data_50084 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50084 _Entry.Title ; E6AP C-lobe ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-07 _Entry.Accession_date 2019-11-07 _Entry.Last_release_date 2019-11-07 _Entry.Original_release_date 2019-11-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Atomic assignment of the E6AP C-lobe (G761-L875)' _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 Steven Beasley . A. . 0000-0002-8702-5651 50084 2 Donald Spratt . E. . 0000-0002-0699-155X 50084 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Clark University' . 50084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 50084 '15N chemical shifts' 118 50084 '1H chemical shifts' 822 50084 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 . . 2020-07-17 . original BMRB . 50084 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50084 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32639967 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; An Angelman Syndrome Substitution in the HECT E3 Ubiquitin Ligase C-terminal Lobe of E6AP Affects Protein Stability and Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 15 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e0235925 _Citation.Page_last e0235925 _Citation.Year 2020 _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 Steven Beasley S. A. . . 50084 1 2 Chloe Kellum C. E. . . 50084 1 3 Rachel Orlomoski R. J. . . 50084 1 4 Feston Idrizi F. . . . 50084 1 5 Donald Spratt D. E. . . 50084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50084 _Assembly.ID 1 _Assembly.Name 'E6AP Clobe' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13235.1 _Assembly.Enzyme_commission_number 'EC 2.3.2.26' _Assembly.Details ; Recombinant E6AP Clobe. The first 2 residues are a cloning artifact after affinity tag cleavage; G781-L875 is the remainder based on Uniprot Q96J02. ; _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 'E6AP Clobe' 1 $entity_1 . . yes native no no . . . 50084 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 5013 . . . . . . 50084 1 yes PDB 1C4Z . . 'X-ray crystallography' 2.6 'E6AP-UBCH7 COMPLEX' . 50084 1 yes PDB 1D5F . . 'X-ray crystallography' 2.8 'E6AP HECT' . 50084 1 yes UNP Q05086H . . . . . . 50084 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ubiquitylation 50084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50084 _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 ; GSGSRNLDFQALEETTEYDG GYTRDSVLIREFWEIVHSFT DEQKRLFLQFTTGTDRAPVG GLGKLKMIIAKNGPDTERLP TSHTCFNVLLLPEYSSKEKL KERLLKAITYAKGFGML ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'sequence numbering based off UNIPROT:Q05086' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'E6AP C-lobe (G761-L875)' _Entity.Mutation . _Entity.EC_number 2.3.2.26 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13235.10 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNIPROT Q05086 . 'E6AP Clobe (G761-L875)' . . . . . . . . . . . . . . 50084 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'HECT E3 ligase' 50084 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 1 759 GLY . 50084 1 2 760 SER . 50084 1 3 761 GLY . 50084 1 4 762 SER . 50084 1 5 763 ARG . 50084 1 6 764 ASN . 50084 1 7 765 LEU . 50084 1 8 766 ASP . 50084 1 9 767 PHE . 50084 1 10 768 GLN . 50084 1 11 769 ALA . 50084 1 12 770 LEU . 50084 1 13 771 GLU . 50084 1 14 772 GLU . 50084 1 15 773 THR . 50084 1 16 774 THR . 50084 1 17 775 GLU . 50084 1 18 776 TYR . 50084 1 19 777 ASP . 50084 1 20 778 GLY . 50084 1 21 779 GLY . 50084 1 22 780 TYR . 50084 1 23 781 THR . 50084 1 24 782 ARG . 50084 1 25 783 ASP . 50084 1 26 784 SER . 50084 1 27 785 VAL . 50084 1 28 786 LEU . 50084 1 29 787 ILE . 50084 1 30 788 ARG . 50084 1 31 789 GLU . 50084 1 32 790 PHE . 50084 1 33 791 TRP . 50084 1 34 792 GLU . 50084 1 35 793 ILE . 50084 1 36 794 VAL . 50084 1 37 795 HIS . 50084 1 38 796 SER . 50084 1 39 797 PHE . 50084 1 40 798 THR . 50084 1 41 799 ASP . 50084 1 42 800 GLU . 50084 1 43 801 GLN . 50084 1 44 802 LYS . 50084 1 45 803 ARG . 50084 1 46 804 LEU . 50084 1 47 805 PHE . 50084 1 48 806 LEU . 50084 1 49 807 GLN . 50084 1 50 808 PHE . 50084 1 51 809 THR . 50084 1 52 810 THR . 50084 1 53 811 GLY . 50084 1 54 812 THR . 50084 1 55 813 ASP . 50084 1 56 814 ARG . 50084 1 57 815 ALA . 50084 1 58 816 PRO . 50084 1 59 817 VAL . 50084 1 60 818 GLY . 50084 1 61 819 GLY . 50084 1 62 820 LEU . 50084 1 63 821 GLY . 50084 1 64 822 LYS . 50084 1 65 823 LEU . 50084 1 66 824 LYS . 50084 1 67 825 MET . 50084 1 68 826 ILE . 50084 1 69 827 ILE . 50084 1 70 828 ALA . 50084 1 71 829 LYS . 50084 1 72 830 ASN . 50084 1 73 831 GLY . 50084 1 74 832 PRO . 50084 1 75 833 ASP . 50084 1 76 834 THR . 50084 1 77 835 GLU . 50084 1 78 836 ARG . 50084 1 79 837 LEU . 50084 1 80 838 PRO . 50084 1 81 839 THR . 50084 1 82 840 SER . 50084 1 83 841 HIS . 50084 1 84 842 THR . 50084 1 85 843 CYS . 50084 1 86 844 PHE . 50084 1 87 845 ASN . 50084 1 88 846 VAL . 50084 1 89 847 LEU . 50084 1 90 848 LEU . 50084 1 91 849 LEU . 50084 1 92 850 PRO . 50084 1 93 851 GLU . 50084 1 94 852 TYR . 50084 1 95 853 SER . 50084 1 96 854 SER . 50084 1 97 855 LYS . 50084 1 98 856 GLU . 50084 1 99 857 LYS . 50084 1 100 858 LEU . 50084 1 101 859 LYS . 50084 1 102 860 GLU . 50084 1 103 861 ARG . 50084 1 104 862 LEU . 50084 1 105 863 LEU . 50084 1 106 864 LYS . 50084 1 107 865 ALA . 50084 1 108 866 ILE . 50084 1 109 867 THR . 50084 1 110 868 TYR . 50084 1 111 869 ALA . 50084 1 112 870 LYS . 50084 1 113 871 GLY . 50084 1 114 872 PHE . 50084 1 115 873 GLY . 50084 1 116 874 MET . 50084 1 117 875 LEU . 50084 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 50084 1 . SER 2 2 50084 1 . GLY 3 3 50084 1 . SER 4 4 50084 1 . ARG 5 5 50084 1 . ASN 6 6 50084 1 . LEU 7 7 50084 1 . ASP 8 8 50084 1 . PHE 9 9 50084 1 . GLN 10 10 50084 1 . ALA 11 11 50084 1 . LEU 12 12 50084 1 . GLU 13 13 50084 1 . GLU 14 14 50084 1 . THR 15 15 50084 1 . THR 16 16 50084 1 . GLU 17 17 50084 1 . TYR 18 18 50084 1 . ASP 19 19 50084 1 . GLY 20 20 50084 1 . GLY 21 21 50084 1 . TYR 22 22 50084 1 . THR 23 23 50084 1 . ARG 24 24 50084 1 . ASP 25 25 50084 1 . SER 26 26 50084 1 . VAL 27 27 50084 1 . LEU 28 28 50084 1 . ILE 29 29 50084 1 . ARG 30 30 50084 1 . GLU 31 31 50084 1 . PHE 32 32 50084 1 . TRP 33 33 50084 1 . GLU 34 34 50084 1 . ILE 35 35 50084 1 . VAL 36 36 50084 1 . HIS 37 37 50084 1 . SER 38 38 50084 1 . PHE 39 39 50084 1 . THR 40 40 50084 1 . ASP 41 41 50084 1 . GLU 42 42 50084 1 . GLN 43 43 50084 1 . LYS 44 44 50084 1 . ARG 45 45 50084 1 . LEU 46 46 50084 1 . PHE 47 47 50084 1 . LEU 48 48 50084 1 . GLN 49 49 50084 1 . PHE 50 50 50084 1 . THR 51 51 50084 1 . THR 52 52 50084 1 . GLY 53 53 50084 1 . THR 54 54 50084 1 . ASP 55 55 50084 1 . ARG 56 56 50084 1 . ALA 57 57 50084 1 . PRO 58 58 50084 1 . VAL 59 59 50084 1 . GLY 60 60 50084 1 . GLY 61 61 50084 1 . LEU 62 62 50084 1 . GLY 63 63 50084 1 . LYS 64 64 50084 1 . LEU 65 65 50084 1 . LYS 66 66 50084 1 . MET 67 67 50084 1 . ILE 68 68 50084 1 . ILE 69 69 50084 1 . ALA 70 70 50084 1 . LYS 71 71 50084 1 . ASN 72 72 50084 1 . GLY 73 73 50084 1 . PRO 74 74 50084 1 . ASP 75 75 50084 1 . THR 76 76 50084 1 . GLU 77 77 50084 1 . ARG 78 78 50084 1 . LEU 79 79 50084 1 . PRO 80 80 50084 1 . THR 81 81 50084 1 . SER 82 82 50084 1 . HIS 83 83 50084 1 . THR 84 84 50084 1 . CYS 85 85 50084 1 . PHE 86 86 50084 1 . ASN 87 87 50084 1 . VAL 88 88 50084 1 . LEU 89 89 50084 1 . LEU 90 90 50084 1 . LEU 91 91 50084 1 . PRO 92 92 50084 1 . GLU 93 93 50084 1 . TYR 94 94 50084 1 . SER 95 95 50084 1 . SER 96 96 50084 1 . LYS 97 97 50084 1 . GLU 98 98 50084 1 . LYS 99 99 50084 1 . LEU 100 100 50084 1 . LYS 101 101 50084 1 . GLU 102 102 50084 1 . ARG 103 103 50084 1 . LEU 104 104 50084 1 . LEU 105 105 50084 1 . LYS 106 106 50084 1 . ALA 107 107 50084 1 . ILE 108 108 50084 1 . THR 109 109 50084 1 . TYR 110 110 50084 1 . ALA 111 111 50084 1 . LYS 112 112 50084 1 . GLY 113 113 50084 1 . PHE 114 114 50084 1 . GLY 115 115 50084 1 . MET 116 116 50084 1 . LEU 117 117 50084 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50084 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . Ube3A . 50084 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50084 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pE6AP-Clobe . . . 50084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50084 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '20 mM MES-NaOH pH6.0, 120 mM NaCl, 1 mM EDTA, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E6AP-Clobe (G761-L875)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 3.5 . . mM . . . . 50084 1 2 MES-NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 50084 1 3 NaCl 'natural abundance' . . . . . . 120 . . mM . . . . 50084 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50084 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50084 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20 mM MES-NaOH pH6.0, 120 mM NaCl, 1 mM EDTA, 10% D2O' 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' 141 . mM 50084 1 pH 6.0 . pH 50084 1 pressure 1 . atm 50084 1 temperature 298 . K 50084 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50084 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version v9.1.0-b63 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 50084 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment, data analysis, peak picking, processing, refinement' 50084 1 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 50084 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50084 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 13 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 14 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 15 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 1 16 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50084 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 50084 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50084 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50084 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50084 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 50084 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50084 1 2 '2D 1H-13C HSQC aliphatic' . . . 50084 1 3 '2D 1H-13C HSQC aromatic' . . . 50084 1 4 '3D HNCACB' . . . 50084 1 5 '3D CBCA(CO)NH' . . . 50084 1 6 '3D HNCA' . . . 50084 1 7 '3D HN(CO)CA' . . . 50084 1 8 '3D HN(CA)CO' . . . 50084 1 9 '3D HNCO' . . . 50084 1 10 '3D 1H-15N NOESY' . . . 50084 1 11 '3D 1H-13C NOESY aliphatic' . . . 50084 1 12 '3D 1H-13C NOESY aromatic' . . . 50084 1 13 '3D HCCH-TOCSY aliphatic' . . . 50084 1 14 '3D HCCH-TOCSY aromatic' . . . 50084 1 15 '3D C(CO)NH' . . . 50084 1 16 '3D H(CCO)NH' . . . 50084 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER HA H 1 4.578 0.04 . 1 . . . . . 760 S HA . 50084 1 2 . 1 . 1 2 2 SER HB2 H 1 3.949 0.04 . 1 . . . . . 760 S HB2 . 50084 1 3 . 1 . 1 2 2 SER HB3 H 1 3.949 0.04 . 1 . . . . . 760 S HB3 . 50084 1 4 . 1 . 1 2 2 SER C C 13 175.063 0.4 . 1 . . . . . 760 S C . 50084 1 5 . 1 . 1 2 2 SER CA C 13 58.652 0.4 . 1 . . . . . 760 S CA . 50084 1 6 . 1 . 1 2 2 SER CB C 13 64.030 0.4 . 1 . . . . . 760 S CB . 50084 1 7 . 1 . 1 3 3 GLY H H 1 8.656 0.04 . 1 . . . . . 761 G H . 50084 1 8 . 1 . 1 3 3 GLY HA2 H 1 4.078 0.04 . 1 . . . . . 761 G HA2 . 50084 1 9 . 1 . 1 3 3 GLY HA3 H 1 4.078 0.04 . 1 . . . . . 761 G HA3 . 50084 1 10 . 1 . 1 3 3 GLY C C 13 174.378 0.4 . 1 . . . . . 761 G C . 50084 1 11 . 1 . 1 3 3 GLY CA C 13 45.435 0.4 . 1 . . . . . 761 G CA . 50084 1 12 . 1 . 1 3 3 GLY N N 15 111.365 0.4 . 1 . . . . . 761 G N . 50084 1 13 . 1 . 1 4 4 SER H H 1 8.345 0.04 . 1 . . . . . 762 S H . 50084 1 14 . 1 . 1 4 4 SER HA H 1 4.513 0.04 . 1 . . . . . 762 S HA . 50084 1 15 . 1 . 1 4 4 SER HB2 H 1 3.944 0.04 . 1 . . . . . 762 S HB2 . 50084 1 16 . 1 . 1 4 4 SER HB3 H 1 3.944 0.04 . 1 . . . . . 762 S HB3 . 50084 1 17 . 1 . 1 4 4 SER C C 13 174.885 0.4 . 1 . . . . . 762 S C . 50084 1 18 . 1 . 1 4 4 SER CA C 13 58.584 0.4 . 1 . . . . . 762 S CA . 50084 1 19 . 1 . 1 4 4 SER CB C 13 63.980 0.4 . 1 . . . . . 762 S CB . 50084 1 20 . 1 . 1 4 4 SER N N 15 115.903 0.4 . 1 . . . . . 762 S N . 50084 1 21 . 1 . 1 5 5 ARG H H 1 8.524 0.04 . 1 . . . . . 763 R H . 50084 1 22 . 1 . 1 5 5 ARG HA H 1 4.458 0.04 . 1 . . . . . 763 R HA . 50084 1 23 . 1 . 1 5 5 ARG HB2 H 1 1.965 0.04 . 1 . . . . . 763 R HB2 . 50084 1 24 . 1 . 1 5 5 ARG HB3 H 1 1.821 0.04 . 1 . . . . . 763 R HB3 . 50084 1 25 . 1 . 1 5 5 ARG HG2 H 1 1.714 0.04 . 1 . . . . . 763 R HG2 . 50084 1 26 . 1 . 1 5 5 ARG HG3 H 1 1.648 0.04 . 1 . . . . . 763 R HG3 . 50084 1 27 . 1 . 1 5 5 ARG HD2 H 1 3.267 0.04 . 1 . . . . . 763 R HD2 . 50084 1 28 . 1 . 1 5 5 ARG HD3 H 1 3.267 0.04 . 1 . . . . . 763 R HD3 . 50084 1 29 . 1 . 1 5 5 ARG C C 13 176.147 0.4 . 1 . . . . . 763 R C . 50084 1 30 . 1 . 1 5 5 ARG CA C 13 56.249 0.4 . 1 . . . . . 763 R CA . 50084 1 31 . 1 . 1 5 5 ARG CB C 13 30.510 0.4 . 1 . . . . . 763 R CB . 50084 1 32 . 1 . 1 5 5 ARG CG C 13 27.120 0.4 . 1 . . . . . 763 R CG . 50084 1 33 . 1 . 1 5 5 ARG CD C 13 43.395 0.4 . 1 . . . . . 763 R CD . 50084 1 34 . 1 . 1 5 5 ARG N N 15 122.807 0.4 . 1 . . . . . 763 R N . 50084 1 35 . 1 . 1 6 6 ASN H H 1 8.555 0.04 . 1 . . . . . 764 N H . 50084 1 36 . 1 . 1 6 6 ASN HA H 1 4.705 0.04 . 1 . . . . . 764 N HA . 50084 1 37 . 1 . 1 6 6 ASN HB2 H 1 2.875 0.04 . 1 . . . . . 764 N HB2 . 50084 1 38 . 1 . 1 6 6 ASN HB3 H 1 2.829 0.04 . 1 . . . . . 764 N HB3 . 50084 1 39 . 1 . 1 6 6 ASN HD21 H 1 7.676 0.04 . 1 . . . . . 764 N HD21 . 50084 1 40 . 1 . 1 6 6 ASN HD22 H 1 7.007 0.04 . 1 . . . . . 764 N HD22 . 50084 1 41 . 1 . 1 6 6 ASN C C 13 175.039 0.4 . 1 . . . . . 764 N C . 50084 1 42 . 1 . 1 6 6 ASN CA C 13 53.874 0.4 . 1 . . . . . 764 N CA . 50084 1 43 . 1 . 1 6 6 ASN CB C 13 38.988 0.4 . 1 . . . . . 764 N CB . 50084 1 44 . 1 . 1 6 6 ASN CG C 13 176.868 0.4 . 1 . . . . . 764 N CG . 50084 1 45 . 1 . 1 6 6 ASN N N 15 119.304 0.4 . 1 . . . . . 764 N N . 50084 1 46 . 1 . 1 6 6 ASN ND2 N 15 112.879 0.4 . 1 . . . . . 764 N ND2 . 50084 1 47 . 1 . 1 7 7 LEU H H 1 8.549 0.04 . 1 . . . . . 765 L H . 50084 1 48 . 1 . 1 7 7 LEU HA H 1 4.485 0.04 . 1 . . . . . 765 L HA . 50084 1 49 . 1 . 1 7 7 LEU HB2 H 1 1.891 0.04 . 1 . . . . . 765 L HB2 . 50084 1 50 . 1 . 1 7 7 LEU HB3 H 1 1.511 0.04 . 1 . . . . . 765 L HB3 . 50084 1 51 . 1 . 1 7 7 LEU HG H 1 1.754 0.04 . 1 . . . . . 765 L HG . 50084 1 52 . 1 . 1 7 7 LEU HD11 H 1 1.042 0.04 . 2 . . . . . 765 L HD11 . 50084 1 53 . 1 . 1 7 7 LEU HD12 H 1 1.042 0.04 . 2 . . . . . 765 L HD12 . 50084 1 54 . 1 . 1 7 7 LEU HD13 H 1 1.042 0.04 . 2 . . . . . 765 L HD13 . 50084 1 55 . 1 . 1 7 7 LEU HD21 H 1 0.969 0.04 . 2 . . . . . 765 L HD21 . 50084 1 56 . 1 . 1 7 7 LEU HD22 H 1 0.969 0.04 . 2 . . . . . 765 L HD22 . 50084 1 57 . 1 . 1 7 7 LEU HD23 H 1 0.969 0.04 . 2 . . . . . 765 L HD23 . 50084 1 58 . 1 . 1 7 7 LEU C C 13 175.366 0.4 . 1 . . . . . 765 L C . 50084 1 59 . 1 . 1 7 7 LEU CA C 13 54.254 0.4 . 1 . . . . . 765 L CA . 50084 1 60 . 1 . 1 7 7 LEU CB C 13 42.587 0.4 . 1 . . . . . 765 L CB . 50084 1 61 . 1 . 1 7 7 LEU CG C 13 26.796 0.4 . 1 . . . . . 765 L CG . 50084 1 62 . 1 . 