data_18166 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18166 _Entry.Title ; Solution NMR Structure of Stress-induced-phosphoprotein 1 STI1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4403E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-28 _Entry.Accession_date 2011-12-28 _Entry.Last_release_date 2012-02-17 _Entry.Original_release_date 2012-02-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuefeng Tang . . . 18166 2 Gaohua Liu . . . 18166 3 Keith Hamilton . . . 18166 4 Colleen Ciccosanti . . . 18166 5 Ritu Shastry . . . 18166 6 Burkhard Rost . . . 18166 7 Tom Acton . B. . 18166 8 Rong Xiao . . . 18166 9 John Everett . K. . 18166 10 Gaetano Montelione . T. . 18166 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18166 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18166 'Protein NMR' . 18166 'Protein Structure Initiative' . 18166 PSI-2 . 18166 'Structural Genomics' . 18166 'Target HR4403E' . 18166 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18166 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 18166 '15N chemical shifts' 141 18166 '1H chemical shifts' 909 18166 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 . . 2012-02-17 2011-12-28 original author . 18166 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18145 OR135 18166 BMRB 18161 OR134 18166 PDB 2LNI 'BMRB Entry Tracking System' 18166 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18166 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target HR4403E' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuefeng Tang . . . 18166 1 2 Gaohua Liu . . . 18166 1 3 Keith Hamilton . . . 18166 1 4 Colleen Ciccosanti . . . 18166 1 5 Ritu Shastry . . . 18166 1 6 Burkhard Rost . . . 18166 1 7 Tom Acton . B. . 18166 1 8 Rong Xiao . . . 18166 1 9 John Everett . K. . 18166 1 10 Gaetano Montelione . T. . 18166 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18166 _Assembly.ID 1 _Assembly.Name HR4403E _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR4403E 1 $HR4403E A . yes native no no . . . 18166 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR4403E _Entity.Sf_category entity _Entity.Sf_framecode HR4403E _Entity.Entry_ID 18166 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR4403E _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 ; MGHHHHHHSHMNPDLALMVK NKGNECFQKGDYPQAMKHYT EAIKRNPKDAKLYSNRAACY TKLLEFQLALKDCEECIQLE PTFIKGYTRKAAALEAMKDY TKAMDVYQKALDLDSSCKEA ADGYQRCMMAQYN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15365.743 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LNI . "Solution Nmr Structure Of Stress-Induced-Phosphoprotein 1 Sti1 From Homo Sapiens, Northeast Structural Genomics Consortium Targ" . . . . . 100.00 133 100.00 100.00 3.34e-93 . . . . 18166 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 . MET . 18166 1 2 . GLY . 18166 1 3 . HIS . 18166 1 4 . HIS . 18166 1 5 . HIS . 18166 1 6 . HIS . 18166 1 7 . HIS . 18166 1 8 . HIS . 18166 1 9 . SER . 18166 1 10 . HIS . 18166 1 11 . MET . 18166 1 12 . ASN . 18166 1 13 . PRO . 18166 1 14 . ASP . 18166 1 15 . LEU . 18166 1 16 . ALA . 18166 1 17 . LEU . 18166 1 18 . MET . 18166 1 19 . VAL . 18166 1 20 . LYS . 18166 1 21 . ASN . 18166 1 22 . LYS . 18166 1 23 . GLY . 18166 1 24 . ASN . 18166 1 25 . GLU . 18166 1 26 . CYS . 18166 1 27 . PHE . 18166 1 28 . GLN . 18166 1 29 . LYS . 18166 1 30 . GLY . 18166 1 31 . ASP . 18166 1 32 . TYR . 18166 1 33 . PRO . 18166 1 34 . GLN . 18166 1 35 . ALA . 18166 1 36 . MET . 18166 1 37 . LYS . 18166 1 38 . HIS . 18166 1 39 . TYR . 18166 1 40 . THR . 18166 1 41 . GLU . 18166 1 42 . ALA . 18166 1 43 . ILE . 18166 1 44 . LYS . 18166 1 45 . ARG . 18166 1 46 . ASN . 18166 1 47 . PRO . 18166 1 48 . LYS . 18166 1 49 . ASP . 18166 1 50 . ALA . 18166 1 51 . LYS . 18166 1 52 . LEU . 18166 1 53 . TYR . 18166 1 54 . SER . 18166 1 55 . ASN . 18166 1 56 . ARG . 18166 1 57 . ALA . 18166 1 58 . ALA . 18166 1 59 . CYS . 18166 1 60 . TYR . 18166 1 61 . THR . 18166 1 62 . LYS . 18166 1 63 . LEU . 18166 1 64 . LEU . 18166 1 65 . GLU . 18166 1 66 . PHE . 18166 1 67 . GLN . 18166 1 68 . LEU . 18166 1 69 . ALA . 18166 1 70 . LEU . 18166 1 71 . LYS . 18166 1 72 . ASP . 18166 1 73 . CYS . 18166 1 74 . GLU . 18166 1 75 . GLU . 18166 1 76 . CYS . 18166 1 77 . ILE . 18166 1 78 . GLN . 18166 1 79 . LEU . 18166 1 80 . GLU . 18166 1 81 . PRO . 18166 1 82 . THR . 18166 1 83 . PHE . 18166 1 84 . ILE . 18166 1 85 . LYS . 18166 1 86 . GLY . 18166 1 87 . TYR . 18166 1 88 . THR . 18166 1 89 . ARG . 18166 1 90 . LYS . 18166 1 91 . ALA . 18166 1 92 . ALA . 18166 1 93 . ALA . 18166 1 94 . LEU . 18166 1 95 . GLU . 18166 1 96 . ALA . 18166 1 97 . MET . 18166 1 98 . LYS . 18166 1 99 . ASP . 18166 1 100 . TYR . 18166 1 101 . THR . 18166 1 102 . LYS . 18166 1 103 . ALA . 18166 1 104 . MET . 18166 1 105 . ASP . 18166 1 106 . VAL . 18166 1 107 . TYR . 18166 1 108 . GLN . 18166 1 109 . LYS . 18166 1 110 . ALA . 18166 1 111 . LEU . 18166 1 112 . ASP . 18166 1 113 . LEU . 18166 1 114 . ASP . 18166 1 115 . SER . 18166 1 116 . SER . 18166 1 117 . CYS . 18166 1 118 . LYS . 18166 1 119 . GLU . 18166 1 120 . ALA . 18166 1 121 . ALA . 18166 1 122 . ASP . 18166 1 123 . GLY . 18166 1 124 . TYR . 18166 1 125 . GLN . 18166 1 126 . ARG . 18166 1 127 . CYS . 18166 1 128 . MET . 18166 1 129 . MET . 18166 1 130 . ALA . 18166 1 131 . GLN . 18166 1 132 . TYR . 18166 1 133 . ASN . 18166 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 . MET 1 1 18166 1 . GLY 2 2 18166 1 . HIS 3 3 18166 1 . HIS 4 4 18166 1 . HIS 5 5 18166 1 . HIS 6 6 18166 1 . HIS 7 7 18166 1 . HIS 8 8 18166 1 . SER 9 9 18166 1 . HIS 10 10 18166 1 . MET 11 11 18166 1 . ASN 12 12 18166 1 . PRO 13 13 18166 1 . ASP 14 14 18166 1 . LEU 15 15 18166 1 . ALA 16 16 18166 1 . LEU 17 17 18166 1 . MET 18 18 18166 1 . VAL 19 19 18166 1 . LYS 20 20 18166 1 . ASN 21 21 18166 1 . LYS 22 22 18166 1 . GLY 23 23 18166 1 . ASN 24 24 18166 1 . GLU 25 25 18166 1 . CYS 26 26 18166 1 . PHE 27 27 18166 1 . GLN 28 28 18166 1 . LYS 29 29 18166 1 . GLY 30 30 18166 1 . ASP 31 31 18166 1 . TYR 32 32 18166 1 . PRO 33 33 18166 1 . GLN 34 34 18166 1 . ALA 35 35 18166 1 . MET 36 36 18166 1 . LYS 37 37 18166 1 . HIS 38 38 18166 1 . TYR 39 39 18166 1 . THR 40 40 18166 1 . GLU 41 41 18166 1 . ALA 42 42 18166 1 . ILE 43 43 18166 1 . LYS 44 44 18166 1 . ARG 45 45 18166 1 . ASN 46 46 18166 1 . PRO 47 47 18166 1 . LYS 48 48 18166 1 . ASP 49 49 18166 1 . ALA 50 50 18166 1 . LYS 51 51 18166 1 . LEU 52 52 18166 1 . TYR 53 53 18166 1 . SER 54 54 18166 1 . ASN 55 55 18166 1 . ARG 56 56 18166 1 . ALA 57 57 18166 1 . ALA 58 58 18166 1 . CYS 59 59 18166 1 . TYR 60 60 18166 1 . THR 61 61 18166 1 . LYS 62 62 18166 1 . LEU 63 63 18166 1 . LEU 64 64 18166 1 . GLU 65 65 18166 1 . PHE 66 66 18166 1 . GLN 67 67 18166 1 . LEU 68 68 18166 1 . ALA 69 69 18166 1 . LEU 70 70 18166 1 . LYS 71 71 18166 1 . ASP 72 72 18166 1 . CYS 73 73 18166 1 . GLU 74 74 18166 1 . GLU 75 75 18166 1 . CYS 76 76 18166 1 . ILE 77 77 18166 1 . GLN 78 78 18166 1 . LEU 79 79 18166 1 . GLU 80 80 18166 1 . PRO 81 81 18166 1 . THR 82 82 18166 1 . PHE 83 83 18166 1 . ILE 84 84 18166 1 . LYS 85 85 18166 1 . GLY 86 86 18166 1 . TYR 87 87 18166 1 . THR 88 88 18166 1 . ARG 89 89 18166 1 . LYS 90 90 18166 1 . ALA 91 91 18166 1 . ALA 92 92 18166 1 . ALA 93 93 18166 1 . LEU 94 94 18166 1 . GLU 95 95 18166 1 . ALA 96 96 18166 1 . MET 97 97 18166 1 . LYS 98 98 18166 1 . ASP 99 99 18166 1 . TYR 100 100 18166 1 . THR 101 101 18166 1 . LYS 102 102 18166 1 . ALA 103 103 18166 1 . MET 104 104 18166 1 . ASP 105 105 18166 1 . VAL 106 106 18166 1 . TYR 107 107 18166 1 . GLN 108 108 18166 1 . LYS 109 109 18166 1 . ALA 110 110 18166 1 . LEU 111 111 18166 1 . ASP 112 112 18166 1 . LEU 113 113 18166 1 . ASP 114 114 18166 1 . SER 115 115 18166 1 . SER 116 116 18166 1 . CYS 117 117 18166 1 . LYS 118 118 18166 1 . GLU 119 119 18166 1 . ALA 120 120 18166 1 . ALA 121 121 18166 1 . ASP 122 122 18166 1 . GLY 123 123 18166 1 . TYR 124 124 18166 1 . GLN 125 125 18166 1 . ARG 126 126 18166 1 . CYS 127 127 18166 1 . MET 128 128 18166 1 . MET 129 129 18166 1 . ALA 130 130 18166 1 . GLN 131 131 18166 1 . TYR 132 132 18166 1 . ASN 133 133 18166 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18166 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HR4403E . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . STIP1 . . . . 18166 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18166 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HR4403E . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . HR4403E-356-477-14.2 . . . . . . 18166 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18166 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.807 mM [U-100% 13C; U-100% 15N] HR4403E, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4403E '[U-100% 13C; U-100% 15N]' . . 1 $HR4403E . . 0.807 . . mM . . . . 