . 2 . . . A 830 MET HB3 . 30020 1 1185 . 1 1 109 109 MET HG2 H 1 2.42 0.01 . 2 . . . A 830 MET HG2 . 30020 1 1186 . 1 1 109 109 MET HG3 H 1 2.51 0.01 . 2 . . . A 830 MET HG3 . 30020 1 1187 . 1 1 109 109 MET C C 13 176.2 0.04 . 1 . . . A 830 MET C . 30020 1 1188 . 1 1 109 109 MET CA C 13 56.1 0.04 . 1 . . . A 830 MET CA . 30020 1 1189 . 1 1 109 109 MET CB C 13 32.0 0.04 . 1 . . . A 830 MET CB . 30020 1 1190 . 1 1 109 109 MET CG C 13 32.0 0.04 . 1 . . . A 830 MET CG . 30020 1 1191 . 1 1 109 109 MET N N 15 125.5 0.15 . 1 . . . A 830 MET N . 30020 1 1192 . 1 1 110 110 LYS H H 1 9.26 0.01 . 1 . . . A 831 LYS H . 30020 1 1193 . 1 1 110 110 LYS HA H 1 4.49 0.01 . 1 . . . A 831 LYS HA . 30020 1 1194 . 1 1 110 110 LYS HB2 H 1 1.50 0.01 . 1 . . . A 831 LYS HB2 . 30020 1 1195 . 1 1 110 110 LYS HB3 H 1 1.50 0.01 . 1 . . . A 831 LYS HB3 . 30020 1 1196 . 1 1 110 110 LYS HG2 H 1 1.36 0.01 . 1 . . . A 831 LYS HG2 . 30020 1 1197 . 1 1 110 110 LYS HG3 H 1 1.36 0.01 . 1 . . . A 831 LYS HG3 . 30020 1 1198 . 1 1 110 110 LYS C C 13 175.7 0.04 . 1 . . . A 831 LYS C . 30020 1 1199 . 1 1 110 110 LYS CA C 13 55.4 0.04 . 1 . . . A 831 LYS CA . 30020 1 1200 . 1 1 110 110 LYS CB C 13 36.0 0.04 . 1 . . . A 831 LYS CB . 30020 1 1201 . 1 1 110 110 LYS N N 15 126.9 0.15 . 1 . . . A 831 LYS N . 30020 1 1202 . 1 1 111 111 ARG H H 1 9.14 0.01 . 1 . . . A 832 ARG H . 30020 1 1203 . 1 1 111 111 ARG HA H 1 5.18 0.01 . 1 . . . A 832 ARG HA . 30020 1 1204 . 1 1 111 111 ARG HB2 H 1 1.46 0.01 . 2 . . . A 832 ARG HB2 . 30020 1 1205 . 1 1 111 111 ARG HB3 H 1 1.82 0.01 . 2 . . . A 832 ARG HB3 . 30020 1 1206 . 1 1 111 111 ARG HG2 H 1 1.44 0.01 . 2 . . . A 832 ARG HG2 . 30020 1 1207 . 1 1 111 111 ARG HG3 H 1 1.60 0.01 . 2 . . . A 832 ARG HG3 . 30020 1 1208 . 1 1 111 111 ARG HD2 H 1 3.10 0.01 . 2 . . . A 832 ARG HD2 . 30020 1 1209 . 1 1 111 111 ARG HD3 H 1 3.20 0.01 . 2 . . . A 832 ARG HD3 . 30020 1 1210 . 1 1 111 111 ARG C C 13 175.2 0.04 . 1 . . . A 832 ARG C . 30020 1 1211 . 1 1 111 111 ARG CA C 13 53.8 0.04 . 1 . . . A 832 ARG CA . 30020 1 1212 . 1 1 111 111 ARG CB C 13 35.0 0.04 . 1 . . . A 832 ARG CB . 30020 1 1213 . 1 1 111 111 ARG CG C 13 26.3 0.04 . 1 . . . A 832 ARG CG . 30020 1 1214 . 1 1 111 111 ARG CD C 13 43.9 0.04 . 