1 7 7 LEU CD1 C 13 25.880 0.4 . 2 . . . . . 765 L CD1 . 50084 1 63 . 1 . 1 7 7 LEU CD2 C 13 24.015 0.4 . 2 . . . . . 765 L CD2 . 50084 1 64 . 1 . 1 7 7 LEU N N 15 122.774 0.4 . 1 . . . . . 765 L N . 50084 1 65 . 1 . 1 8 8 ASP H H 1 8.226 0.04 . 1 . . . . . 766 D H . 50084 1 66 . 1 . 1 8 8 ASP HA H 1 4.882 0.04 . 1 . . . . . 766 D HA . 50084 1 67 . 1 . 1 8 8 ASP HB2 H 1 3.111 0.04 . 1 . . . . . 766 D HB2 . 50084 1 68 . 1 . 1 8 8 ASP HB3 H 1 2.697 0.04 . 1 . . . . . 766 D HB3 . 50084 1 69 . 1 . 1 8 8 ASP C C 13 176.354 0.4 . 1 . . . . . 766 D C . 50084 1 70 . 1 . 1 8 8 ASP CA C 13 53.482 0.4 . 1 . . . . . 766 D CA . 50084 1 71 . 1 . 1 8 8 ASP CB C 13 40.917 0.4 . 1 . . . . . 766 D CB . 50084 1 72 . 1 . 1 8 8 ASP N N 15 122.335 0.4 . 1 . . . . . 766 D N . 50084 1 73 . 1 . 1 9 9 PHE H H 1 9.392 0.04 . 1 . . . . . 767 F H . 50084 1 74 . 1 . 1 9 9 PHE HA H 1 4.619 0.04 . 1 . . . . . 767 F HA . 50084 1 75 . 1 . 1 9 9 PHE HB2 H 1 3.546 0.04 . 1 . . . . . 767 F HB2 . 50084 1 76 . 1 . 1 9 9 PHE HB3 H 1 3.383 0.04 . 1 . . . . . 767 F HB3 . 50084 1 77 . 1 . 1 9 9 PHE HD1 H 1 7.168 0.04 . 3 . . . . . 767 F HD1 . 50084 1 78 . 1 . 1 9 9 PHE HD2 H 1 7.168 0.04 . 3 . . . . . 767 F HD2 . 50084 1 79 . 1 . 1 9 9 PHE C C 13 178.255 0.4 . 1 . . . . . 767 F C . 50084 1 80 . 1 . 1 9 9 PHE CA C 13 58.691 0.4 . 1 . . . . . 767 F CA . 50084 1 81 . 1 . 1 9 9 PHE CB C 13 38.261 0.4 . 1 . . . . . 767 F CB . 50084 1 82 . 1 . 1 9 9 PHE CD1 C 13 130.321 0.4 . 3 . . . . . 767 F CD1 . 50084 1 83 . 1 . 1 9 9 PHE CD2 C 13 130.321 0.4 . 3 . . . . . 767 F CD2 . 50084 1 84 . 1 . 1 9 9 PHE N N 15 125.875 0.4 . 1 . . . . . 767 F N . 50084 1 85 . 1 . 1 10 10 GLN H H 1 8.850 0.04 . 1 . . . . . 768 Q H . 50084 1 86 . 1 . 1 10 10 GLN HA H 1 4.111 0.04 . 1 . . . . . 768 Q HA . 50084 1 87 . 1 . 1 10 10 GLN HB2 H 1 2.370 0.04 . 1 . . . . . 768 Q HB2 . 50084 1 88 . 1 . 1 10 10 GLN HB3 H 1 2.291 0.04 . 1 . . . . . 768 Q HB3 . 50084 1 89 . 1 . 1 10 10 GLN HG2 H 1 2.248 0.04 . 1 . . . . . 768 Q HG2 . 50084 1 90 . 1 . 1 10 10 GLN HG3 H 1 2.186 0.04 . 1 . . . . . 768 Q HG3 . 50084 1 91 . 1 . 1 10 10 GLN HE21 H 1 7.548 0.04 . 1 . . . . . 768 Q HE21 . 50084 1 92 . 1 . 1 10 10 GLN HE22 H 1 6.604 0.04 . 1 . . . . . 768 Q HE22 . 50084 1 93 . 1 . 1 10 10 GLN C C 13 177.949 0.4 . 1 . . . . . 768 Q C . 50084 1 94 . 1 . 1 10 10 GLN CA C 13 60.086 0.4 . 1 . . . . . 768 Q CA . 50084 1 95 . 1 . 1 10 10 GLN CB C 13 27.584 0.4 . 1 . . . . . 768 Q CB . 50084 1 96 . 1 . 1 10 10 GLN CG C 13 33.901 0.4 . 1 . . . . . 768 Q CG . 50084 1 97 . 1 . 1 10 10 GLN CD C 13 179.959 0.4 . 1 . . . . . 768 Q CD . 50084 1 98 . 1 . 1 10 10 GLN N N 15 124.925 0.4 . 1 . . . . . 768 Q N . 50084 1 99 . 1 . 1 10 10 GLN NE2 N 15 112.197 0.4 . 1 . . . . . 768 Q NE2 . 50084 1 100 . 1 . 1 11 11 ALA H H 1 7.768 0.04 . 1 . . . . . 769 A H . 50084 1 101 . 1 . 1 11 11 ALA HA H 1 4.114 0.04 . 1 . . . . . 769 A HA . 50084 1 102 . 1 . 1 11 11 ALA HB1 H 1 1.419 0.04 . 1 . . . . . 769 A HB1 . 50084 1 103 . 1 . 1 11 11 ALA HB2 H 1 1.419 0.04 . 1 . . . . . 769 A HB2 . 50084 1 104 . 1 . 1 11 11 ALA HB3 H 1 1.419 0.04 . 1 . . . . . 769 A HB3 . 50084 1 105 . 1 . 1 11 11 ALA C C 13 179.920 0.4 . 1 . . . . . 769 A C . 50084 1 106 . 1 . 1 11 11 ALA CA C 13 54.358 0.4 . 1 . . . . . 769 A CA . 50084 1 107 . 1 . 1 11 11 ALA CB C 13 18.182 0.4 . 1 . . . . . 769 A CB . 50084 1 108 . 1 . 1 11 11 ALA N N 15 121.545 0.4 . 1 . . . . . 769 A N . 50084 1 109 . 1 . 1 12 12 LEU H H 1 6.928 0.04 . 1 . . . . . 770 L H . 50084 1 110 . 1 . 1 12 12 LEU HA H 1 4.020 0.04 . 1 . . . . . 770 L HA . 50084 1 111 . 1 . 1 12 12 LEU HB2 H 1 2.039 0.04 . 1 . . . . . 770 L HB2 . 50084 1 112 . 1 . 1 12 12 LEU HB3 H 1 1.264 0.04 . 1 . . . . . 770 L HB3 . 50084 1 113 . 1 . 1 12 12 LEU HG H 1 1.752 0.04 . 1 . . . . . 770 L HG . 50084 1 114 . 1 . 1 12 12 LEU HD11 H 1 0.720 0.04 . 2 . . . . . 770 L HD11 . 50084 1 115 . 1 . 1 12 12 LEU HD12 H 1 0.720 0.04 . 2 . . . . . 770 L HD12 . 50084 1 116 . 1 . 1 12 12 LEU HD13 H 1 0.720 0.04 . 2 . . . . . 770 L HD13 . 50084 1 117 . 1 . 1 12 12 LEU HD21 H 1 1.013 0.04 . 2 . . . . . 770 L HD21 . 50084 1 118 . 1 . 1 12 12 LEU HD22 H 1 1.013 0.04 . 2 . . . . . 770 L HD22 . 50084 1 119 . 1 . 1 12 12 LEU HD23 H 1 1.013 0.04 . 2 . . . . . 770 L HD23 . 50084 1 120 . 1 . 1 12 12 LEU C C 13 179.169 0.4 . 1 . . . . . 770 L C . 50084 1 121 . 1 . 1 12 12 LEU CA C 13 56.961 0.4 . 1 . . . . . 770 L CA . 50084 1 122 . 1 . 1 12 12 LEU CB C 13 42.819 0.4 . 1 . . . . . 770 L CB . 50084 1 123 . 1 . 1 12 12 LEU CG C 13 28.528 0.4 . 1 . . . . . 770 L CG . 50084 1 124 . 1 . 1 12 12 LEU CD1 C 13 25.784 0.4 . 2 . . . . . 770 L CD1 . 50084 1 125 . 1 . 1 12 12 LEU CD2 C 13 24.526 0.4 . 2 . . . . . 770 L CD2 . 50084 1 126 . 1 . 1 12 12 LEU N N 15 116.201 0.4 . 1 . . . . . 770 L N . 50084 1 127 . 1 . 1 13 13 GLU H H 1 7.855 0.04 . 1 . . . . . 771 E H . 50084 1 128 . 1 . 1 13 13 GLU HA H 1 3.123 0.04 . 1 . . . . . 771 E HA . 50084 1 129 . 1 . 1 13 13 GLU HB2 H 1 1.599 0.04 . 1 . . . . . 771 E HB2 . 50084 1 130 . 1 . 1 13 13 GLU HB3 H 1 0.746 0.04 . 1 . . . . . 771 E HB3 . 50084 1 131 . 1 . 1 13 13 GLU HG2 H 1 1.377 0.04 . 1 . . . . . 771 E HG2 . 50084 1 132 . 1 . 1 13 13 GLU HG3 H 1 0.425 0.04 . 1 . . . . . 771 E HG3 . 50084 1 133 . 1 . 1 13 13 GLU C C 13 178.912 0.4 . 1 . . . . . 771 E C . 50084 1 134 . 1 . 1 13 13 GLU CA C 13 59.918 0.4 . 1 . . . . . 771 E CA . 50084 1 135 . 1 . 1 13 13 GLU CB C 13 27.964 0.4 . 1 . . . . . 771 E CB . 50084 1 136 . 1 . 1 13 13 GLU CG C 13 34.101 0.4 . 1 . . . . . 771 E CG . 50084 1 137 . 1 . 1 13 13 GLU N N 15 121.860 0.4 . 1 . . . . . 771 E N . 50084 1 138 . 1 . 1 14 14 GLU H H 1 7.680 0.04 . 1 . . . . . 772 E H . 50084 1 139 . 1 . 1 14 14 GLU HA H 1 4.039 0.04 . 1 . . . . . 772 E HA . 50084 1 140 . 1 . 1 14 14 GLU HB2 H 1 2.110 0.04 . 1 . . . . . 772 E HB2 . 50084 1 141 . 1 . 1 14 14 GLU HB3 H 1 2.110 0.04 . 1 . . . . . 772 E HB3 . 50084 1 142 . 1 . 1 14 14 GLU HG2 H 1 2.407 0.04 . 1 . . . . . 772 E HG2 . 50084 1 143 . 1 . 1 14 14 GLU HG3 H 1 2.292 0.04 . 1 . . . . . 772 E HG3 . 50084 1 144 . 1 . 1 14 14 GLU C C 13 178.083 0.4 . 1 . . . . . 772 E C . 50084 1 145 . 1 . 1 14 14 GLU CA C 13 58.864 0.4 . 1 . . . . . 772 E CA . 50084 1 146 . 1 . 1 14 14 GLU CB C 13 29.815 0.4 . 1 . . . . . 772 E CB . 50084 1 147 . 1 . 1 14 14 GLU CG C 13 36.075 0.4 . 1 . . . . . 772 E CG . 50084 1 148 . 1 . 1 14 14 GLU N N 15 116.564 0.4 . 1 . . . . . 772 E N . 50084 1 149 . 1 . 1 15 15 THR H H 1 7.306 0.04 . 1 . . . . . 773 T H . 50084 1 150 . 1 . 1 15 15 THR HA H 1 4.560 0.04 . 1 . . . . . 773 T HA . 50084 1 151 . 1 . 1 15 15 THR HB H 1 4.546 0.04 . 1 . . . . . 773 T HB . 50084 1 152 . 1 . 1 15 15 THR HG21 H 1 1.352 0.04 . 1 . . . . . 773 T HG21 . 50084 1 153 . 1 . 1 15 15 THR HG22 H 1 1.352 0.04 . 1 . . . . . 773 T HG22 . 50084 1 154 . 1 . 1 15 15 THR HG23 H 1 1.352 0.04 . 1 . . . . . 773 T HG23 . 50084 1 155 . 1 . 1 15 15 THR C C 13 174.845 0.4 . 1 . . . . . 773 T C . 50084 1 156 . 1 . 1 15 15 THR CA C 13 60.901 0.4 . 1 . . . . . 773 T CA . 50084 1 157 . 1 . 1 15 15 THR CB C 13 70.022 0.4 . 1 . . . . . 773 T CB . 50084 1 158 . 1 . 1 15 15 THR CG2 C 13 22.010 0.4 . 1 . . . . . 773 T CG2 . 50084 1 159 . 1 . 1 15 15 THR N N 15 106.197 0.4 . 1 . . . . . 773 T N . 50084 1 160 . 1 . 1 16 16 THR H H 1 7.298 0.04 . 1 . . . . . 774 T H . 50084 1 161 . 1 . 1 16 16 THR HA H 1 4.596 0.04 . 1 . . . . . 774 T HA . 50084 1 162 . 1 . 1 16 16 THR HB H 1 4.215 0.04 . 1 . . . . . 774 T HB . 50084 1 163 . 1 . 1 16 16 THR HG21 H 1 1.049 0.04 . 1 . . . . . 774 T HG21 . 50084 1 164 . 1 . 1 16 16 THR HG22 H 1 1.049 0.04 . 1 . . . . . 774 T HG22 . 50084 1 165 . 1 . 1 16 16 THR HG23 H 1 1.049 0.04 . 1 . . . . . 774 T HG23 . 50084 1 166 . 1 . 1 16 16 THR C C 13 173.173 0.4 . 1 . . . . . 774 T C . 50084 1 167 . 1 . 1 16 16 THR CA C 13 65.550 0.4 . 1 . . . . . 774 T CA . 50084 1 168 . 1 . 1 16 16 THR CB C 13 69.799 0.4 . 1 . . . . . 774 T CB . 50084 1 169 . 1 . 1 16 16 THR CG2 C 13 22.533 0.4 . 1 . . . . . 774 T CG2 . 50084 1 170 . 1 . 1 16 16 THR N N 15 122.408 0.4 . 1 . . . . . 774 T N . 50084 1 171 . 1 . 1 17 17 GLU H H 1 8.425 0.04 . 1 . . . . . 775 E H . 50084 1 172 . 1 . 1 17 17 GLU HA H 1 4.588 0.04 . 1 . . . . . 775 E HA . 50084 1 173 . 1 . 1 17 17 GLU HB2 H 1 2.167 0.04 . 1 . . . . . 775 E HB2 . 50084 1 174 . 1 . 1 17 17 GLU HB3 H 1 1.737 0.04 . 1 . . . . . 775 E HB3 . 50084 1 175 . 1 . 1 17 17 GLU HG2 H 1 2.363 0.04 . 1 . . . . . 775 E HG2 . 50084 1 176 . 1 . 1 17 17 GLU HG3 H 1 2.297 0.04 . 1 . . . . . 775 E HG3 . 50084 1 177 . 1 . 1 17 17 GLU C C 13 173.518 0.4 . 1 . . . . . 775 E C . 50084 1 178 . 1 . 1 17 17 GLU CA C 13 54.244 0.4 . 1 . . . . . 775 E CA . 50084 1 179 . 1 . 1 17 17 GLU CB C 13 32.747 0.4 . 1 . . . . . 775 E CB . 50084 1 180 . 1 . 1 17 17 GLU CG C 13 36.324 0.4 . 1 . . . . . 775 E CG . 50084 1 181 . 1 . 1 17 17 GLU N N 15 126.233 0.4 . 1 . . . . . 775 E N . 50084 1 182 . 1 . 1 18 18 TYR H H 1 8.319 0.04 . 1 . . . . . 776 Y H . 50084 1 183 . 1 . 1 18 18 TYR HA H 1 5.546 0.04 . 1 . . . . . 776 Y HA . 50084 1 184 . 1 . 1 18 18 TYR HB2 H 1 3.014 0.04 . 1 . . . . . 776 Y HB2 . 50084 1 185 . 1 . 1 18 18 TYR HB3 H 1 2.632 0.04 . 1 . . . . . 776 Y HB3 . 50084 1 186 . 1 . 1 18 18 TYR HD1 H 1 7.141 0.04 . 3 . . . . . 776 Y HD1 . 50084 1 187 . 1 . 1 18 18 TYR HD2 H 1 7.141 0.04 . 3 . . . . . 776 Y HD2 . 50084 1 188 . 1 . 1 18 18 TYR HE1 H 1 6.718 0.04 . 3 . . . . . 776 Y HE1 . 50084 1 189 . 1 . 1 18 18 TYR HE2 H 1 6.718 0.04 . 3 . . . . . 776 Y HE2 . 50084 1 190 . 1 . 1 18 18 TYR C C 13 175.531 0.4 . 1 . . . . . 776 Y C . 50084 1 191 . 1 . 1 18 18 TYR CA C 13 57.556 0.4 . 1 . . . . . 776 Y CA . 50084 1 192 . 1 . 1 18 18 TYR CB C 13 43.159 0.4 . 1 . . . . . 776 Y CB . 50084 1 193 . 1 . 1 18 18 TYR CD1 C 13 132.811 0.4 . 3 . . . . . 776 Y CD1 . 50084 1 194 . 1 . 1 18 18 TYR CD2 C 13 132.811 0.4 . 3 . . . . . 776 Y CD2 . 50084 1 195 . 1 . 1 18 18 TYR CE1 C 13 118.455 0.4 . 3 . . . . . 776 Y CE1 . 50084 1 196 . 1 . 1 18 18 TYR CE2 C 13 118.455 0.4 . 3 . . . . . 776 Y CE2 . 50084 1 197 . 1 . 1 18 18 TYR N N 15 116.169 0.4 . 1 . . . . . 776 Y N . 50084 1 198 . 1 . 1 19 19 ASP H H 1 8.870 0.04 . 1 . . . . . 777 D H . 50084 1 199 . 1 . 1 19 19 ASP HA H 1 5.456 0.04 . 1 . . . . . 777 D HA . 50084 1 200 . 1 . 1 19 19 ASP HB2 H 1 2.488 0.04 . 1 . . . . . 777 D HB2 . 50084 1 201 . 1 . 1 19 19 ASP HB3 H 1 2.488 0.04 . 1 . . . . . 777 D HB3 . 50084 1 202 . 1 . 1 19 19 ASP C C 13 178.476 0.4 . 1 . . . . . 777 D C . 50084 1 203 . 1 . 1 19 19 ASP CA C 13 52.583 0.4 . 1 . . . . . 777 D CA . 50084 1 204 . 1 . 1 19 19 ASP CB C 13 45.824 0.4 . 1 . . . . . 777 D CB . 50084 1 205 . 1 . 1 19 19 ASP N N 15 120.522 0.4 . 1 . . . . . 777 D N . 50084 1 206 . 1 . 1 20 20 GLY H H 1 9.122 0.04 . 1 . . . . . 778 G H . 50084 1 207 . 1 . 1 20 20 GLY HA2 H 1 3.987 0.04 . 1 . . . . . 778 G HA2 . 50084 1 208 . 1 . 1 20 20 GLY HA3 H 1 3.987 0.04 . 1 . . . . . 778 G HA3 . 50084 1 209 . 1 . 1 20 20 GLY C C 13 173.525 0.4 . 1 . . . . . 778 G C . 50084 1 210 . 1 . 1 20 20 GLY CA C 13 46.751 0.4 . 1 . . . . . 778 G CA . 50084 1 211 . 1 . 1 20 20 GLY N N 15 109.197 0.4 . 1 . . . . . 778 G N . 50084 1 212 . 1 . 1 21 21 GLY H H 1 8.956 0.04 . 1 . . . . . 779 G H . 50084 1 213 . 1 . 1 21 21 GLY HA2 H 1 4.547 0.04 . 1 . . . . . 779 G HA2 . 50084 1 214 . 1 . 1 21 21 GLY HA3 H 1 3.562 0.04 . 1 . . . . . 779 G HA3 . 50084 1 215 . 1 . 1 21 21 GLY C C 13 175.886 0.4 . 1 . . . . . 779 G C . 50084 1 216 . 1 . 1 21 21 GLY CA C 13 44.212 0.4 . 1 . . . . . 779 G CA . 50084 1 217 . 1 . 1 21 21 GLY N N 15 107.420 0.4 . 1 . . . . . 779 G N . 50084 1 218 . 1 . 1 22 22 TYR H H 1 6.563 0.04 . 1 . . . . . 780 Y H . 50084 1 219 . 1 . 1 22 22 TYR HA H 1 5.162 0.04 . 1 . . . . . 780 Y HA . 50084 1 220 . 1 . 1 22 22 TYR HB2 H 1 3.129 0.04 . 1 . . . . . 780 Y HB2 . 50084 1 221 . 1 . 1 22 22 TYR HB3 H 1 3.129 0.04 . 1 . . . . . 780 Y HB3 . 50084 1 222 . 1 . 1 22 22 TYR HD1 H 1 7.172 0.04 . 3 . . . . . 780 Y HD1 . 50084 1 223 . 1 . 1 22 22 TYR HD2 H 1 7.172 0.04 . 3 . . . . . 780 Y HD2 . 50084 1 224 . 1 . 1 22 22 TYR C C 13 175.479 0.4 . 1 . . . . . 780 Y C . 50084 1 225 . 1 . 1 22 22 TYR CA C 13 55.138 0.4 . 1 . . . . . 780 Y CA . 50084 1 226 . 1 . 1 22 22 TYR CB C 13 39.648 0.4 . 1 . . . . . 780 Y CB . 50084 1 227 . 1 . 1 22 22 TYR N N 15 118.039 0.4 . 1 . . . . . 780 Y N . 50084 1 228 . 1 . 1 23 23 THR H H 1 8.452 0.04 . 1 . . . . . 781 T H . 50084 1 229 . 1 . 1 23 23 THR HA H 1 4.495 0.04 . 1 . . . . . 781 T HA . 50084 1 230 . 1 . 1 23 23 THR HB H 1 4.486 0.04 . 1 . . . . . 781 T HB . 50084 1 231 . 1 . 1 23 23 THR HG21 H 1 1.196 0.04 . 1 . . . . . 781 T HG21 . 50084 1 232 . 1 . 1 23 23 THR HG22 H 1 1.196 0.04 . 1 . . . . . 781 T HG22 . 50084 1 233 . 1 . 1 23 23 THR HG23 H 1 1.196 0.04 . 1 . . . . . 781 T HG23 . 50084 1 234 . 1 . 1 23 23 THR C C 13 174.194 0.4 . 1 . . . . . 781 T C . 50084 1 235 . 1 . 1 23 23 THR CA C 13 59.769 0.4 . 1 . . . . . 781 T CA . 50084 1 236 . 1 . 1 23 23 THR CB C 13 72.896 0.4 . 1 . . . . . 781 T CB . 50084 1 237 . 1 . 1 23 23 THR CG2 C 13 21.408 0.4 . 1 . . . . . 781 T CG2 . 50084 1 238 . 1 . 1 23 23 THR N N 15 109.616 0.4 . 1 . . . . . 781 T N . 50084 1 239 . 1 . 1 24 24 ARG H H 1 8.701 0.04 . 1 . . . . . 782 R H . 50084 1 240 . 1 . 1 24 24 ARG HA H 1 3.540 0.04 . 1 . . . . . 782 R HA . 50084 1 241 . 1 . 1 24 24 ARG HB2 H 1 1.923 0.04 . 1 . . . . . 782 R HB2 . 50084 1 242 . 1 . 1 24 24 ARG HB3 H 1 1.853 0.04 . 1 . . . . . 782 R HB3 . 50084 1 243 . 1 . 1 24 24 ARG HG2 H 1 1.733 0.04 . 1 . . . . . 782 R HG2 . 50084 1 244 . 1 . 1 24 24 ARG HG3 H 1 1.680 0.04 . 1 . . . . . 782 R HG3 . 50084 1 245 . 1 . 1 24 24 ARG HD2 H 1 3.312 0.04 . 1 . . . . . 782 R HD2 . 50084 1 246 . 1 . 1 24 24 ARG HD3 H 1 3.301 0.04 . 1 . . . . . 782 R HD3 . 50084 1 247 . 1 . 1 24 24 ARG C C 13 175.144 0.4 . 1 . . . . . 782 R C . 50084 1 248 . 1 . 1 24 24 ARG CA C 13 58.157 0.4 . 1 . . . . . 782 R CA . 50084 1 249 . 1 . 1 24 24 ARG CB C 13 29.947 0.4 . 1 . . . . . 782 R CB . 50084 1 250 . 1 . 1 24 24 ARG CG C 13 26.805 0.4 . 1 . . . . . 782 R CG . 50084 1 251 . 1 . 1 24 24 ARG CD C 13 43.520 0.4 . 1 . . . . . 782 R CD . 50084 1 252 . 1 . 1 24 24 ARG N N 15 118.186 0.4 . 1 . . . . . 782 R N . 50084 1 253 . 1 . 1 25 25 ASP H H 1 7.693 0.04 . 1 . . . . . 783 D H . 50084 1 254 . 1 . 1 25 25 ASP HA H 1 4.696 0.04 . 1 . . . . . 783 D HA . 50084 1 255 . 1 . 1 25 25 ASP HB2 H 1 2.787 0.04 . 1 . . . . . 783 D HB2 . 50084 1 256 . 1 . 1 25 25 ASP HB3 H 1 2.381 0.04 . 1 . . . . . 783 D HB3 . 50084 1 257 . 1 . 1 25 25 ASP C C 13 176.500 0.4 . 1 . . . . . 783 D C . 50084 1 258 . 1 . 1 25 25 ASP CA C 13 53.651 0.4 . 1 . . . . . 783 D CA . 50084 1 259 . 1 . 1 25 25 ASP CB C 13 42.042 0.4 . 1 . . . . . 783 D CB . 50084 1 260 . 1 . 1 25 25 ASP N N 15 113.136 0.4 . 1 . . . . . 783 D N . 50084 1 261 . 1 . 1 26 26 SER H H 1 7.686 0.04 . 1 . . . . . 784 S H . 50084 1 262 . 1 . 1 26 26 SER HA H 1 4.299 0.04 . 1 . . . . . 784 S HA . 50084 1 263 . 1 . 1 26 26 SER HB2 H 1 3.905 0.04 . 1 . . . . . 784 S HB2 . 50084 1 264 . 1 . 1 26 26 SER HB3 H 1 3.905 0.04 . 1 . . . . . 784 S HB3 . 50084 1 265 . 1 . 1 26 26 SER C C 13 174.872 0.4 . 1 . . . . . 784 S C . 50084 1 266 . 1 . 