18166 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18166 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18166 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18166 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4403E '[U-5% 13C; U-100% 15N]' . . 1 $HR4403E . . 0.763 . . mM . . . . 18166 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18166 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18166 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18166 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-100% 13C; U-100% 15N] HR4403E, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR4403E '[U-100% 13C; U-100% 15N]' . . 1 $HR4403E . . 0.4 . . mM . . . . 18166 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18166 3 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 18166 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . pH 18166 1 pressure 1 . atm 18166 1 temperature 293 . K 18166 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18166 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18166 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18166 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18166 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18166 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18166 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18166 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18166 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18166 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18166 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18166 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18166 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18166 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18166 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18166 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18166 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18166 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18166 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18166 _Software.ID 7 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18166 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18166 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18166 _Software.ID 8 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18166 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18166 8 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 18166 _Software.ID 9 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 18166 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18166 9 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18166 _Software.ID 10 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18166 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18166 10 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18166 _Software.ID 11 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18166 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18166 11 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 18166 _Software.ID 12 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 18166 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18166 12 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 18166 _Software.ID 13 _Software.Name REDCAT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Valafar, Prestegard' . . 18166 13 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18166 13 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18166 _Software.ID 14 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 18166 14 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 18166 14 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18166 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18166 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18166 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18166 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 6 '3D 1H-13C arom NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18166 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18166 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18166 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18166 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18166 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18166 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18166 1 2 '2D 1H-13C HSQC' . . . 18166 1 3 '3D HNCO' . . . 18166 1 4 '3D CBCA(CO)NH' . . . 18166 1 5 '3D HNCACB' . . . 18166 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18166 1 8 '2D 1H-13C HSQC' . . . 18166 1 10 '3D HCCH-TOCSY' . . . 18166 1 11 '3D HCCH-COSY' . . . 18166 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.093 0.400 . 1 . . . . 1 MET C . 18166 1 2 . 1 1 2 2 GLY C C 13 174.129 0.400 . 1 . . . . 2 GLY C . 18166 1 3 . 1 1 2 2 GLY H H 1 8.520 0.020 . 1 . . . A 2 GLY H . 18166 1 4 . 1 1 2 2 GLY HA2 H 1 3.887 0.020 . 1 . . . A 2 GLY HA2 . 18166 1 5 . 1 1 2 2 GLY HA3 H 1 3.887 0.020 . 1 . . . A 2 GLY HA3 . 18166 1 6 . 1 1 2 2 GLY CA C 13 44.810 0.400 . 1 . . . A 2 GLY CA . 18166 1 7 . 1 1 2 2 GLY N N 15 109.986 0.400 . 1 . . . A 2 GLY N . 18166 1 8 . 1 1 3 3 HIS C C 13 174.443 0.400 . 1 . . . . 3 HIS C . 18166 1 9 . 1 1 3 3 HIS H H 1 8.406 0.020 . 1 . . . A 3 HIS H . 18166 1 10 . 1 1 3 3 HIS HA H 1 4.620 0.020 . 1 . . . A 3 HIS HA . 18166 1 11 . 1 1 3 3 HIS HB2 H 1 3.027 0.020 . 1 . . . A 3 HIS HB2 . 18166 1 12 . 1 1 3 3 HIS HB3 H 1 3.026 0.020 . 1 . . . A 3 HIS HB3 . 18166 1 13 . 1 1 3 3 HIS CB C 13 28.428 0.400 . 1 . . . A 3 HIS CB . 18166 1 14 . 1 1 3 3 HIS N N 15 117.442 0.400 . 1 . . . A 3 HIS N . 18166 1 15 . 1 1 4 4 HIS C C 13 174.194 0.400 . 1 . . . . 4 HIS C . 18166 1 16 . 1 1 4 4 HIS H H 1 8.552 0.020 . 1 . . . A 4 HIS H . 18166 1 17 . 1 1 4 4 HIS HA H 1 4.628 0.020 . 1 . . . A 4 HIS HA . 18166 1 18 . 1 1 4 4 HIS HB2 H 1 3.164 0.020 . 2 . . . A 4 HIS HB2 . 18166 1 19 . 1 1 4 4 HIS HB3 H 1 3.174 0.020 . 2 . . . A 4 HIS HB3 . 18166 1 20 . 1 1 4 4 HIS CA C 13 54.907 0.400 . 1 . . . A 4 HIS CA . 18166 1 21 . 1 1 4 4 HIS CB C 13 28.198 0.400 . 1 . . . A 4 HIS CB . 18166 1 22 . 1 1 4 4 HIS N N 15 118.932 0.400 . 1 . . . A 4 HIS N . 18166 1 23 . 1 1 5 5 HIS C C 13 174.067 0.400 . 1 . . . . 5 HIS C . 18166 1 24 . 1 1 5 5 HIS H H 1 8.615 0.020 . 1 . . . A 5 HIS H . 18166 1 25 . 1 1 5 5 HIS HA H 1 4.648 0.020 . 1 . . . A 5 HIS HA . 18166 1 26 . 1 1 5 5 HIS HB2 H 1 3.203 0.020 . 2 . . . A 5 HIS HB2 . 18166 1 27 . 1 1 5 5 HIS HB3 H 1 3.077 0.020 . 2 . . . A 5 HIS HB3 . 18166 1 28 . 1 1 5 5 HIS CA C 13 55.133 0.400 . 1 . . . A 5 HIS CA . 18166 1 29 . 1 1 5 5 HIS CB C 13 28.761 0.400 . 1 . . . A 5 HIS CB . 18166 1 30 . 1 1 5 5 HIS N N 15 119.580 0.400 . 1 . . . A 5 HIS N . 18166 1 31 . 1 1 6 6 HIS C C 13 174.200 0.400 . 1 . . . . 6 HIS C . 18166 1 32 . 1 1 6 6 HIS H H 1 8.732 0.020 . 1 . . . A 6 HIS H . 18166 1 33 . 1 1 6 6 HIS HA H 1 4.648 0.020 . 1 . . . A 6 HIS HA . 18166 1 34 . 1 1 6 6 HIS HB2 H 1 3.087 0.020 . 2 . . . A 6 HIS HB2 . 18166 1 35 . 1 1 6 6 HIS HB3 H 1 3.156 0.020 . 2 . . . A 6 HIS HB3 . 18166 1 36 . 1 1 6 6 HIS CA C 13 54.949 0.400 . 1 . . . A 6 HIS CA . 18166 1 37 . 1 1 6 6 HIS CB C 13 29.100 0.400 . 1 . . . A 6 HIS CB . 18166 1 38 . 1 1 6 6 HIS N N 15 121.369 0.400 . 1 . . . A 6 HIS N . 18166 1 39 . 1 1 7 7 HIS C C 13 174.257 0.400 . 1 . . . . 7 HIS C . 18166 1 40 . 1 1 7 7 HIS H H 1 8.708 0.020 . 1 . . . A 7 HIS H . 18166 1 41 . 1 1 7 7 HIS HA H 1 4.642 0.020 . 1 . . . A 7 HIS HA . 18166 1 42 . 1 1 7 7 HIS HB2 H 1 3.151 0.020 . 2 . . . A 7 HIS HB2 . 18166 1 43 . 1 1 7 7 HIS HB3 H 1 3.077 0.020 . 2 . . . A 7 HIS HB3 . 18166 1 44 . 1 1 7 7 HIS CA C 13 55.147 0.400 . 1 . . . A 7 HIS CA . 18166 1 45 . 1 1 7 7 HIS CB C 13 28.825 0.400 . 1 . . . A 7 HIS CB . 18166 1 46 . 1 1 7 7 HIS N N 15 120.276 0.400 . 1 . . . A 7 HIS N . 18166 1 47 . 1 1 8 8 HIS C C 13 174.181 0.400 . 1 . . . . 8 HIS C . 18166 1 48 . 1 1 8 8 HIS H H 1 8.708 0.020 . 1 . . . A 8 HIS H . 18166 1 49 . 1 1 8 8 HIS HA H 1 4.696 0.020 . 1 . . . A 8 HIS HA . 18166 1 50 . 1 1 8 8 HIS HB2 H 1 3.184 0.020 . 2 . . . A 8 HIS HB2 . 18166 1 51 . 1 1 8 8 HIS HB3 H 1 3.070 0.020 . 2 . . . A 8 HIS HB3 . 18166 1 52 . 1 1 8 8 HIS HD2 H 1 7.080 0.020 . 1 . . . A 8 HIS HD2 . 18166 1 53 . 1 1 8 8 HIS CA C 13 54.861 0.400 . 1 . . . A 8 HIS CA . 18166 1 54 . 1 1 8 8 HIS CB C 13 28.696 0.400 . 1 . . . A 8 HIS CB . 18166 1 55 . 1 1 8 8 HIS N N 15 120.007 0.400 . 1 . . . A 8 HIS N . 18166 1 56 . 1 1 9 9 SER C C 13 174.175 0.400 . 1 . . . . 9 SER C . 18166 1 57 . 1 1 9 9 SER H H 1 8.535 0.020 . 1 . . . A 9 SER H . 18166 1 58 . 1 1 9 9 SER HA H 1 4.404 0.020 . 1 . . . A 9 SER HA . 18166 1 59 . 1 1 9 9 SER HB2 H 1 3.808 0.020 . 2 . . . A 9 SER HB2 . 18166 1 60 . 1 1 9 9 SER HB3 H 1 3.806 0.020 . 2 . . . A 9 SER HB3 . 18166 1 61 . 1 1 9 9 SER CA C 13 57.718 0.400 . 1 . . . A 9 SER CA . 18166 1 62 . 1 1 9 9 SER CB C 13 63.246 0.400 . 1 . . . A 9 SER CB . 18166 1 63 . 1 1 9 9 SER N N 15 117.977 0.400 . 1 . . . A 9 SER N . 18166 1 64 . 1 1 10 10 HIS C C 13 174.146 0.400 . 1 . . . . 10 HIS C . 18166 1 65 . 