1 . . . A 832 ARG CD . 30020 1 1215 . 1 1 111 111 ARG N N 15 117.2 0.15 . 1 . . . A 832 ARG N . 30020 1 1216 . 1 1 112 112 VAL H H 1 8.79 0.01 . 1 . . . A 833 VAL H . 30020 1 1217 . 1 1 112 112 VAL HA H 1 5.15 0.01 . 1 . . . A 833 VAL HA . 30020 1 1218 . 1 1 112 112 VAL HB H 1 1.67 0.01 . 1 . . . A 833 VAL HB . 30020 1 1219 . 1 1 112 112 VAL HG11 H 1 0.62 0.01 . 1 . . . A 833 VAL HG11 . 30020 1 1220 . 1 1 112 112 VAL HG12 H 1 0.62 0.01 . 1 . . . A 833 VAL HG12 . 30020 1 1221 . 1 1 112 112 VAL HG13 H 1 0.62 0.01 . 1 . . . A 833 VAL HG13 . 30020 1 1222 . 1 1 112 112 VAL HG21 H 1 0.67 0.01 . 1 . . . A 833 VAL HG21 . 30020 1 1223 . 1 1 112 112 VAL HG22 H 1 0.67 0.01 . 1 . . . A 833 VAL HG22 . 30020 1 1224 . 1 1 112 112 VAL HG23 H 1 0.67 0.01 . 1 . . . A 833 VAL HG23 . 30020 1 1225 . 1 1 112 112 VAL C C 13 173.2 0.04 . 1 . . . A 833 VAL C . 30020 1 1226 . 1 1 112 112 VAL CA C 13 61.2 0.04 . 1 . . . A 833 VAL CA . 30020 1 1227 . 1 1 112 112 VAL CB C 13 33.3 0.04 . 1 . . . A 833 VAL CB . 30020 1 1228 . 1 1 112 112 VAL CG1 C 13 21.7 0.04 . 1 . . . A 833 VAL CG1 . 30020 1 1229 . 1 1 112 112 VAL CG2 C 13 24.2 0.04 . 1 . . . A 833 VAL CG2 . 30020 1 1230 . 1 1 112 112 VAL N N 15 118.2 0.15 . 1 . . . A 833 VAL N . 30020 1 1231 . 1 1 113 113 ALA H H 1 8.09 0.01 . 1 . . . A 834 ALA H . 30020 1 1232 . 1 1 113 113 ALA HA H 1 5.14 0.01 . 1 . . . A 834 ALA HA . 30020 1 1233 . 1 1 113 113 ALA HB1 H 1 0.21 0.01 . 1 . . . A 834 ALA HB1 . 30020 1 1234 . 1 1 113 113 ALA HB2 H 1 0.21 0.01 . 1 . . . A 834 ALA HB2 . 30020 1 1235 . 1 1 113 113 ALA HB3 H 1 0.21 0.01 . 1 . . . A 834 ALA HB3 . 30020 1 1236 . 1 1 113 113 ALA C C 13 176.1 0.04 . 1 . . . A 834 ALA C . 30020 1 1237 . 1 1 113 113 ALA CA C 13 49.5 0.04 . 1 . . . A 834 ALA CA . 30020 1 1238 . 1 1 113 113 ALA CB C 13 21.4 0.04 . 1 . . . A 834 ALA CB . 30020 1 1239 . 1 1 113 113 ALA N N 15 128.0 0.15 . 1 . . . A 834 ALA N . 30020 1 1240 . 1 1 114 114 VAL H H 1 8.84 0.01 . 1 . . . A 835 VAL H . 30020 1 1241 . 1 1 114 114 VAL HA H 1 5.11 0.01 . 1 . . . A 835 VAL HA . 30020 1 1242 . 1 1 114 114 VAL HB H 1 1.89 0.01 . 1 . . . A 835 VAL HB . 30020 1 1243 . 1 1 114 114 VAL HG11 H 1 1.02 0.01 . 1 . . . A 835 VAL HG11 . 30020 1 1244 . 1 1 114 114 VAL HG12 H 1 1.02 0.01 . 