1 26 26 SER CA C 13 60.382 0.4 . 1 . . . . . 784 S CA . 50084 1 267 . 1 . 1 26 26 SER CB C 13 63.148 0.4 . 1 . . . . . 784 S CB . 50084 1 268 . 1 . 1 26 26 SER N N 15 120.116 0.4 . 1 . . . . . 784 S N . 50084 1 269 . 1 . 1 27 27 VAL H H 1 8.912 0.04 . 1 . . . . . 785 V H . 50084 1 270 . 1 . 1 27 27 VAL HA H 1 3.518 0.04 . 1 . . . . . 785 V HA . 50084 1 271 . 1 . 1 27 27 VAL HB H 1 2.084 0.04 . 1 . . . . . 785 V HB . 50084 1 272 . 1 . 1 27 27 VAL HG11 H 1 1.143 0.04 . 2 . . . . . 785 V HG11 . 50084 1 273 . 1 . 1 27 27 VAL HG12 H 1 1.143 0.04 . 2 . . . . . 785 V HG12 . 50084 1 274 . 1 . 1 27 27 VAL HG13 H 1 1.143 0.04 . 2 . . . . . 785 V HG13 . 50084 1 275 . 1 . 1 27 27 VAL HG21 H 1 0.934 0.04 . 2 . . . . . 785 V HG21 . 50084 1 276 . 1 . 1 27 27 VAL HG22 H 1 0.934 0.04 . 2 . . . . . 785 V HG22 . 50084 1 277 . 1 . 1 27 27 VAL HG23 H 1 0.934 0.04 . 2 . . . . . 785 V HG23 . 50084 1 278 . 1 . 1 27 27 VAL C C 13 178.000 0.4 . 1 . . . . . 785 V C . 50084 1 279 . 1 . 1 27 27 VAL CA C 13 67.277 0.4 . 1 . . . . . 785 V CA . 50084 1 280 . 1 . 1 27 27 VAL CB C 13 31.548 0.4 . 1 . . . . . 785 V CB . 50084 1 281 . 1 . 1 27 27 VAL CG1 C 13 22.650 0.4 . 2 . . . . . 785 V CG1 . 50084 1 282 . 1 . 1 27 27 VAL CG2 C 13 20.627 0.4 . 2 . . . . . 785 V CG2 . 50084 1 283 . 1 . 1 27 27 VAL N N 15 128.044 0.4 . 1 . . . . . 785 V N . 50084 1 284 . 1 . 1 28 28 LEU H H 1 8.458 0.04 . 1 . . . . . 786 L H . 50084 1 285 . 1 . 1 28 28 LEU HA H 1 4.175 0.04 . 1 . . . . . 786 L HA . 50084 1 286 . 1 . 1 28 28 LEU HB2 H 1 1.865 0.04 . 1 . . . . . 786 L HB2 . 50084 1 287 . 1 . 1 28 28 LEU HB3 H 1 1.419 0.04 . 1 . . . . . 786 L HB3 . 50084 1 288 . 1 . 1 28 28 LEU HG H 1 1.176 0.04 . 1 . . . . . 786 L HG . 50084 1 289 . 1 . 1 28 28 LEU HD11 H 1 1.169 0.04 . 2 . . . . . 786 L HD11 . 50084 1 290 . 1 . 1 28 28 LEU HD12 H 1 1.169 0.04 . 2 . . . . . 786 L HD12 . 50084 1 291 . 1 . 1 28 28 LEU HD13 H 1 1.169 0.04 . 2 . . . . . 786 L HD13 . 50084 1 292 . 1 . 1 28 28 LEU HD21 H 1 0.986 0.04 . 2 . . . . . 786 L HD21 . 50084 1 293 . 1 . 1 28 28 LEU HD22 H 1 0.986 0.04 . 2 . . . . . 786 L HD22 . 50084 1 294 . 1 . 1 28 28 LEU HD23 H 1 0.986 0.04 . 2 . . . . . 786 L HD23 . 50084 1 295 . 1 . 1 28 28 LEU C C 13 179.092 0.4 . 1 . . . . . 786 L C . 50084 1 296 . 1 . 1 28 28 LEU CA C 13 56.351 0.4 . 1 . . . . . 786 L CA . 50084 1 297 . 1 . 1 28 28 LEU CB C 13 42.036 0.4 . 1 . . . . . 786 L CB . 50084 1 298 . 1 . 1 28 28 LEU CG C 13 27.751 0.4 . 1 . . . . . 786 L CG . 50084 1 299 . 1 . 1 28 28 LEU CD1 C 13 25.853 0.4 . 2 . . . . . 786 L CD1 . 50084 1 300 . 1 . 1 28 28 LEU CD2 C 13 24.623 0.4 . 2 . . . . . 786 L CD2 . 50084 1 301 . 1 . 1 28 28 LEU N N 15 118.779 0.4 . 1 . . . . . 786 L N . 50084 1 302 . 1 . 1 29 29 ILE H H 1 6.318 0.04 . 1 . . . . . 787 I H . 50084 1 303 . 1 . 1 29 29 ILE HA H 1 3.659 0.04 . 1 . . . . . 787 I HA . 50084 1 304 . 1 . 1 29 29 ILE HB H 1 2.231 0.04 . 1 . . . . . 787 I HB . 50084 1 305 . 1 . 1 29 29 ILE HG12 H 1 0.947 0.04 . 1 . . . . . 787 I HG12 . 50084 1 306 . 1 . 1 29 29 ILE HG13 H 1 0.947 0.04 . 1 . . . . . 787 I HG13 . 50084 1 307 . 1 . 1 29 29 ILE HG21 H 1 1.008 0.04 . 1 . . . . . 787 I HG21 . 50084 1 308 . 1 . 1 29 29 ILE HG22 H 1 1.008 0.04 . 1 . . . . . 787 I HG22 . 50084 1 309 . 1 . 1 29 29 ILE HG23 H 1 1.008 0.04 . 1 . . . . . 787 I HG23 . 50084 1 310 . 1 . 1 29 29 ILE HD11 H 1 -0.034 0.04 . 1 . . . . . 787 I HD11 . 50084 1 311 . 1 . 1 29 29 ILE HD12 H 1 -0.034 0.04 . 1 . . . . . 787 I HD12 . 50084 1 312 . 1 . 1 29 29 ILE HD13 H 1 -0.034 0.04 . 1 . . . . . 787 I HD13 . 50084 1 313 . 1 . 1 29 29 ILE C C 13 177.844 0.4 . 1 . . . . . 787 I C . 50084 1 314 . 1 . 1 29 29 ILE CA C 13 59.652 0.4 . 1 . . . . . 787 I CA . 50084 1 315 . 1 . 1 29 29 ILE CB C 13 34.781 0.4 . 1 . . . . . 787 I CB . 50084 1 316 . 1 . 1 29 29 ILE CG1 C 13 26.028 0.4 . 1 . . . . . 787 I CG1 . 50084 1 317 . 1 . 1 29 29 ILE CG2 C 13 19.263 0.4 . 1 . . . . . 787 I CG2 . 50084 1 318 . 1 . 1 29 29 ILE CD1 C 13 7.363 0.4 . 1 . . . . . 787 I CD1 . 50084 1 319 . 1 . 1 29 29 ILE N N 15 115.805 0.4 . 1 . . . . . 787 I N . 50084 1 320 . 1 . 1 30 30 ARG H H 1 8.260 0.04 . 1 . . . . . 788 R H . 50084 1 321 . 1 . 1 30 30 ARG HA H 1 4.241 0.04 . 1 . . . . . 788 R HA . 50084 1 322 . 1 . 1 30 30 ARG HB2 H 1 2.101 0.04 . 1 . . . . . 788 R HB2 . 50084 1 323 . 1 . 1 30 30 ARG HB3 H 1 1.972 0.04 . 1 . . . . . 788 R HB3 . 50084 1 324 . 1 . 1 30 30 ARG HG2 H 1 1.847 0.04 . 1 . . . . . 788 R HG2 . 50084 1 325 . 1 . 1 30 30 ARG HG3 H 1 1.678 0.04 . 1 . . . . . 788 R HG3 . 50084 1 326 . 1 . 1 30 30 ARG HD2 H 1 3.320 0.04 . 1 . . . . . 788 R HD2 . 50084 1 327 . 1 . 1 30 30 ARG HD3 H 1 3.320 0.04 . 1 . . . . . 788 R HD3 . 50084 1 328 . 1 . 1 30 30 ARG C C 13 180.914 0.4 . 1 . . . . . 788 R C . 50084 1 329 . 1 . 1 30 30 ARG CA C 13 59.323 0.4 . 1 . . . . . 788 R CA . 50084 1 330 . 1 . 1 30 30 ARG CB C 13 29.769 0.4 . 1 . . . . . 788 R CB . 50084 1 331 . 1 . 1 30 30 ARG CG C 13 26.729 0.4 . 1 . . . . . 788 R CG . 50084 1 332 . 1 . 1 30 30 ARG CD C 13 43.844 0.4 . 1 . . . . . 788 R CD . 50084 1 333 . 1 . 1 30 30 ARG N N 15 120.138 0.4 . 1 . . . . . 788 R N . 50084 1 334 . 1 . 1 31 31 GLU H H 1 8.269 0.04 . 1 . . . . . 789 E H . 50084 1 335 . 1 . 1 31 31 GLU HA H 1 3.992 0.04 . 1 . . . . . 789 E HA . 50084 1 336 . 1 . 1 31 31 GLU HB2 H 1 2.525 0.04 . 1 . . . . . 789 E HB2 . 50084 1 337 . 1 . 1 31 31 GLU HB3 H 1 1.664 0.04 . 1 . . . . . 789 E HB3 . 50084 1 338 . 1 . 1 31 31 GLU HG2 H 1 2.864 0.04 . 1 . . . . . 789 E HG2 . 50084 1 339 . 1 . 1 31 31 GLU HG3 H 1 2.322 0.04 . 1 . . . . . 789 E HG3 . 50084 1 340 . 1 . 1 31 31 GLU C C 13 177.528 0.4 . 1 . . . . . 789 E C . 50084 1 341 . 1 . 1 31 31 GLU CA C 13 59.051 0.4 . 1 . . . . . 789 E CA . 50084 1 342 . 1 . 1 31 31 GLU CB C 13 28.353 0.4 . 1 . . . . . 789 E CB . 50084 1 343 . 1 . 1 31 31 GLU CG C 13 35.340 0.4 . 1 . . . . . 789 E CG . 50084 1 344 . 1 . 1 31 31 GLU N N 15 118.503 0.4 . 1 . . . . . 789 E N . 50084 1 345 . 1 . 1 32 32 PHE H H 1 8.636 0.04 . 1 . . . . . 790 F H . 50084 1 346 . 1 . 1 32 32 PHE HA H 1 3.660 0.04 . 1 . . . . . 790 F HA . 50084 1 347 . 1 . 1 32 32 PHE HB2 H 1 2.802 0.04 . 1 . . . . . 790 F HB2 . 50084 1 348 . 1 . 1 32 32 PHE HB3 H 1 3.387 0.04 . 1 . . . . . 790 F HB3 . 50084 1 349 . 1 . 1 32 32 PHE HD1 H 1 5.909 0.04 . 3 . . . . . 790 F HD1 . 50084 1 350 . 1 . 1 32 32 PHE HD2 H 1 5.909 0.04 . 3 . . . . . 790 F HD2 . 50084 1 351 . 1 . 1 32 32 PHE HE1 H 1 5.842 0.04 . 3 . . . . . 790 F HE1 . 50084 1 352 . 1 . 1 32 32 PHE HE2 H 1 5.842 0.04 . 3 . . . . . 790 F HE2 . 50084 1 353 . 1 . 1 32 32 PHE C C 13 176.103 0.4 . 1 . . . . . 790 F C . 50084 1 354 . 1 . 1 32 32 PHE CA C 13 62.192 0.4 . 1 . . . . . 790 F CA . 50084 1 355 . 1 . 1 32 32 PHE CB C 13 38.120 0.4 . 1 . . . . . 790 F CB . 50084 1 356 . 1 . 1 32 32 PHE CD1 C 13 130.586 0.4 . 3 . . . . . 790 F CD1 . 50084 1 357 . 1 . 1 32 32 PHE CD2 C 13 130.586 0.4 . 3 . . . . . 790 F CD2 . 50084 1 358 . 1 . 1 32 32 PHE CE1 C 13 130.655 0.4 . 3 . . . . . 790 F CE1 . 50084 1 359 . 1 . 1 32 32 PHE CE2 C 13 130.655 0.4 . 3 . . . . . 790 F CE2 . 50084 1 360 . 1 . 1 32 32 PHE N N 15 120.943 0.4 . 1 . . . . . 790 F N . 50084 1 361 . 1 . 1 33 33 TRP H H 1 8.274 0.04 . 1 . . . . . 791 W H . 50084 1 362 . 1 . 1 33 33 TRP HA H 1 4.080 0.04 . 1 . . . . . 791 W HA . 50084 1 363 . 1 . 1 33 33 TRP HB2 H 1 3.304 0.04 . 1 . . . . . 791 W HB2 . 50084 1 364 . 1 . 1 33 33 TRP HB3 H 1 3.095 0.04 . 1 . . . . . 791 W HB3 . 50084 1 365 . 1 . 1 33 33 TRP HD1 H 1 7.364 0.04 . 1 . . . . . 791 W HD1 . 50084 1 366 . 1 . 1 33 33 TRP HE1 H 1 10.013 0.04 . 1 . . . . . 791 W HE1 . 50084 1 367 . 1 . 1 33 33 TRP HE3 H 1 6.899 0.04 . 1 . . . . . 791 W HE3 . 50084 1 368 . 1 . 1 33 33 TRP HZ2 H 1 7.655 0.04 . 1 . . . . . 791 W HZ2 . 50084 1 369 . 1 . 1 33 33 TRP HZ3 H 1 6.741 0.04 . 1 . . . . . 791 W HZ3 . 50084 1 370 . 1 . 1 33 33 TRP HH2 H 1 6.955 0.04 . 1 . . . . . 791 W HH2 . 50084 1 371 . 1 . 1 33 33 TRP C C 13 177.538 0.4 . 1 . . . . . 791 W C . 50084 1 372 . 1 . 1 33 33 TRP CA C 13 60.238 0.4 . 1 . . . . . 791 W CA . 50084 1 373 . 1 . 1 33 33 TRP CB C 13 28.758 0.4 . 1 . . . . . 791 W CB . 50084 1 374 . 1 . 1 33 33 TRP CD1 C 13 129.359 0.4 . 1 . . . . . 791 W CD1 . 50084 1 375 . 1 . 1 33 33 TRP CE3 C 13 121.467 0.4 . 1 . . . . . 791 W CE3 . 50084 1 376 . 1 . 1 33 33 TRP CZ2 C 13 115.201 0.4 . 1 . . . . . 791 W CZ2 . 50084 1 377 . 1 . 1 33 33 TRP CZ3 C 13 120.496 0.4 . 1 . . . . . 791 W CZ3 . 50084 1 378 . 1 . 1 33 33 TRP CH2 C 13 123.334 0.4 . 1 . . . . . 791 W CH2 . 50084 1 379 . 1 . 1 33 33 TRP N N 15 119.185 0.4 . 1 . . . . . 791 W N . 50084 1 380 . 1 . 1 33 33 TRP NE1 N 15 125.879 0.4 . 1 . . . . . 791 W NE1 . 50084 1 381 . 1 . 1 34 34 GLU H H 1 7.705 0.04 . 1 . . . . . 792 E H . 50084 1 382 . 1 . 1 34 34 GLU HA H 1 3.952 0.04 . 1 . . . . . 792 E HA . 50084 1 383 . 1 . 1 34 34 GLU HB2 H 1 2.280 0.04 . 1 . . . . . 792 E HB2 . 50084 1 384 . 1 . 1 34 34 GLU HB3 H 1 2.022 0.04 . 1 . . . . . 792 E HB3 . 50084 1 385 . 1 . 1 34 34 GLU HG2 H 1 2.586 0.04 . 1 . . . . . 792 E HG2 . 50084 1 386 . 1 . 1 34 34 GLU HG3 H 1 2.247 0.04 . 1 . . . . . 792 E HG3 . 50084 1 387 . 1 . 1 34 34 GLU C C 13 180.252 0.4 . 1 . . . . . 792 E C . 50084 1 388 . 1 . 1 34 34 GLU CA C 13 59.781 0.4 . 1 . . . . . 792 E CA . 50084 1 389 . 1 . 1 34 34 GLU CB C 13 29.308 0.4 . 1 . . . . . 792 E CB . 50084 1 390 . 1 . 1 34 34 GLU CG C 13 36.306 0.4 . 1 . . . . . 792 E CG . 50084 1 391 . 1 . 1 34 34 GLU N N 15 118.385 0.4 . 1 . . . . . 792 E N . 50084 1 392 . 1 . 1 35 35 ILE H H 1 7.783 0.04 . 1 . . . . . 793 I H . 50084 1 393 . 1 . 1 35 35 ILE HA H 1 3.427 0.04 . 1 . . . . . 793 I HA . 50084 1 394 . 1 . 1 35 35 ILE HB H 1 1.655 0.04 . 1 . . . . . 793 I HB . 50084 1 395 . 1 . 1 35 35 ILE HG12 H 1 1.649 0.04 . 1 . . . . . 793 I HG12 . 50084 1 396 . 1 . 1 35 35 ILE HG13 H 1 0.829 0.04 . 1 . . . . . 793 I HG13 . 50084 1 397 . 1 . 1 35 35 ILE HG21 H 1 0.419 0.04 . 1 . . . . . 793 I HG21 . 50084 1 398 . 1 . 1 35 35 ILE HG22 H 1 0.419 0.04 . 1 . . . . . 793 I HG22 . 50084 1 399 . 1 . 1 35 35 ILE HG23 H 1 0.419 0.04 . 1 . . . . . 793 I HG23 . 50084 1 400 . 1 . 1 35 35 ILE HD11 H 1 0.832 0.04 . 1 . . . . . 793 I HD11 . 50084 1 401 . 1 . 1 35 35 ILE HD12 H 1 0.832 0.04 . 1 . . . . . 793 I HD12 . 50084 1 402 . 1 . 1 35 35 ILE HD13 H 1 0.832 0.04 . 1 . . . . . 793 I HD13 . 50084 1 403 . 1 . 1 35 35 ILE C C 13 178.608 0.4 . 1 . . . . . 793 I C . 50084 1 404 . 1 . 1 35 35 ILE CA C 13 64.249 0.4 . 1 . . . . . 793 I CA . 50084 1 405 . 1 . 1 35 35 ILE CB C 13 37.941 0.4 . 1 . . . . . 793 I CB . 50084 1 406 . 1 . 1 35 35 ILE CG1 C 13 28.812 0.4 . 1 . . . . . 793 I CG1 . 50084 1 407 . 1 . 1 35 35 ILE CG2 C 13 17.942 0.4 . 1 . . . . . 793 I CG2 . 50084 1 408 . 1 . 1 35 35 ILE CD1 C 13 14.778 0.4 . 1 . . . . . 793 I CD1 . 50084 1 409 . 1 . 1 35 35 ILE N N 15 119.146 0.4 . 1 . . . . . 793 I N . 50084 1 410 . 1 . 1 36 36 VAL H H 1 7.913 0.04 . 1 . . . . . 794 V H . 50084 1 411 . 1 . 1 36 36 VAL HA H 1 1.869 0.04 . 1 . . . . . 794 V HA . 50084 1 412 . 1 . 1 36 36 VAL HB H 1 1.068 0.04 . 1 . . . . . 794 V HB . 50084 1 413 . 1 . 1 36 36 VAL HG11 H 1 -0.040 0.04 . 2 . . . . . 794 V HG11 . 50084 1 414 . 1 . 1 36 36 VAL HG12 H 1 -0.040 0.04 . 2 . . . . . 794 V HG12 . 50084 1 415 . 1 . 1 36 36 VAL HG13 H 1 -0.040 0.04 . 2 . . . . . 794 V HG13 . 50084 1 416 . 1 . 1 36 36 VAL HG21 H 1 -0.478 0.04 . 2 . . . . . 794 V HG21 . 50084 1 417 . 1 . 1 36 36 VAL HG22 H 1 -0.478 0.04 . 2 . . . . . 794 V HG22 . 50084 1 418 . 1 . 1 36 36 VAL HG23 H 1 -0.478 0.04 . 2 . . . . . 794 V HG23 . 50084 1 419 . 1 . 1 36 36 VAL C C 13 178.807 0.4 . 1 . . . . . 794 V C . 50084 1 420 . 1 . 1 36 36 VAL CA C 13 65.002 0.4 . 1 . . . . . 794 V CA . 50084 1 421 . 1 . 1 36 36 VAL CB C 13 30.546 0.4 . 1 . . . . . 794 V CB . 50084 1 422 . 1 . 1 36 36 VAL CG1 C 13 21.303 0.4 . 2 . . . . . 794 V CG1 . 50084 1 423 . 1 . 1 36 36 VAL CG2 C 13 21.404 0.4 . 2 . . . . . 794 V CG2 . 50084 1 424 . 1 . 1 36 36 VAL N N 15 119.188 0.4 . 1 . . . . . 794 V N . 50084 1 425 . 1 . 1 37 37 HIS H H 1 8.383 0.04 . 1 . . . . . 795 H H . 50084 1 426 . 1 . 1 37 37 HIS HA H 1 4.594 0.04 . 1 . . . . . 795 H HA . 50084 1 427 . 1 . 1 37 37 HIS HB2 H 1 3.158 0.04 . 1 . . . . . 795 H HB2 . 50084 1 428 . 1 . 1 37 37 HIS HB3 H 1 3.140 0.04 . 1 . . . . . 795 H HB3 . 50084 1 429 . 1 . 1 37 37 HIS HD2 H 1 7.252 0.04 . 1 . . . . . 795 H HD2 . 50084 1 430 . 1 . 1 37 37 HIS C C 13 177.650 0.4 . 1 . . . . . 795 H C . 50084 1 431 . 1 . 1 37 37 HIS CA C 13 59.068 0.4 . 1 . . . . . 795 H CA . 50084 1 432 . 1 . 1 37 37 HIS CB C 13 29.989 0.4 . 1 . . . . . 795 H CB . 50084 1 433 . 1 . 1 37 37 HIS CD2 C 13 120.073 0.4 . 1 . . . . . 795 H CD2 . 50084 1 434 . 1 . 1 37 37 HIS N N 15 116.278 0.4 . 1 . . . . . 795 H N . 50084 1 435 . 1 . 1 38 38 SER H H 1 7.386 0.04 . 1 . . . . . 796 S H . 50084 1 436 . 1 . 1 38 38 SER HA H 1 4.594 0.04 . 1 . . . . . 796 S HA . 50084 1 437 . 1 . 1 38 38 SER HB2 H 1 4.068 0.04 . 1 . . . . . 796 S HB2 . 50084 1 438 . 1 . 1 38 38 SER HB3 H 1 4.058 0.04 . 1 . . . . . 796 S HB3 . 50084 1 439 . 1 . 1 38 38 SER C C 13 174.314 0.4 . 1 . . . . . 796 S C . 50084 1 440 . 1 . 1 38 38 SER CA C 13 58.953 0.4 . 1 . . . . . 796 S CA . 50084 1 441 . 1 . 1 38 38 SER CB C 13 64.384 0.4 . 1 . . . . . 796 S CB . 50084 1 442 . 1 . 1 38 38 SER N N 15 113.541 0.4 . 1 . . . . . 796 S N . 50084 1 443 . 1 . 1 39 39 PHE H H 1 7.420 0.04 . 1 . . . . . 797 F H . 50084 1 444 . 1 . 1 39 39 PHE HA H 1 5.007 0.04 . 1 . . . . . 797 F HA . 50084 1 445 . 1 . 1 39 39 PHE HB2 H 1 3.455 0.04 . 1 . . . . . 797 F HB2 . 50084 1 446 . 1 . 1 39 39 PHE HB3 H 1 3.455 0.04 . 1 . . . . . 797 F HB3 . 50084 1 447 . 1 . 1 39 39 PHE HD1 H 1 6.789 0.04 . 3 . . . . . 797 F HD1 . 50084 1 448 . 1 . 1 39 39 PHE HD2 H 1 6.789 0.04 . 3 . . . . . 797 F HD2 . 50084 1 449 . 1 . 1 39 39 PHE C C 13 178.017 0.4 . 1 . . . . . 797 F C . 50084 1 450 . 1 . 1 39 39 PHE CA C 13 53.573 0.4 . 1 . . . . . 797 F CA . 50084 1 451 . 1 . 1 39 39 PHE CB C 13 38.951 0.4 . 1 . . . . . 797 F CB . 50084 1 452 . 1 . 1 39 39 PHE CD1 C 13 129.466 0.4 . 3 . . . . . 797 F CD1 . 50084 1 453 . 1 . 1 39 39 PHE CD2 C 13 129.466 0.4 . 3 . . . . . 797 F CD2 . 50084 1 454 . 1 . 1 39 39 PHE N N 15 123.180 0.4 . 1 . . . . . 797 F N . 50084 1 455 . 1 . 1 40 40 THR H H 1 8.580 0.04 . 1 . . . . . 798 T H . 50084 1 456 . 1 . 1 40 40 THR HA H 1 4.440 0.04 . 1 . . . . . 798 T HA . 50084 1 457 . 1 . 1 40 40 THR HB H 1 4.802 0.04 . 1 . . . . . 798 T HB . 50084 1 458 . 1 . 1 40 40 THR HG21 H 1 1.357 0.04 . 1 . . . . . 798 T HG21 . 50084 1 459 . 1 . 1 40 40 THR HG22 H 1 1.357 0.04 . 1 . . . . . 798 T HG22 . 50084 1 460 . 1 . 1 40 40 THR HG23 H 1 1.357 0.04 . 1 . . . . . 798 T HG23 . 50084 1 461 . 1 . 1 40 40 THR C C 13 175.369 0.4 . 1 . . . . . 798 T C . 50084 1 462 . 1 . 1 40 40 THR CA C 13 60.861 0.4 . 1 . . . . . 798 T CA . 50084 1 463 . 1 . 1 40 40 THR CB C 13 70.874 0.4 . 1 . . . . . 798 T CB . 50084 1 464 . 1 . 1 40 40 THR CG2 C 13 21.935 0.4 . 1 . . . . . 798 T CG2 . 50084 1 465 . 1 . 1 40 40 THR N N 15 111.706 0.4 . 1 . . . . . 798 T N . 50084 1 466 . 1 . 1 41 41 ASP H H 1 9.131 0.04 . 1 . . . . . 799 D H . 50084 1 467 . 1 . 1 41 41 ASP HA H 1 4.339 0.04 . 