1 1 10 10 HIS H H 1 8.744 0.020 . 1 . . . A 10 HIS H . 18166 1 66 . 1 1 10 10 HIS HA H 1 4.695 0.020 . 1 . . . A 10 HIS HA . 18166 1 67 . 1 1 10 10 HIS HB2 H 1 3.164 0.020 . 2 . . . A 10 HIS HB2 . 18166 1 68 . 1 1 10 10 HIS HB3 H 1 3.239 0.020 . 2 . . . A 10 HIS HB3 . 18166 1 69 . 1 1 10 10 HIS N N 15 120.441 0.400 . 1 . . . A 10 HIS N . 18166 1 70 . 1 1 11 11 MET C C 13 175.470 0.400 . 1 . . . . 11 MET C . 18166 1 71 . 1 1 11 11 MET H H 1 8.443 0.020 . 1 . . . A 11 MET H . 18166 1 72 . 1 1 11 11 MET HA H 1 4.427 0.020 . 1 . . . A 11 MET HA . 18166 1 73 . 1 1 11 11 MET HB2 H 1 1.983 0.020 . 2 . . . A 11 MET HB2 . 18166 1 74 . 1 1 11 11 MET HB3 H 1 1.917 0.020 . 2 . . . A 11 MET HB3 . 18166 1 75 . 1 1 11 11 MET HG2 H 1 2.464 0.020 . 2 . . . A 11 MET HG2 . 18166 1 76 . 1 1 11 11 MET HG3 H 1 2.505 0.020 . 2 . . . A 11 MET HG3 . 18166 1 77 . 1 1 11 11 MET CA C 13 54.665 0.400 . 1 . . . A 11 MET CA . 18166 1 78 . 1 1 11 11 MET CB C 13 32.913 0.400 . 1 . . . A 11 MET CB . 18166 1 79 . 1 1 11 11 MET CG C 13 31.340 0.400 . 1 . . . A 11 MET CG . 18166 1 80 . 1 1 11 11 MET N N 15 122.004 0.400 . 1 . . . A 11 MET N . 18166 1 81 . 1 1 12 12 ASN H H 1 8.631 0.020 . 1 . . . A 12 ASN H . 18166 1 82 . 1 1 12 12 ASN HA H 1 4.937 0.020 . 1 . . . A 12 ASN HA . 18166 1 83 . 1 1 12 12 ASN HB2 H 1 2.854 0.020 . 2 . . . A 12 ASN HB2 . 18166 1 84 . 1 1 12 12 ASN HB3 H 1 2.711 0.020 . 2 . . . A 12 ASN HB3 . 18166 1 85 . 1 1 12 12 ASN HD21 H 1 7.708 0.020 . 2 . . . A 12 ASN HD21 . 18166 1 86 . 1 1 12 12 ASN HD22 H 1 7.061 0.020 . 2 . . . A 12 ASN HD22 . 18166 1 87 . 1 1 12 12 ASN CA C 13 51.380 0.400 . 1 . . . A 12 ASN CA . 18166 1 88 . 1 1 12 12 ASN CB C 13 38.313 0.400 . 1 . . . A 12 ASN CB . 18166 1 89 . 1 1 12 12 ASN N N 15 121.852 0.400 . 1 . . . A 12 ASN N . 18166 1 90 . 1 1 12 12 ASN ND2 N 15 113.047 0.400 . 1 . . . A 12 ASN ND2 . 18166 1 91 . 1 1 13 13 PRO C C 13 176.648 0.400 . 1 . . . . 13 PRO C . 18166 1 92 . 1 1 13 13 PRO HA H 1 4.360 0.020 . 1 . . . A 13 PRO HA . 18166 1 93 . 1 1 13 13 PRO HB2 H 1 2.250 0.020 . 2 . . . A 13 PRO HB2 . 18166 1 94 . 1 1 13 13 PRO HB3 H 1 1.892 0.020 . 2 . . . A 13 PRO HB3 . 18166 1 95 . 1 1 13 13 PRO HG2 H 1 1.992 0.020 . 1 . . . A 13 PRO HG2 . 18166 1 96 . 1 1 13 13 PRO HG3 H 1 1.992 0.020 . 1 . . . A 13 PRO HG3 . 18166 1 97 . 1 1 13 13 PRO HD2 H 1 3.796 0.020 . 2 . . . A 13 PRO HD2 . 18166 1 98 . 1 1 13 13 PRO HD3 H 1 3.764 0.020 . 2 . . . A 13 PRO HD3 . 18166 1 99 . 1 1 13 13 PRO CA C 13 63.149 0.400 . 1 . . . A 13 PRO CA . 18166 1 100 . 1 1 13 13 PRO CB C 13 31.752 0.400 . 1 . . . A 13 PRO CB . 18166 1 101 . 1 1 13 13 PRO CG C 13 26.914 0.400 . 1 . . . A 13 PRO CG . 18166 1 102 . 1 1 13 13 PRO CD C 13 50.189 0.400 . 1 . . . A 13 PRO CD . 18166 1 103 . 1 1 14 14 ASP C C 13 176.987 0.400 . 1 . . . . 14 ASP C . 18166 1 104 . 1 1 14 14 ASP H H 1 8.344 0.020 . 1 . . . A 14 ASP H . 18166 1 105 . 1 1 14 14 ASP HA H 1 4.543 0.020 . 1 . . . A 14 ASP HA . 18166 1 106 . 1 1 14 14 ASP HB2 H 1 2.611 0.020 . 2 . . . A 14 ASP HB2 . 18166 1 107 . 1 1 14 14 ASP HB3 H 1 2.770 0.020 . 2 . . . A 14 ASP HB3 . 18166 1 108 . 1 1 14 14 ASP CA C 13 54.028 0.400 . 1 . . . A 14 ASP CA . 18166 1 109 . 1 1 14 14 ASP CB C 13 39.762 0.400 . 1 . . . A 14 ASP CB . 18166 1 110 . 1 1 14 14 ASP N N 15 119.643 0.400 . 1 . . . A 14 ASP N . 18166 1 111 . 1 1 15 15 LEU C C 13 178.242 0.400 . 1 . . . . 15 LEU C . 18166 1 112 . 1 1 15 15 LEU H H 1 8.119 0.020 . 1 . . . A 15 LEU H . 18166 1 113 . 1 1 15 15 LEU HA H 1 4.149 0.020 . 1 . . . A 15 LEU HA . 18166 1 114 . 1 1 15 15 LEU HB2 H 1 1.678 0.020 . 2 . . . A 15 LEU HB2 . 18166 1 115 . 1 1 15 15 LEU HB3 H 1 1.555 0.020 . 2 . . . A 15 LEU HB3 . 18166 1 116 . 1 1 15 15 LEU HG H 1 1.644 0.020 . 1 . . . A 15 LEU HG . 18166 1 117 . 1 1 15 15 LEU HD11 H 1 0.922 0.020 . 2 . . . A 15 LEU HD11 . 18166 1 118 . 1 1 15 15 LEU HD12 H 1 0.922 0.020 . 2 . . . A 15 LEU HD12 . 18166 1 119 . 1 1 15 15 LEU HD13 H 1 0.922 0.020 . 2 . . . A 15 LEU HD13 . 18166 1 120 . 1 1 15 15 LEU HD21 H 1 0.922 0.020 . 2 . . . A 15 LEU HD21 . 18166 1 121 . 1 1 15 15 LEU HD22 H 1 0.922 0.020 . 2 . . . A 15 LEU HD22 . 18166 1 122 . 1 1 15 15 LEU HD23 H 1 0.922 0.020 . 2 . . . A 15 LEU HD23 . 18166 1 123 . 1 1 15 15 LEU CA C 13 56.443 0.400 . 1 . . . A 15 LEU CA . 18166 1 124 . 1 1 15 15 LEU CB C 13 41.376 0.400 . 1 . . . A 15 LEU CB . 18166 1 125 . 1 1 15 15 LEU CG C 13 26.926 0.400 . 1 . . . A 15 LEU CG . 18166 1 126 . 1 1 15 15 LEU CD1 C 13 24.875 0.400 . 1 . . . A 15 LEU CD1 . 18166 1 127 . 1 1 15 15 LEU CD2 C 13 22.923 0.400 . 1 . . . A 15 LEU CD2 . 18166 1 128 . 1 1 15 15 LEU N N 15 123.333 0.400 . 1 . . . A 15 LEU N . 18166 1 129 . 1 1 16 16 ALA C C 13 178.667 0.400 . 1 . . . . 16 ALA C . 18166 1 130 . 1 1 16 16 ALA H H 1 8.212 0.020 . 1 . . . A 16 ALA H . 18166 1 131 . 1 1 16 16 ALA HA H 1 4.114 0.020 . 1 . . . A 16 ALA HA . 18166 1 132 . 1 1 16 16 ALA HB1 H 1 1.411 0.020 . 1 . . . A 16 ALA HB1 . 18166 1 133 . 1 1 16 16 ALA HB2 H 1 1.411 0.020 . 1 . . . A 16 ALA HB2 . 18166 1 134 . 1 1 16 16 ALA HB3 H 1 1.411 0.020 . 1 . . . A 16 ALA HB3 . 18166 1 135 . 1 1 16 16 ALA CA C 13 53.370 0.400 . 1 . . . A 16 ALA CA . 18166 1 136 . 1 1 16 16 ALA CB C 13 18.048 0.400 . 1 . . . A 16 ALA CB . 18166 1 137 . 1 1 16 16 ALA N N 15 121.879 0.400 . 1 . . . A 16 ALA N . 18166 1 138 . 1 1 17 17 LEU C C 13 177.944 0.400 . 1 . . . . 17 LEU C . 18166 1 139 . 1 1 17 17 LEU H H 1 7.719 0.020 . 1 . . . A 17 LEU H . 18166 1 140 . 1 1 17 17 LEU HA H 1 4.139 0.020 . 1 . . . A 17 LEU HA . 18166 1 141 . 1 1 17 17 LEU HB2 H 1 1.644 0.020 . 1 . . . A 17 LEU HB2 . 18166 1 142 . 1 1 17 17 LEU HB3 H 1 1.645 0.020 . 1 . . . A 17 LEU HB3 . 18166 1 143 . 1 1 17 17 LEU HG H 1 1.595 0.020 . 1 . . . A 17 LEU HG . 18166 1 144 . 1 1 17 17 LEU HD11 H 1 0.917 0.020 . 2 . . . A 17 LEU HD11 . 18166 1 145 . 1 1 17 17 LEU HD12 H 1 0.917 0.020 . 2 . . . A 17 LEU HD12 . 18166 1 146 . 1 1 17 17 LEU HD13 H 1 0.917 0.020 . 2 . . . A 17 LEU HD13 . 18166 1 147 . 1 1 17 17 LEU HD21 H 1 0.851 0.020 . 2 . . . A 17 LEU HD21 . 18166 1 148 . 1 1 17 17 LEU HD22 H 1 0.851 0.020 . 2 . . . A 17 LEU HD22 . 18166 1 149 . 1 1 17 17 LEU HD23 H 1 0.851 0.020 . 2 . . . A 17 LEU HD23 . 18166 1 150 . 1 1 17 17 LEU CA C 13 56.109 0.400 . 1 . . . A 17 LEU CA . 18166 1 151 . 1 1 17 17 LEU CB C 13 41.376 0.400 . 1 . . . A 17 LEU CB . 18166 1 152 . 1 1 17 17 LEU CG C 13 26.764 0.400 . 1 . . . A 17 LEU CG . 18166 1 153 . 1 1 17 17 LEU CD1 C 13 24.371 0.400 . 1 . . . A 17 LEU CD1 . 18166 1 154 . 1 1 17 17 LEU CD2 C 13 23.699 0.400 . 1 . . . A 17 LEU CD2 . 18166 1 155 . 1 1 17 17 LEU N N 15 118.990 0.400 . 1 . . . A 17 LEU N . 18166 1 156 . 1 1 18 18 MET C C 13 177.802 0.400 . 1 . . . . 18 MET C . 18166 1 157 . 1 1 18 18 MET H H 1 7.996 0.020 . 1 . . . A 18 MET H . 18166 1 158 . 1 1 18 18 MET HA H 1 4.274 0.020 . 1 . . . A 18 MET HA . 18166 1 159 . 1 1 18 18 MET HB2 H 1 2.079 0.020 . 1 . . . A 18 MET HB2 . 18166 1 160 . 1 1 18 18 MET HB3 H 1 2.080 0.020 . 1 . . . A 18 MET HB3 . 18166 1 161 . 1 1 18 18 MET HG2 H 1 2.627 0.020 . 2 . . . A 18 MET HG2 . 18166 1 162 . 1 1 18 18 MET HG3 H 1 2.487 0.020 . 2 . . . A 18 MET HG3 . 18166 1 163 . 1 1 18 18 MET HE1 H 1 2.052 0.020 . 1 . . . A 18 MET HE1 . 18166 1 164 . 1 1 18 18 MET HE2 H 1 2.052 0.020 . 1 . . . A 18 MET HE2 . 18166 1 165 . 1 1 18 18 MET HE3 H 1 2.052 0.020 . 1 . . . A 18 MET HE3 . 18166 1 166 . 1 1 18 18 MET CA C 13 56.497 0.400 . 1 . . . A 18 MET CA . 18166 1 167 . 1 1 18 18 MET CB C 13 31.787 0.400 . 1 . . . A 18 MET CB . 18166 1 168 . 1 1 18 18 MET CG C 13 31.596 0.400 . 1 . . . A 18 MET CG . 18166 1 169 . 1 1 18 18 MET CE C 13 16.383 0.400 . 1 . . . A 18 MET CE . 18166 1 170 . 1 1 18 18 MET N N 15 118.534 0.400 . 1 . . . A 18 MET N . 18166 1 171 . 1 1 19 19 VAL C C 13 177.088 0.400 . 1 . . . . 19 VAL C . 18166 1 172 . 1 1 19 19 VAL H H 1 7.915 0.020 . 1 . . . A 19 VAL H . 18166 1 173 . 1 1 19 19 VAL HA H 1 3.833 0.020 . 1 . . . A 19 VAL HA . 18166 1 174 . 1 1 19 19 VAL HB H 1 2.086 0.020 . 1 . . . A 19 VAL HB . 18166 1 175 . 1 1 19 19 VAL HG11 H 1 0.956 0.020 . 2 . . . A 19 VAL HG11 . 18166 1 176 . 1 1 19 19 VAL HG12 H 1 0.956 0.020 . 2 . . . A 19 VAL HG12 . 18166 1 177 . 1 1 19 19 VAL HG13 H 1 0.956 0.020 . 2 . . . A 19 VAL HG13 . 18166 1 178 . 1 1 19 19 VAL HG21 H 1 0.975 0.020 . 2 . . . A 19 VAL HG21 . 18166 1 179 . 1 1 19 19 VAL HG22 H 1 0.975 0.020 . 2 . . . A 19 VAL HG22 . 18166 1 180 . 1 1 19 19 VAL HG23 H 1 0.975 0.020 . 2 . . . A 19 VAL HG23 . 18166 1 181 . 1 1 19 19 VAL CA C 13 63.734 0.400 . 1 . . . A 19 VAL CA . 18166 1 182 . 1 1 19 19 VAL CB C 13 31.656 0.400 . 1 . . . A 19 VAL CB . 18166 1 183 . 1 1 19 19 VAL CG1 C 13 21.602 0.400 . 1 . . . A 19 VAL CG1 . 18166 1 184 . 1 1 19 19 VAL CG2 C 13 21.176 0.400 . 1 . . . A 19 VAL CG2 . 18166 1 185 . 1 1 19 19 VAL N N 15 119.243 0.400 . 1 . . . A 19 VAL N . 18166 1 186 . 1 1 20 20 LYS C C 13 177.014 0.400 . 1 . . . . 20 LYS C . 18166 1 187 . 1 1 20 20 LYS H H 1 8.139 0.020 . 1 . . . A 20 LYS H . 