1 . . . A 835 VAL HG12 . 30020 1 1245 . 1 1 114 114 VAL HG13 H 1 1.02 0.01 . 1 . . . A 835 VAL HG13 . 30020 1 1246 . 1 1 114 114 VAL HG21 H 1 0.92 0.01 . 1 . . . A 835 VAL HG21 . 30020 1 1247 . 1 1 114 114 VAL HG22 H 1 0.92 0.01 . 1 . . . A 835 VAL HG22 . 30020 1 1248 . 1 1 114 114 VAL HG23 H 1 0.92 0.01 . 1 . . . A 835 VAL HG23 . 30020 1 1249 . 1 1 114 114 VAL C C 13 173.7 0.04 . 1 . . . A 835 VAL C . 30020 1 1250 . 1 1 114 114 VAL CA C 13 59.3 0.04 . 1 . . . A 835 VAL CA . 30020 1 1251 . 1 1 114 114 VAL CB C 13 36.0 0.04 . 1 . . . A 835 VAL CB . 30020 1 1252 . 1 1 114 114 VAL CG1 C 13 21.6 0.04 . 1 . . . A 835 VAL CG1 . 30020 1 1253 . 1 1 114 114 VAL CG2 C 13 22.1 0.04 . 1 . . . A 835 VAL CG2 . 30020 1 1254 . 1 1 114 114 VAL N N 15 119.2 0.15 . 1 . . . A 835 VAL N . 30020 1 1255 . 1 1 115 115 GLU H H 1 9.35 0.01 . 1 . . . A 836 GLU H . 30020 1 1256 . 1 1 115 115 GLU HA H 1 5.22 0.01 . 1 . . . A 836 GLU HA . 30020 1 1257 . 1 1 115 115 GLU HB2 H 1 2.13 0.01 . 2 . . . A 836 GLU HB2 . 30020 1 1258 . 1 1 115 115 GLU HB3 H 1 2.28 0.01 . 2 . . . A 836 GLU HB3 . 30020 1 1259 . 1 1 115 115 GLU HG2 H 1 2.15 0.01 . 2 . . . A 836 GLU HG2 . 30020 1 1260 . 1 1 115 115 GLU HG3 H 1 2.52 0.01 . 2 . . . A 836 GLU HG3 . 30020 1 1261 . 1 1 115 115 GLU C C 13 174.7 0.04 . 1 . . . A 836 GLU C . 30020 1 1262 . 1 1 115 115 GLU CA C 13 55.7 0.04 . 1 . . . A 836 GLU CA . 30020 1 1263 . 1 1 115 115 GLU CB C 13 33.0 0.04 . 1 . . . A 836 GLU CB . 30020 1 1264 . 1 1 115 115 GLU CG C 13 36.8 0.04 . 1 . . . A 836 GLU CG . 30020 1 1265 . 1 1 115 115 GLU N N 15 125.9 0.15 . 1 . . . A 836 GLU N . 30020 1 1266 . 1 1 116 116 ALA H H 1 9.75 0.01 . 1 . . . A 837 ALA H . 30020 1 1267 . 1 1 116 116 ALA HA H 1 5.17 0.01 . 1 . . . A 837 ALA HA . 30020 1 1268 . 1 1 116 116 ALA HB1 H 1 1.39 0.01 . 1 . . . A 837 ALA HB1 . 30020 1 1269 . 1 1 116 116 ALA HB2 H 1 1.39 0.01 . 1 . . . A 837 ALA HB2 . 30020 1 1270 . 1 1 116 116 ALA HB3 H 1 1.39 0.01 . 1 . . . A 837 ALA HB3 . 30020 1 1271 . 1 1 116 116 ALA C C 13 174.7 0.04 . 1 . . . A 837 ALA C . 30020 1 1272 . 1 1 116 116 ALA CA C 13 50.0 0.04 . 1 . . . A 837 ALA CA . 30020 1 1273 . 1 1 116 116 ALA CB C 13 23.1 0.04 . 1 . . . A 837 ALA CB . 30020 1 1274 . 