1 . . . . . 799 D HA . 50084 1 468 . 1 . 1 41 41 ASP HB2 H 1 2.729 0.04 . 1 . . . . . 799 D HB2 . 50084 1 469 . 1 . 1 41 41 ASP HB3 H 1 2.729 0.04 . 1 . . . . . 799 D HB3 . 50084 1 470 . 1 . 1 41 41 ASP C C 13 178.129 0.4 . 1 . . . . . 799 D C . 50084 1 471 . 1 . 1 41 41 ASP CA C 13 58.583 0.4 . 1 . . . . . 799 D CA . 50084 1 472 . 1 . 1 41 41 ASP CB C 13 40.054 0.4 . 1 . . . . . 799 D CB . 50084 1 473 . 1 . 1 41 41 ASP N N 15 121.873 0.4 . 1 . . . . . 799 D N . 50084 1 474 . 1 . 1 42 42 GLU H H 1 8.466 0.04 . 1 . . . . . 800 E H . 50084 1 475 . 1 . 1 42 42 GLU HA H 1 4.081 0.04 . 1 . . . . . 800 E HA . 50084 1 476 . 1 . 1 42 42 GLU HB2 H 1 2.061 0.04 . 1 . . . . . 800 E HB2 . 50084 1 477 . 1 . 1 42 42 GLU HB3 H 1 2.061 0.04 . 1 . . . . . 800 E HB3 . 50084 1 478 . 1 . 1 42 42 GLU HG2 H 1 2.256 0.04 . 1 . . . . . 800 E HG2 . 50084 1 479 . 1 . 1 42 42 GLU HG3 H 1 2.256 0.04 . 1 . . . . . 800 E HG3 . 50084 1 480 . 1 . 1 42 42 GLU C C 13 178.843 0.4 . 1 . . . . . 800 E C . 50084 1 481 . 1 . 1 42 42 GLU CA C 13 59.688 0.4 . 1 . . . . . 800 E CA . 50084 1 482 . 1 . 1 42 42 GLU CB C 13 29.554 0.4 . 1 . . . . . 800 E CB . 50084 1 483 . 1 . 1 42 42 GLU CG C 13 36.028 0.4 . 1 . . . . . 800 E CG . 50084 1 484 . 1 . 1 42 42 GLU N N 15 118.778 0.4 . 1 . . . . . 800 E N . 50084 1 485 . 1 . 1 43 43 GLN H H 1 7.556 0.04 . 1 . . . . . 801 Q H . 50084 1 486 . 1 . 1 43 43 GLN HA H 1 3.593 0.04 . 1 . . . . . 801 Q HA . 50084 1 487 . 1 . 1 43 43 GLN HB2 H 1 2.102 0.04 . 1 . . . . . 801 Q HB2 . 50084 1 488 . 1 . 1 43 43 GLN HB3 H 1 1.691 0.04 . 1 . . . . . 801 Q HB3 . 50084 1 489 . 1 . 1 43 43 GLN HG2 H 1 2.245 0.04 . 1 . . . . . 801 Q HG2 . 50084 1 490 . 1 . 1 43 43 GLN HG3 H 1 1.839 0.04 . 1 . . . . . 801 Q HG3 . 50084 1 491 . 1 . 1 43 43 GLN HE21 H 1 7.252 0.04 . 1 . . . . . 801 Q HE21 . 50084 1 492 . 1 . 1 43 43 GLN HE22 H 1 6.634 0.04 . 1 . . . . . 801 Q HE22 . 50084 1 493 . 1 . 1 43 43 GLN C C 13 178.141 0.4 . 1 . . . . . 801 Q C . 50084 1 494 . 1 . 1 43 43 GLN CA C 13 58.849 0.4 . 1 . . . . . 801 Q CA . 50084 1 495 . 1 . 1 43 43 GLN CB C 13 26.101 0.4 . 1 . . . . . 801 Q CB . 50084 1 496 . 1 . 1 43 43 GLN CG C 13 34.214 0.4 . 1 . . . . . 801 Q CG . 50084 1 497 . 1 . 1 43 43 GLN CD C 13 178.699 0.4 . 1 . . . . . 801 Q CD . 50084 1 498 . 1 . 1 43 43 GLN N N 15 118.785 0.4 . 1 . . . . . 801 Q N . 50084 1 499 . 1 . 1 43 43 GLN NE2 N 15 109.817 0.4 . 1 . . . . . 801 Q NE2 . 50084 1 500 . 1 . 1 44 44 LYS H H 1 8.779 0.04 . 1 . . . . . 802 K H . 50084 1 501 . 1 . 1 44 44 LYS HA H 1 3.895 0.04 . 1 . . . . . 802 K HA . 50084 1 502 . 1 . 1 44 44 LYS HB2 H 1 2.107 0.04 . 1 . . . . . 802 K HB2 . 50084 1 503 . 1 . 1 44 44 LYS HB3 H 1 1.680 0.04 . 1 . . . . . 802 K HB3 . 50084 1 504 . 1 . 1 44 44 LYS HG2 H 1 1.648 0.04 . 1 . . . . . 802 K HG2 . 50084 1 505 . 1 . 1 44 44 LYS HG3 H 1 0.443 0.04 . 1 . . . . . 802 K HG3 . 50084 1 506 . 1 . 1 44 44 LYS HD2 H 1 1.393 0.04 . 1 . . . . . 802 K HD2 . 50084 1 507 . 1 . 1 44 44 LYS HD3 H 1 0.972 0.04 . 1 . . . . . 802 K HD3 . 50084 1 508 . 1 . 1 44 44 LYS HE2 H 1 2.867 0.04 . 1 . . . . . 802 K HE2 . 50084 1 509 . 1 . 1 44 44 LYS HE3 H 1 2.671 0.04 . 1 . . . . . 802 K HE3 . 50084 1 510 . 1 . 1 44 44 LYS C C 13 178.786 0.4 . 1 . . . . . 802 K C . 50084 1 511 . 1 . 1 44 44 LYS CA C 13 61.611 0.4 . 1 . . . . . 802 K CA . 50084 1 512 . 1 . 1 44 44 LYS CB C 13 33.300 0.4 . 1 . . . . . 802 K CB . 50084 1 513 . 1 . 1 44 44 LYS CG C 13 28.702 0.4 . 1 . . . . . 802 K CG . 50084 1 514 . 1 . 1 44 44 LYS CD C 13 29.930 0.4 . 1 . . . . . 802 K CD . 50084 1 515 . 1 . 1 44 44 LYS CE C 13 42.196 0.4 . 1 . . . . . 802 K CE . 50084 1 516 . 1 . 1 44 44 LYS N N 15 119.543 0.4 . 1 . . . . . 802 K N . 50084 1 517 . 1 . 1 45 45 ARG H H 1 8.020 0.04 . 1 . . . . . 803 R H . 50084 1 518 . 1 . 1 45 45 ARG HA H 1 4.055 0.04 . 1 . . . . . 803 R HA . 50084 1 519 . 1 . 1 45 45 ARG HB2 H 1 1.699 0.04 . 1 . . . . . 803 R HB2 . 50084 1 520 . 1 . 1 45 45 ARG HB3 H 1 1.699 0.04 . 1 . . . . . 803 R HB3 . 50084 1 521 . 1 . 1 45 45 ARG HG2 H 1 2.093 0.04 . 1 . . . . . 803 R HG2 . 50084 1 522 . 1 . 1 45 45 ARG HG3 H 1 2.093 0.04 . 1 . . . . . 803 R HG3 . 50084 1 523 . 1 . 1 45 45 ARG HD2 H 1 3.307 0.04 . 1 . . . . . 803 R HD2 . 50084 1 524 . 1 . 1 45 45 ARG HD3 H 1 3.307 0.04 . 1 . . . . . 803 R HD3 . 50084 1 525 . 1 . 1 45 45 ARG C C 13 179.095 0.4 . 1 . . . . . 803 R C . 50084 1 526 . 1 . 1 45 45 ARG CA C 13 60.962 0.4 . 1 . . . . . 803 R CA . 50084 1 527 . 1 . 1 45 45 ARG CB C 13 30.295 0.4 . 1 . . . . . 803 R CB . 50084 1 528 . 1 . 1 45 45 ARG CG C 13 29.222 0.4 . 1 . . . . . 803 R CG . 50084 1 529 . 1 . 1 45 45 ARG CD C 13 43.552 0.4 . 1 . . . . . 803 R CD . 50084 1 530 . 1 . 1 45 45 ARG N N 15 119.198 0.4 . 1 . . . . . 803 R N . 50084 1 531 . 1 . 1 46 46 LEU H H 1 8.232 0.04 . 1 . . . . . 804 L H . 50084 1 532 . 1 . 1 46 46 LEU HA H 1 4.148 0.04 . 1 . . . . . 804 L HA . 50084 1 533 . 1 . 1 46 46 LEU HB2 H 1 1.854 0.04 . 1 . . . . . 804 L HB2 . 50084 1 534 . 1 . 1 46 46 LEU HB3 H 1 1.457 0.04 . 1 . . . . . 804 L HB3 . 50084 1 535 . 1 . 1 46 46 LEU HG H 1 1.877 0.04 . 1 . . . . . 804 L HG . 50084 1 536 . 1 . 1 46 46 LEU HD11 H 1 0.804 0.04 . 2 . . . . . 804 L HD11 . 50084 1 537 . 1 . 1 46 46 LEU HD12 H 1 0.804 0.04 . 2 . . . . . 804 L HD12 . 50084 1 538 . 1 . 1 46 46 LEU HD13 H 1 0.804 0.04 . 2 . . . . . 804 L HD13 . 50084 1 539 . 1 . 1 46 46 LEU HD21 H 1 0.952 0.04 . 2 . . . . . 804 L HD21 . 50084 1 540 . 1 . 1 46 46 LEU HD22 H 1 0.952 0.04 . 2 . . . . . 804 L HD22 . 50084 1 541 . 1 . 1 46 46 LEU HD23 H 1 0.952 0.04 . 2 . . . . . 804 L HD23 . 50084 1 542 . 1 . 1 46 46 LEU C C 13 180.455 0.4 . 1 . . . . . 804 L C . 50084 1 543 . 1 . 1 46 46 LEU CA C 13 57.831 0.4 . 1 . . . . . 804 L CA . 50084 1 544 . 1 . 1 46 46 LEU CB C 13 41.247 0.4 . 1 . . . . . 804 L CB . 50084 1 545 . 1 . 1 46 46 LEU CG C 13 26.293 0.4 . 1 . . . . . 804 L CG . 50084 1 546 . 1 . 1 46 46 LEU CD1 C 13 25.895 0.4 . 2 . . . . . 804 L CD1 . 50084 1 547 . 1 . 1 46 46 LEU CD2 C 13 22.193 0.4 . 2 . . . . . 804 L CD2 . 50084 1 548 . 1 . 1 46 46 LEU N N 15 119.613 0.4 . 1 . . . . . 804 L N . 50084 1 549 . 1 . 1 47 47 PHE H H 1 9.033 0.04 . 1 . . . . . 805 F H . 50084 1 550 . 1 . 1 47 47 PHE HA H 1 4.223 0.04 . 1 . . . . . 805 F HA . 50084 1 551 . 1 . 1 47 47 PHE HB2 H 1 3.777 0.04 . 1 . . . . . 805 F HB2 . 50084 1 552 . 1 . 1 47 47 PHE HB3 H 1 3.374 0.04 . 1 . . . . . 805 F HB3 . 50084 1 553 . 1 . 1 47 47 PHE HD1 H 1 6.758 0.04 . 3 . . . . . 805 F HD1 . 50084 1 554 . 1 . 1 47 47 PHE HD2 H 1 6.758 0.04 . 3 . . . . . 805 F HD2 . 50084 1 555 . 1 . 1 47 47 PHE C C 13 177.806 0.4 . 1 . . . . . 805 F C . 50084 1 556 . 1 . 1 47 47 PHE CA C 13 62.490 0.4 . 1 . . . . . 805 F CA . 50084 1 557 . 1 . 1 47 47 PHE CB C 13 39.186 0.4 . 1 . . . . . 805 F CB . 50084 1 558 . 1 . 1 47 47 PHE CD1 C 13 130.633 0.4 . 3 . . . . . 805 F CD1 . 50084 1 559 . 1 . 1 47 47 PHE CD2 C 13 130.633 0.4 . 3 . . . . . 805 F CD2 . 50084 1 560 . 1 . 1 47 47 PHE N N 15 122.314 0.4 . 1 . . . . . 805 F N . 50084 1 561 . 1 . 1 48 48 LEU H H 1 8.677 0.04 . 1 . . . . . 806 L H . 50084 1 562 . 1 . 1 48 48 LEU HA H 1 3.979 0.04 . 1 . . . . . 806 L HA . 50084 1 563 . 1 . 1 48 48 LEU HB2 H 1 2.120 0.04 . 1 . . . . . 806 L HB2 . 50084 1 564 . 1 . 1 48 48 LEU HB3 H 1 1.949 0.04 . 1 . . . . . 806 L HB3 . 50084 1 565 . 1 . 1 48 48 LEU HG H 1 2.277 0.04 . 1 . . . . . 806 L HG . 50084 1 566 . 1 . 1 48 48 LEU HD11 H 1 1.005 0.04 . 2 . . . . . 806 L HD11 . 50084 1 567 . 1 . 1 48 48 LEU HD12 H 1 1.005 0.04 . 2 . . . . . 806 L HD12 . 50084 1 568 . 1 . 1 48 48 LEU HD13 H 1 1.005 0.04 . 2 . . . . . 806 L HD13 . 50084 1 569 . 1 . 1 48 48 LEU HD21 H 1 0.859 0.04 . 2 . . . . . 806 L HD21 . 50084 1 570 . 1 . 1 48 48 LEU HD22 H 1 0.859 0.04 . 2 . . . . . 806 L HD22 . 50084 1 571 . 1 . 1 48 48 LEU HD23 H 1 0.859 0.04 . 2 . . . . . 806 L HD23 . 50084 1 572 . 1 . 1 48 48 LEU C C 13 180.501 0.4 . 1 . . . . . 806 L C . 50084 1 573 . 1 . 1 48 48 LEU CA C 13 58.238 0.4 . 1 . . . . . 806 L CA . 50084 1 574 . 1 . 1 48 48 LEU CB C 13 41.536 0.4 . 1 . . . . . 806 L CB . 50084 1 575 . 1 . 1 48 48 LEU CG C 13 27.532 0.4 . 1 . . . . . 806 L CG . 50084 1 576 . 1 . 1 48 48 LEU CD1 C 13 26.136 0.4 . 2 . . . . . 806 L CD1 . 50084 1 577 . 1 . 1 48 48 LEU CD2 C 13 22.983 0.4 . 2 . . . . . 806 L CD2 . 50084 1 578 . 1 . 1 48 48 LEU N N 15 122.803 0.4 . 1 . . . . . 806 L N . 50084 1 579 . 1 . 1 49 49 GLN H H 1 8.685 0.04 . 1 . . . . . 807 Q H . 50084 1 580 . 1 . 1 49 49 GLN HA H 1 3.657 0.04 . 1 . . . . . 807 Q HA . 50084 1 581 . 1 . 1 49 49 GLN HB2 H 1 2.104 0.04 . 1 . . . . . 807 Q HB2 . 50084 1 582 . 1 . 1 49 49 GLN HB3 H 1 2.104 0.04 . 1 . . . . . 807 Q HB3 . 50084 1 583 . 1 . 1 49 49 GLN HG2 H 1 2.272 0.04 . 1 . . . . . 807 Q HG2 . 50084 1 584 . 1 . 1 49 49 GLN HG3 H 1 2.180 0.04 . 1 . . . . . 807 Q HG3 . 50084 1 585 . 1 . 1 49 49 GLN HE21 H 1 7.417 0.04 . 1 . . . . . 807 Q HE21 . 50084 1 586 . 1 . 1 49 49 GLN HE22 H 1 6.593 0.04 . 1 . . . . . 807 Q HE22 . 50084 1 587 . 1 . 1 49 49 GLN C C 13 178.473 0.4 . 1 . . . . . 807 Q C . 50084 1 588 . 1 . 1 49 49 GLN CA C 13 59.610 0.4 . 1 . . . . . 807 Q CA . 50084 1 589 . 1 . 1 49 49 GLN CB C 13 28.628 0.4 . 1 . . . . . 807 Q CB . 50084 1 590 . 1 . 1 49 49 GLN CG C 13 34.088 0.4 . 1 . . . . . 807 Q CG . 50084 1 591 . 1 . 1 49 49 GLN CD C 13 178.856 0.4 . 1 . . . . . 807 Q CD . 50084 1 592 . 1 . 1 49 49 GLN N N 15 123.265 0.4 . 1 . . . . . 807 Q N . 50084 1 593 . 1 . 1 49 49 GLN NE2 N 15 110.390 0.4 . 1 . . . . . 807 Q NE2 . 50084 1 594 . 1 . 1 50 50 PHE H H 1 8.405 0.04 . 1 . . . . . 808 F H . 50084 1 595 . 1 . 1 50 50 PHE HA H 1 4.211 0.04 . 1 . . . . . 808 F HA . 50084 1 596 . 1 . 1 50 50 PHE HB2 H 1 3.431 0.04 . 1 . . . . . 808 F HB2 . 50084 1 597 . 1 . 1 50 50 PHE HB3 H 1 3.076 0.04 . 1 . . . . . 808 F HB3 . 50084 1 598 . 1 . 1 50 50 PHE HD1 H 1 7.055 0.04 . 3 . . . . . 808 F HD1 . 50084 1 599 . 1 . 1 50 50 PHE HD2 H 1 7.055 0.04 . 3 . . . . . 808 F HD2 . 50084 1 600 . 1 . 1 50 50 PHE C C 13 176.066 0.4 . 1 . . . . . 808 F C . 50084 1 601 . 1 . 1 50 50 PHE CA C 13 60.838 0.4 . 1 . . . . . 808 F CA . 50084 1 602 . 1 . 1 50 50 PHE CB C 13 40.357 0.4 . 1 . . . . . 808 F CB . 50084 1 603 . 1 . 1 50 50 PHE N N 15 120.186 0.4 . 1 . . . . . 808 F N . 50084 1 604 . 1 . 1 51 51 THR H H 1 7.792 0.04 . 1 . . . . . 809 T H . 50084 1 605 . 1 . 1 51 51 THR HA H 1 3.666 0.04 . 1 . . . . . 809 T HA . 50084 1 606 . 1 . 1 51 51 THR HB H 1 3.632 0.04 . 1 . . . . . 809 T HB . 50084 1 607 . 1 . 1 51 51 THR HG21 H 1 0.919 0.04 . 1 . . . . . 809 T HG21 . 50084 1 608 . 1 . 1 51 51 THR HG22 H 1 0.919 0.04 . 1 . . . . . 809 T HG22 . 50084 1 609 . 1 . 1 51 51 THR HG23 H 1 0.919 0.04 . 1 . . . . . 809 T HG23 . 50084 1 610 . 1 . 1 51 51 THR C C 13 174.730 0.4 . 1 . . . . . 809 T C . 50084 1 611 . 1 . 1 51 51 THR CA C 13 65.290 0.4 . 1 . . . . . 809 T CA . 50084 1 612 . 1 . 1 51 51 THR CB C 13 69.728 0.4 . 1 . . . . . 809 T CB . 50084 1 613 . 1 . 1 51 51 THR CG2 C 13 23.197 0.4 . 1 . . . . . 809 T CG2 . 50084 1 614 . 1 . 1 51 51 THR N N 15 110.055 0.4 . 1 . . . . . 809 T N . 50084 1 615 . 1 . 1 52 52 THR H H 1 8.147 0.04 . 1 . . . . . 810 T H . 50084 1 616 . 1 . 1 52 52 THR HA H 1 5.110 0.04 . 1 . . . . . 810 T HA . 50084 1 617 . 1 . 1 52 52 THR HB H 1 4.337 0.04 . 1 . . . . . 810 T HB . 50084 1 618 . 1 . 1 52 52 THR HG21 H 1 1.135 0.04 . 1 . . . . . 810 T HG21 . 50084 1 619 . 1 . 1 52 52 THR HG22 H 1 1.135 0.04 . 1 . . . . . 810 T HG22 . 50084 1 620 . 1 . 1 52 52 THR HG23 H 1 1.135 0.04 . 1 . . . . . 810 T HG23 . 50084 1 621 . 1 . 1 52 52 THR C C 13 176.564 0.4 . 1 . . . . . 810 T C . 50084 1 622 . 1 . 1 52 52 THR CA C 13 61.353 0.4 . 1 . . . . . 810 T CA . 50084 1 623 . 1 . 1 52 52 THR CB C 13 72.278 0.4 . 1 . . . . . 810 T CB . 50084 1 624 . 1 . 1 52 52 THR CG2 C 13 21.144 0.4 . 1 . . . . . 810 T CG2 . 50084 1 625 . 1 . 1 52 52 THR N N 15 106.551 0.4 . 1 . . . . . 810 T N . 50084 1 626 . 1 . 1 53 53 GLY H H 1 7.830 0.04 . 1 . . . . . 811 G H . 50084 1 627 . 1 . 1 53 53 GLY HA2 H 1 4.375 0.04 . 1 . . . . . 811 G HA2 . 50084 1 628 . 1 . 1 53 53 GLY HA3 H 1 3.846 0.04 . 1 . . . . . 811 G HA3 . 50084 1 629 . 1 . 1 53 53 GLY C C 13 173.120 0.4 . 1 . . . . . 811 G C . 50084 1 630 . 1 . 1 53 53 GLY CA C 13 45.395 0.4 . 1 . . . . . 811 G CA . 50084 1 631 . 1 . 1 53 53 GLY N N 15 110.903 0.4 . 1 . . . . . 811 G N . 50084 1 632 . 1 . 1 54 54 THR H H 1 7.806 0.04 . 1 . . . . . 812 T H . 50084 1 633 . 1 . 1 54 54 THR HA H 1 4.789 0.04 . 1 . . . . . 812 T HA . 50084 1 634 . 1 . 1 54 54 THR HB H 1 4.147 0.04 . 1 . . . . . 812 T HB . 50084 1 635 . 1 . 1 54 54 THR HG21 H 1 1.167 0.04 . 1 . . . . . 812 T HG21 . 50084 1 636 . 1 . 1 54 54 THR HG22 H 1 1.167 0.04 . 1 . . . . . 812 T HG22 . 50084 1 637 . 1 . 1 54 54 THR HG23 H 1 1.167 0.04 . 1 . . . . . 812 T HG23 . 50084 1 638 . 1 . 1 54 54 THR C C 13 170.348 0.4 . 1 . . . . . 812 T C . 50084 1 639 . 1 . 1 54 54 THR CA C 13 59.758 0.4 . 1 . . . . . 812 T CA . 50084 1 640 . 1 . 1 54 54 THR CB C 13 69.742 0.4 . 1 . . . . . 812 T CB . 50084 1 641 . 1 . 1 54 54 THR CG2 C 13 20.064 0.4 . 1 . . . . . 812 T CG2 . 50084 1 642 . 1 . 1 54 54 THR N N 15 114.808 0.4 . 1 . . . . . 812 T N . 50084 1 643 . 1 . 1 55 55 ASP H H 1 8.033 0.04 . 1 . . . . . 813 D H . 50084 1 644 . 1 . 1 55 55 ASP HA H 1 4.650 0.04 . 1 . . . . . 813 D HA . 50084 1 645 . 1 . 1 55 55 ASP HB2 H 1 3.050 0.04 . 1 . . . . . 813 D HB2 . 50084 1 646 . 1 . 1 55 55 ASP HB3 H 1 2.584 0.04 . 1 . . . . . 813 D HB3 . 50084 1 647 . 1 . 1 55 55 ASP C C 13 174.921 0.4 . 1 . . . . . 813 D C . 50084 1 648 . 1 . 1 55 55 ASP CA C 13 52.951 0.4 . 1 . . . . . 813 D CA . 50084 1 649 . 1 . 1 55 55 ASP CB C 13 40.878 0.4 . 1 . . . . . 813 D CB . 50084 1 650 . 1 . 1 55 55 ASP N N 15 120.941 0.4 . 1 . . . . . 813 D N . 50084 1 651 . 1 . 1 56 56 ARG H H 1 7.652 0.04 . 1 . . . . . 814 R H . 50084 1 652 . 1 . 1 56 56 ARG HA H 1 4.437 0.04 . 1 . . . . . 814 R HA . 50084 1 653 . 1 . 1 56 56 ARG HB2 H 1 1.802 0.04 . 1 . . . . . 814 R HB2 . 50084 1 654 . 1 . 1 56 56 ARG HB3 H 1 1.714 0.04 . 1 . . . . . 814 R HB3 . 50084 1 655 . 1 . 1 56 56 ARG HG2 H 1 1.662 0.04 . 1 . . . . . 814 R HG2 . 50084 1 656 . 1 . 1 56 56 ARG HG3 H 1 1.662 0.04 . 1 . . . . . 814 R HG3 . 50084 1 657 . 1 . 1 56 56 ARG HD2 H 1 3.197 0.04 . 1 . . . . . 814 R HD2 . 50084 1 658 . 1 . 1 56 56 ARG HD3 H 1 3.197 0.04 . 1 . . . . . 814 R HD3 . 50084 1 659 . 1 . 1 56 56 ARG C C 13 175.473 0.4 . 1 . . . . . 814 R C . 50084 1 660 . 1 . 1 56 56 ARG CA C 13 54.597 0.4 . 1 . . . . . 814 R CA . 50084 1 661 . 1 . 1 56 56 ARG CB C 13 31.845 0.4 . 1 . . . . . 814 R CB . 50084 1 662 . 1 . 1 56 56 ARG CG C 13 26.452 0.4 . 1 . . . . . 814 R CG . 50084 1 663 . 1 . 1 56 56 ARG CD C 13 43.431 0.4 . 1 . . . . . 814 R CD . 50084 1 664 . 1 . 1 56 56 ARG N N 15 117.910 0.4 . 1 . . . . . 814 R N . 50084 1 665 . 1 . 1 57 57 ALA H H 1 8.597 0.04 . 1 . . . . . 815 A H . 50084 1 666 . 1 . 1 57 57 ALA HA H 1 4.358 0.04 . 1 . . . . . 815 A HA . 50084 1 667 . 1 . 1 57 57 ALA HB1 H 1 1.324 0.04 . 1 . . . . . 815 A HB1 . 50084 1 668 . 1 . 1 57 57 ALA HB2 H 1 1.324 0.04 . 1 . . . . . 815 A HB2 . 50084 1 669 . 1 . 1 57 57 ALA HB3 H 1 1.324 0.04 . 1 . . . . . 815 A HB3 . 