18166 1 188 . 1 1 20 20 LYS HA H 1 3.977 0.020 . 1 . . . A 20 LYS HA . 18166 1 189 . 1 1 20 20 LYS HB2 H 1 1.793 0.020 . 2 . . . A 20 LYS HB2 . 18166 1 190 . 1 1 20 20 LYS HB3 H 1 1.888 0.020 . 2 . . . A 20 LYS HB3 . 18166 1 191 . 1 1 20 20 LYS HG2 H 1 1.434 0.020 . 2 . . . A 20 LYS HG2 . 18166 1 192 . 1 1 20 20 LYS HG3 H 1 1.348 0.020 . 2 . . . A 20 LYS HG3 . 18166 1 193 . 1 1 20 20 LYS HD2 H 1 1.670 0.020 . 1 . . . A 20 LYS HD2 . 18166 1 194 . 1 1 20 20 LYS HD3 H 1 1.669 0.020 . 1 . . . A 20 LYS HD3 . 18166 1 195 . 1 1 20 20 LYS HE2 H 1 2.901 0.020 . 2 . . . A 20 LYS HE2 . 18166 1 196 . 1 1 20 20 LYS HE3 H 1 2.905 0.020 . 2 . . . A 20 LYS HE3 . 18166 1 197 . 1 1 20 20 LYS CA C 13 58.343 0.400 . 1 . . . A 20 LYS CA . 18166 1 198 . 1 1 20 20 LYS CB C 13 31.996 0.400 . 1 . . . A 20 LYS CB . 18166 1 199 . 1 1 20 20 LYS CG C 13 24.781 0.400 . 1 . . . A 20 LYS CG . 18166 1 200 . 1 1 20 20 LYS CD C 13 28.951 0.400 . 1 . . . A 20 LYS CD . 18166 1 201 . 1 1 20 20 LYS CE C 13 41.604 0.400 . 1 . . . A 20 LYS CE . 18166 1 202 . 1 1 20 20 LYS N N 15 123.321 0.400 . 1 . . . A 20 LYS N . 18166 1 203 . 1 1 21 21 ASN C C 13 176.939 0.400 . 1 . . . . 21 ASN C . 18166 1 204 . 1 1 21 21 ASN H H 1 8.349 0.020 . 1 . . . A 21 ASN H . 18166 1 205 . 1 1 21 21 ASN HA H 1 4.578 0.020 . 1 . . . A 21 ASN HA . 18166 1 206 . 1 1 21 21 ASN HB2 H 1 2.833 0.020 . 2 . . . A 21 ASN HB2 . 18166 1 207 . 1 1 21 21 ASN HB3 H 1 2.845 0.020 . 2 . . . A 21 ASN HB3 . 18166 1 208 . 1 1 21 21 ASN HD21 H 1 7.684 0.020 . 2 . . . A 21 ASN HD21 . 18166 1 209 . 1 1 21 21 ASN HD22 H 1 6.826 0.020 . 2 . . . A 21 ASN HD22 . 18166 1 210 . 1 1 21 21 ASN CA C 13 54.240 0.400 . 1 . . . A 21 ASN CA . 18166 1 211 . 1 1 21 21 ASN CB C 13 37.739 0.400 . 1 . . . A 21 ASN CB . 18166 1 212 . 1 1 21 21 ASN N N 15 118.732 0.400 . 1 . . . A 21 ASN N . 18166 1 213 . 1 1 21 21 ASN ND2 N 15 112.265 0.400 . 1 . . . A 21 ASN ND2 . 18166 1 214 . 1 1 22 22 LYS C C 13 178.850 0.400 . 1 . . . . 22 LYS C . 18166 1 215 . 1 1 22 22 LYS H H 1 8.185 0.020 . 1 . . . A 22 LYS H . 18166 1 216 . 1 1 22 22 LYS HA H 1 4.024 0.020 . 1 . . . A 22 LYS HA . 18166 1 217 . 1 1 22 22 LYS HB2 H 1 1.301 0.020 . 2 . . . A 22 LYS HB2 . 18166 1 218 . 1 1 22 22 LYS HB3 H 1 1.166 0.020 . 2 . . . A 22 LYS HB3 . 18166 1 219 . 1 1 22 22 LYS HG2 H 1 1.263 0.020 . 2 . . . A 22 LYS HG2 . 18166 1 220 . 1 1 22 22 LYS HG3 H 1 1.164 0.020 . 2 . . . A 22 LYS HG3 . 18166 1 221 . 1 1 22 22 LYS HD2 H 1 1.422 0.020 . 2 . . . A 22 LYS HD2 . 18166 1 222 . 1 1 22 22 LYS HD3 H 1 1.425 0.020 . 2 . . . A 22 LYS HD3 . 18166 1 223 . 1 1 22 22 LYS HE2 H 1 2.805 0.020 . 2 . . . A 22 LYS HE2 . 18166 1 224 . 1 1 22 22 LYS HE3 H 1 2.811 0.020 . 2 . . . A 22 LYS HE3 . 18166 1 225 . 1 1 22 22 LYS CA C 13 58.310 0.400 . 1 . . . A 22 LYS CA . 18166 1 226 . 1 1 22 22 LYS CB C 13 31.519 0.400 . 1 . . . A 22 LYS CB . 18166 1 227 . 1 1 22 22 LYS CG C 13 24.258 0.400 . 1 . . . A 22 LYS CG . 18166 1 228 . 1 1 22 22 LYS CD C 13 28.471 0.400 . 1 . . . A 22 LYS CD . 18166 1 229 . 1 1 22 22 LYS CE C 13 41.676 0.400 . 1 . . . A 22 LYS CE . 18166 1 230 . 1 1 22 22 LYS N N 15 121.941 0.400 . 1 . . . A 22 LYS N . 18166 1 231 . 1 1 23 23 GLY C C 13 174.154 0.400 . 1 . . . . 23 GLY C . 18166 1 232 . 1 1 23 23 GLY H H 1 8.336 0.020 . 1 . . . A 23 GLY H . 18166 1 233 . 1 1 23 23 GLY HA2 H 1 3.345 0.020 . 2 . . . A 23 GLY HA2 . 18166 1 234 . 1 1 23 23 GLY HA3 H 1 3.108 0.020 . 2 . . . A 23 GLY HA3 . 18166 1 235 . 1 1 23 23 GLY CA C 13 47.766 0.400 . 1 . . . A 23 GLY CA . 18166 1 236 . 1 1 23 23 GLY N N 15 107.792 0.400 . 1 . . . A 23 GLY N . 18166 1 237 . 1 1 24 24 ASN C C 13 177.343 0.400 . 1 . . . . 24 ASN C . 18166 1 238 . 1 1 24 24 ASN H H 1 8.337 0.020 . 1 . . . A 24 ASN H . 18166 1 239 . 1 1 24 24 ASN HA H 1 4.584 0.020 . 1 . . . A 24 ASN HA . 18166 1 240 . 1 1 24 24 ASN HB2 H 1 2.981 0.020 . 2 . . . A 24 ASN HB2 . 18166 1 241 . 1 1 24 24 ASN HB3 H 1 2.899 0.020 . 2 . . . A 24 ASN HB3 . 18166 1 242 . 1 1 24 24 ASN HD21 H 1 7.918 0.020 . 2 . . . A 24 ASN HD21 . 18166 1 243 . 1 1 24 24 ASN HD22 H 1 6.949 0.020 . 2 . . . A 24 ASN HD22 . 18166 1 244 . 1 1 24 24 ASN CA C 13 55.201 0.400 . 1 . . . A 24 ASN CA . 18166 1 245 . 1 1 24 24 ASN CB C 13 37.570 0.400 . 1 . . . A 24 ASN CB . 18166 1 246 . 1 1 24 24 ASN N N 15 120.049 0.400 . 1 . . . A 24 ASN N . 18166 1 247 . 1 1 24 24 ASN ND2 N 15 112.631 0.400 . 1 . . . A 24 ASN ND2 . 18166 1 248 . 1 1 25 25 GLU C C 13 178.990 0.400 . 1 . . . . 25 GLU C . 18166 1 249 . 1 1 25 25 GLU H H 1 8.366 0.020 . 1 . . . A 25 GLU H . 18166 1 250 . 1 1 25 25 GLU HA H 1 4.047 0.020 . 1 . . . A 25 GLU HA . 18166 1 251 . 1 1 25 25 GLU HB2 H 1 2.092 0.020 . 1 . . . A 25 GLU HB2 . 18166 1 252 . 1 1 25 25 GLU HB3 H 1 2.091 0.020 . 1 . . . A 25 GLU HB3 . 18166 1 253 . 1 1 25 25 GLU HG2 H 1 2.374 0.020 . 2 . . . A 25 GLU HG2 . 18166 1 254 . 1 1 25 25 GLU HG3 H 1 2.201 0.020 . 2 . . . A 25 GLU HG3 . 18166 1 255 . 1 1 25 25 GLU CA C 13 58.976 0.400 . 1 . . . A 25 GLU CA . 18166 1 256 . 1 1 25 25 GLU CB C 13 29.103 0.400 . 1 . . . A 25 GLU CB . 18166 1 257 . 1 1 25 25 GLU CG C 13 35.360 0.400 . 1 . . . A 25 GLU CG . 18166 1 258 . 1 1 25 25 GLU N N 15 121.510 0.400 . 1 . . . A 25 GLU N . 18166 1 259 . 1 1 26 26 CYS C C 13 175.996 0.400 . 1 . . . . 26 CYS C . 18166 1 260 . 1 1 26 26 CYS H H 1 8.092 0.020 . 1 . . . A 26 CYS H . 18166 1 261 . 1 1 26 26 CYS HA H 1 4.102 0.020 . 1 . . . A 26 CYS HA . 18166 1 262 . 1 1 26 26 CYS HB2 H 1 3.097 0.020 . 2 . . . A 26 CYS HB2 . 18166 1 263 . 1 1 26 26 CYS HB3 H 1 2.783 0.020 . 2 . . . A 26 CYS HB3 . 18166 1 264 . 1 1 26 26 CYS CA C 13 63.004 0.400 . 1 . . . A 26 CYS CA . 18166 1 265 . 1 1 26 26 CYS CB C 13 26.256 0.400 . 1 . . . A 26 CYS CB . 18166 1 266 . 1 1 26 26 CYS N N 15 116.512 0.400 . 1 . . . A 26 CYS N . 18166 1 267 . 1 1 27 27 PHE C C 13 178.549 0.400 . 1 . . . . 27 PHE C . 18166 1 268 . 1 1 27 27 PHE H H 1 8.756 0.020 . 1 . . . A 27 PHE H . 18166 1 269 . 1 1 27 27 PHE HA H 1 3.752 0.020 . 1 . . . A 27 PHE HA . 18166 1 270 . 1 1 27 27 PHE HB2 H 1 3.189 0.020 . 2 . . . A 27 PHE HB2 . 18166 1 271 . 1 1 27 27 PHE HB3 H 1 3.377 0.020 . 2 . . . A 27 PHE HB3 . 18166 1 272 . 1 1 27 27 PHE HD1 H 1 7.314 0.020 . 1 . . . A 27 PHE HD1 . 18166 1 273 . 1 1 27 27 PHE HD2 H 1 7.315 0.020 . 1 . . . A 27 PHE HD2 . 18166 1 274 . 1 1 27 27 PHE HE1 H 1 7.089 0.020 . 1 . . . A 27 PHE HE1 . 18166 1 275 . 1 1 27 27 PHE HE2 H 1 7.075 0.020 . 1 . . . A 27 PHE HE2 . 18166 1 276 . 1 1 27 27 PHE CA C 13 61.480 0.400 . 1 . . . A 27 PHE CA . 18166 1 277 . 1 1 27 27 PHE CB C 13 39.902 0.400 . 1 . . . A 27 PHE CB . 18166 1 278 . 1 1 27 27 PHE CD1 C 13 131.438 0.400 . 1 . . . A 27 PHE CD1 . 18166 1 279 . 1 1 27 27 PHE CD2 C 13 131.330 0.400 . 1 . . . A 27 PHE CD2 . 18166 1 280 . 1 1 27 27 PHE CE1 C 13 132.359 0.400 . 1 . . . A 27 PHE CE1 . 18166 1 281 . 1 1 27 27 PHE CE2 C 13 132.240 0.400 . 1 . . . A 27 PHE CE2 . 18166 1 282 . 1 1 27 27 PHE N N 15 122.066 0.400 . 1 . . . A 27 PHE N . 18166 1 283 . 1 1 28 28 GLN C C 13 177.254 0.400 . 1 . . . . 28 GLN C . 18166 1 284 . 1 1 28 28 GLN H H 1 8.574 0.020 . 1 . . . A 28 GLN H . 18166 1 285 . 1 1 28 28 GLN HA H 1 4.016 0.020 . 1 . . . A 28 GLN HA . 18166 1 286 . 1 1 28 28 GLN HB2 H 1 2.197 0.020 . 1 . . . A 28 GLN HB2 . 18166 1 287 . 1 1 28 28 GLN HB3 H 1 2.196 0.020 . 1 . . . A 28 GLN HB3 . 18166 1 288 . 1 1 28 28 GLN HG2 H 1 2.548 0.020 . 2 . . . A 28 GLN HG2 . 18166 1 289 . 1 1 28 28 GLN HG3 H 1 2.561 0.020 . 2 . . . A 28 GLN HG3 . 18166 1 290 . 1 1 28 28 GLN HE21 H 1 7.521 0.020 . 2 . . . A 28 GLN HE21 . 18166 1 291 . 1 1 28 28 GLN HE22 H 1 6.902 0.020 . 2 . . . A 28 GLN HE22 . 18166 1 292 . 1 1 28 28 GLN CA C 13 58.125 0.400 . 1 . . . A 28 GLN CA . 18166 1 293 . 1 1 28 28 GLN CB C 13 28.210 0.400 . 1 . . . A 28 GLN CB . 18166 1 294 . 1 1 28 28 GLN CG C 13 33.457 0.400 . 1 . . . A 28 GLN CG . 18166 1 295 . 1 1 28 28 GLN N N 15 119.430 0.400 . 1 . . . A 28 GLN N . 18166 1 296 . 1 1 28 28 GLN NE2 N 15 111.511 0.400 . 1 . . . A 28 GLN NE2 . 18166 1 297 . 1 1 29 29 LYS C C 13 176.583 0.400 . 1 . . . . 29 LYS C . 18166 1 298 . 1 1 29 29 LYS H H 1 7.410 0.020 . 1 . . . A 29 LYS H . 18166 1 299 . 1 1 29 29 LYS HA H 1 4.244 0.020 . 1 . . . A 29 LYS HA . 18166 1 300 . 1 1 29 29 LYS HB2 H 1 1.863 0.020 . 2 . . . A 29 LYS HB2 . 18166 1 301 . 1 1 29 29 LYS HB3 H 1 1.794 0.020 . 2 . . . A 29 LYS HB3 . 18166 1 302 . 1 1 29 29 LYS HG2 H 1 1.500 0.020 . 2 . . . A 29 LYS HG2 . 18166 1 303 . 1 1 29 29 LYS HG3 H 1 1.497 0.020 . 2 . . . A 29 LYS HG3 . 18166 1 304 . 1 1 29 29 LYS HD2 H 1 1.638 0.020 . 2 . . . A 29 LYS HD2 . 18166 1 305 . 1 1 29 29 LYS HD3 H 1 1.635 0.020 . 2 . . . A 29 LYS HD3 . 18166 1 306 . 1 1 29 29 LYS HE2 H 1 2.923 0.020 . 2 . . . A 29 LYS HE2 . 18166 1 307 . 1 1 29 29 LYS HE3 H 1 2.919 0.020 . 2 . . . A 29 LYS HE3 . 18166 1 308 . 1 1 29 29 LYS CA C 13 56.098 0.400 . 1 . . . A 29 LYS CA . 18166 1 309 . 1 1 29 29 LYS CB C 13 32.536 0.400 . 1 . . . A 29 LYS CB . 18166 1 310 . 