1 1 116 116 ALA N N 15 129.9 0.15 . 1 . . . A 837 ALA N . 30020 1 1275 . 1 1 117 117 VAL H H 1 8.52 0.01 . 1 . . . A 838 VAL H . 30020 1 1276 . 1 1 117 117 VAL HA H 1 4.48 0.01 . 1 . . . A 838 VAL HA . 30020 1 1277 . 1 1 117 117 VAL HB H 1 1.91 0.01 . 1 . . . A 838 VAL HB . 30020 1 1278 . 1 1 117 117 VAL HG11 H 1 0.89 0.01 . 2 . . . A 838 VAL HG11 . 30020 1 1279 . 1 1 117 117 VAL HG12 H 1 0.89 0.01 . 2 . . . A 838 VAL HG12 . 30020 1 1280 . 1 1 117 117 VAL HG13 H 1 0.89 0.01 . 2 . . . A 838 VAL HG13 . 30020 1 1281 . 1 1 117 117 VAL HG21 H 1 0.84 0.01 . 2 . . . A 838 VAL HG21 . 30020 1 1282 . 1 1 117 117 VAL HG22 H 1 0.84 0.01 . 2 . . . A 838 VAL HG22 . 30020 1 1283 . 1 1 117 117 VAL HG23 H 1 0.84 0.01 . 2 . . . A 838 VAL HG23 . 30020 1 1284 . 1 1 117 117 VAL C C 13 175.2 0.04 . 1 . . . A 838 VAL C . 30020 1 1285 . 1 1 117 117 VAL CA C 13 61.9 0.04 . 1 . . . A 838 VAL CA . 30020 1 1286 . 1 1 117 117 VAL CB C 13 34.3 0.04 . 1 . . . A 838 VAL CB . 30020 1 1287 . 1 1 117 117 VAL CG1 C 13 21.3 0.04 . 2 . . . A 838 VAL CG1 . 30020 1 1288 . 1 1 117 117 VAL CG2 C 13 21.5 0.04 . 2 . . . A 838 VAL CG2 . 30020 1 1289 . 1 1 117 117 VAL N N 15 120.9 0.15 . 1 . . . A 838 VAL N . 30020 1 1290 . 1 1 118 118 CYS H H 1 8.83 0.01 . 1 . . . A 839 CYS H . 30020 1 1291 . 1 1 118 118 CYS HA H 1 5.38 0.01 . 1 . . . A 839 CYS HA . 30020 1 1292 . 1 1 118 118 CYS HB2 H 1 2.80 0.01 . 2 . . . A 839 CYS HB2 . 30020 1 1293 . 1 1 118 118 CYS HB3 H 1 3.03 0.01 . 2 . . . A 839 CYS HB3 . 30020 1 1294 . 1 1 118 118 CYS C C 13 174.2 0.04 . 1 . . . A 839 CYS C . 30020 1 1295 . 1 1 118 118 CYS CA C 13 55.1 0.04 . 1 . . . A 839 CYS CA . 30020 1 1296 . 1 1 118 118 CYS CB C 13 44.9 0.04 . 1 . . . A 839 CYS CB . 30020 1 1297 . 1 1 118 118 CYS N N 15 125.0 0.15 . 1 . . . A 839 CYS N . 30020 1 1298 . 1 1 119 119 SER H H 1 9.33 0.01 . 1 . . . A 840 SER H . 30020 1 1299 . 1 1 119 119 SER HA H 1 5.18 0.01 . 1 . . . A 840 SER HA . 30020 1 1300 . 1 1 119 119 SER HB2 H 1 3.80 0.01 . 2 . . . A 840 SER HB2 . 30020 1 1301 . 1 1 119 119 SER HB3 H 1 3.89 0.01 . 2 . . . A 840 SER HB3 . 30020 1 1302 . 1 1 119 119 SER C C 13 174.1 0.04 . 1 . . . A 840 SER C . 30020 1 1303 . 1 1 119 119 SER CA C 13 57.3 0.04 . 1 . . . A 840 SER CA . 30020 1 1304 . 