50084 1 670 . 1 . 1 57 57 ALA C C 13 175.230 0.4 . 1 . . . . . 815 A C . 50084 1 671 . 1 . 1 57 57 ALA CA C 13 50.122 0.4 . 1 . . . . . 815 A CA . 50084 1 672 . 1 . 1 57 57 ALA CB C 13 18.363 0.4 . 1 . . . . . 815 A CB . 50084 1 673 . 1 . 1 57 57 ALA N N 15 125.384 0.4 . 1 . . . . . 815 A N . 50084 1 674 . 1 . 1 58 58 PRO HA H 1 4.572 0.04 . 1 . . . . . 816 P HA . 50084 1 675 . 1 . 1 58 58 PRO HB2 H 1 2.292 0.04 . 1 . . . . . 816 P HB2 . 50084 1 676 . 1 . 1 58 58 PRO HB3 H 1 1.903 0.04 . 1 . . . . . 816 P HB3 . 50084 1 677 . 1 . 1 58 58 PRO HG2 H 1 1.794 0.04 . 1 . . . . . 816 P HG2 . 50084 1 678 . 1 . 1 58 58 PRO HG3 H 1 1.794 0.04 . 1 . . . . . 816 P HG3 . 50084 1 679 . 1 . 1 58 58 PRO HD2 H 1 3.733 0.04 . 1 . . . . . 816 P HD2 . 50084 1 680 . 1 . 1 58 58 PRO HD3 H 1 3.189 0.04 . 1 . . . . . 816 P HD3 . 50084 1 681 . 1 . 1 58 58 PRO C C 13 177.086 0.4 . 1 . . . . . 816 P C . 50084 1 682 . 1 . 1 58 58 PRO CA C 13 62.053 0.4 . 1 . . . . . 816 P CA . 50084 1 683 . 1 . 1 58 58 PRO CB C 13 32.084 0.4 . 1 . . . . . 816 P CB . 50084 1 684 . 1 . 1 58 58 PRO CG C 13 27.132 0.4 . 1 . . . . . 816 P CG . 50084 1 685 . 1 . 1 58 58 PRO CD C 13 49.988 0.4 . 1 . . . . . 816 P CD . 50084 1 686 . 1 . 1 59 59 VAL H H 1 8.544 0.04 . 1 . . . . . 817 V H . 50084 1 687 . 1 . 1 59 59 VAL HA H 1 3.780 0.04 . 1 . . . . . 817 V HA . 50084 1 688 . 1 . 1 59 59 VAL HB H 1 2.000 0.04 . 1 . . . . . 817 V HB . 50084 1 689 . 1 . 1 59 59 VAL HG11 H 1 1.066 0.04 . 2 . . . . . 817 V HG11 . 50084 1 690 . 1 . 1 59 59 VAL HG12 H 1 1.066 0.04 . 2 . . . . . 817 V HG12 . 50084 1 691 . 1 . 1 59 59 VAL HG13 H 1 1.066 0.04 . 2 . . . . . 817 V HG13 . 50084 1 692 . 1 . 1 59 59 VAL HG21 H 1 0.958 0.04 . 2 . . . . . 817 V HG21 . 50084 1 693 . 1 . 1 59 59 VAL HG22 H 1 0.958 0.04 . 2 . . . . . 817 V HG22 . 50084 1 694 . 1 . 1 59 59 VAL HG23 H 1 0.958 0.04 . 2 . . . . . 817 V HG23 . 50084 1 695 . 1 . 1 59 59 VAL C C 13 177.400 0.4 . 1 . . . . . 817 V C . 50084 1 696 . 1 . 1 59 59 VAL CA C 13 65.381 0.4 . 1 . . . . . 817 V CA . 50084 1 697 . 1 . 1 59 59 VAL CB C 13 31.336 0.4 . 1 . . . . . 817 V CB . 50084 1 698 . 1 . 1 59 59 VAL CG1 C 13 21.778 0.4 . 2 . . . . . 817 V CG1 . 50084 1 699 . 1 . 1 59 59 VAL CG2 C 13 20.904 0.4 . 2 . . . . . 817 V CG2 . 50084 1 700 . 1 . 1 59 59 VAL N N 15 123.164 0.4 . 1 . . . . . 817 V N . 50084 1 701 . 1 . 1 60 60 GLY H H 1 8.770 0.04 . 1 . . . . . 818 G H . 50084 1 702 . 1 . 1 60 60 GLY HA2 H 1 4.209 0.04 . 1 . . . . . 818 G HA2 . 50084 1 703 . 1 . 1 60 60 GLY HA3 H 1 3.813 0.04 . 1 . . . . . 818 G HA3 . 50084 1 704 . 1 . 1 60 60 GLY C C 13 175.297 0.4 . 1 . . . . . 818 G C . 50084 1 705 . 1 . 1 60 60 GLY CA C 13 44.935 0.4 . 1 . . . . . 818 G CA . 50084 1 706 . 1 . 1 60 60 GLY N N 15 113.972 0.4 . 1 . . . . . 818 G N . 50084 1 707 . 1 . 1 61 61 GLY H H 1 8.215 0.04 . 1 . . . . . 819 G H . 50084 1 708 . 1 . 1 61 61 GLY HA2 H 1 4.551 0.04 . 1 . . . . . 819 G HA2 . 50084 1 709 . 1 . 1 61 61 GLY HA3 H 1 3.854 0.04 . 1 . . . . . 819 G HA3 . 50084 1 710 . 1 . 1 61 61 GLY C C 13 174.259 0.4 . 1 . . . . . 819 G C . 50084 1 711 . 1 . 1 61 61 GLY CA C 13 44.573 0.4 . 1 . . . . . 819 G CA . 50084 1 712 . 1 . 1 61 61 GLY N N 15 108.620 0.4 . 1 . . . . . 819 G N . 50084 1 713 . 1 . 1 62 62 LEU H H 1 8.870 0.04 . 1 . . . . . 820 L H . 50084 1 714 . 1 . 1 62 62 LEU HA H 1 3.911 0.04 . 1 . . . . . 820 L HA . 50084 1 715 . 1 . 1 62 62 LEU HB2 H 1 1.844 0.04 . 1 . . . . . 820 L HB2 . 50084 1 716 . 1 . 1 62 62 LEU HB3 H 1 1.523 0.04 . 1 . . . . . 820 L HB3 . 50084 1 717 . 1 . 1 62 62 LEU HG H 1 1.928 0.04 . 1 . . . . . 820 L HG . 50084 1 718 . 1 . 1 62 62 LEU HD11 H 1 0.878 0.04 . 2 . . . . . 820 L HD11 . 50084 1 719 . 1 . 1 62 62 LEU HD12 H 1 0.878 0.04 . 2 . . . . . 820 L HD12 . 50084 1 720 . 1 . 1 62 62 LEU HD13 H 1 0.878 0.04 . 2 . . . . . 820 L HD13 . 50084 1 721 . 1 . 1 62 62 LEU HD21 H 1 0.886 0.04 . 2 . . . . . 820 L HD21 . 50084 1 722 . 1 . 1 62 62 LEU HD22 H 1 0.886 0.04 . 2 . . . . . 820 L HD22 . 50084 1 723 . 1 . 1 62 62 LEU HD23 H 1 0.886 0.04 . 2 . . . . . 820 L HD23 . 50084 1 724 . 1 . 1 62 62 LEU C C 13 177.963 0.4 . 1 . . . . . 820 L C . 50084 1 725 . 1 . 1 62 62 LEU CA C 13 57.267 0.4 . 1 . . . . . 820 L CA . 50084 1 726 . 1 . 1 62 62 LEU CB C 13 41.577 0.4 . 1 . . . . . 820 L CB . 50084 1 727 . 1 . 1 62 62 LEU CG C 13 27.536 0.4 . 1 . . . . . 820 L CG . 50084 1 728 . 1 . 1 62 62 LEU CD1 C 13 26.797 0.4 . 2 . . . . . 820 L CD1 . 50084 1 729 . 1 . 1 62 62 LEU CD2 C 13 24.287 0.4 . 2 . . . . . 820 L CD2 . 50084 1 730 . 1 . 1 62 62 LEU N N 15 116.630 0.4 . 1 . . . . . 820 L N . 50084 1 731 . 1 . 1 63 63 GLY H H 1 8.793 0.04 . 1 . . . . . 821 G H . 50084 1 732 . 1 . 1 63 63 GLY HA2 H 1 4.025 0.04 . 1 . . . . . 821 G HA2 . 50084 1 733 . 1 . 1 63 63 GLY HA3 H 1 3.751 0.04 . 1 . . . . . 821 G HA3 . 50084 1 734 . 1 . 1 63 63 GLY C C 13 175.856 0.4 . 1 . . . . . 821 G C . 50084 1 735 . 1 . 1 63 63 GLY CA C 13 46.119 0.4 . 1 . . . . . 821 G CA . 50084 1 736 . 1 . 1 63 63 GLY N N 15 104.837 0.4 . 1 . . . . . 821 G N . 50084 1 737 . 1 . 1 64 64 LYS H H 1 7.606 0.04 . 1 . . . . . 822 K H . 50084 1 738 . 1 . 1 64 64 LYS HA H 1 4.300 0.04 . 1 . . . . . 822 K HA . 50084 1 739 . 1 . 1 64 64 LYS HB2 H 1 2.041 0.04 . 1 . . . . . 822 K HB2 . 50084 1 740 . 1 . 1 64 64 LYS HB3 H 1 1.861 0.04 . 1 . . . . . 822 K HB3 . 50084 1 741 . 1 . 1 64 64 LYS HG2 H 1 1.670 0.04 . 1 . . . . . 822 K HG2 . 50084 1 742 . 1 . 1 64 64 LYS HG3 H 1 1.318 0.04 . 1 . . . . . 822 K HG3 . 50084 1 743 . 1 . 1 64 64 LYS HD2 H 1 1.638 0.04 . 1 . . . . . 822 K HD2 . 50084 1 744 . 1 . 1 64 64 LYS HD3 H 1 1.638 0.04 . 1 . . . . . 822 K HD3 . 50084 1 745 . 1 . 1 64 64 LYS HE2 H 1 3.060 0.04 . 1 . . . . . 822 K HE2 . 50084 1 746 . 1 . 1 64 64 LYS HE3 H 1 2.962 0.04 . 1 . . . . . 822 K HE3 . 50084 1 747 . 1 . 1 64 64 LYS C C 13 177.143 0.4 . 1 . . . . . 822 K C . 50084 1 748 . 1 . 1 64 64 LYS CA C 13 54.839 0.4 . 1 . . . . . 822 K CA . 50084 1 749 . 1 . 1 64 64 LYS CB C 13 31.470 0.4 . 1 . . . . . 822 K CB . 50084 1 750 . 1 . 1 64 64 LYS CG C 13 24.276 0.4 . 1 . . . . . 822 K CG . 50084 1 751 . 1 . 1 64 64 LYS CD C 13 27.560 0.4 . 1 . . . . . 822 K CD . 50084 1 752 . 1 . 1 64 64 LYS CE C 13 42.347 0.4 . 1 . . . . . 822 K CE . 50084 1 753 . 1 . 1 64 64 LYS N N 15 117.001 0.4 . 1 . . . . . 822 K N . 50084 1 754 . 1 . 1 65 65 LEU H H 1 7.588 0.04 . 1 . . . . . 823 L H . 50084 1 755 . 1 . 1 65 65 LEU HA H 1 4.069 0.04 . 1 . . . . . 823 L HA . 50084 1 756 . 1 . 1 65 65 LEU HB2 H 1 1.733 0.04 . 1 . . . . . 823 L HB2 . 50084 1 757 . 1 . 1 65 65 LEU HB3 H 1 1.503 0.04 . 1 . . . . . 823 L HB3 . 50084 1 758 . 1 . 1 65 65 LEU HG H 1 1.550 0.04 . 1 . . . . . 823 L HG . 50084 1 759 . 1 . 1 65 65 LEU HD11 H 1 0.934 0.04 . 2 . . . . . 823 L HD11 . 50084 1 760 . 1 . 1 65 65 LEU HD12 H 1 0.934 0.04 . 2 . . . . . 823 L HD12 . 50084 1 761 . 1 . 1 65 65 LEU HD13 H 1 0.934 0.04 . 2 . . . . . 823 L HD13 . 50084 1 762 . 1 . 1 65 65 LEU HD21 H 1 0.901 0.04 . 2 . . . . . 823 L HD21 . 50084 1 763 . 1 . 1 65 65 LEU HD22 H 1 0.901 0.04 . 2 . . . . . 823 L HD22 . 50084 1 764 . 1 . 1 65 65 LEU HD23 H 1 0.901 0.04 . 2 . . . . . 823 L HD23 . 50084 1 765 . 1 . 1 65 65 LEU C C 13 175.764 0.4 . 1 . . . . . 823 L C . 50084 1 766 . 1 . 1 65 65 LEU CA C 13 55.928 0.4 . 1 . . . . . 823 L CA . 50084 1 767 . 1 . 1 65 65 LEU CB C 13 42.792 0.4 . 1 . . . . . 823 L CB . 50084 1 768 . 1 . 1 65 65 LEU CG C 13 27.514 0.4 . 1 . . . . . 823 L CG . 50084 1 769 . 1 . 1 65 65 LEU CD1 C 13 25.840 0.4 . 2 . . . . . 823 L CD1 . 50084 1 770 . 1 . 1 65 65 LEU CD2 C 13 24.363 0.4 . 2 . . . . . 823 L CD2 . 50084 1 771 . 1 . 1 65 65 LEU N N 15 121.027 0.4 . 1 . . . . . 823 L N . 50084 1 772 . 1 . 1 66 66 LYS H H 1 7.750 0.04 . 1 . . . . . 824 K H . 50084 1 773 . 1 . 1 66 66 LYS HA H 1 4.095 0.04 . 1 . . . . . 824 K HA . 50084 1 774 . 1 . 1 66 66 LYS HB2 H 1 1.865 0.04 . 1 . . . . . 824 K HB2 . 50084 1 775 . 1 . 1 66 66 LYS HB3 H 1 1.739 0.04 . 1 . . . . . 824 K HB3 . 50084 1 776 . 1 . 1 66 66 LYS HG2 H 1 1.481 0.04 . 1 . . . . . 824 K HG2 . 50084 1 777 . 1 . 1 66 66 LYS HG3 H 1 1.349 0.04 . 1 . . . . . 824 K HG3 . 50084 1 778 . 1 . 1 66 66 LYS HD2 H 1 1.733 0.04 . 1 . . . . . 824 K HD2 . 50084 1 779 . 1 . 1 66 66 LYS HD3 H 1 1.733 0.04 . 1 . . . . . 824 K HD3 . 50084 1 780 . 1 . 1 66 66 LYS HE2 H 1 3.044 0.04 . 1 . . . . . 824 K HE2 . 50084 1 781 . 1 . 1 66 66 LYS HE3 H 1 3.044 0.04 . 1 . . . . . 824 K HE3 . 50084 1 782 . 1 . 1 66 66 LYS C C 13 174.886 0.4 . 1 . . . . . 824 K C . 50084 1 783 . 1 . 1 66 66 LYS CA C 13 55.942 0.4 . 1 . . . . . 824 K CA . 50084 1 784 . 1 . 1 66 66 LYS CB C 13 30.434 0.4 . 1 . . . . . 824 K CB . 50084 1 785 . 1 . 1 66 66 LYS CG C 13 24.436 0.4 . 1 . . . . . 824 K CG . 50084 1 786 . 1 . 1 66 66 LYS CD C 13 28.602 0.4 . 1 . . . . . 824 K CD . 50084 1 787 . 1 . 1 66 66 LYS CE C 13 41.915 0.4 . 1 . . . . . 824 K CE . 50084 1 788 . 1 . 1 66 66 LYS N N 15 118.872 0.4 . 1 . . . . . 824 K N . 50084 1 789 . 1 . 1 67 67 MET H H 1 8.384 0.04 . 1 . . . . . 825 M H . 50084 1 790 . 1 . 1 67 67 MET HA H 1 4.726 0.04 . 1 . . . . . 825 M HA . 50084 1 791 . 1 . 1 67 67 MET HB2 H 1 1.739 0.04 . 1 . . . . . 825 M HB2 . 50084 1 792 . 1 . 1 67 67 MET HB3 H 1 1.739 0.04 . 1 . . . . . 825 M HB3 . 50084 1 793 . 1 . 1 67 67 MET HG2 H 1 2.525 0.04 . 1 . . . . . 825 M HG2 . 50084 1 794 . 1 . 1 67 67 MET HG3 H 1 2.406 0.04 . 1 . . . . . 825 M HG3 . 50084 1 795 . 1 . 1 67 67 MET HE1 H 1 2.198 0.04 . 1 . . . . . 825 M HE1 . 50084 1 796 . 1 . 1 67 67 MET HE2 H 1 2.198 0.04 . 1 . . . . . 825 M HE2 . 50084 1 797 . 1 . 1 67 67 MET HE3 H 1 2.198 0.04 . 1 . . . . . 825 M HE3 . 50084 1 798 . 1 . 1 67 67 MET C C 13 174.429 0.4 . 1 . . . . . 825 M C . 50084 1 799 . 1 . 1 67 67 MET CA C 13 55.829 0.4 . 1 . . . . . 825 M CA . 50084 1 800 . 1 . 1 67 67 MET CB C 13 35.354 0.4 . 1 . . . . . 825 M CB . 50084 1 801 . 1 . 1 67 67 MET CG C 13 31.978 0.4 . 1 . . . . . 825 M CG . 50084 1 802 . 1 . 1 67 67 MET CE C 13 17.635 0.4 . 1 . . . . . 825 M CE . 50084 1 803 . 1 . 1 67 67 MET N N 15 122.751 0.4 . 1 . . . . . 825 M N . 50084 1 804 . 1 . 1 68 68 ILE H H 1 8.286 0.04 . 1 . . . . . 826 I H . 50084 1 805 . 1 . 1 68 68 ILE HA H 1 4.874 0.04 . 1 . . . . . 826 I HA . 50084 1 806 . 1 . 1 68 68 ILE HB H 1 1.657 0.04 . 1 . . . . . 826 I HB . 50084 1 807 . 1 . 1 68 68 ILE HG12 H 1 1.581 0.04 . 1 . . . . . 826 I HG12 . 50084 1 808 . 1 . 1 68 68 ILE HG13 H 1 0.986 0.04 . 1 . . . . . 826 I HG13 . 50084 1 809 . 1 . 1 68 68 ILE HG21 H 1 0.674 0.04 . 1 . . . . . 826 I HG21 . 50084 1 810 . 1 . 1 68 68 ILE HG22 H 1 0.674 0.04 . 1 . . . . . 826 I HG22 . 50084 1 811 . 1 . 1 68 68 ILE HG23 H 1 0.674 0.04 . 1 . . . . . 826 I HG23 . 50084 1 812 . 1 . 1 68 68 ILE HD11 H 1 0.811 0.04 . 1 . . . . . 826 I HD11 . 50084 1 813 . 1 . 1 68 68 ILE HD12 H 1 0.811 0.04 . 1 . . . . . 826 I HD12 . 50084 1 814 . 1 . 1 68 68 ILE HD13 H 1 0.811 0.04 . 1 . . . . . 826 I HD13 . 50084 1 815 . 1 . 1 68 68 ILE C C 13 175.321 0.4 . 1 . . . . . 826 I C . 50084 1 816 . 1 . 1 68 68 ILE CA C 13 58.733 0.4 . 1 . . . . . 826 I CA . 50084 1 817 . 1 . 1 68 68 ILE CB C 13 41.457 0.4 . 1 . . . . . 826 I CB . 50084 1 818 . 1 . 1 68 68 ILE CG1 C 13 27.790 0.4 . 1 . . . . . 826 I CG1 . 50084 1 819 . 1 . 1 68 68 ILE CG2 C 13 17.048 0.4 . 1 . . . . . 826 I CG2 . 50084 1 820 . 1 . 1 68 68 ILE CD1 C 13 13.665 0.4 . 1 . . . . . 826 I CD1 . 50084 1 821 . 1 . 1 68 68 ILE N N 15 125.363 0.4 . 1 . . . . . 826 I N . 50084 1 822 . 1 . 1 69 69 ILE H H 1 8.449 0.04 . 1 . . . . . 827 I H . 50084 1 823 . 1 . 1 69 69 ILE HA H 1 4.913 0.04 . 1 . . . . . 827 I HA . 50084 1 824 . 1 . 1 69 69 ILE HB H 1 1.895 0.04 . 1 . . . . . 827 I HB . 50084 1 825 . 1 . 1 69 69 ILE HG12 H 1 1.474 0.04 . 1 . . . . . 827 I HG12 . 50084 1 826 . 1 . 1 69 69 ILE HG13 H 1 0.809 0.04 . 1 . . . . . 827 I HG13 . 50084 1 827 . 1 . 1 69 69 ILE HG21 H 1 0.576 0.04 . 1 . . . . . 827 I HG21 . 50084 1 828 . 1 . 1 69 69 ILE HG22 H 1 0.576 0.04 . 1 . . . . . 827 I HG22 . 50084 1 829 . 1 . 1 69 69 ILE HG23 H 1 0.576 0.04 . 1 . . . . . 827 I HG23 . 50084 1 830 . 1 . 1 69 69 ILE HD11 H 1 0.255 0.04 . 1 . . . . . 827 I HD11 . 50084 1 831 . 1 . 1 69 69 ILE HD12 H 1 0.255 0.04 . 1 . . . . . 827 I HD12 . 50084 1 832 . 1 . 1 69 69 ILE HD13 H 1 0.255 0.04 . 1 . . . . . 827 I HD13 . 50084 1 833 . 1 . 1 69 69 ILE C C 13 173.977 0.4 . 1 . . . . . 827 I C . 50084 1 834 . 1 . 1 69 69 ILE CA C 13 60.929 0.4 . 1 . . . . . 827 I CA . 50084 1 835 . 1 . 1 69 69 ILE CB C 13 37.917 0.4 . 1 . . . . . 827 I CB . 50084 1 836 . 1 . 1 69 69 ILE CG1 C 13 26.920 0.4 . 1 . . . . . 827 I CG1 . 50084 1 837 . 1 . 1 69 69 ILE CG2 C 13 18.051 0.4 . 1 . . . . . 827 I CG2 . 50084 1 838 . 1 . 1 69 69 ILE CD1 C 13 13.850 0.4 . 1 . . . . . 827 I CD1 . 50084 1 839 . 1 . 1 69 69 ILE N N 15 124.955 0.4 . 1 . . . . . 827 I N . 50084 1 840 . 1 . 1 70 70 ALA H H 1 9.254 0.04 . 1 . . . . . 828 A H . 50084 1 841 . 1 . 1 70 70 ALA HA H 1 5.086 0.04 . 1 . . . . . 828 A HA . 50084 1 842 . 1 . 1 70 70 ALA HB1 H 1 1.172 0.04 . 1 . . . . . 828 A HB1 . 50084 1 843 . 1 . 1 70 70 ALA HB2 H 1 1.172 0.04 . 1 . . . . . 828 A HB2 . 50084 1 844 . 1 . 1 70 70 ALA HB3 H 1 1.172 0.04 . 1 . . . . . 828 A HB3 . 50084 1 845 . 1 . 1 70 70 ALA C C 13 175.837 0.4 . 1 . . . . . 828 A C . 50084 1 846 . 1 . 1 70 70 ALA CA C 13 48.764 0.4 . 1 . . . . . 828 A CA . 50084 1 847 . 1 . 1 70 70 ALA CB C 13 22.205 0.4 . 1 . . . . . 828 A CB . 50084 1 848 . 1 . 1 70 70 ALA N N 15 130.174 0.4 . 1 . . . . . 828 A N . 50084 1 849 . 1 . 1 71 71 LYS H H 1 7.306 0.04 . 1 . . . . . 829 K H . 50084 1 850 . 1 . 1 71 71 LYS HA H 1 3.952 0.04 . 1 . . . . . 829 K HA . 50084 1 851 . 1 . 1 71 71 LYS HB2 H 1 1.355 0.04 . 1 . . . . . 829 K HB2 . 50084 1 852 . 1 . 1 71 71 LYS HB3 H 1 -0.244 0.04 . 1 . . . . . 829 K HB3 . 50084 1 853 . 1 . 1 71 71 LYS HG2 H 1 1.058 0.04 . 1 . . . . . 829 K HG2 . 50084 1 854 . 1 . 1 71 71 LYS HG3 H 1 1.058 0.04 . 1 . . . . . 829 K HG3 . 50084 1 855 . 1 . 1 71 71 LYS HD2 H 1 1.300 0.04 . 1 . . . . . 829 K HD2 . 50084 1 856 . 1 . 1 71 71 LYS HD3 H 1 1.300 0.04 . 1 . . . . . 829 K HD3 . 50084 1 857 . 1 . 1 71 71 LYS HE2 H 1 2.526 0.04 . 1 . . . . . 829 K HE2 . 50084 1 858 . 1 . 1 71 71 LYS HE3 H 1 2.526 0.04 . 1 . . . . . 829 K HE3 . 50084 1 859 . 1 . 1 71 71 LYS C C 13 176.129 0.4 . 1 . . . . . 829 K C . 50084 1 860 . 1 . 1 71 71 LYS CA C 13 57.737 0.4 . 1 . . . . . 829 K CA . 50084 1 861 . 1 . 1 71 71 LYS CB C 13 30.941 0.4 . 1 . . . . . 829 K CB . 50084 1 862 . 1 . 1 71 71 LYS CG C 13 25.201 0.4 . 1 . . . . . 829 K CG . 50084 1 863 . 1 . 1 71 71 LYS CD C 13 28.944 0.4 . 1 . . . . . 829 K CD . 50084 1 864 . 1 . 1 71 71 LYS CE C 13 42.007 0.4 . 1 . . . . . 829 K CE . 50084 1 865 . 1 . 1 71 71 LYS N N 15 124.102 0.4 . 1 . . . . . 829 K N . 50084 1 866 . 1 . 1 72 72 ASN H H 1 7.203 0.04 . 1 . . . . . 830 N H . 50084 1 867 . 1 . 1 72 72 ASN HA H 1 5.130 0.04 . 1 . . . . . 830 N HA . 50084 1 868 . 1 . 1 72 72 ASN HB2 H 1 2.178 0.04 . 1 . . . . . 830 N HB2 . 50084 1 869 . 1 . 1 72 72 ASN HB3 H 1 2.093 0.04 . 1 . . . . . 830 N HB3 . 50084 1 870 . 1 . 1 72 72 ASN HD21 H 1 7.420 0.04 . 1 . . . . . 830 N HD21 . 50084 1 871 . 1 . 1 72 72 ASN HD22 H 1 6.947 0.04 . 1 . . . . . 