1 1 29 29 LYS CG C 13 24.703 0.400 . 1 . . . A 29 LYS CG . 18166 1 311 . 1 1 29 29 LYS CD C 13 28.856 0.400 . 1 . . . A 29 LYS CD . 18166 1 312 . 1 1 29 29 LYS CE C 13 41.867 0.400 . 1 . . . A 29 LYS CE . 18166 1 313 . 1 1 29 29 LYS N N 15 116.011 0.400 . 1 . . . A 29 LYS N . 18166 1 314 . 1 1 30 30 GLY C C 13 173.092 0.400 . 1 . . . . 30 GLY C . 18166 1 315 . 1 1 30 30 GLY H H 1 7.566 0.020 . 1 . . . A 30 GLY H . 18166 1 316 . 1 1 30 30 GLY HA2 H 1 3.785 0.020 . 2 . . . A 30 GLY HA2 . 18166 1 317 . 1 1 30 30 GLY HA3 H 1 2.809 0.020 . 2 . . . A 30 GLY HA3 . 18166 1 318 . 1 1 30 30 GLY CA C 13 44.583 0.400 . 1 . . . A 30 GLY CA . 18166 1 319 . 1 1 30 30 GLY N N 15 107.636 0.400 . 1 . . . A 30 GLY N . 18166 1 320 . 1 1 31 31 ASP C C 13 175.990 0.400 . 1 . . . . 31 ASP C . 18166 1 321 . 1 1 31 31 ASP H H 1 7.826 0.020 . 1 . . . A 31 ASP H . 18166 1 322 . 1 1 31 31 ASP HA H 1 4.668 0.020 . 1 . . . A 31 ASP HA . 18166 1 323 . 1 1 31 31 ASP HB2 H 1 2.693 0.020 . 2 . . . A 31 ASP HB2 . 18166 1 324 . 1 1 31 31 ASP HB3 H 1 2.278 0.020 . 2 . . . A 31 ASP HB3 . 18166 1 325 . 1 1 31 31 ASP CA C 13 51.041 0.400 . 1 . . . A 31 ASP CA . 18166 1 326 . 1 1 31 31 ASP CB C 13 38.718 0.400 . 1 . . . A 31 ASP CB . 18166 1 327 . 1 1 31 31 ASP N N 15 120.587 0.400 . 1 . . . A 31 ASP N . 18166 1 328 . 1 1 32 32 TYR H H 1 7.313 0.020 . 1 . . . A 32 TYR H . 18166 1 329 . 1 1 32 32 TYR HA H 1 3.772 0.020 . 1 . . . A 32 TYR HA . 18166 1 330 . 1 1 32 32 TYR HB2 H 1 2.984 0.020 . 1 . . . A 32 TYR HB2 . 18166 1 331 . 1 1 32 32 TYR HB3 H 1 2.983 0.020 . 1 . . . A 32 TYR HB3 . 18166 1 332 . 1 1 32 32 TYR HD1 H 1 7.070 0.020 . 1 . . . A 32 TYR HD1 . 18166 1 333 . 1 1 32 32 TYR HD2 H 1 7.073 0.020 . 1 . . . A 32 TYR HD2 . 18166 1 334 . 1 1 32 32 TYR HE1 H 1 6.346 0.020 . 1 . . . A 32 TYR HE1 . 18166 1 335 . 1 1 32 32 TYR HE2 H 1 6.345 0.020 . 1 . . . A 32 TYR HE2 . 18166 1 336 . 1 1 32 32 TYR CA C 13 62.254 0.400 . 1 . . . A 32 TYR CA . 18166 1 337 . 1 1 32 32 TYR CD1 C 13 132.528 0.400 . 1 . . . A 32 TYR CD1 . 18166 1 338 . 1 1 32 32 TYR CD2 C 13 132.232 0.400 . 1 . . . A 32 TYR CD2 . 18166 1 339 . 1 1 32 32 TYR CE1 C 13 118.792 0.400 . 1 . . . A 32 TYR CE1 . 18166 1 340 . 1 1 32 32 TYR CE2 C 13 118.784 0.400 . 1 . . . A 32 TYR CE2 . 18166 1 341 . 1 1 32 32 TYR N N 15 120.190 0.400 . 1 . . . A 32 TYR N . 18166 1 342 . 1 1 33 33 PRO C C 13 179.592 0.400 . 1 . . . . 33 PRO C . 18166 1 343 . 1 1 33 33 PRO HA H 1 4.220 0.020 . 1 . . . A 33 PRO HA . 18166 1 344 . 1 1 33 33 PRO HB2 H 1 1.895 0.020 . 2 . . . A 33 PRO HB2 . 18166 1 345 . 1 1 33 33 PRO HB3 H 1 2.390 0.020 . 2 . . . A 33 PRO HB3 . 18166 1 346 . 1 1 33 33 PRO HG2 H 1 1.969 0.020 . 2 . . . A 33 PRO HG2 . 18166 1 347 . 1 1 33 33 PRO HG3 H 1 2.222 0.020 . 2 . . . A 33 PRO HG3 . 18166 1 348 . 1 1 33 33 PRO CA C 13 66.355 0.400 . 1 . . . A 33 PRO CA . 18166 1 349 . 1 1 33 33 PRO CB C 13 31.287 0.400 . 1 . . . A 33 PRO CB . 18166 1 350 . 1 1 33 33 PRO CG C 13 28.059 0.400 . 1 . . . A 33 PRO CG . 18166 1 351 . 1 1 34 34 GLN C C 13 178.395 0.400 . 1 . . . . 34 GLN C . 18166 1 352 . 1 1 34 34 GLN H H 1 7.278 0.020 . 1 . . . A 34 GLN H . 18166 1 353 . 1 1 34 34 GLN HA H 1 3.925 0.020 . 1 . . . A 34 GLN HA . 18166 1 354 . 1 1 34 34 GLN HB2 H 1 1.937 0.020 . 1 . . . A 34 GLN HB2 . 18166 1 355 . 1 1 34 34 GLN HB3 H 1 1.936 0.020 . 1 . . . A 34 GLN HB3 . 18166 1 356 . 1 1 34 34 GLN HG2 H 1 2.375 0.020 . 1 . . . A 34 GLN HG2 . 18166 1 357 . 1 1 34 34 GLN HG3 H 1 2.375 0.020 . 1 . . . A 34 GLN HG3 . 18166 1 358 . 1 1 34 34 GLN HE21 H 1 7.420 0.020 . 2 . . . A 34 GLN HE21 . 18166 1 359 . 1 1 34 34 GLN HE22 H 1 6.935 0.020 . 2 . . . A 34 GLN HE22 . 18166 1 360 . 1 1 34 34 GLN CA C 13 58.164 0.400 . 1 . . . A 34 GLN CA . 18166 1 361 . 1 1 34 34 GLN CB C 13 28.378 0.400 . 1 . . . A 34 GLN CB . 18166 1 362 . 1 1 34 34 GLN CG C 13 35.066 0.400 . 1 . . . A 34 GLN CG . 18166 1 363 . 1 1 34 34 GLN N N 15 115.797 0.400 . 1 . . . A 34 GLN N . 18166 1 364 . 1 1 34 34 GLN NE2 N 15 112.794 0.400 . 1 . . . A 34 GLN NE2 . 18166 1 365 . 1 1 35 35 ALA C C 13 178.539 0.400 . 1 . . . . 35 ALA C . 18166 1 366 . 1 1 35 35 ALA H H 1 8.376 0.020 . 1 . . . A 35 ALA H . 18166 1 367 . 1 1 35 35 ALA HA H 1 4.072 0.020 . 1 . . . A 35 ALA HA . 18166 1 368 . 1 1 35 35 ALA HB1 H 1 1.612 0.020 . 1 . . . A 35 ALA HB1 . 18166 1 369 . 1 1 35 35 ALA HB2 H 1 1.612 0.020 . 1 . . . A 35 ALA HB2 . 18166 1 370 . 1 1 35 35 ALA HB3 H 1 1.612 0.020 . 1 . . . A 35 ALA HB3 . 18166 1 371 . 1 1 35 35 ALA CA C 13 55.597 0.400 . 1 . . . A 35 ALA CA . 18166 1 372 . 1 1 35 35 ALA CB C 13 18.545 0.400 . 1 . . . A 35 ALA CB . 18166 1 373 . 1 1 35 35 ALA N N 15 121.852 0.400 . 1 . . . A 35 ALA N . 18166 1 374 . 1 1 36 36 MET C C 13 178.908 0.400 . 1 . . . . 36 MET C . 18166 1 375 . 1 1 36 36 MET H H 1 8.538 0.020 . 1 . . . A 36 MET H . 18166 1 376 . 1 1 36 36 MET HA H 1 3.887 0.020 . 1 . . . A 36 MET HA . 18166 1 377 . 1 1 36 36 MET HB2 H 1 2.076 0.020 . 2 . . . A 36 MET HB2 . 18166 1 378 . 1 1 36 36 MET HB3 H 1 1.929 0.020 . 2 . . . A 36 MET HB3 . 18166 1 379 . 1 1 36 36 MET HG2 H 1 2.317 0.020 . 2 . . . A 36 MET HG2 . 18166 1 380 . 1 1 36 36 MET HG3 H 1 2.082 0.020 . 2 . . . A 36 MET HG3 . 18166 1 381 . 1 1 36 36 MET HE1 H 1 1.779 0.020 . 1 . . . A 36 MET HE1 . 18166 1 382 . 1 1 36 36 MET HE2 H 1 1.779 0.020 . 1 . . . A 36 MET HE2 . 18166 1 383 . 1 1 36 36 MET HE3 H 1 1.779 0.020 . 1 . . . A 36 MET HE3 . 18166 1 384 . 1 1 36 36 MET CA C 13 59.400 0.400 . 1 . . . A 36 MET CA . 18166 1 385 . 1 1 36 36 MET CB C 13 30.626 0.400 . 1 . . . A 36 MET CB . 18166 1 386 . 1 1 36 36 MET CG C 13 31.082 0.400 . 1 . . . A 36 MET CG . 18166 1 387 . 1 1 36 36 MET CE C 13 16.247 0.400 . 1 . . . A 36 MET CE . 18166 1 388 . 1 1 36 36 MET N N 15 116.867 0.400 . 1 . . . A 36 MET N . 18166 1 389 . 1 1 37 37 LYS C C 13 179.343 0.400 . 1 . . . . 37 LYS C . 18166 1 390 . 1 1 37 37 LYS H H 1 7.599 0.020 . 1 . . . A 37 LYS H . 18166 1 391 . 1 1 37 37 LYS HA H 1 3.912 0.020 . 1 . . . A 37 LYS HA . 18166 1 392 . 1 1 37 37 LYS HB2 H 1 1.729 0.020 . 1 . . . A 37 LYS HB2 . 18166 1 393 . 1 1 37 37 LYS HB3 H 1 1.728 0.020 . 1 . . . A 37 LYS HB3 . 18166 1 394 . 1 1 37 37 LYS HG2 H 1 1.486 0.020 . 2 . . . A 37 LYS HG2 . 18166 1 395 . 1 1 37 37 LYS HG3 H 1 1.191 0.020 . 2 . . . A 37 LYS HG3 . 18166 1 396 . 1 1 37 37 LYS HD2 H 1 1.515 0.020 . 2 . . . A 37 LYS HD2 . 18166 1 397 . 1 1 37 37 LYS HD3 H 1 1.501 0.020 . 2 . . . A 37 LYS HD3 . 18166 1 398 . 1 1 37 37 LYS HE2 H 1 2.831 0.020 . 2 . . . A 37 LYS HE2 . 18166 1 399 . 1 1 37 37 LYS HE3 H 1 2.836 0.020 . 2 . . . A 37 LYS HE3 . 18166 1 400 . 1 1 37 37 LYS CA C 13 59.225 0.400 . 1 . . . A 37 LYS CA . 18166 1 401 . 1 1 37 37 LYS CB C 13 32.196 0.400 . 1 . . . A 37 LYS CB . 18166 1 402 . 1 1 37 37 LYS CG C 13 24.693 0.400 . 1 . . . A 37 LYS CG . 18166 1 403 . 1 1 37 37 LYS CD C 13 29.117 0.400 . 1 . . . A 37 LYS CD . 18166 1 404 . 1 1 37 37 LYS CE C 13 41.667 0.400 . 1 . . . A 37 LYS CE . 18166 1 405 . 1 1 37 37 LYS N N 15 122.037 0.400 . 1 . . . A 37 LYS N . 18166 1 406 . 1 1 38 38 HIS C C 13 178.503 0.400 . 1 . . . . 38 HIS C . 18166 1 407 . 1 1 38 38 HIS H H 1 7.908 0.020 . 1 . . . A 38 HIS H . 18166 1 408 . 1 1 38 38 HIS HA H 1 4.635 0.020 . 1 . . . A 38 HIS HA . 18166 1 409 . 1 1 38 38 HIS HB2 H 1 3.104 0.020 . 2 . . . A 38 HIS HB2 . 18166 1 410 . 1 1 38 38 HIS HB3 H 1 2.731 0.020 . 2 . . . A 38 HIS HB3 . 18166 1 411 . 1 1 38 38 HIS HD2 H 1 8.340 0.020 . 1 . . . A 38 HIS HD2 . 18166 1 412 . 1 1 38 38 HIS CA C 13 58.000 0.400 . 1 . . . A 38 HIS CA . 18166 1 413 . 1 1 38 38 HIS CB C 13 28.000 0.400 . 1 . . . A 38 HIS CB . 18166 1 414 . 1 1 38 38 HIS N N 15 117.718 0.400 . 1 . . . A 38 HIS N . 18166 1 415 . 1 1 39 39 TYR C C 13 177.866 0.400 . 1 . . . . 39 TYR C . 18166 1 416 . 1 1 39 39 TYR H H 1 9.156 0.020 . 1 . . . A 39 TYR H . 18166 1 417 . 1 1 39 39 TYR HA H 1 4.465 0.020 . 1 . . . A 39 TYR HA . 18166 1 418 . 1 1 39 39 TYR HB2 H 1 2.929 0.020 . 2 . . . A 39 TYR HB2 . 18166 1 419 . 1 1 39 39 TYR HB3 H 1 2.746 0.020 . 2 . . . A 39 TYR HB3 . 18166 1 420 . 1 1 39 39 TYR HD1 H 1 6.858 0.020 . 1 . . . A 39 TYR HD1 . 18166 1 421 . 1 1 39 39 TYR HD2 H 1 6.866 0.020 . 1 . . . A 39 TYR HD2 . 18166 1 422 . 1 1 39 39 TYR HE1 H 1 6.516 0.020 . 1 . . . A 39 TYR HE1 . 18166 1 423 . 1 1 39 39 TYR HE2 H 1 6.513 0.020 . 1 . . . A 39 TYR HE2 . 18166 1 424 . 1 1 39 39 TYR CA C 13 60.253 0.400 . 1 . . . A 39 TYR CA . 18166 1 425 . 1 1 39 39 TYR CB C 13 36.791 0.400 . 1 . . . A 39 TYR CB . 18166 1 426 . 1 1 39 39 TYR CD1 C 13 131.378 0.400 . 1 . . . A 39 TYR CD1 . 18166 1 427 . 1 1 39 39 TYR CD2 C 13 131.396 0.400 . 1 . . . A 39 TYR CD2 . 18166 1 428 . 1 1 39 39 TYR CE1 C 13 117.067 0.400 . 1 . . . A 39 TYR CE1 . 18166 1 429 . 1 1 39 39 TYR CE2 C 13 117.512 0.400 . 1 . . . A 39 TYR CE2 . 18166 1 430 . 1 1 39 39 TYR N N 15 118.987 0.400 . 1 . . . A 39 TYR N . 18166 1 431 . 1 1 40 40 THR C C 13 175.783 0.400 . 1 . . . . 40 THR C . 18166 1 432 . 1 1 40 40 THR H H 1 8.476 0.020 . 1 . . . A 40 THR H . 