1 1 119 119 SER CB C 13 66.6 0.04 . 1 . . . A 840 SER CB . 30020 1 1305 . 1 1 119 119 SER N N 15 115.3 0.15 . 1 . . . A 840 SER N . 30020 1 1306 . 1 1 120 120 THR H H 1 8.49 0.01 . 1 . . . A 841 THR H . 30020 1 1307 . 1 1 120 120 THR HA H 1 4.37 0.01 . 1 . . . A 841 THR HA . 30020 1 1308 . 1 1 120 120 THR HB H 1 4.18 0.01 . 1 . . . A 841 THR HB . 30020 1 1309 . 1 1 120 120 THR HG21 H 1 1.31 0.01 . 1 . . . A 841 THR HG21 . 30020 1 1310 . 1 1 120 120 THR HG22 H 1 1.31 0.01 . 1 . . . A 841 THR HG22 . 30020 1 1311 . 1 1 120 120 THR HG23 H 1 1.31 0.01 . 1 . . . A 841 THR HG23 . 30020 1 1312 . 1 1 120 120 THR C C 13 174.0 0.04 . 1 . . . A 841 THR C . 30020 1 1313 . 1 1 120 120 THR CA C 13 63.1 0.04 . 1 . . . A 841 THR CA . 30020 1 1314 . 1 1 120 120 THR CB C 13 70.0 0.04 . 1 . . . A 841 THR CB . 30020 1 1315 . 1 1 120 120 THR CG2 C 13 22.1 0.04 . 1 . . . A 841 THR CG2 . 30020 1 1316 . 1 1 120 120 THR N N 15 117.3 0.15 . 1 . . . A 841 THR N . 30020 1 1317 . 1 1 121 121 ALA H H 1 8.50 0.01 . 1 . . . A 842 ALA H . 30020 1 1318 . 1 1 121 121 ALA HA H 1 4.29 0.01 . 1 . . . A 842 ALA HA . 30020 1 1319 . 1 1 121 121 ALA HB1 H 1 1.33 0.01 . 1 . . . A 842 ALA HB1 . 30020 1 1320 . 1 1 121 121 ALA HB2 H 1 1.33 0.01 . 1 . . . A 842 ALA HB2 . 30020 1 1321 . 1 1 121 121 ALA HB3 H 1 1.33 0.01 . 1 . . . A 842 ALA HB3 . 30020 1 1322 . 1 1 121 121 ALA C C 13 176.4 0.04 . 1 . . . A 842 ALA C . 30020 1 1323 . 1 1 121 121 ALA CA C 13 52.7 0.04 . 1 . . . A 842 ALA CA . 30020 1 1324 . 1 1 121 121 ALA CB C 13 19.3 0.04 . 1 . . . A 842 ALA CB . 30020 1 1325 . 1 1 121 121 ALA N N 15 128.8 0.15 . 1 . . . A 842 ALA N . 30020 1 1326 . 1 1 122 122 ALA H H 1 7.99 0.01 . 1 . . . A 843 ALA H . 30020 1 1327 . 1 1 122 122 ALA HA H 1 4.07 0.01 . 1 . . . A 843 ALA HA . 30020 1 1328 . 1 1 122 122 ALA HB1 H 1 1.28 0.01 . 1 . . . A 843 ALA HB1 . 30020 1 1329 . 1 1 122 122 ALA HB2 H 1 1.28 0.01 . 1 . . . A 843 ALA HB2 . 30020 1 1330 . 1 1 122 122 ALA HB3 H 1 1.28 0.01 . 1 . . . A 843 ALA HB3 . 30020 1 1331 . 1 1 122 122 ALA CA C 13 53.8 0.04 . 1 . . . A 843 ALA CA . 30020 1 1332 . 1 1 122 122 ALA CB C 13 20.2 0.04 . 1 . . . A 843 ALA CB . 30020 1 1333 . 1 1 122 122 ALA N N 15 129.6 0.15 . 1 . . . A 843 ALA N . 30020 1 stop_ save_