830 N HD22 . 50084 1 872 . 1 . 1 72 72 ASN C C 13 173.836 0.4 . 1 . . . . . 830 N C . 50084 1 873 . 1 . 1 72 72 ASN CA C 13 50.455 0.4 . 1 . . . . . 830 N CA . 50084 1 874 . 1 . 1 72 72 ASN CB C 13 40.149 0.4 . 1 . . . . . 830 N CB . 50084 1 875 . 1 . 1 72 72 ASN CG C 13 175.830 0.4 . 1 . . . . . 830 N CG . 50084 1 876 . 1 . 1 72 72 ASN N N 15 125.853 0.4 . 1 . . . . . 830 N N . 50084 1 877 . 1 . 1 72 72 ASN ND2 N 15 111.367 0.4 . 1 . . . . . 830 N ND2 . 50084 1 878 . 1 . 1 73 73 GLY H H 1 7.723 0.04 . 1 . . . . . 831 G H . 50084 1 879 . 1 . 1 73 73 GLY HA2 H 1 4.298 0.04 . 1 . . . . . 831 G HA2 . 50084 1 880 . 1 . 1 73 73 GLY HA3 H 1 3.769 0.04 . 1 . . . . . 831 G HA3 . 50084 1 881 . 1 . 1 73 73 GLY C C 13 169.985 0.4 . 1 . . . . . 831 G C . 50084 1 882 . 1 . 1 73 73 GLY CA C 13 44.826 0.4 . 1 . . . . . 831 G CA . 50084 1 883 . 1 . 1 73 73 GLY N N 15 108.758 0.4 . 1 . . . . . 831 G N . 50084 1 884 . 1 . 1 74 74 PRO HA H 1 4.726 0.04 . 1 . . . . . 832 P HA . 50084 1 885 . 1 . 1 74 74 PRO HB2 H 1 2.287 0.04 . 1 . . . . . 832 P HB2 . 50084 1 886 . 1 . 1 74 74 PRO HB3 H 1 2.203 0.04 . 1 . . . . . 832 P HB3 . 50084 1 887 . 1 . 1 74 74 PRO HG2 H 1 2.047 0.04 . 1 . . . . . 832 P HG2 . 50084 1 888 . 1 . 1 74 74 PRO HG3 H 1 1.745 0.04 . 1 . . . . . 832 P HG3 . 50084 1 889 . 1 . 1 74 74 PRO HD2 H 1 3.559 0.04 . 1 . . . . . 832 P HD2 . 50084 1 890 . 1 . 1 74 74 PRO HD3 H 1 3.408 0.04 . 1 . . . . . 832 P HD3 . 50084 1 891 . 1 . 1 74 74 PRO C C 13 174.521 0.4 . 1 . . . . . 832 P C . 50084 1 892 . 1 . 1 74 74 PRO CA C 13 61.993 0.4 . 1 . . . . . 832 P CA . 50084 1 893 . 1 . 1 74 74 PRO CB C 13 33.553 0.4 . 1 . . . . . 832 P CB . 50084 1 894 . 1 . 1 74 74 PRO CG C 13 26.242 0.4 . 1 . . . . . 832 P CG . 50084 1 895 . 1 . 1 74 74 PRO CD C 13 48.970 0.4 . 1 . . . . . 832 P CD . 50084 1 896 . 1 . 1 75 75 ASP H H 1 7.877 0.04 . 1 . . . . . 833 D H . 50084 1 897 . 1 . 1 75 75 ASP HA H 1 3.835 0.04 . 1 . . . . . 833 D HA . 50084 1 898 . 1 . 1 75 75 ASP HB2 H 1 2.985 0.04 . 1 . . . . . 833 D HB2 . 50084 1 899 . 1 . 1 75 75 ASP HB3 H 1 2.531 0.04 . 1 . . . . . 833 D HB3 . 50084 1 900 . 1 . 1 75 75 ASP C C 13 174.403 0.4 . 1 . . . . . 833 D C . 50084 1 901 . 1 . 1 75 75 ASP CA C 13 57.621 0.4 . 1 . . . . . 833 D CA . 50084 1 902 . 1 . 1 75 75 ASP CB C 13 42.447 0.4 . 1 . . . . . 833 D CB . 50084 1 903 . 1 . 1 75 75 ASP N N 15 115.884 0.4 . 1 . . . . . 833 D N . 50084 1 904 . 1 . 1 76 76 THR H H 1 7.179 0.04 . 1 . . . . . 834 T H . 50084 1 905 . 1 . 1 76 76 THR HA H 1 4.718 0.04 . 1 . . . . . 834 T HA . 50084 1 906 . 1 . 1 76 76 THR HB H 1 4.306 0.04 . 1 . . . . . 834 T HB . 50084 1 907 . 1 . 1 76 76 THR HG21 H 1 1.238 0.04 . 1 . . . . . 834 T HG21 . 50084 1 908 . 1 . 1 76 76 THR HG22 H 1 1.238 0.04 . 1 . . . . . 834 T HG22 . 50084 1 909 . 1 . 1 76 76 THR HG23 H 1 1.238 0.04 . 1 . . . . . 834 T HG23 . 50084 1 910 . 1 . 1 76 76 THR C C 13 172.412 0.4 . 1 . . . . . 834 T C . 50084 1 911 . 1 . 1 76 76 THR CA C 13 59.333 0.4 . 1 . . . . . 834 T CA . 50084 1 912 . 1 . 1 76 76 THR CB C 13 68.482 0.4 . 1 . . . . . 834 T CB . 50084 1 913 . 1 . 1 76 76 THR CG2 C 13 20.556 0.4 . 1 . . . . . 834 T CG2 . 50084 1 914 . 1 . 1 76 76 THR N N 15 118.041 0.4 . 1 . . . . . 834 T N . 50084 1 915 . 1 . 1 77 77 GLU H H 1 8.312 0.04 . 1 . . . . . 835 E H . 50084 1 916 . 1 . 1 77 77 GLU HA H 1 4.592 0.04 . 1 . . . . . 835 E HA . 50084 1 917 . 1 . 1 77 77 GLU HB2 H 1 2.223 0.04 . 1 . . . . . 835 E HB2 . 50084 1 918 . 1 . 1 77 77 GLU HB3 H 1 1.991 0.04 . 1 . . . . . 835 E HB3 . 50084 1 919 . 1 . 1 77 77 GLU HG2 H 1 2.354 0.04 . 1 . . . . . 835 E HG2 . 50084 1 920 . 1 . 1 77 77 GLU HG3 H 1 2.354 0.04 . 1 . . . . . 835 E HG3 . 50084 1 921 . 1 . 1 77 77 GLU C C 13 177.902 0.4 . 1 . . . . . 835 E C . 50084 1 922 . 1 . 1 77 77 GLU CA C 13 56.381 0.4 . 1 . . . . . 835 E CA . 50084 1 923 . 1 . 1 77 77 GLU CB C 13 29.747 0.4 . 1 . . . . . 835 E CB . 50084 1 924 . 1 . 1 77 77 GLU CG C 13 36.463 0.4 . 1 . . . . . 835 E CG . 50084 1 925 . 1 . 1 77 77 GLU N N 15 121.413 0.4 . 1 . . . . . 835 E N . 50084 1 926 . 1 . 1 78 78 ARG H H 1 8.449 0.04 . 1 . . . . . 836 R H . 50084 1 927 . 1 . 1 78 78 ARG HA H 1 4.255 0.04 . 1 . . . . . 836 R HA . 50084 1 928 . 1 . 1 78 78 ARG HB2 H 1 2.017 0.04 . 1 . . . . . 836 R HB2 . 50084 1 929 . 1 . 1 78 78 ARG HB3 H 1 1.852 0.04 . 1 . . . . . 836 R HB3 . 50084 1 930 . 1 . 1 78 78 ARG HG2 H 1 1.856 0.04 . 1 . . . . . 836 R HG2 . 50084 1 931 . 1 . 1 78 78 ARG HG3 H 1 1.782 0.04 . 1 . . . . . 836 R HG3 . 50084 1 932 . 1 . 1 78 78 ARG HD2 H 1 3.294 0.04 . 1 . . . . . 836 R HD2 . 50084 1 933 . 1 . 1 78 78 ARG HD3 H 1 3.294 0.04 . 1 . . . . . 836 R HD3 . 50084 1 934 . 1 . 1 78 78 ARG C C 13 176.088 0.4 . 1 . . . . . 836 R C . 50084 1 935 . 1 . 1 78 78 ARG CA C 13 57.275 0.4 . 1 . . . . . 836 R CA . 50084 1 936 . 1 . 1 78 78 ARG CB C 13 30.730 0.4 . 1 . . . . . 836 R CB . 50084 1 937 . 1 . 1 78 78 ARG CG C 13 27.849 0.4 . 1 . . . . . 836 R CG . 50084 1 938 . 1 . 1 78 78 ARG CD C 13 43.349 0.4 . 1 . . . . . 836 R CD . 50084 1 939 . 1 . 1 78 78 ARG N N 15 121.819 0.4 . 1 . . . . . 836 R N . 50084 1 940 . 1 . 1 79 79 LEU H H 1 8.447 0.04 . 1 . . . . . 837 L H . 50084 1 941 . 1 . 1 79 79 LEU HA H 1 4.443 0.04 . 1 . . . . . 837 L HA . 50084 1 942 . 1 . 1 79 79 LEU HB2 H 1 1.822 0.04 . 1 . . . . . 837 L HB2 . 50084 1 943 . 1 . 1 79 79 LEU HB3 H 1 1.634 0.04 . 1 . . . . . 837 L HB3 . 50084 1 944 . 1 . 1 79 79 LEU HG H 1 1.720 0.04 . 1 . . . . . 837 L HG . 50084 1 945 . 1 . 1 79 79 LEU HD11 H 1 1.035 0.04 . 2 . . . . . 837 L HD11 . 50084 1 946 . 1 . 1 79 79 LEU HD12 H 1 1.035 0.04 . 2 . . . . . 837 L HD12 . 50084 1 947 . 1 . 1 79 79 LEU HD13 H 1 1.035 0.04 . 2 . . . . . 837 L HD13 . 50084 1 948 . 1 . 1 79 79 LEU HD21 H 1 0.968 0.04 . 2 . . . . . 837 L HD21 . 50084 1 949 . 1 . 1 79 79 LEU HD22 H 1 0.968 0.04 . 2 . . . . . 837 L HD22 . 50084 1 950 . 1 . 1 79 79 LEU HD23 H 1 0.968 0.04 . 2 . . . . . 837 L HD23 . 50084 1 951 . 1 . 1 79 79 LEU C C 13 174.951 0.4 . 1 . . . . . 837 L C . 50084 1 952 . 1 . 1 79 79 LEU CA C 13 53.641 0.4 . 1 . . . . . 837 L CA . 50084 1 953 . 1 . 1 79 79 LEU CB C 13 41.304 0.4 . 1 . . . . . 837 L CB . 50084 1 954 . 1 . 1 79 79 LEU CG C 13 26.910 0.4 . 1 . . . . . 837 L CG . 50084 1 955 . 1 . 1 79 79 LEU CD1 C 13 23.565 0.4 . 2 . . . . . 837 L CD1 . 50084 1 956 . 1 . 1 79 79 LEU CD2 C 13 25.043 0.4 . 2 . . . . . 837 L CD2 . 50084 1 957 . 1 . 1 79 79 LEU N N 15 120.676 0.4 . 1 . . . . . 837 L N . 50084 1 958 . 1 . 1 80 80 PRO HA H 1 4.929 0.04 . 1 . . . . . 838 P HA . 50084 1 959 . 1 . 1 80 80 PRO HB2 H 1 2.148 0.04 . 1 . . . . . 838 P HB2 . 50084 1 960 . 1 . 1 80 80 PRO HB3 H 1 1.909 0.04 . 1 . . . . . 838 P HB3 . 50084 1 961 . 1 . 1 80 80 PRO HG2 H 1 2.669 0.04 . 1 . . . . . 838 P HG2 . 50084 1 962 . 1 . 1 80 80 PRO HG3 H 1 1.984 0.04 . 1 . . . . . 838 P HG3 . 50084 1 963 . 1 . 1 80 80 PRO HD2 H 1 4.297 0.04 . 1 . . . . . 838 P HD2 . 50084 1 964 . 1 . 1 80 80 PRO HD3 H 1 3.544 0.04 . 1 . . . . . 838 P HD3 . 50084 1 965 . 1 . 1 80 80 PRO C C 13 174.141 0.4 . 1 . . . . . 838 P C . 50084 1 966 . 1 . 1 80 80 PRO CA C 13 63.100 0.4 . 1 . . . . . 838 P CA . 50084 1 967 . 1 . 1 80 80 PRO CB C 13 32.869 0.4 . 1 . . . . . 838 P CB . 50084 1 968 . 1 . 1 80 80 PRO CG C 13 27.791 0.4 . 1 . . . . . 838 P CG . 50084 1 969 . 1 . 1 80 80 PRO CD C 13 50.028 0.4 . 1 . . . . . 838 P CD . 50084 1 970 . 1 . 1 81 81 THR H H 1 8.161 0.04 . 1 . . . . . 839 T H . 50084 1 971 . 1 . 1 81 81 THR HA H 1 4.954 0.04 . 1 . . . . . 839 T HA . 50084 1 972 . 1 . 1 81 81 THR HB H 1 4.368 0.04 . 1 . . . . . 839 T HB . 50084 1 973 . 1 . 1 81 81 THR HG21 H 1 1.297 0.04 . 1 . . . . . 839 T HG21 . 50084 1 974 . 1 . 1 81 81 THR HG22 H 1 1.297 0.04 . 1 . . . . . 839 T HG22 . 50084 1 975 . 1 . 1 81 81 THR HG23 H 1 1.297 0.04 . 1 . . . . . 839 T HG23 . 50084 1 976 . 1 . 1 81 81 THR C C 13 172.327 0.4 . 1 . . . . . 839 T C . 50084 1 977 . 1 . 1 81 81 THR CA C 13 60.013 0.4 . 1 . . . . . 839 T CA . 50084 1 978 . 1 . 1 81 81 THR CB C 13 72.198 0.4 . 1 . . . . . 839 T CB . 50084 1 979 . 1 . 1 81 81 THR CG2 C 13 22.540 0.4 . 1 . . . . . 839 T CG2 . 50084 1 980 . 1 . 1 81 81 THR N N 15 110.540 0.4 . 1 . . . . . 839 T N . 50084 1 981 . 1 . 1 82 82 SER H H 1 8.319 0.04 . 1 . . . . . 840 S H . 50084 1 982 . 1 . 1 82 82 SER HA H 1 5.339 0.04 . 1 . . . . . 840 S HA . 50084 1 983 . 1 . 1 82 82 SER HB2 H 1 3.662 0.04 . 1 . . . . . 840 S HB2 . 50084 1 984 . 1 . 1 82 82 SER HB3 H 1 3.183 0.04 . 1 . . . . . 840 S HB3 . 50084 1 985 . 1 . 1 82 82 SER C C 13 174.222 0.4 . 1 . . . . . 840 S C . 50084 1 986 . 1 . 1 82 82 SER CA C 13 55.783 0.4 . 1 . . . . . 840 S CA . 50084 1 987 . 1 . 1 82 82 SER CB C 13 66.505 0.4 . 1 . . . . . 840 S CB . 50084 1 988 . 1 . 1 82 82 SER N N 15 112.729 0.4 . 1 . . . . . 840 S N . 50084 1 989 . 1 . 1 83 83 HIS H H 1 8.921 0.04 . 1 . . . . . 841 H H . 50084 1 990 . 1 . 1 83 83 HIS HA H 1 5.267 0.04 . 1 . . . . . 841 H HA . 50084 1 991 . 1 . 1 83 83 HIS HB2 H 1 3.278 0.04 . 1 . . . . . 841 H HB2 . 50084 1 992 . 1 . 1 83 83 HIS HB3 H 1 3.107 0.04 . 1 . . . . . 841 H HB3 . 50084 1 993 . 1 . 1 83 83 HIS HD2 H 1 7.097 0.04 . 1 . . . . . 841 H HD2 . 50084 1 994 . 1 . 1 83 83 HIS C C 13 176.917 0.4 . 1 . . . . . 841 H C . 50084 1 995 . 1 . 1 83 83 HIS CA C 13 53.389 0.4 . 1 . . . . . 841 H CA . 50084 1 996 . 1 . 1 83 83 HIS CB C 13 30.513 0.4 . 1 . . . . . 841 H CB . 50084 1 997 . 1 . 1 83 83 HIS CD2 C 13 118.766 0.4 . 1 . . . . . 841 H CD2 . 50084 1 998 . 1 . 1 83 83 HIS N N 15 119.708 0.4 . 1 . . . . . 841 H N . 50084 1 999 . 1 . 1 84 84 THR H H 1 8.768 0.04 . 1 . . . . . 842 T H . 50084 1 1000 . 1 . 1 84 84 THR HA H 1 4.211 0.04 . 1 . . . . . 842 T HA . 50084 1 1001 . 1 . 1 84 84 THR HB H 1 3.841 0.04 . 1 . . . . . 842 T HB . 50084 1 1002 . 1 . 1 84 84 THR HG21 H 1 1.048 0.04 . 1 . . . . . 842 T HG21 . 50084 1 1003 . 1 . 1 84 84 THR HG22 H 1 1.048 0.04 . 1 . . . . . 842 T HG22 . 50084 1 1004 . 1 . 1 84 84 THR HG23 H 1 1.048 0.04 . 1 . . . . . 842 T HG23 . 50084 1 1005 . 1 . 1 84 84 THR C C 13 177.071 0.4 . 1 . . . . . 842 T C . 50084 1 1006 . 1 . 1 84 84 THR CA C 13 64.989 0.4 . 1 . . . . . 842 T CA . 50084 1 1007 . 1 . 1 84 84 THR CB C 13 68.297 0.4 . 1 . . . . . 842 T CB . 50084 1 1008 . 1 . 1 84 84 THR CG2 C 13 22.191 0.4 . 1 . . . . . 842 T CG2 . 50084 1 1009 . 1 . 1 84 84 THR N N 15 117.942 0.4 . 1 . . . . . 842 T N . 50084 1 1010 . 1 . 1 85 85 CYS H H 1 8.376 0.04 . 1 . . . . . 843 C H . 50084 1 1011 . 1 . 1 85 85 CYS HA H 1 4.175 0.04 . 1 . . . . . 843 C HA . 50084 1 1012 . 1 . 1 85 85 CYS HB2 H 1 2.514 0.04 . 1 . . . . . 843 C HB2 . 50084 1 1013 . 1 . 1 85 85 CYS HB3 H 1 2.589 0.04 . 1 . . . . . 843 C HB3 . 50084 1 1014 . 1 . 1 85 85 CYS C C 13 174.473 0.4 . 1 . . . . . 843 C C . 50084 1 1015 . 1 . 1 85 85 CYS CA C 13 60.355 0.4 . 1 . . . . . 843 C CA . 50084 1 1016 . 1 . 1 85 85 CYS CB C 13 26.831 0.4 . 1 . . . . . 843 C CB . 50084 1 1017 . 1 . 1 85 85 CYS N N 15 117.899 0.4 . 1 . . . . . 843 C N . 50084 1 1018 . 1 . 1 86 86 PHE H H 1 7.125 0.04 . 1 . . . . . 844 F H . 50084 1 1019 . 1 . 1 86 86 PHE HA H 1 4.958 0.04 . 1 . . . . . 844 F HA . 50084 1 1020 . 1 . 1 86 86 PHE HB2 H 1 3.567 0.04 . 1 . . . . . 844 F HB2 . 50084 1 1021 . 1 . 1 86 86 PHE HB3 H 1 2.512 0.04 . 1 . . . . . 844 F HB3 . 50084 1 1022 . 1 . 1 86 86 PHE HD1 H 1 7.064 0.04 . 3 . . . . . 844 F HD1 . 50084 1 1023 . 1 . 1 86 86 PHE HD2 H 1 7.064 0.04 . 3 . . . . . 844 F HD2 . 50084 1 1024 . 1 . 1 86 86 PHE C C 13 173.925 0.4 . 1 . . . . . 844 F C . 50084 1 1025 . 1 . 1 86 86 PHE CA C 13 55.883 0.4 . 1 . . . . . 844 F CA . 50084 1 1026 . 1 . 1 86 86 PHE CB C 13 41.257 0.4 . 1 . . . . . 844 F CB . 50084 1 1027 . 1 . 1 86 86 PHE CD1 C 13 131.563 0.4 . 3 . . . . . 844 F CD1 . 50084 1 1028 . 1 . 1 86 86 PHE CD2 C 13 131.563 0.4 . 3 . . . . . 844 F CD2 . 50084 1 1029 . 1 . 1 86 86 PHE N N 15 116.606 0.4 . 1 . . . . . 844 F N . 50084 1 1030 . 1 . 1 87 87 ASN H H 1 7.849 0.04 . 1 . . . . . 845 N H . 50084 1 1031 . 1 . 1 87 87 ASN HA H 1 4.559 0.04 . 1 . . . . . 845 N HA . 50084 1 1032 . 1 . 1 87 87 ASN HB2 H 1 3.277 0.04 . 1 . . . . . 845 N HB2 . 50084 1 1033 . 1 . 1 87 87 ASN HB3 H 1 2.579 0.04 . 1 . . . . . 845 N HB3 . 50084 1 1034 . 1 . 1 87 87 ASN HD21 H 1 7.445 0.04 . 1 . . . . . 845 N HD21 . 50084 1 1035 . 1 . 1 87 87 ASN HD22 H 1 6.637 0.04 . 1 . . . . . 845 N HD22 . 50084 1 1036 . 1 . 1 87 87 ASN C C 13 172.610 0.4 . 1 . . . . . 845 N C . 50084 1 1037 . 1 . 1 87 87 ASN CA C 13 54.016 0.4 . 1 . . . . . 845 N CA . 50084 1 1038 . 1 . 1 87 87 ASN CB C 13 37.097 0.4 . 1 . . . . . 845 N CB . 50084 1 1039 . 1 . 1 87 87 ASN CG C 13 176.327 0.4 . 1 . . . . . 845 N CG . 50084 1 1040 . 1 . 1 87 87 ASN N N 15 117.500 0.4 . 1 . . . . . 845 N N . 50084 1 1041 . 1 . 1 87 87 ASN ND2 N 15 110.707 0.4 . 1 . . . . . 845 N ND2 . 50084 1 1042 . 1 . 1 88 88 VAL H H 1 7.319 0.04 . 1 . . . . . 846 V H . 50084 1 1043 . 1 . 1 88 88 VAL HA H 1 4.971 0.04 . 1 . . . . . 846 V HA . 50084 1 1044 . 1 . 1 88 88 VAL HB H 1 1.885 0.04 . 1 . . . . . 846 V HB . 50084 1 1045 . 1 . 1 88 88 VAL HG11 H 1 0.967 0.04 . 2 . . . . . 846 V HG11 . 50084 1 1046 . 1 . 1 88 88 VAL HG12 H 1 0.967 0.04 . 2 . . . . . 846 V HG12 . 50084 1 1047 . 1 . 1 88 88 VAL HG13 H 1 0.967 0.04 . 2 . . . . . 846 V HG13 . 50084 1 1048 . 1 . 1 88 88 VAL HG21 H 1 0.812 0.04 . 2 . . . . . 846 V HG21 . 50084 1 1049 . 1 . 1 88 88 VAL HG22 H 1 0.812 0.04 . 2 . . . . . 846 V HG22 . 50084 1 1050 . 1 . 1 88 88 VAL HG23 H 1 0.812 0.04 . 2 . . . . . 846 V HG23 . 50084 1 1051 . 1 . 1 88 88 VAL C C 13 174.724 0.4 . 1 . . . . . 846 V C . 50084 1 1052 . 1 . 1 88 88 VAL CA C 13 60.259 0.4 . 1 . . . . . 846 V CA . 50084 1 1053 . 1 . 1 88 88 VAL CB C 13 35.219 0.4 . 1 . . . . . 846 V CB . 50084 1 1054 . 1 . 1 88 88 VAL CG1 C 13 21.976 0.4 . 2 . . . . . 846 V CG1 . 50084 1 1055 . 1 . 1 88 88 VAL CG2 C 13 21.271 0.4 . 2 . . . . . 846 V CG2 . 50084 1 1056 . 1 . 1 88 88 VAL N N 15 115.106 0.4 . 1 . . . . . 846 V N . 50084 1 1057 . 1 . 1 89 89 LEU H H 1 9.319 0.04 . 1 . . . . . 847 L H . 50084 1 1058 . 1 . 1 89 89 LEU HA H 1 4.673 0.04 . 1 . . . . . 847 L HA . 50084 1 1059 . 1 . 1 89 89 LEU HB2 H 1 2.089 0.04 . 1 . . . . . 847 L HB2 . 50084 1 1060 . 1 . 1 89 89 LEU HB3 H 1 1.347 0.04 . 1 . . . . . 847 L HB3 . 50084 1 1061 . 1 . 1 89 89 LEU HG H 1 1.186 0.04 . 1 . . . . . 847 L HG . 50084 1 1062 . 1 . 1 89 89 LEU HD11 H 1 1.159 0.04 . 2 . . . . . 847 L HD11 . 50084 1 1063 . 1 . 1 89 89 LEU HD12 H 1 1.159 0.04 . 2 . . . . . 847 L HD12 . 50084 1 1064 . 1 . 1 89 89 LEU HD13 H 1 1.159 0.04 . 2 . . . . . 847 L HD13 . 50084 1 1065 . 1 . 1 89 89 LEU HD21 H 1 1.003 0.04 . 2 . . . . . 847 L HD21 . 50084 1 1066 . 1 . 1 89 89 LEU HD22 H 1 1.003 0.04 . 2 . . . . . 847 L HD22 . 50084 1 1067 . 1 . 1 89 89 LEU HD23 H 1 1.003 0.04 . 2 . . . . . 847 L HD23 . 50084 1 1068 . 1 . 1 89 89 LEU C C 13 173.863 0.4 . 1 . . . . . 847 L C . 50084 1 1069 . 1 . 1 89 89 LEU CA C 13 53.481 0.4 . 1 . . . . . 847 L CA . 50084 1 1070 . 1 . 1 89 89 LEU CB C 13 44.059 0.4 . 1 . . . . . 847 L CB . 50084 1 1071 . 1 . 1 89 89 LEU CG C 13 27.641 0.4 . 1 . . . . . 847 L CG . 50084 1 1072 . 1 . 1 89 89 LEU CD1 C 13 23.852 0.4 . 2 . . . . . 847 L CD1 . 50084 1 1073 . 