18166 1 433 . 1 1 40 40 THR HA H 1 3.872 0.020 . 1 . . . A 40 THR HA . 18166 1 434 . 1 1 40 40 THR HB H 1 4.483 0.020 . 1 . . . A 40 THR HB . 18166 1 435 . 1 1 40 40 THR HG21 H 1 1.193 0.020 . 1 . . . A 40 THR HG21 . 18166 1 436 . 1 1 40 40 THR HG22 H 1 1.193 0.020 . 1 . . . A 40 THR HG22 . 18166 1 437 . 1 1 40 40 THR HG23 H 1 1.193 0.020 . 1 . . . A 40 THR HG23 . 18166 1 438 . 1 1 40 40 THR CA C 13 67.449 0.400 . 1 . . . A 40 THR CA . 18166 1 439 . 1 1 40 40 THR CB C 13 68.728 0.400 . 1 . . . A 40 THR CB . 18166 1 440 . 1 1 40 40 THR CG2 C 13 20.332 0.400 . 1 . . . A 40 THR CG2 . 18166 1 441 . 1 1 40 40 THR N N 15 117.147 0.400 . 1 . . . A 40 THR N . 18166 1 442 . 1 1 41 41 GLU H H 1 7.762 0.020 . 1 . . . A 41 GLU H . 18166 1 443 . 1 1 41 41 GLU HA H 1 3.979 0.020 . 1 . . . A 41 GLU HA . 18166 1 444 . 1 1 41 41 GLU HB2 H 1 2.077 0.020 . 2 . . . A 41 GLU HB2 . 18166 1 445 . 1 1 41 41 GLU HB3 H 1 2.264 0.020 . 2 . . . A 41 GLU HB3 . 18166 1 446 . 1 1 41 41 GLU HG2 H 1 2.347 0.020 . 2 . . . A 41 GLU HG2 . 18166 1 447 . 1 1 41 41 GLU HG3 H 1 2.380 0.020 . 2 . . . A 41 GLU HG3 . 18166 1 448 . 1 1 41 41 GLU CA C 13 58.745 0.400 . 1 . . . A 41 GLU CA . 18166 1 449 . 1 1 41 41 GLU CB C 13 28.723 0.400 . 1 . . . A 41 GLU CB . 18166 1 450 . 1 1 41 41 GLU CG C 13 35.491 0.400 . 1 . . . A 41 GLU CG . 18166 1 451 . 1 1 41 41 GLU N N 15 122.067 0.400 . 1 . . . A 41 GLU N . 18166 1 452 . 1 1 42 42 ALA C C 13 179.878 0.400 . 1 . . . . 42 ALA C . 18166 1 453 . 1 1 42 42 ALA H H 1 8.191 0.020 . 1 . . . A 42 ALA H . 18166 1 454 . 1 1 42 42 ALA HA H 1 3.969 0.020 . 1 . . . A 42 ALA HA . 18166 1 455 . 1 1 42 42 ALA HB1 H 1 1.597 0.020 . 1 . . . A 42 ALA HB1 . 18166 1 456 . 1 1 42 42 ALA HB2 H 1 1.597 0.020 . 1 . . . A 42 ALA HB2 . 18166 1 457 . 1 1 42 42 ALA HB3 H 1 1.597 0.020 . 1 . . . A 42 ALA HB3 . 18166 1 458 . 1 1 42 42 ALA CA C 13 55.169 0.400 . 1 . . . A 42 ALA CA . 18166 1 459 . 1 1 42 42 ALA CB C 13 18.370 0.400 . 1 . . . A 42 ALA CB . 18166 1 460 . 1 1 42 42 ALA N N 15 122.040 0.400 . 1 . . . A 42 ALA N . 18166 1 461 . 1 1 43 43 ILE C C 13 176.692 0.400 . 1 . . . . 43 ILE C . 18166 1 462 . 1 1 43 43 ILE H H 1 8.427 0.020 . 1 . . . A 43 ILE H . 18166 1 463 . 1 1 43 43 ILE HA H 1 3.316 0.020 . 1 . . . A 43 ILE HA . 18166 1 464 . 1 1 43 43 ILE HB H 1 1.638 0.020 . 1 . . . A 43 ILE HB . 18166 1 465 . 1 1 43 43 ILE HG12 H 1 0.941 0.020 . 1 . . . A 43 ILE HG12 . 18166 1 466 . 1 1 43 43 ILE HG13 H 1 0.941 0.020 . 1 . . . A 43 ILE HG13 . 18166 1 467 . 1 1 43 43 ILE HG21 H 1 0.718 0.020 . 1 . . . A 43 ILE HG21 . 18166 1 468 . 1 1 43 43 ILE HG22 H 1 0.718 0.020 . 1 . . . A 43 ILE HG22 . 18166 1 469 . 1 1 43 43 ILE HG23 H 1 0.718 0.020 . 1 . . . A 43 ILE HG23 . 18166 1 470 . 1 1 43 43 ILE HD11 H 1 0.061 0.020 . 1 . . . A 43 ILE HD11 . 18166 1 471 . 1 1 43 43 ILE HD12 H 1 0.061 0.020 . 1 . . . A 43 ILE HD12 . 18166 1 472 . 1 1 43 43 ILE HD13 H 1 0.061 0.020 . 1 . . . A 43 ILE HD13 . 18166 1 473 . 1 1 43 43 ILE CA C 13 64.598 0.400 . 1 . . . A 43 ILE CA . 18166 1 474 . 1 1 43 43 ILE CB C 13 38.487 0.400 . 1 . . . A 43 ILE CB . 18166 1 475 . 1 1 43 43 ILE CG1 C 13 26.387 0.400 . 1 . . . A 43 ILE CG1 . 18166 1 476 . 1 1 43 43 ILE CG2 C 13 17.014 0.400 . 1 . . . A 43 ILE CG2 . 18166 1 477 . 1 1 43 43 ILE CD1 C 13 11.781 0.400 . 1 . . . A 43 ILE CD1 . 18166 1 478 . 1 1 44 44 LYS C C 13 179.163 0.400 . 1 . . . . 44 LYS C . 18166 1 479 . 1 1 43 43 ILE N N 15 122.662 0.400 . 1 . . . A 43 ILE N . 18166 1 480 . 1 1 44 44 LYS H H 1 7.473 0.020 . 1 . . . A 44 LYS H . 18166 1 481 . 1 1 44 44 LYS HA H 1 3.941 0.020 . 1 . . . A 44 LYS HA . 18166 1 482 . 1 1 44 44 LYS HB2 H 1 1.873 0.020 . 1 . . . A 44 LYS HB2 . 18166 1 483 . 1 1 44 44 LYS HB3 H 1 1.874 0.020 . 1 . . . A 44 LYS HB3 . 18166 1 484 . 1 1 44 44 LYS HG2 H 1 1.388 0.020 . 2 . . . A 44 LYS HG2 . 18166 1 485 . 1 1 44 44 LYS HG3 H 1 1.562 0.020 . 2 . . . A 44 LYS HG3 . 18166 1 486 . 1 1 44 44 LYS HD2 H 1 1.662 0.020 . 2 . . . A 44 LYS HD2 . 18166 1 487 . 1 1 44 44 LYS HD3 H 1 1.659 0.020 . 2 . . . A 44 LYS HD3 . 18166 1 488 . 1 1 44 44 LYS HE2 H 1 2.908 0.020 . 2 . . . A 44 LYS HE2 . 18166 1 489 . 1 1 44 44 LYS HE3 H 1 2.915 0.020 . 2 . . . A 44 LYS HE3 . 18166 1 490 . 1 1 44 44 LYS CA C 13 58.701 0.400 . 1 . . . A 44 LYS CA . 18166 1 491 . 1 1 44 44 LYS CB C 13 31.991 0.400 . 1 . . . A 44 LYS CB . 18166 1 492 . 1 1 44 44 LYS CG C 13 24.868 0.400 . 1 . . . A 44 LYS CG . 18166 1 493 . 1 1 44 44 LYS CD C 13 29.108 0.400 . 1 . . . A 44 LYS CD . 18166 1 494 . 1 1 44 44 LYS CE C 13 42.084 0.400 . 1 . . . A 44 LYS CE . 18166 1 495 . 1 1 44 44 LYS N N 15 117.349 0.400 . 1 . . . A 44 LYS N . 18166 1 496 . 1 1 45 45 ARG C C 13 176.601 0.400 . 1 . . . . 45 ARG C . 18166 1 497 . 1 1 45 45 ARG H H 1 7.150 0.020 . 1 . . . A 45 ARG H . 18166 1 498 . 1 1 45 45 ARG HA H 1 4.173 0.020 . 1 . . . A 45 ARG HA . 18166 1 499 . 1 1 45 45 ARG HB2 H 1 1.797 0.020 . 2 . . . A 45 ARG HB2 . 18166 1 500 . 1 1 45 45 ARG HB3 H 1 1.904 0.020 . 2 . . . A 45 ARG HB3 . 18166 1 501 . 1 1 45 45 ARG HG2 H 1 1.788 0.020 . 2 . . . A 45 ARG HG2 . 18166 1 502 . 1 1 45 45 ARG HG3 H 1 1.665 0.020 . 2 . . . A 45 ARG HG3 . 18166 1 503 . 1 1 45 45 ARG HD2 H 1 3.182 0.020 . 2 . . . A 45 ARG HD2 . 18166 1 504 . 1 1 45 45 ARG HD3 H 1 3.086 0.020 . 2 . . . A 45 ARG HD3 . 18166 1 505 . 1 1 45 45 ARG CA C 13 57.406 0.400 . 1 . . . A 45 ARG CA . 18166 1 506 . 1 1 45 45 ARG CB C 13 30.337 0.400 . 1 . . . A 45 ARG CB . 18166 1 507 . 1 1 45 45 ARG CG C 13 27.642 0.400 . 1 . . . A 45 ARG CG . 18166 1 508 . 1 1 45 45 ARG CD C 13 42.658 0.400 . 1 . . . A 45 ARG CD . 18166 1 509 . 1 1 45 45 ARG N N 15 114.723 0.400 . 1 . . . A 45 ARG N . 18166 1 510 . 1 1 46 46 ASN H H 1 7.885 0.020 . 1 . . . A 46 ASN H . 18166 1 511 . 1 1 46 46 ASN HA H 1 5.073 0.020 . 1 . . . A 46 ASN HA . 18166 1 512 . 1 1 46 46 ASN HB2 H 1 2.923 0.020 . 2 . . . A 46 ASN HB2 . 18166 1 513 . 1 1 46 46 ASN HB3 H 1 2.593 0.020 . 2 . . . A 46 ASN HB3 . 18166 1 514 . 1 1 46 46 ASN HD21 H 1 7.684 0.020 . 2 . . . A 46 ASN HD21 . 18166 1 515 . 1 1 46 46 ASN HD22 H 1 7.028 0.020 . 2 . . . A 46 ASN HD22 . 18166 1 516 . 1 1 46 46 ASN CA C 13 51.157 0.400 . 1 . . . A 46 ASN CA . 18166 1 517 . 1 1 46 46 ASN CB C 13 38.631 0.400 . 1 . . . A 46 ASN CB . 18166 1 518 . 1 1 46 46 ASN N N 15 115.919 0.400 . 1 . . . A 46 ASN N . 18166 1 519 . 1 1 46 46 ASN ND2 N 15 112.364 0.400 . 1 . . . A 46 ASN ND2 . 18166 1 520 . 1 1 47 47 PRO HA H 1 4.732 0.020 . 1 . . . A 47 PRO HA . 18166 1 521 . 1 1 47 47 PRO HB2 H 1 2.409 0.020 . 2 . . . A 47 PRO HB2 . 18166 1 522 . 1 1 47 47 PRO HB3 H 1 2.011 0.020 . 2 . . . A 47 PRO HB3 . 18166 1 523 . 1 1 47 47 PRO HG2 H 1 2.108 0.020 . 2 . . . A 47 PRO HG2 . 18166 1 524 . 1 1 47 47 PRO HG3 H 1 1.839 0.020 . 2 . . . A 47 PRO HG3 . 18166 1 525 . 1 1 47 47 PRO HD2 H 1 3.444 0.020 . 2 . . . A 47 PRO HD2 . 18166 1 526 . 1 1 47 47 PRO HD3 H 1 3.684 0.020 . 2 . . . A 47 PRO HD3 . 18166 1 527 . 1 1 47 47 PRO CA C 13 64.205 0.400 . 1 . . . A 47 PRO CA . 18166 1 528 . 1 1 47 47 PRO CB C 13 31.954 0.400 . 1 . . . A 47 PRO CB . 18166 1 529 . 1 1 47 47 PRO CG C 13 26.637 0.400 . 1 . . . A 47 PRO CG . 18166 1 530 . 1 1 47 47 PRO CD C 13 50.112 0.400 . 1 . . . A 47 PRO CD . 18166 1 531 . 1 1 48 48 LYS C C 13 174.911 0.400 . 1 . . . . 48 LYS C . 18166 1 532 . 1 1 48 48 LYS H H 1 8.154 0.020 . 1 . . . A 48 LYS H . 18166 1 533 . 1 1 48 48 LYS HA H 1 4.635 0.020 . 1 . . . A 48 LYS HA . 18166 1 534 . 1 1 48 48 LYS HB2 H 1 1.786 0.020 . 2 . . . A 48 LYS HB2 . 18166 1 535 . 1 1 48 48 LYS HB3 H 1 1.746 0.020 . 2 . . . A 48 LYS HB3 . 18166 1 536 . 1 1 48 48 LYS HG2 H 1 1.433 0.020 . 2 . . . A 48 LYS HG2 . 18166 1 537 . 1 1 48 48 LYS HG3 H 1 1.287 0.020 . 2 . . . A 48 LYS HG3 . 18166 1 538 . 1 1 48 48 LYS HD2 H 1 1.662 0.020 . 2 . . . A 48 LYS HD2 . 18166 1 539 . 1 1 48 48 LYS HD3 H 1 1.674 0.020 . 2 . . . A 48 LYS HD3 . 18166 1 540 . 1 1 48 48 LYS HE2 H 1 2.977 0.020 . 1 . . . A 48 LYS HE2 . 18166 1 541 . 1 1 48 48 LYS HE3 H 1 2.977 0.020 . 1 . . . A 48 LYS HE3 . 18166 1 542 . 1 1 48 48 LYS CA C 13 55.000 0.400 . 1 . . . A 48 LYS CA . 18166 1 543 . 1 1 48 48 LYS CB C 13 31.427 0.400 . 1 . . . A 48 LYS CB . 18166 1 544 . 1 1 48 48 LYS CG C 13 25.066 0.400 . 1 . . . A 48 LYS CG . 18166 1 545 . 1 1 48 48 LYS CD C 13 28.568 0.400 . 1 . . . A 48 LYS CD . 18166 1 546 . 1 1 48 48 LYS CE C 13 41.780 0.400 . 1 . . . A 48 LYS CE . 18166 1 547 . 1 1 48 48 LYS N N 15 118.494 0.400 . 1 . . . A 48 LYS N . 18166 1 548 . 1 1 49 49 ASP C C 13 175.979 0.400 . 1 . . . . 49 ASP C . 18166 1 549 . 1 1 49 49 ASP H H 1 7.317 0.020 . 1 . . . A 49 ASP H . 18166 1 550 . 1 1 49 49 ASP HA H 1 4.690 0.020 . 1 . . . A 49 ASP HA . 18166 1 551 . 1 1 49 49 ASP HB2 H 1 3.077 0.020 . 2 . . . A 49 ASP HB2 . 18166 1 552 . 1 1 49 49 ASP HB3 H 1 2.431 0.020 . 2 . . . A 49 ASP HB3 . 18166 1 553 . 1 1 49 49 ASP CA C 13 52.878 0.400 . 1 . . . A 49 ASP CA . 18166 1 554 . 1 1 49 49 ASP CB C 13 40.026 0.400 . 1 . . . A 49 ASP CB . 18166 1 555 . 1 1 49 49 ASP N N 15 119.387 0.400 . 1 . . . A 49 ASP N . 18166 1 556 . 1 1 50 50 ALA C C 13 178.973 0.400 . 1 . . . . 50 ALA C . 18166 1 557 . 1 1 50 50 ALA H H 1 8.466 0.020 . 1 . . . A 50 ALA H . 18166 1 558 . 1 1 50 50 ALA HA H 1 4.041 0.020 . 1 . . . A 50 ALA HA . 18166 1 559 . 1 1 50 50 ALA HB1 H 1 1.652 0.020 . 1 . . . A 50 ALA HB1 . 18166 1 560 . 1 1 50 50 ALA HB2 H 1 1.652 0.020 . 1 . . . A 50 ALA HB2 . 18166 1 561 . 1 1 50 50 ALA HB3 H 1 1.652 0.020 . 1 . . . A 50 ALA HB3 . 18166 1 562 . 1 1 50 50 ALA CA C 13 55.564 0.400 . 1 . . . A 50 ALA CA . 18166 1 563 . 1 1 50 50 ALA CB C 13 20.090 0.400 . 1 . . . A 50 ALA CB . 18166 1 564 . 1 1 50 50 ALA N N 15 128.206 0.400 . 1 . . . A 50 ALA N . 18166 1 565 . 1 1 51 51 LYS C C 13 179.319 0.400 . 1 . . . . 51 LYS C . 18166 1 566 . 1 1 51 51 LYS H H 1 7.985 0.020 . 1 . . . A 51 LYS H . 18166 1 567 . 1 1 51 51 LYS HA H 1 3.877 0.020 . 1 . . . A 51 LYS HA . 18166 1 568 . 1 1 51 51 LYS HB2 H 1 1.800 0.020 . 2 . . . A 51 LYS HB2 . 18166 1 569 . 1 1 51 51 LYS HB3 H 1 1.701 0.020 . 2 . . . A 51 LYS HB3 . 18166 1 570 . 1 1 51 51 LYS HG2 H 1 1.150 0.020 . 2 . . . A 51 LYS HG2 . 18166 1 571 . 1 1 51 51 LYS HG3 H 1 1.239 0.020 . 2 . . . A 51 LYS HG3 . 18166 1 572 . 1 1 51 51 LYS HD2 H 1 1.534 0.020 . 2 . . . A 51 LYS HD2 . 18166 1 573 . 1 1 51 51 LYS HD3 H 1 1.538 0.020 . 2 . . . A 51 LYS HD3 . 18166 1 574 . 1 1 51 51 LYS HE2 H 1 2.663 0.020 . 2 . . . A 51 LYS HE2 . 18166 1 575 . 1 1 51 51 LYS HE3 H 1 2.793 0.020 . 2 . . . A 51 LYS HE3 . 18166 1 576 . 1 1 51 51 LYS CA C 13 59.314 0.400 . 1 . . . A 51 LYS CA . 18166 1 577 . 1 1 51 51 LYS CB C 13 31.320 0.400 . 1 . . . A 51 LYS CB . 18166 1 578 . 1 1 51 51 LYS CG C 13 24.900 0.400 . 1 . . . A 51 LYS CG . 18166 1 579 . 1 1 51 51 LYS CD C 13 28.503 0.400 . 1 . . . A 51 LYS CD . 18166 1 580 . 1 1 51 51 LYS CE C 13 41.453 0.400 . 1 . . . A 51 LYS CE . 18166 1 581 . 1 1 51 51 LYS N N 15 113.628 0.400 . 1 . . . A 51 LYS N . 18166 1 582 . 1 1 52 52 LEU C C 13 179.092 0.400 . 1 . . . . 52 LEU C . 18166 1 583 . 1 1 52 52 LEU H H 1 7.323 0.020 . 1 . . . A 52 LEU H . 18166 1 584 . 1 1 52 52 LEU HA H 1 3.672 0.020 . 1 . . . A 52 LEU HA . 18166 1 585 . 1 1 52 52 LEU HB2 H 1 1.685 0.020 . 2 . . . A 52 LEU HB2 . 18166 1 586 . 1 1 52 52 LEU HB3 H 1 1.641 0.020 . 2 . . . A 52 LEU HB3 . 18166 1 587 . 1 1 52 52 LEU HG H 1 0.935 0.020 . 1 . . . A 52 LEU HG . 18166 1 588 . 1 1 52 52 LEU HD11 H 1 0.827 0.020 . 2 . . . A 52 LEU HD11 . 18166 1 589 . 1 1 52 52 LEU HD12 H 1 0.827 0.020 . 2 . . . A 52 LEU HD12 . 18166 1 590 . 1 1 52 52 LEU HD13 H 1 0.827 0.020 . 2 . . . A 52 LEU HD13 . 18166 1 591 . 1 1 52 52 LEU HD21 H 1 0.818 0.020 . 2 . . . A 52 LEU HD21 . 18166 1 592 . 1 1 52 52 LEU HD22 H 1 0.818 0.020 . 2 . . . A 52 LEU HD22 . 18166 1 593 . 1 1 52 52 LEU HD23 H 1 0.818 0.020 . 2 . . . A 52 LEU HD23 . 18166 1 594 . 1 1 52 52 LEU CA C 13 57.278 0.400 . 1 . . . A 52 LEU CA . 18166 1 595 . 1 1 52 52 LEU CB C 13 42.092 0.400 . 1 . . . A 52 LEU CB . 18166 1 596 . 1 1 52 52 LEU CG C 13 26.517 0.400 . 1 . . . A 52 LEU CG . 18166 1 597 . 1 1 52 52 LEU CD1 C 13 22.617 0.400 . 1 . . . A 52 LEU CD1 . 18166 1 598 . 1 1 52 52 LEU CD2 C 13 22.423 0.400 . 1 . . . A 52 LEU CD2 . 18166 1 599 . 1 1 52 52 LEU N N 15 117.207 0.400 . 1 . . . A 52 LEU N . 18166 1 600 . 1 1 53 53 TYR C C 13 178.217 0.400 . 1 . . . . 53 TYR C . 18166 1 601 . 1 1 53 53 TYR H H 1 6.955 0.020 . 1 . . . A 53 TYR H . 18166 1 602 . 1 1 53 53 TYR HA H 1 3.878 0.020 . 1 . . . A 53 TYR HA . 18166 1 603 . 1 1 53 53 TYR HB2 H 1 3.270 0.020 . 2 . . . A 53 TYR HB2 . 18166 1 604 . 1 1 53 53 TYR HB3 H 1 2.767 0.020 . 2 . . . A 53 TYR HB3 . 18166 1 605 . 1 1 53 53 TYR HD1 H 1 7.107 0.020 . 1 . . . A 53 TYR HD1 . 18166 1 606 . 1 1 53 53 TYR HD2 H 1 7.106 0.020 . 1 . . . A 53 TYR HD2 . 18166 1 607 . 1 1 53 53 TYR HE1 H 1 6.607 0.020 . 1 . . . A 53 TYR HE1 . 18166 1 608 . 1 1 53 53 TYR HE2 H 1 6.607 0.020 . 1 . . . A 53 TYR HE2 . 18166 1 609 . 1 1 53 53 TYR CA C 13 61.573 0.400 . 1 . . . A 53 TYR CA . 18166 1 610 . 1 1 53 53 TYR CB C 13 38.147 0.400 . 1 . . . A 53 TYR CB . 18166 1 611 . 1 1 53 53 TYR CD1 C 13 132.493 0.400 . 1 . . . A 53 TYR CD1 . 18166 1 612 . 1 1 53 53 TYR CD2 C 13 132.547 0.400 . 1 . . . A 53 TYR CD2 . 18166 1 613 . 1 1 53 53 TYR CE1 C 13 117.909 0.400 . 1 . . . A 53 TYR CE1 . 18166 1 614 . 1 1 53 53 TYR CE2 C 13 117.932 0.400 . 1 . . . A 53 TYR CE2 . 18166 1 615 . 1 1 53 53 TYR N N 15 116.167 0.400 . 1 . . . A 53 TYR N . 18166 1 616 . 1 1 54 54 SER C C 13 176.841 0.400 . 1 . . . . 54 SER C . 18166 1 617 . 1 1 54 54 SER H H 1 7.661 0.020 . 1 . . . A 54 SER H . 18166 1 618 . 1 1 54 54 SER HA H 1 3.976 0.020 . 1 . . . A 54 SER HA . 18166 1 619 . 1 1 54 54 SER HB2 H 1 4.172 0.020 . 2 . . . A 54 SER HB2 . 18166 1 620 . 1 1 54 54 SER HB3 H 1 4.081 0.020 . 2 . . . A 54 SER HB3 . 18166 1 621 . 1 1 54 54 SER CA C 13 61.200 0.400 . 1 . . . A 54 SER CA . 18166 1 622 . 1 1 54 54 SER CB C 13 62.184 0.400 . 1 . . . A 54 SER CB . 18166 1 623 . 1 1 54 54 SER N N 15 112.799 0.400 . 1 . . . A 54 SER N . 18166 1 624 . 1 1 55 55 ASN C C 13 177.612 0.400 . 1 . . . . 55 ASN C . 18166 1 625 . 1 1 55 55 ASN H H 1 7.729 0.020 . 1 . . . A 55 ASN H . 18166 1 626 . 1 1 55 55 ASN HA H 1 4.099 0.020 . 1 . . . A 55 ASN HA . 18166 1 627 . 1 1 55 55 ASN HB2 H 1 1.855 0.020 . 2 . . . A 55 ASN HB2 . 18166 1 628 . 1 1 55 55 ASN HB3 H 1 1.640 0.020 . 2 . . . A 55 ASN HB3 . 18166 1 629 . 1 1 55 55 ASN HD21 H 1 6.929 0.020 . 2 . . . A 55 ASN HD21 . 18166 1 630 . 1 1 55 55 ASN HD22 H 1 6.294 0.020 . 2 . . . A 55 ASN HD22 . 18166 1 631 . 1 1 55 55 ASN CA C 13 55.241 0.400 . 1 . . . A 55 ASN CA . 18166 1 632 . 1 1 55 55 ASN CB C 13 36.277 0.400 . 1 . . . A 55 ASN CB . 18166 1 633 . 1 1 55 55 ASN N N 15 119.126 0.400 . 1 . . . A 55 ASN N . 18166 1 634 . 1 1 55 55 ASN ND2 N 15 109.863 0.400 . 1 . . . A 55 ASN ND2 . 18166 1 635 . 1 1 56 56 ARG C C 13 178.516 0.400 . 1 . . . . 56 ARG C . 18166 1 636 . 1 1 56 56 ARG H H 1 8.329 0.020 . 1 . . . A 56 ARG H . 18166 1 637 . 1 1 56 56 ARG HA H 1 4.133 0.020 . 1 . . . A 56 ARG HA . 18166 1 638 . 1 1 56 56 ARG HB2 H 1 1.673 0.020 . 2 . . . A 56 ARG HB2 . 18166 1 639 . 1 1 56 56 ARG HB3 H 1 1.611 0.020 . 2 . . . A 56 ARG HB3 . 18166 1 640 . 1 1 56 56 ARG HG2 H 1 1.655 0.020 . 2 . . . A 56 ARG HG2 . 18166 1 641 . 1 1 56 56 ARG HG3 H 1 1.589 0.020 . 2 . . . A 56 ARG HG3 . 18166 1 642 . 1 1 56 56 ARG HD2 H 1 2.873 0.020 . 2 . . . A 56 ARG HD2 . 18166 1 643 . 1 1 56 56 ARG HD3 H 1 2.908 0.020 . 2 . . . A 56 ARG HD3 . 18166 1 644 . 1 1 56 56 ARG CA C 13 61.560 0.400 . 1 . . . A 56 ARG CA . 18166 1 645 . 1 1 56 56 ARG CB C 13 29.069 0.400 . 1 . . . A 56 ARG CB . 18166 1 646 . 1 1 56 56 ARG CG C 13 28.207 0.400 . 1 . . . A 56 ARG CG . 18166 1 647 . 1 1 56 56 ARG CD C 13 39.927 0.400 . 1 . . . A 56 ARG CD . 18166 1 648 . 1 1 56 56 ARG N N 15 122.589 0.400 . 1 . . . A 56 ARG N . 18166 1 649 . 1 1 57 57 ALA C C 13 180.705 0.400 . 1 . . . . 57 ALA C . 18166 1 650 . 1 1 57 57 ALA H H 1 8.857 0.020 . 1 . . . A 57 ALA H . 18166 1 651 . 1 1 57 57 ALA HA H 1 4.260 0.020 . 1 . . . A 57 ALA HA . 18166 1 652 . 1 1 57 57 ALA HB1 H 1 1.695 0.020 . 1 . . . A 57 ALA HB1 . 18166 1 653 . 1 1 57 57 ALA HB2 H 1 1.695 0.020 . 1 . . . A 57 ALA HB2 . 18166 1 654 . 1 1 57 57 ALA HB3 H 1 1.695 0.020 . 1 . . . A 57 ALA HB3 . 18166 1 655 . 1 1 57 57 ALA CA C 13 56.075 0.400 . 1 . . . A 57 ALA CA . 18166 1 656 . 1 1 57 57 ALA CB C 13 19.889 0.400 . 1 . . . A 57 ALA CB . 18166 1 657 . 1 1 57 57 ALA N N 15 122.569 0.400 . 1 . . . A 57 ALA N . 18166 1 658 . 1 1 58 58 ALA C C 13 180.599 0.400 . 1 . . . . 58 ALA C . 18166 1 659 . 1 1 58 58 ALA H H 1 7.574 0.020 . 1 . . . A 58 ALA H . 18166 1 660 . 1 1 58 58 ALA HA H 1 4.083 0.020 . 1 . . . A 58 ALA HA . 18166 1 661 . 1 1 58 58 ALA HB1 H 1 1.513 0.020 . 1 . . . A 58 ALA HB1 . 18166 1 662 . 1 1 58 58 ALA HB2 H 1 1.513 0.020 . 1 . . . A 58 ALA HB2 . 18166 1 663 . 1 1 58 58 ALA HB3 H 1 1.513 0.020 . 1 . . . A 58 ALA HB3 . 18166 1 664 . 1 1 58 58 ALA CA C 13 55.050 0.400 . 1 . . . A 58 ALA CA . 18166 1 665 . 1 1 58 58 ALA CB C 13 17.824 0.400 . 1 . . . A 58 ALA CB . 18166 1 666 . 1 1 58 58 ALA N N 15 120.015 0.400 . 1 . . . A 58 ALA N . 18166 1 667 . 1 1 59 59 CYS C C 13 176.325 0.400 . 1 . . . . 59 CYS C . 18166 1 668 . 1 1 59 59 CYS H H 1 7.523 0.020 . 1 . . . A 59 CYS H . 18166 1 669 . 1 1 59 59 CYS HA H 1 4.062 0.020 . 1 . . . A 59 CYS HA . 18166 1 670 . 1 1 59 59 CYS HB2 H 1 2.712 0.020 . 2 . . . A 59 CYS HB2 . 18166 1 671 . 1 1 59 59 CYS HB3 H 1 3.337 0.020 . 2 . . . A 59 CYS HB3 . 18166 1 672 . 1 1 59 59 CYS CA C 13 63.245 0.400 . 1 . . . A 59 CYS CA . 18166 1 673 . 1 1 59 59 CYS CB C 13 26.827 0.400 . 1 . . . A 59 CYS CB . 18166 1 674 . 1 1 59 59 CYS N N 15 117.074 0.400 . 1 . . . A 59 CYS N . 18166 1 675 . 1 1 60 60 TYR C C 13 177.747 0.400 . 1 . . . . 60 TYR C . 18166 1 676 . 1 1 60 60 TYR H H 1 8.684 0.020 . 1 . . . A 60 TYR H . 18166 1 677 . 1 1 60 60 TYR HA H 1 4.287 0.020 . 1 . . . A 60 TYR HA . 