1 . 1 89 89 LEU CD2 C 13 24.032 0.4 . 2 . . . . . 847 L CD2 . 50084 1 1074 . 1 . 1 89 89 LEU N N 15 129.440 0.4 . 1 . . . . . 847 L N . 50084 1 1075 . 1 . 1 90 90 LEU H H 1 9.093 0.04 . 1 . . . . . 848 L H . 50084 1 1076 . 1 . 1 90 90 LEU HA H 1 4.857 0.04 . 1 . . . . . 848 L HA . 50084 1 1077 . 1 . 1 90 90 LEU HB2 H 1 2.015 0.04 . 1 . . . . . 848 L HB2 . 50084 1 1078 . 1 . 1 90 90 LEU HB3 H 1 0.953 0.04 . 1 . . . . . 848 L HB3 . 50084 1 1079 . 1 . 1 90 90 LEU HG H 1 1.305 0.04 . 1 . . . . . 848 L HG . 50084 1 1080 . 1 . 1 90 90 LEU HD11 H 1 0.634 0.04 . 2 . . . . . 848 L HD11 . 50084 1 1081 . 1 . 1 90 90 LEU HD12 H 1 0.634 0.04 . 2 . . . . . 848 L HD12 . 50084 1 1082 . 1 . 1 90 90 LEU HD13 H 1 0.634 0.04 . 2 . . . . . 848 L HD13 . 50084 1 1083 . 1 . 1 90 90 LEU HD21 H 1 0.485 0.04 . 2 . . . . . 848 L HD21 . 50084 1 1084 . 1 . 1 90 90 LEU HD22 H 1 0.485 0.04 . 2 . . . . . 848 L HD22 . 50084 1 1085 . 1 . 1 90 90 LEU HD23 H 1 0.485 0.04 . 2 . . . . . 848 L HD23 . 50084 1 1086 . 1 . 1 90 90 LEU C C 13 174.963 0.4 . 1 . . . . . 848 L C . 50084 1 1087 . 1 . 1 90 90 LEU CA C 13 54.713 0.4 . 1 . . . . . 848 L CA . 50084 1 1088 . 1 . 1 90 90 LEU CB C 13 40.333 0.4 . 1 . . . . . 848 L CB . 50084 1 1089 . 1 . 1 90 90 LEU CG C 13 27.749 0.4 . 1 . . . . . 848 L CG . 50084 1 1090 . 1 . 1 90 90 LEU CD1 C 13 24.892 0.4 . 2 . . . . . 848 L CD1 . 50084 1 1091 . 1 . 1 90 90 LEU CD2 C 13 25.172 0.4 . 2 . . . . . 848 L CD2 . 50084 1 1092 . 1 . 1 90 90 LEU N N 15 129.254 0.4 . 1 . . . . . 848 L N . 50084 1 1093 . 1 . 1 91 91 LEU H H 1 8.672 0.04 . 1 . . . . . 849 L H . 50084 1 1094 . 1 . 1 91 91 LEU HA H 1 5.086 0.04 . 1 . . . . . 849 L HA . 50084 1 1095 . 1 . 1 91 91 LEU HB2 H 1 1.962 0.04 . 1 . . . . . 849 L HB2 . 50084 1 1096 . 1 . 1 91 91 LEU HB3 H 1 1.097 0.04 . 1 . . . . . 849 L HB3 . 50084 1 1097 . 1 . 1 91 91 LEU HG H 1 1.821 0.04 . 1 . . . . . 849 L HG . 50084 1 1098 . 1 . 1 91 91 LEU HD11 H 1 0.999 0.04 . 2 . . . . . 849 L HD11 . 50084 1 1099 . 1 . 1 91 91 LEU HD12 H 1 0.999 0.04 . 2 . . . . . 849 L HD12 . 50084 1 1100 . 1 . 1 91 91 LEU HD13 H 1 0.999 0.04 . 2 . . . . . 849 L HD13 . 50084 1 1101 . 1 . 1 91 91 LEU HD21 H 1 0.588 0.04 . 2 . . . . . 849 L HD21 . 50084 1 1102 . 1 . 1 91 91 LEU HD22 H 1 0.588 0.04 . 2 . . . . . 849 L HD22 . 50084 1 1103 . 1 . 1 91 91 LEU HD23 H 1 0.588 0.04 . 2 . . . . . 849 L HD23 . 50084 1 1104 . 1 . 1 91 91 LEU C C 13 174.780 0.4 . 1 . . . . . 849 L C . 50084 1 1105 . 1 . 1 91 91 LEU CA C 13 50.814 0.4 . 1 . . . . . 849 L CA . 50084 1 1106 . 1 . 1 91 91 LEU CB C 13 46.552 0.4 . 1 . . . . . 849 L CB . 50084 1 1107 . 1 . 1 91 91 LEU CG C 13 26.290 0.4 . 1 . . . . . 849 L CG . 50084 1 1108 . 1 . 1 91 91 LEU CD1 C 13 24.708 0.4 . 2 . . . . . 849 L CD1 . 50084 1 1109 . 1 . 1 91 91 LEU CD2 C 13 25.644 0.4 . 2 . . . . . 849 L CD2 . 50084 1 1110 . 1 . 1 91 91 LEU N N 15 125.692 0.4 . 1 . . . . . 849 L N . 50084 1 1111 . 1 . 1 92 92 PRO HA H 1 3.947 0.04 . 1 . . . . . 850 P HA . 50084 1 1112 . 1 . 1 92 92 PRO HB2 H 1 1.981 0.04 . 1 . . . . . 850 P HB2 . 50084 1 1113 . 1 . 1 92 92 PRO HB3 H 1 0.333 0.04 . 1 . . . . . 850 P HB3 . 50084 1 1114 . 1 . 1 92 92 PRO HG2 H 1 1.805 0.04 . 1 . . . . . 850 P HG2 . 50084 1 1115 . 1 . 1 92 92 PRO HG3 H 1 1.595 0.04 . 1 . . . . . 850 P HG3 . 50084 1 1116 . 1 . 1 92 92 PRO HD2 H 1 4.203 0.04 . 1 . . . . . 850 P HD2 . 50084 1 1117 . 1 . 1 92 92 PRO HD3 H 1 3.445 0.04 . 1 . . . . . 850 P HD3 . 50084 1 1118 . 1 . 1 92 92 PRO C C 13 173.539 0.4 . 1 . . . . . 850 P C . 50084 1 1119 . 1 . 1 92 92 PRO CA C 13 62.463 0.4 . 1 . . . . . 850 P CA . 50084 1 1120 . 1 . 1 92 92 PRO CB C 13 33.116 0.4 . 1 . . . . . 850 P CB . 50084 1 1121 . 1 . 1 92 92 PRO CG C 13 27.342 0.4 . 1 . . . . . 850 P CG . 50084 1 1122 . 1 . 1 92 92 PRO CD C 13 51.407 0.4 . 1 . . . . . 850 P CD . 50084 1 1123 . 1 . 1 93 93 GLU H H 1 7.993 0.04 . 1 . . . . . 851 E H . 50084 1 1124 . 1 . 1 93 93 GLU HA H 1 4.524 0.04 . 1 . . . . . 851 E HA . 50084 1 1125 . 1 . 1 93 93 GLU HB2 H 1 1.959 0.04 . 1 . . . . . 851 E HB2 . 50084 1 1126 . 1 . 1 93 93 GLU HB3 H 1 1.745 0.04 . 1 . . . . . 851 E HB3 . 50084 1 1127 . 1 . 1 93 93 GLU HG2 H 1 2.363 0.04 . 1 . . . . . 851 E HG2 . 50084 1 1128 . 1 . 1 93 93 GLU HG3 H 1 2.225 0.04 . 1 . . . . . 851 E HG3 . 50084 1 1129 . 1 . 1 93 93 GLU C C 13 175.085 0.4 . 1 . . . . . 851 E C . 50084 1 1130 . 1 . 1 93 93 GLU CA C 13 54.175 0.4 . 1 . . . . . 851 E CA . 50084 1 1131 . 1 . 1 93 93 GLU CB C 13 28.711 0.4 . 1 . . . . . 851 E CB . 50084 1 1132 . 1 . 1 93 93 GLU CG C 13 37.732 0.4 . 1 . . . . . 851 E CG . 50084 1 1133 . 1 . 1 93 93 GLU N N 15 121.599 0.4 . 1 . . . . . 851 E N . 50084 1 1134 . 1 . 1 94 94 TYR H H 1 7.391 0.04 . 1 . . . . . 852 Y H . 50084 1 1135 . 1 . 1 94 94 TYR HA H 1 5.069 0.04 . 1 . . . . . 852 Y HA . 50084 1 1136 . 1 . 1 94 94 TYR HB2 H 1 3.179 0.04 . 1 . . . . . 852 Y HB2 . 50084 1 1137 . 1 . 1 94 94 TYR HB3 H 1 2.582 0.04 . 1 . . . . . 852 Y HB3 . 50084 1 1138 . 1 . 1 94 94 TYR HD1 H 1 7.411 0.04 . 3 . . . . . 852 Y HD1 . 50084 1 1139 . 1 . 1 94 94 TYR HD2 H 1 7.411 0.04 . 3 . . . . . 852 Y HD2 . 50084 1 1140 . 1 . 1 94 94 TYR HE1 H 1 6.941 0.04 . 3 . . . . . 852 Y HE1 . 50084 1 1141 . 1 . 1 94 94 TYR HE2 H 1 6.941 0.04 . 3 . . . . . 852 Y HE2 . 50084 1 1142 . 1 . 1 94 94 TYR C C 13 176.784 0.4 . 1 . . . . . 852 Y C . 50084 1 1143 . 1 . 1 94 94 TYR CA C 13 58.855 0.4 . 1 . . . . . 852 Y CA . 50084 1 1144 . 1 . 1 94 94 TYR CB C 13 40.435 0.4 . 1 . . . . . 852 Y CB . 50084 1 1145 . 1 . 1 94 94 TYR CD1 C 13 132.612 0.4 . 3 . . . . . 852 Y CD1 . 50084 1 1146 . 1 . 1 94 94 TYR CD2 C 13 132.612 0.4 . 3 . . . . . 852 Y CD2 . 50084 1 1147 . 1 . 1 94 94 TYR CE1 C 13 118.459 0.4 . 3 . . . . . 852 Y CE1 . 50084 1 1148 . 1 . 1 94 94 TYR CE2 C 13 118.459 0.4 . 3 . . . . . 852 Y CE2 . 50084 1 1149 . 1 . 1 94 94 TYR N N 15 121.851 0.4 . 1 . . . . . 852 Y N . 50084 1 1150 . 1 . 1 95 95 SER H H 1 7.861 0.04 . 1 . . . . . 853 S H . 50084 1 1151 . 1 . 1 95 95 SER HA H 1 4.270 0.04 . 1 . . . . . 853 S HA . 50084 1 1152 . 1 . 1 95 95 SER HB2 H 1 4.180 0.04 . 1 . . . . . 853 S HB2 . 50084 1 1153 . 1 . 1 95 95 SER HB3 H 1 3.879 0.04 . 1 . . . . . 853 S HB3 . 50084 1 1154 . 1 . 1 95 95 SER C C 13 174.040 0.4 . 1 . . . . . 853 S C . 50084 1 1155 . 1 . 1 95 95 SER CA C 13 59.442 0.4 . 1 . . . . . 853 S CA . 50084 1 1156 . 1 . 1 95 95 SER CB C 13 64.401 0.4 . 1 . . . . . 853 S CB . 50084 1 1157 . 1 . 1 95 95 SER N N 15 110.564 0.4 . 1 . . . . . 853 S N . 50084 1 1158 . 1 . 1 96 96 SER H H 1 7.219 0.04 . 1 . . . . . 854 S H . 50084 1 1159 . 1 . 1 96 96 SER HA H 1 4.925 0.04 . 1 . . . . . 854 S HA . 50084 1 1160 . 1 . 1 96 96 SER HB2 H 1 4.288 0.04 . 1 . . . . . 854 S HB2 . 50084 1 1161 . 1 . 1 96 96 SER HB3 H 1 4.072 0.04 . 1 . . . . . 854 S HB3 . 50084 1 1162 . 1 . 1 96 96 SER C C 13 173.807 0.4 . 1 . . . . . 854 S C . 50084 1 1163 . 1 . 1 96 96 SER CA C 13 57.445 0.4 . 1 . . . . . 854 S CA . 50084 1 1164 . 1 . 1 96 96 SER CB C 13 66.619 0.4 . 1 . . . . . 854 S CB . 50084 1 1165 . 1 . 1 96 96 SER N N 15 112.162 0.4 . 1 . . . . . 854 S N . 50084 1 1166 . 1 . 1 97 97 LYS H H 1 9.051 0.04 . 1 . . . . . 855 K H . 50084 1 1167 . 1 . 1 97 97 LYS HA H 1 3.865 0.04 . 1 . . . . . 855 K HA . 50084 1 1168 . 1 . 1 97 97 LYS HB2 H 1 1.779 0.04 . 1 . . . . . 855 K HB2 . 50084 1 1169 . 1 . 1 97 97 LYS HB3 H 1 1.779 0.04 . 1 . . . . . 855 K HB3 . 50084 1 1170 . 1 . 1 97 97 LYS HG2 H 1 1.381 0.04 . 1 . . . . . 855 K HG2 . 50084 1 1171 . 1 . 1 97 97 LYS HG3 H 1 1.255 0.04 . 1 . . . . . 855 K HG3 . 50084 1 1172 . 1 . 1 97 97 LYS HD2 H 1 1.701 0.04 . 1 . . . . . 855 K HD2 . 50084 1 1173 . 1 . 1 97 97 LYS HD3 H 1 1.701 0.04 . 1 . . . . . 855 K HD3 . 50084 1 1174 . 1 . 1 97 97 LYS HE2 H 1 2.939 0.04 . 1 . . . . . 855 K HE2 . 50084 1 1175 . 1 . 1 97 97 LYS HE3 H 1 2.939 0.04 . 1 . . . . . 855 K HE3 . 50084 1 1176 . 1 . 1 97 97 LYS C C 13 177.673 0.4 . 1 . . . . . 855 K C . 50084 1 1177 . 1 . 1 97 97 LYS CA C 13 59.411 0.4 . 1 . . . . . 855 K CA . 50084 1 1178 . 1 . 1 97 97 LYS CB C 13 32.601 0.4 . 1 . . . . . 855 K CB . 50084 1 1179 . 1 . 1 97 97 LYS CG C 13 25.520 0.4 . 1 . . . . . 855 K CG . 50084 1 1180 . 1 . 1 97 97 LYS CD C 13 29.823 0.4 . 1 . . . . . 855 K CD . 50084 1 1181 . 1 . 1 97 97 LYS CE C 13 41.952 0.4 . 1 . . . . . 855 K CE . 50084 1 1182 . 1 . 1 97 97 LYS N N 15 122.337 0.4 . 1 . . . . . 855 K N . 50084 1 1183 . 1 . 1 98 98 GLU H H 1 8.725 0.04 . 1 . . . . . 856 E H . 50084 1 1184 . 1 . 1 98 98 GLU HA H 1 3.926 0.04 . 1 . . . . . 856 E HA . 50084 1 1185 . 1 . 1 98 98 GLU HB2 H 1 2.058 0.04 . 1 . . . . . 856 E HB2 . 50084 1 1186 . 1 . 1 98 98 GLU HB3 H 1 1.933 0.04 . 1 . . . . . 856 E HB3 . 50084 1 1187 . 1 . 1 98 98 GLU HG2 H 1 2.454 0.04 . 1 . . . . . 856 E HG2 . 50084 1 1188 . 1 . 1 98 98 GLU HG3 H 1 2.277 0.04 . 1 . . . . . 856 E HG3 . 50084 1 1189 . 1 . 1 98 98 GLU C C 13 179.008 0.4 . 1 . . . . . 856 E C . 50084 1 1190 . 1 . 1 98 98 GLU CA C 13 60.206 0.4 . 1 . . . . . 856 E CA . 50084 1 1191 . 1 . 1 98 98 GLU CB C 13 28.418 0.4 . 1 . . . . . 856 E CB . 50084 1 1192 . 1 . 1 98 98 GLU CG C 13 36.811 0.4 . 1 . . . . . 856 E CG . 50084 1 1193 . 1 . 1 98 98 GLU N N 15 118.848 0.4 . 1 . . . . . 856 E N . 50084 1 1194 . 1 . 1 99 99 LYS H H 1 7.883 0.04 . 1 . . . . . 857 K H . 50084 1 1195 . 1 . 1 99 99 LYS HA H 1 4.101 0.04 . 1 . . . . . 857 K HA . 50084 1 1196 . 1 . 1 99 99 LYS HB2 H 1 1.830 0.04 . 1 . . . . . 857 K HB2 . 50084 1 1197 . 1 . 1 99 99 LYS HB3 H 1 1.696 0.04 . 1 . . . . . 857 K HB3 . 50084 1 1198 . 1 . 1 99 99 LYS HG2 H 1 1.349 0.04 . 1 . . . . . 857 K HG2 . 50084 1 1199 . 1 . 1 99 99 LYS HG3 H 1 1.349 0.04 . 1 . . . . . 857 K HG3 . 50084 1 1200 . 1 . 1 99 99 LYS HD2 H 1 1.840 0.04 . 1 . . . . . 857 K HD2 . 50084 1 1201 . 1 . 1 99 99 LYS HD3 H 1 1.840 0.04 . 1 . . . . . 857 K HD3 . 50084 1 1202 . 1 . 1 99 99 LYS HE2 H 1 3.078 0.04 . 1 . . . . . 857 K HE2 . 50084 1 1203 . 1 . 1 99 99 LYS HE3 H 1 3.078 0.04 . 1 . . . . . 857 K HE3 . 50084 1 1204 . 1 . 1 99 99 LYS C C 13 177.118 0.4 . 1 . . . . . 857 K C . 50084 1 1205 . 1 . 1 99 99 LYS CA C 13 59.539 0.4 . 1 . . . . . 857 K CA . 50084 1 1206 . 1 . 1 99 99 LYS CB C 13 33.727 0.4 . 1 . . . . . 857 K CB . 50084 1 1207 . 1 . 1 99 99 LYS CG C 13 25.468 0.4 . 1 . . . . . 857 K CG . 50084 1 1208 . 1 . 1 99 99 LYS CD C 13 30.731 0.4 . 1 . . . . . 857 K CD . 50084 1 1209 . 1 . 1 99 99 LYS CE C 13 42.320 0.4 . 1 . . . . . 857 K CE . 50084 1 1210 . 1 . 1 99 99 LYS N N 15 121.843 0.4 . 1 . . . . . 857 K N . 50084 1 1211 . 1 . 1 100 100 LEU H H 1 7.780 0.04 . 1 . . . . . 858 L H . 50084 1 1212 . 1 . 1 100 100 LEU HA H 1 3.802 0.04 . 1 . . . . . 858 L HA . 50084 1 1213 . 1 . 1 100 100 LEU HB2 H 1 2.205 0.04 . 1 . . . . . 858 L HB2 . 50084 1 1214 . 1 . 1 100 100 LEU HB3 H 1 1.682 0.04 . 1 . . . . . 858 L HB3 . 50084 1 1215 . 1 . 1 100 100 LEU HG H 1 1.613 0.04 . 1 . . . . . 858 L HG . 50084 1 1216 . 1 . 1 100 100 LEU HD11 H 1 1.096 0.04 . 2 . . . . . 858 L HD11 . 50084 1 1217 . 1 . 1 100 100 LEU HD12 H 1 1.096 0.04 . 2 . . . . . 858 L HD12 . 50084 1 1218 . 1 . 1 100 100 LEU HD13 H 1 1.096 0.04 . 2 . . . . . 858 L HD13 . 50084 1 1219 . 1 . 1 100 100 LEU HD21 H 1 1.352 0.04 . 2 . . . . . 858 L HD21 . 50084 1 1220 . 1 . 1 100 100 LEU HD22 H 1 1.352 0.04 . 2 . . . . . 858 L HD22 . 50084 1 1221 . 1 . 1 100 100 LEU HD23 H 1 1.352 0.04 . 2 . . . . . 858 L HD23 . 50084 1 1222 . 1 . 1 100 100 LEU C C 13 177.002 0.4 . 1 . . . . . 858 L C . 50084 1 1223 . 1 . 1 100 100 LEU CA C 13 58.588 0.4 . 1 . . . . . 858 L CA . 50084 1 1224 . 1 . 1 100 100 LEU CB C 13 40.956 0.4 . 1 . . . . . 858 L CB . 50084 1 1225 . 1 . 1 100 100 LEU CG C 13 28.191 0.4 . 1 . . . . . 858 L CG . 50084 1 1226 . 1 . 1 100 100 LEU CD1 C 13 27.015 0.4 . 2 . . . . . 858 L CD1 . 50084 1 1227 . 1 . 1 100 100 LEU CD2 C 13 25.707 0.4 . 2 . . . . . 858 L CD2 . 50084 1 1228 . 1 . 1 100 100 LEU N N 15 118.740 0.4 . 1 . . . . . 858 L N . 50084 1 1229 . 1 . 1 101 101 LYS H H 1 8.349 0.04 . 1 . . . . . 859 K H . 50084 1 1230 . 1 . 1 101 101 LYS HA H 1 3.662 0.04 . 1 . . . . . 859 K HA . 50084 1 1231 . 1 . 1 101 101 LYS HB2 H 1 1.982 0.04 . 1 . . . . . 859 K HB2 . 50084 1 1232 . 1 . 1 101 101 LYS HB3 H 1 1.713 0.04 . 1 . . . . . 859 K HB3 . 50084 1 1233 . 1 . 1 101 101 LYS HG2 H 1 1.480 0.04 . 1 . . . . . 859 K HG2 . 50084 1 1234 . 1 . 1 101 101 LYS HG3 H 1 1.227 0.04 . 1 . . . . . 859 K HG3 . 50084 1 1235 . 1 . 1 101 101 LYS HD2 H 1 1.694 0.04 . 1 . . . . . 859 K HD2 . 50084 1 1236 . 1 . 1 101 101 LYS HD3 H 1 1.694 0.04 . 1 . . . . . 859 K HD3 . 50084 1 1237 . 1 . 1 101 101 LYS HE2 H 1 2.966 0.04 . 1 . . . . . 859 K HE2 . 50084 1 1238 . 1 . 1 101 101 LYS HE3 H 1 2.966 0.04 . 1 . . . . . 859 K HE3 . 50084 1 1239 . 1 . 1 101 101 LYS C C 13 176.703 0.4 . 1 . . . . . 859 K C . 50084 1 1240 . 1 . 1 101 101 LYS CA C 13 61.066 0.4 . 1 . . . . . 859 K CA . 50084 1 1241 . 1 . 1 101 101 LYS CB C 13 32.543 0.4 . 1 . . . . . 859 K CB . 50084 1 1242 . 1 . 1 101 101 LYS CG C 13 25.225 0.4 . 1 . . . . . 859 K CG . 50084 1 1243 . 1 . 1 101 101 LYS CD C 13 29.780 0.4 . 1 . . . . . 859 K CD . 50084 1 1244 . 1 . 1 101 101 LYS CE C 13 42.192 0.4 . 1 . . . . . 859 K CE . 50084 1 1245 . 1 . 1 101 101 LYS N N 15 117.093 0.4 . 1 . . . . . 859 K N . 50084 1 1246 . 1 . 1 102 102 GLU H H 1 7.778 0.04 . 1 . . . . . 860 E H . 50084 1 1247 . 1 . 1 102 102 GLU HA H 1 3.913 0.04 . 1 . . . . . 860 E HA . 50084 1 1248 . 1 . 1 102 102 GLU HB2 H 1 2.053 0.04 . 1 . . . . . 860 E HB2 . 50084 1 1249 . 1 . 1 102 102 GLU HB3 H 1 1.953 0.04 . 1 . . . . . 860 E HB3 . 50084 1 1250 . 1 . 1 102 102 GLU HG2 H 1 2.462 0.04 . 1 . . . . . 860 E HG2 . 50084 1 1251 . 1 . 1 102 102 GLU HG3 H 1 2.224 0.04 . 1 . . . . . 860 E HG3 . 50084 1 1252 . 1 . 1 102 102 GLU C C 13 179.773 0.4 . 1 . . . . . 860 E C . 50084 1 1253 . 1 . 1 102 102 GLU CA C 13 60.219 0.4 . 1 . . . . . 860 E CA . 50084 1 1254 . 1 . 1 102 102 GLU CB C 13 29.280 0.4 . 1 . . . . . 860 E CB . 50084 1 1255 . 1 . 1 102 102 GLU CG C 13 35.439 0.4 . 1 . . . . . 860 E CG . 50084 1 1256 . 1 . 1 102 102 GLU N N 15 117.942 0.4 . 1 . . . . . 860 E N . 50084 1 1257 . 1 . 1 103 103 ARG H H 1 8.576 0.04 . 1 . . . . . 861 R H . 50084 1 1258 . 1 . 1 103 103 ARG HA H 1 4.013 0.04 . 1 . . . . . 861 R HA . 50084 1 1259 . 1 . 1 103 103 ARG HB2 H 1 1.739 0.04 . 1 . . . . . 861 R HB2 . 50084 1 1260 . 1 . 1 103 103 ARG HB3 H 1 1.739 0.04 . 1 . . . . . 861 R HB3 . 50084 1 1261 . 1 . 1 103 103 ARG HG2 H 1 1.773 0.04 . 1 . . . . . 861 R HG2 . 50084 1 1262 . 1 . 1 103 103 ARG HG3 H 1 0.852 0.04 . 1 . . . . . 861 R HG3 . 50084 1 1263 . 1 . 1 103 103 ARG HD2 H 1 2.998 0.04 . 1 . . . . . 861 R HD2 . 50084 1 1264 . 1 . 1 103 103 ARG HD3 H 1 2.922 0.04 . 1 . . . . . 861 R HD3 . 50084 1 1265 . 1 . 1 103 103 ARG C C 13 178.762 0.4 . 1 . . . . . 861 R C . 50084 1 1266 . 1 . 1 103 103 ARG CA C 13 58.591 0.4 . 1 . . . . . 861 R CA . 50084 1 1267 . 1 . 1 103 103 ARG CB C 13 32.727 0.4 . 1 . . . . . 861 R CB . 50084 1 1268 . 1 . 1 103 103 ARG CG C 13 25.520 0.4 . 1 . . . . . 861 R CG . 50084 1 1269 . 1 . 1 103 103 ARG CD C 13 44.428 0.4 . 1 . . . . . 861 R CD . 50084 1 1270 . 1 . 1 103 103 ARG N N 15 118.366 0.4 . 1 . . . . . 861 R N . 50084 1 1271 . 1 . 1 104 104 LEU H H 1 8.700 0.04 . 1 . . . . . 862 L H . 50084 1 1272 . 1 . 1 104 104 LEU HA H 1 4.026 0.04 . 1 . . . . . 862 L HA . 50084 1 1273 . 1 . 1 104 104 LEU HB2 H 1 2.021 0.04 . 1 . . . . . 862 L HB2 . 50084 1 1274 . 1 . 1 104 104 LEU HB3 H 1 1.698 0.04 . 1 . . . . . 862 L HB3 . 50084 1 1275 . 1 . 1 104 104 LEU HG H 1 1.779 0.04 . 1 . . . . . 862 L HG . 50084 1 1276 . 1 . 1 104 104 LEU HD11 H 1 1.072 0.04 . 2 . . . . . 862 L HD11 . 50084 1 1277 . 1 . 1 104 104 LEU HD12 H 1 1.072 0.04 . 2 . . . . . 862 L HD12 . 50084 1 1278 . 1 . 1 104 104 LEU HD13 H 1 1.072 0.04 . 2 . . . . . 862 L HD13 . 50084 1 1279 . 1 . 1 104 104 LEU HD21 H 1 0.922 0.04 . 2 . . . . . 862 L HD21 . 50084 1 1280 . 1 . 1 104 104 LEU HD22 H 1 0.922 0.04 . 2 . . . . . 862 L HD22 . 50084 1 1281 . 1 . 1 104 104 LEU HD23 H 1 0.922 0.04 . 2 . . . . . 862 L HD23 . 50084 1 1282 . 1 . 1 104 104 LEU C C 13 178.477 0.4 . 1 . . . . . 862 L C . 50084 1 1283 . 1 . 1 104 104 LEU CA C 13 58.549 0.4 . 1 . . . . . 862 L CA . 50084 1 1284 . 1 . 1 104 104 LEU CB C 13 42.991 0.4 . 1 . . . . . 862 L CB . 50084 1 1285 . 1 . 1 104 104 LEU CG C 13 27.590 0.4 . 1 . . . . . 862 L CG . 50084 1 1286 . 1 . 1 104 104 LEU CD1 C 13 23.594 0.4 . 2 . . . . . 862 L CD1 . 50084 1 1287 . 1 . 1 104 104 LEU CD2 C 13 26.387 0.4 . 2 . . . . . 862 L CD2 . 50084 1 1288 . 1 . 1 104 104 LEU N N 15 118.809 0.4 . 1 . . . . . 862 L N . 50084 1 1289 . 1 . 1 105 105 LEU H H 1 8.584 0.04 . 1 . . . . . 863 L H . 50084 1 1290 . 1 . 1 105 105 LEU HA H 1 3.985 0.04 . 1 . . . . . 863 L HA . 50084 1 1291 . 1 . 1 105 105 LEU HB2 H 1 1.976 0.04 . 1 . . . . . 863 L HB2 . 50084 1 1292 . 1 . 1 105 105 LEU HB3 H 1 1.340 0.04 . 1 . . . . . 863 L HB3 . 50084 1 1293 . 1 . 1 105 105 LEU HG H 1 1.746 0.04 . 1 . . . . . 863 L HG . 50084 1 1294 . 1 . 1 105 105 LEU HD11 H 1 0.592 0.04 . 2 . . . . . 863 L HD11 . 50084 1 1295 . 1 . 1 105 105 LEU HD12 H 1 0.592 0.04 . 2 . . . . . 863 L HD12 . 50084 1 1296 . 1 . 1 105 105 LEU HD13 H 1 0.592 0.04 . 2 . . . . . 863 L HD13 . 50084 1 1297 . 1 . 1 105 105 LEU HD21 H 1 0.816 0.04 . 2 . . . . . 863 L HD21 . 50084 1 1298 . 1 . 1 105 105 LEU HD22 H 1 0.816 0.04 . 2 . . . . . 863 L HD22 . 50084 1 1299 . 1 . 1 105 105 LEU HD23 H 1 0.816 0.04 . 2 . . . . . 863 L HD23 . 50084 1 1300 . 1 . 1 105 105 LEU C C 13 180.141 0.4 . 1 . . . . . 863 L C . 50084 1 1301 . 1 . 1 105 105 LEU CA C 13 57.884 0.4 . 1 . . . . . 863 L CA . 50084 1 1302 . 1 . 1 105 105 LEU CB C 13 41.237 0.4 . 1 . . . . . 863 L CB . 50084 1 1303 . 1 . 1 105 105 LEU CG C 13 27.612 0.4 . 1 . . . . . 863 L CG . 50084 1 1304 . 1 . 1 105 105 LEU CD1 C 13 23.337 0.4 . 2 . . . . . 863 L CD1 . 50084 1 1305 . 1 . 1 105 105 LEU CD2 C 13 25.463 0.4 . 2 . . . . . 863 L CD2 . 50084 1 1306 . 1 . 1 105 105 LEU N N 15 117.021 0.4 . 1 . . . . . 863 L N . 50084 1 1307 . 1 . 1 106 106 LYS H H 1 7.943 0.04 . 1 . . . . . 864 K H . 50084 1 1308 . 1 . 1 106 106 LYS HA H 1 3.951 0.04 . 1 . . . . . 864 K HA . 50084 1 1309 . 1 . 1 106 106 LYS HB2 H 1 1.920 0.04 . 1 . . . . . 864 K HB2 . 50084 1 1310 . 1 . 1 106 106 LYS HB3 H 1 1.920 0.04 . 1 . . . . . 864 K HB3 . 50084 1 1311 . 1 . 1 106 106 LYS HG2 H 1 1.480 0.04 . 1 . . . . . 864 K HG2 . 50084 1 1312 . 1 . 1 106 106 LYS HG3 H 1 1.480 0.04 . 1 . . . . . 864 K HG3 . 50084 1 1313 . 1 . 1 106 106 LYS HD2 H 1 1.699 0.04 . 1 . . . . . 864 K HD2 . 50084 1 1314 . 1 . 1 106 106 LYS HD3 H 1 1.699 0.04 . 1 . . . . . 864 K HD3 . 50084 1 1315 . 1 . 1 106 106 LYS HE2 H 1 2.962 0.04 . 1 . . . . . 864 K HE2 . 50084 1 1316 . 1 . 1 106 106 LYS HE3 H 1 2.962 0.04 . 1 . . . . . 864 K HE3 . 50084 1 1317 . 1 . 1 106 106 LYS C C 13 178.267 0.4 . 1 . . . . . 864 K C . 50084 1 1318 . 1 . 1 106 106 LYS CA C 13 59.135 0.4 . 1 . . . . . 864 K CA . 50084 1 1319 . 1 . 1 106 106 LYS CB C 13 31.913 0.4 . 1 . . . . . 864 K CB . 50084 1 1320 . 1 . 1 106 106 LYS CG C 13 25.362 0.4 . 1 . . . . . 864 K CG . 50084 1 1321 . 1 . 1 106 106 LYS CD C 13 28.794 0.4 . 1 . . . . . 864 K CD . 50084 1 1322 . 1 . 1 106 106 LYS CE C 13 42.165 0.4 . 1 . . . . . 864 K CE . 50084 1 1323 . 1 . 1 106 106 LYS N N 15 120.590 0.4 . 1 . . . . . 864 K N . 50084 1 1324 . 1 . 1 107 107 ALA H H 1 7.896 0.04 . 1 . . . . . 865 A H . 50084 1 1325 . 1 . 1 107 107 ALA HA H 1 4.092 0.04 . 1 . . . . . 865 A HA . 50084 1 1326 . 1 . 1 107 107 ALA HB1 H 1 1.332 0.04 . 1 . . . . . 865 A HB1 . 50084 1 1327 . 1 . 1 107 107 ALA HB2 H 1 1.332 0.04 . 1 . . . . . 865 A HB2 . 50084 1 1328 . 1 . 1 107 107 ALA HB3 H 1 1.332 0.04 . 1 . . . . . 865 A HB3 . 50084 1 1329 . 1 . 1 107 107 ALA C C 13 179.700 0.4 . 1 . . . . . 865 A C . 50084 1 1330 . 1 . 1 107 107 ALA CA C 13 54.889 0.4 . 1 . . . . . 865 A CA . 50084 1 1331 . 1 . 1 107 107 ALA CB C 13 18.665 0.4 . 1 . . . . . 865 A CB . 50084 1 1332 . 1 . 1 107 107 ALA N N 15 119.673 0.4 . 1 . . . . . 865 A N . 50084 1 1333 . 1 . 1 108 108 ILE H H 1 7.770 0.04 . 1 . . . . . 866 I H . 50084 1 1334 . 1 . 1 108 108 ILE HA H 1 3.890 0.04 . 1 . . . . . 866 I HA . 50084 1 1335 . 1 . 1 108 108 ILE HB H 1 1.839 0.04 . 1 . . . . . 866 I HB . 50084 1 1336 . 1 . 1 108 108 ILE HG12 H 1 1.229 0.04 . 1 . . . . . 866 I HG12 . 50084 1 1337 . 1 . 1 108 108 ILE HG13 H 1 1.645 0.04 . 1 . . . . . 866 I HG13 . 50084 1 1338 . 1 . 1 108 108 ILE HG21 H 1 0.701 0.04 . 1 . . . . . 866 I HG21 . 50084 1 1339 . 1 . 1 108 108 ILE HG22 H 1 0.701 0.04 . 1 . . . . . 866 I HG22 . 50084 1 1340 . 1 . 1 108 108 ILE HG23 H 1 0.701 0.04 . 1 . . . . . 866 I HG23 . 50084 1 1341 . 1 . 1 108 108 ILE HD11 H 1 0.684 0.04 . 1 . . . . . 866 I HD11 . 50084 1 1342 . 1 . 1 108 108 ILE HD12 H 1 0.684 0.04 . 1 . . . . . 866 I HD12 . 50084 1 1343 . 1 . 1 108 108 ILE HD13 H 1 0.684 0.04 . 1 . . . . . 866 I HD13 . 50084 1 1344 . 1 . 1 108 108 ILE C C 13 176.516 0.4 . 1 . . . . . 866 I C . 50084 1 1345 . 1 . 1 108 108 ILE CA C 13 63.326 0.4 . 1 . . . . . 866 I CA . 50084 1 1346 . 1 . 1 108 108 ILE CB C 13 37.048 0.4 . 1 . . . . . 866 I CB . 50084 1 1347 . 1 . 1 108 108 ILE CG1 C 13 25.138 0.4 . 1 . . . . . 866 I CG1 . 50084 1 1348 . 1 . 1 108 108 ILE CG2 C 13 16.079 0.4 . 1 . . . . . 866 I CG2 . 50084 1 1349 . 1 . 1 108 108 ILE CD1 C 13 14.139 0.4 . 1 . . . . . 866 I CD1 . 50084 1 1350 . 1 . 1 108 108 ILE N N 15 106.997 0.4 . 1 . . . . . 866 I N . 50084 1 1351 . 1 . 1 109 109 THR H H 1 7.430 0.04 . 1 . . . . . 867 T H . 50084 1 1352 . 1 . 1 109 109 THR HA H 1 4.164 0.04 . 1 . . . . . 867 T HA . 50084 1 1353 . 1 . 1 109 109 THR HB H 1 4.164 0.04 . 1 . . . . . 867 T HB . 50084 1 1354 . 1 . 1 109 109 THR HG21 H 1 1.079 0.04 . 1 . . . . . 867 T HG21 . 50084 1 1355 . 1 . 1 109 109 THR HG22 H 1 1.079 0.04 . 1 . . . . . 867 T HG22 . 50084 1 1356 . 1 . 1 109 109 THR HG23 H 1 1.079 0.04 . 1 . . . . . 867 T HG23 . 50084 1 1357 . 1 . 1 109 109 THR C C 13 175.259 0.4 . 1 . . . . . 867 T C . 50084 1 1358 . 1 . 1 109 109 THR CA C 13 64.054 0.4 . 1 . . . . . 867 T CA . 50084 1 1359 . 1 . 1 109 109 THR CB C 13 69.231 0.4 . 1 . . . . . 867 T CB . 50084 1 1360 . 1 . 1 109 109 THR CG2 C 13 21.298 0.4 . 1 . . . . . 867 T CG2 . 50084 1 1361 . 1 . 1 109 109 THR N N 15 113.535 0.4 . 1 . . . . . 867 T N . 50084 1 1362 . 1 . 1 110 110 TYR H H 1 7.599 0.04 . 1 . . . . . 868 Y H . 50084 1 1363 . 1 . 1 110 110 TYR HA H 1 4.490 0.04 . 1 . . . . . 868 Y HA . 50084 1 1364 . 1 . 1 110 110 TYR HB2 H 1 3.105 0.04 . 1 . . . . . 868 Y HB2 . 50084 1 1365 . 1 . 1 110 110 TYR HB3 H 1 3.105 0.04 . 1 . . . . . 868 Y HB3 . 50084 1 1366 . 1 . 1 110 110 TYR HD1 H 1 7.186 0.04 . 3 . . . . . 868 Y HD1 . 50084 1 1367 . 1 . 1 110 110 TYR HD2 H 1 7.186 0.04 . 3 . . . . . 868 Y HD2 . 50084 1 1368 . 1 . 1 110 110 TYR HE1 H 1 6.871 0.04 . 3 . . . . . 868 Y HE1 . 50084 1 1369 . 1 . 1 110 110 TYR HE2 H 1 6.871 0.04 . 3 . . . . . 868 Y HE2 . 50084 1 1370 . 1 . 1 110 110 TYR C C 13 176.112 0.4 . 1 . . . . . 868 Y C . 50084 1 1371 . 1 . 1 110 110 TYR CA C 13 59.007 0.4 . 1 . . . . . 868 Y CA . 50084 1 1372 . 1 . 1 110 110 TYR CB C 13 37.985 0.4 . 1 . . . . . 868 Y CB . 50084 1 1373 . 1 . 1 110 110 TYR CD1 C 13 133.225 0.4 . 3 . . . . . 868 Y CD1 . 50084 1 1374 . 1 . 1 110 110 TYR CD2 C 13 133.225 0.4 . 3 . . . . . 868 Y CD2 . 50084 1 1375 . 1 . 1 110 110 TYR CE1 C 13 118.234 0.4 . 3 . . . . . 868 Y CE1 . 50084 1 1376 . 1 . 1 110 110 TYR CE2 C 13 118.234 0.4 . 3 . . . . . 868 Y CE2 . 50084 1 1377 . 1 . 1 110 110 TYR N N 15 121.899 0.4 . 1 . . . . . 868 Y N . 50084 1 1378 . 1 . 1 111 111 ALA H H 1 7.854 0.04 . 1 . . . . . 869 A H . 50084 1 1379 . 1 . 1 111 111 ALA HA H 1 4.257 0.04 . 1 . . . . . 869 A HA . 50084 1 1380 . 1 . 1 111 111 ALA HB1 H 1 1.499 0.04 . 1 . . . . . 869 A HB1 . 50084 1 1381 . 1 . 1 111 111 ALA HB2 H 1 1.499 0.04 . 1 . . . . . 869 A HB2 . 50084 1 1382 . 1 . 1 111 111 ALA HB3 H 1 1.499 0.04 . 1 . . . . . 869 A HB3 . 50084 1 1383 . 1 . 1 111 111 ALA C C 13 177.552 0.4 . 1 . . . . . 869 A C . 50084 1 1384 . 1 . 1 111 111 ALA CA C 13 53.027 0.4 . 1 . . . . . 869 A CA . 50084 1 1385 . 1 . 1 111 111 ALA CB C 13 19.253 0.4 . 1 . . . . . 869 A CB . 50084 1 1386 . 1 . 1 111 111 ALA N N 15 123.545 0.4 . 1 . . . . . 869 A N . 50084 1 1387 . 1 . 1 112 112 LYS H H 1 8.001 0.04 . 1 . . . . . 870 K H . 50084 1 1388 . 1 . 1 112 112 LYS HA H 1 4.259 0.04 . 1 . . . . . 870 K HA . 50084 1 1389 . 1 . 1 112 112 LYS HB2 H 1 1.742 0.04 . 1 . . . . . 870 K HB2 . 50084 1 1390 . 1 . 1 112 112 LYS HB3 H 1 1.742 0.04 . 1 . . . . . 870 K HB3 . 50084 1 1391 . 1 . 1 112 112 LYS HG2 H 1 1.468 0.04 . 1 . . . . . 870 K HG2 . 50084 1 1392 . 1 . 1 112 112 LYS HG3 H 1 1.468 0.04 . 1 . . . . . 870 K HG3 . 50084 1 1393 . 1 . 1 112 112 LYS HD2 H 1 1.709 0.04 . 1 . . . . . 870 K HD2 . 50084 1 1394 . 1 . 1 112 112 LYS HD3 H 1 1.709 0.04 . 1 . . . . . 870 K HD3 . 50084 1 1395 . 1 . 1 112 112 LYS HE2 H 1 3.015 0.04 . 1 . . . . . 870 K HE2 . 50084 1 1396 . 1 . 1 112 112 LYS HE3 H 1 3.015 0.04 . 1 . . . . . 870 K HE3 . 50084 1 1397 . 1 . 1 112 112 LYS C C 13 177.075 0.4 . 1 . . . . . 870 K C . 50084 1 1398 . 1 . 1 112 112 LYS CA C 13 56.714 0.4 . 1 . . . . . 870 K CA . 50084 1 1399 . 1 . 1 112 112 LYS CB C 13 32.873 0.4 . 1 . . . . . 870 K CB . 50084 1 1400 . 1 . 1 112 112 LYS CG C 13 24.729 0.4 . 1 . . . . . 870 K CG . 50084 1 1401 . 1 . 1 112 112 LYS CD C 13 28.942 0.4 . 1 . . . . . 870 K CD . 50084 1 1402 . 1 . 1 112 112 LYS CE C 13 42.134 0.4 . 1 . . . . . 870 K CE . 50084 1 1403 . 1 . 1 112 112 LYS N N 15 119.234 0.4 . 1 . . . . . 870 K N . 50084 1 1404 . 1 . 1 113 113 GLY H H 1 8.176 0.04 . 1 . . . . . 871 G H . 50084 1 1405 . 1 . 1 113 113 GLY HA2 H 1 3.917 0.04 . 1 . . . . . 871 G HA2 . 50084 1 1406 . 1 . 1 113 113 GLY HA3 H 1 3.917 0.04 . 1 . . . . . 871 G HA3 . 50084 1 1407 . 1 . 1 113 113 GLY C C 13 173.980 0.4 . 1 . . . . . 871 G C . 50084 1 1408 . 1 . 1 113 113 GLY CA C 13 45.220 0.4 . 1 . . . . . 871 G CA . 50084 1 1409 . 1 . 1 113 113 GLY N N 15 108.814 0.4 . 1 . . . . . 871 G N . 50084 1 1410 . 1 . 1 114 114 PHE H H 1 8.121 0.04 . 1 . . . . . 872 F H . 50084 1 1411 . 1 . 1 114 114 PHE HA H 1 4.610 0.04 . 1 . . . . . 872 F HA . 50084 1 1412 . 1 . 1 114 114 PHE HB2 H 1 3.209 0.04 . 1 . . . . . 872 F HB2 . 50084 1 1413 . 1 . 1 114 114 PHE HB3 H 1 3.055 0.04 . 1 . . . . . 872 F HB3 . 50084 1 1414 . 1 . 1 114 114 PHE HD1 H 1 7.234 0.04 . 3 . . . . . 872 F HD1 . 50084 1 1415 . 1 . 1 114 114 PHE HD2 H 1 7.234 0.04 . 3 . . . . . 872 F HD2 . 50084 1 1416 . 1 . 1 114 114 PHE HE1 H 1 7.346 0.04 . 3 . . . . . 872 F HE1 . 50084 1 1417 . 1 . 1 114 114 PHE HE2 H 1 7.346 0.04 . 3 . . . . . 872 F HE2 . 50084 1 1418 . 1 . 1 114 114 PHE C C 13 176.367 0.4 . 1 . . . . . 872 F C . 50084 1 1419 . 1 . 1 114 114 PHE CA C 13 58.144 0.4 . 1 . . . . . 872 F CA . 50084 1 1420 . 1 . 1 114 114 PHE CB C 13 39.441 0.4 . 1 . . . . . 872 F CB . 50084 1 1421 . 1 . 1 114 114 PHE CD1 C 13 131.926 0.4 . 3 . . . . . 872 F CD1 . 50084 1 1422 . 1 . 1 114 114 PHE CD2 C 13 131.926 0.4 . 3 . . . . . 872 F CD2 . 50084 1 1423 . 1 . 1 114 114 PHE CE1 C 13 131.381 0.4 . 3 . . . . . 872 F CE1 . 50084 1 1424 . 1 . 1 114 114 PHE CE2 C 13 131.381 0.4 . 3 . . . . . 872 F CE2 . 50084 1 1425 . 1 . 1 114 114 PHE N N 15 119.710 0.4 . 1 . . . . . 872 F N . 50084 1 1426 . 1 . 1 115 115 GLY H H 1 8.390 0.04 . 1 . . . . . 873 G H . 50084 1 1427 . 1 . 1 115 115 GLY HA2 H 1 3.899 0.04 . 1 . . . . . 873 G HA2 . 50084 1 1428 . 1 . 1 115 115 GLY HA3 H 1 3.899 0.04 . 1 . . . . . 873 G HA3 . 50084 1 1429 . 1 . 1 115 115 GLY C C 13 173.889 0.4 . 1 . . . . . 873 G C . 50084 1 1430 . 1 . 1 115 115 GLY CA C 13 45.394 0.4 . 1 . . . . . 873 G CA . 50084 1 1431 . 1 . 1 115 115 GLY N N 15 110.497 0.4 . 1 . . . . . 873 G N . 50084 1 1432 . 1 . 1 116 116 MET H H 1 8.050 0.04 . 1 . . . . . 874 M H . 50084 1 1433 . 1 . 1 116 116 MET HA H 1 4.512 0.04 . 1 . . . . . 874 M HA . 50084 1 1434 . 1 . 1 116 116 MET HB2 H 1 2.135 0.04 . 1 . . . . . 874 M HB2 . 50084 1 1435 . 1 . 1 116 116 MET HB3 H 1 2.003 0.04 . 1 . . . . . 874 M HB3 . 50084 1 1436 . 1 . 1 116 116 MET HG2 H 1 2.587 0.04 . 1 . . . . . 874 M HG2 . 50084 1 1437 . 1 . 1 116 116 MET HG3 H 1 2.526 0.04 . 1 . . . . . 874 M HG3 . 50084 1 1438 . 1 . 1 116 116 MET HE1 H 1 2.105 0.04 . 1 . . . . . 874 M HE1 . 50084 1 1439 . 1 . 1 116 116 MET HE2 H 1 2.105 0.04 . 1 . . . . . 874 M HE2 . 50084 1 1440 . 1 . 1 116 116 MET HE3 H 1 2.105 0.04 . 1 . . . . . 874 M HE3 . 50084 1 1441 . 1 . 1 116 116 MET C C 13 175.196 0.4 . 1 . . . . . 874 M C . 50084 1 1442 . 1 . 1 116 116 MET CA C 13 55.512 0.4 . 1 . . . . . 874 M CA . 50084 1 1443 . 1 . 1 116 116 MET CB C 13 33.106 0.4 . 1 . . . . . 874 M CB . 50084 1 1444 . 1 . 1 116 116 MET CG C 13 32.064 0.4 . 1 . . . . . 874 M CG . 50084 1 1445 . 1 . 1 116 116 MET CE C 13 17.101 0.4 . 1 . . . . . 874 M CE . 50084 1 1446 . 1 . 1 116 116 MET N N 15 119.715 0.4 . 1 . . . . . 874 M N . 50084 1 1447 . 1 . 1 117 117 LEU H H 1 7.873 0.04 . 1 . . . . . 875 L H . 50084 1 1448 . 1 . 1 117 117 LEU HA H 1 4.213 0.04 . 1 . . . . . 875 L HA . 50084 1 1449 . 1 . 1 117 117 LEU HB2 H 1 1.625 0.04 . 1 . . . . . 875 L HB2 . 50084 1 1450 . 1 . 1 117 117 LEU HB3 H 1 1.625 0.04 . 1 . . . . . 875 L HB3 . 50084 1 1451 . 1 . 1 117 117 LEU HG H 1 1.608 0.04 . 1 . . . . . 875 L HG . 50084 1 1452 . 1 . 1 117 117 LEU HD11 H 1 0.918 0.04 . 2 . . . . . 875 L HD11 . 50084 1 1453 . 1 . 1 117 117 LEU HD12 H 1 0.918 0.04 . 2 . . . . . 875 L HD12 . 50084 1 1454 . 1 . 1 117 117 LEU HD13 H 1 0.918 0.04 . 2 . . . . . 875 L HD13 . 50084 1 1455 . 1 . 1 117 117 LEU HD21 H 1 0.878 0.04 . 2 . . . . . 875 L HD21 . 50084 1 1456 . 1 . 1 117 117 LEU HD22 H 1 0.878 0.04 . 2 . . . . . 875 L HD22 . 50084 1 1457 . 1 . 1 117 117 LEU HD23 H 1 0.878 0.04 . 2 . . . . . 875 L HD23 . 50084 1 1458 . 1 . 1 117 117 LEU C C 13 182.346 0.4 . 1 . . . . . 875 L C . 50084 1 1459 . 1 . 1 117 117 LEU CA C 13 56.818 0.4 . 1 . . . . . 875 L CA . 50084 1 1460 . 1 . 1 117 117 LEU CB C 13 43.420 0.4 . 1 . . . . . 875 L CB . 50084 1 1461 . 1 . 1 117 117 LEU CG C 13 27.320 0.4 . 1 . . . . . 875 L CG . 50084 1 1462 . 1 . 1 117 117 LEU CD1 C 13 25.316 0.4 . 2 . . . . . 875 L CD1 . 50084 1 1463 . 1 . 1 117 117 LEU CD2 C 13 23.627 0.4 . 2 . . . . . 875 L CD2 . 50084 1 1464 . 1 . 1 117 117 LEU N N 15 128.828 0.4 . 1 . . . . . 875 L N . 50084 1 stop_ save_