18166 1 678 . 1 1 60 60 TYR HB2 H 1 3.547 0.020 . 2 . . . A 60 TYR HB2 . 18166 1 679 . 1 1 60 60 TYR HB3 H 1 2.710 0.020 . 2 . . . A 60 TYR HB3 . 18166 1 680 . 1 1 60 60 TYR HD1 H 1 6.924 0.020 . 1 . . . A 60 TYR HD1 . 18166 1 681 . 1 1 60 60 TYR HD2 H 1 6.921 0.020 . 1 . . . A 60 TYR HD2 . 18166 1 682 . 1 1 60 60 TYR HE2 H 1 6.848 0.020 . 1 . . . A 60 TYR HE2 . 18166 1 683 . 1 1 60 60 TYR CA C 13 60.904 0.400 . 1 . . . A 60 TYR CA . 18166 1 684 . 1 1 60 60 TYR CB C 13 38.277 0.400 . 1 . . . A 60 TYR CB . 18166 1 685 . 1 1 60 60 TYR CD1 C 13 131.257 0.400 . 1 . . . A 60 TYR CD1 . 18166 1 686 . 1 1 60 60 TYR CD2 C 13 131.301 0.400 . 1 . . . A 60 TYR CD2 . 18166 1 687 . 1 1 60 60 TYR N N 15 118.554 0.400 . 1 . . . A 60 TYR N . 18166 1 688 . 1 1 61 61 THR C C 13 177.887 0.400 . 1 . . . . 61 THR C . 18166 1 689 . 1 1 61 61 THR H H 1 8.572 0.020 . 1 . . . A 61 THR H . 18166 1 690 . 1 1 61 61 THR HA H 1 4.264 0.020 . 1 . . . A 61 THR HA . 18166 1 691 . 1 1 61 61 THR HB H 1 3.615 0.020 . 1 . . . A 61 THR HB . 18166 1 692 . 1 1 61 61 THR HG21 H 1 1.194 0.020 . 1 . . . A 61 THR HG21 . 18166 1 693 . 1 1 61 61 THR HG22 H 1 1.194 0.020 . 1 . . . A 61 THR HG22 . 18166 1 694 . 1 1 61 61 THR HG23 H 1 1.194 0.020 . 1 . . . A 61 THR HG23 . 18166 1 695 . 1 1 61 61 THR CA C 13 67.645 0.400 . 1 . . . A 61 THR CA . 18166 1 696 . 1 1 61 61 THR CB C 13 67.784 0.400 . 1 . . . A 61 THR CB . 18166 1 697 . 1 1 61 61 THR CG2 C 13 21.301 0.400 . 1 . . . A 61 THR CG2 . 18166 1 698 . 1 1 61 61 THR N N 15 116.951 0.400 . 1 . . . A 61 THR N . 18166 1 699 . 1 1 62 62 LYS C C 13 177.792 0.400 . 1 . . . . 62 LYS C . 18166 1 700 . 1 1 62 62 LYS H H 1 7.410 0.020 . 1 . . . A 62 LYS H . 18166 1 701 . 1 1 62 62 LYS HA H 1 3.924 0.020 . 1 . . . A 62 LYS HA . 18166 1 702 . 1 1 62 62 LYS HB2 H 1 1.046 0.020 . 2 . . . A 62 LYS HB2 . 18166 1 703 . 1 1 62 62 LYS HB3 H 1 1.500 0.020 . 2 . . . A 62 LYS HB3 . 18166 1 704 . 1 1 62 62 LYS HG2 H 1 0.462 0.020 . 2 . . . A 62 LYS HG2 . 18166 1 705 . 1 1 62 62 LYS HG3 H 1 1.263 0.020 . 2 . . . A 62 LYS HG3 . 18166 1 706 . 1 1 62 62 LYS HD2 H 1 1.253 0.020 . 2 . . . A 62 LYS HD2 . 18166 1 707 . 1 1 62 62 LYS HD3 H 1 1.521 0.020 . 2 . . . A 62 LYS HD3 . 18166 1 708 . 1 1 62 62 LYS HE2 H 1 2.831 0.020 . 2 . . . A 62 LYS HE2 . 18166 1 709 . 1 1 62 62 LYS HE3 H 1 2.838 0.020 . 2 . . . A 62 LYS HE3 . 18166 1 710 . 1 1 62 62 LYS CA C 13 57.206 0.400 . 1 . . . A 62 LYS CA . 18166 1 711 . 1 1 62 62 LYS CB C 13 30.794 0.400 . 1 . . . A 62 LYS CB . 18166 1 712 . 1 1 62 62 LYS CG C 13 23.972 0.400 . 1 . . . A 62 LYS CG . 18166 1 713 . 1 1 62 62 LYS CD C 13 27.825 0.400 . 1 . . . A 62 LYS CD . 18166 1 714 . 1 1 62 62 LYS CE C 13 41.693 0.400 . 1 . . . A 62 LYS CE . 18166 1 715 . 1 1 62 62 LYS N N 15 122.578 0.400 . 1 . . . A 62 LYS N . 18166 1 716 . 1 1 63 63 LEU C C 13 175.248 0.400 . 1 . . . . 63 LEU C . 18166 1 717 . 1 1 63 63 LEU H H 1 7.397 0.020 . 1 . . . A 63 LEU H . 18166 1 718 . 1 1 63 63 LEU HA H 1 4.216 0.020 . 1 . . . A 63 LEU HA . 18166 1 719 . 1 1 63 63 LEU HB2 H 1 1.823 0.020 . 2 . . . A 63 LEU HB2 . 18166 1 720 . 1 1 63 63 LEU HB3 H 1 1.752 0.020 . 2 . . . A 63 LEU HB3 . 18166 1 721 . 1 1 63 63 LEU HG H 1 1.661 0.020 . 1 . . . A 63 LEU HG . 18166 1 722 . 1 1 63 63 LEU HD11 H 1 0.728 0.020 . 2 . . . A 63 LEU HD11 . 18166 1 723 . 1 1 63 63 LEU HD12 H 1 0.728 0.020 . 2 . . . A 63 LEU HD12 . 18166 1 724 . 1 1 63 63 LEU HD13 H 1 0.728 0.020 . 2 . . . A 63 LEU HD13 . 18166 1 725 . 1 1 63 63 LEU HD21 H 1 0.904 0.020 . 2 . . . A 63 LEU HD21 . 18166 1 726 . 1 1 63 63 LEU HD22 H 1 0.904 0.020 . 2 . . . A 63 LEU HD22 . 18166 1 727 . 1 1 63 63 LEU HD23 H 1 0.904 0.020 . 2 . . . A 63 LEU HD23 . 18166 1 728 . 1 1 63 63 LEU CA C 13 54.045 0.400 . 1 . . . A 63 LEU CA . 18166 1 729 . 1 1 63 63 LEU CB C 13 41.643 0.400 . 1 . . . A 63 LEU CB . 18166 1 730 . 1 1 63 63 LEU CG C 13 26.239 0.400 . 1 . . . A 63 LEU CG . 18166 1 731 . 1 1 63 63 LEU CD1 C 13 24.842 0.400 . 1 . . . A 63 LEU CD1 . 18166 1 732 . 1 1 63 63 LEU CD2 C 13 22.569 0.400 . 1 . . . A 63 LEU CD2 . 18166 1 733 . 1 1 63 63 LEU N N 15 117.404 0.400 . 1 . . . A 63 LEU N . 18166 1 734 . 1 1 64 64 LEU C C 13 176.027 0.400 . 1 . . . . 64 LEU C . 18166 1 735 . 1 1 64 64 LEU H H 1 7.457 0.020 . 1 . . . A 64 LEU H . 18166 1 736 . 1 1 64 64 LEU HA H 1 2.970 0.020 . 1 . . . A 64 LEU HA . 18166 1 737 . 1 1 64 64 LEU HB2 H 1 2.036 0.020 . 2 . . . A 64 LEU HB2 . 18166 1 738 . 1 1 64 64 LEU HB3 H 1 1.356 0.020 . 2 . . . A 64 LEU HB3 . 18166 1 739 . 1 1 64 64 LEU HG H 1 1.352 0.020 . 1 . . . A 64 LEU HG . 18166 1 740 . 1 1 64 64 LEU HD11 H 1 0.939 0.020 . 2 . . . A 64 LEU HD11 . 18166 1 741 . 1 1 64 64 LEU HD12 H 1 0.939 0.020 . 2 . . . A 64 LEU HD12 . 18166 1 742 . 1 1 64 64 LEU HD13 H 1 0.939 0.020 . 2 . . . A 64 LEU HD13 . 18166 1 743 . 1 1 64 64 LEU HD21 H 1 0.973 0.020 . 2 . . . A 64 LEU HD21 . 18166 1 744 . 1 1 64 64 LEU HD22 H 1 0.973 0.020 . 2 . . . A 64 LEU HD22 . 18166 1 745 . 1 1 64 64 LEU HD23 H 1 0.973 0.020 . 2 . . . A 64 LEU HD23 . 18166 1 746 . 1 1 64 64 LEU CA C 13 54.818 0.400 . 1 . . . A 64 LEU CA . 18166 1 747 . 1 1 64 64 LEU CB C 13 37.251 0.400 . 1 . . . A 64 LEU CB . 18166 1 748 . 1 1 64 64 LEU CG C 13 27.069 0.400 . 1 . . . A 64 LEU CG . 18166 1 749 . 1 1 64 64 LEU CD1 C 13 25.203 0.400 . 1 . . . A 64 LEU CD1 . 18166 1 750 . 1 1 64 64 LEU CD2 C 13 23.072 0.400 . 1 . . . A 64 LEU CD2 . 18166 1 751 . 1 1 64 64 LEU N N 15 113.668 0.400 . 1 . . . A 64 LEU N . 18166 1 752 . 1 1 65 65 GLU H H 1 8.085 0.020 . 1 . . . A 65 GLU H . 18166 1 753 . 1 1 65 65 GLU C C 13 177.079 0.400 . 1 . . . . 65 GLU C . 18166 1 754 . 1 1 65 65 GLU HA H 1 4.403 0.020 . 1 . . . A 65 GLU HA . 18166 1 755 . 1 1 65 65 GLU HB2 H 1 1.781 0.020 . 2 . . . A 65 GLU HB2 . 18166 1 756 . 1 1 65 65 GLU HB3 H 1 1.939 0.020 . 2 . . . A 65 GLU HB3 . 18166 1 757 . 1 1 65 65 GLU HG2 H 1 2.139 0.020 . 2 . . . A 65 GLU HG2 . 18166 1 758 . 1 1 65 65 GLU HG3 H 1 2.298 0.020 . 2 . . . A 65 GLU HG3 . 18166 1 759 . 1 1 65 65 GLU CA C 13 53.230 0.400 . 1 . . . A 65 GLU CA . 18166 1 760 . 1 1 65 65 GLU CB C 13 27.090 0.400 . 1 . . . A 65 GLU CB . 18166 1 761 . 1 1 65 65 GLU CG C 13 33.167 0.400 . 1 . . . A 65 GLU CG . 18166 1 762 . 1 1 65 65 GLU N N 15 120.636 0.400 . 1 . . . A 65 GLU N . 18166 1 763 . 1 1 66 66 PHE C C 13 177.639 0.400 . 1 . . . . 66 PHE C . 18166 1 764 . 1 1 66 66 PHE H H 1 6.812 0.020 . 1 . . . A 66 PHE H . 18166 1 765 . 1 1 66 66 PHE HA H 1 4.026 0.020 . 1 . . . A 66 PHE HA . 18166 1 766 . 1 1 66 66 PHE HB2 H 1 3.431 0.020 . 2 . . . A 66 PHE HB2 . 18166 1 767 . 1 1 66 66 PHE HB3 H 1 2.905 0.020 . 2 . . . A 66 PHE HB3 . 18166 1 768 . 1 1 66 66 PHE HD1 H 1 7.175 0.020 . 1 . . . A 66 PHE HD1 . 18166 1 769 . 1 1 66 66 PHE HD2 H 1 7.181 0.020 . 1 . . . A 66 PHE HD2 . 18166 1 770 . 1 1 66 66 PHE HE1 H 1 7.470 0.020 . 1 . . . A 66 PHE HE1 . 18166 1 771 . 1 1 66 66 PHE HE2 H 1 7.482 0.020 . 1 . . . A 66 PHE HE2 . 18166 1 772 . 1 1 66 66 PHE HZ H 1 7.352 0.020 . 1 . . . A 66 PHE HZ . 18166 1 773 . 1 1 66 66 PHE CA C 13 60.989 0.400 . 1 . . . A 66 PHE CA . 18166 1 774 . 1 1 66 66 PHE CB C 13 38.283 0.400 . 1 . . . A 66 PHE CB . 18166 1 775 . 1 1 66 66 PHE CD1 C 13 130.637 0.400 . 1 . . . A 66 PHE CD1 . 18166 1 776 . 1 1 66 66 PHE CD2 C 13 130.629 0.400 . 1 . . . A 66 PHE CD2 . 18166 1 777 . 1 1 66 66 PHE CE1 C 13 131.987 0.400 . 1 . . . A 66 PHE CE1 . 18166 1 778 . 1 1 66 66 PHE CE2 C 13 132.249 0.400 . 1 . . . A 66 PHE CE2 . 18166 1 779 . 1 1 66 66 PHE CZ C 13 130.255 0.400 . 1 . . . A 66 PHE CZ . 18166 1 780 . 1 1 66 66 PHE N N 15 118.292 0.400 . 1 . . . A 66 PHE N . 18166 1 781 . 1 1 67 67 GLN C C 13 179.024 0.400 . 1 . . . . 67 GLN C . 18166 1 782 . 1 1 67 67 GLN H H 1 8.589 0.020 . 1 . . . A 67 GLN H . 18166 1 783 . 1 1 67 67 GLN HA H 1 3.983 0.020 . 1 . . . A 67 GLN HA . 18166 1 784 . 1 1 67 67 GLN HB2 H 1 2.053 0.020 . 2 . . . A 67 GLN HB2 . 18166 1 785 . 1 1 67 67 GLN HB3 H 1 2.049 0.020 . 2 . . . A 67 GLN HB3 . 18166 1 786 . 1 1 67 67 GLN HG2 H 1 2.420 0.020 . 2 . . . A 67 GLN HG2 . 18166 1 787 . 1 1 67 67 GLN HG3 H 1 2.426 0.020 . 2 . . . A 67 GLN HG3 . 18166 1 788 . 1 1 67 67 GLN HE21 H 1 7.586 0.020 . 2 . . . A 67 GLN HE21 . 18166 1 789 . 1 1 67 67 GLN HE22 H 1 6.911 0.020 . 2 . . . A 67 GLN HE22 . 18166 1 790 . 1 1 67 67 GLN CA C 13 58.678 0.400 . 1 . . . A 67 GLN CA . 18166 1 791 . 1 1 67 67 GLN CB C 13 26.844 0.400 . 1 . . . A 67 GLN CB . 18166 1 792 . 1 1 67 67 GLN CG C 13 33.797 0.400 . 1 . . . A 67 GLN CG . 18166 1 793 . 1 1 67 67 GLN N N 15 117.166 0.400 . 1 . . . A 67 GLN N . 18166 1 794 . 1 1 67 67 GLN NE2 N 15 112.221 0.400 . 1 . . . A 67 GLN NE2 . 18166 1 795 . 1 1 68 68 LEU C C 13 180.030 0.400 . 1 . . . . 68 LEU C . 18166 1 796 . 1 1 68 68 LEU H H 1 7.422 0.020 . 1 . . . A 68 LEU H . 18166 1 797 . 1 1 68 68 LEU HA H 1 3.766 0.020 . 1 . . . A 68 LEU HA . 18166 1 798 . 1 1 68 68 LEU HB2 H 1 0.705 0.020 . 2 . . . A 68 LEU HB2 . 18166 1 799 . 1 1 68 68 LEU HB3 H 1 -0.060 0.020 . 2 . . . A 68 LEU HB3 . 18166 1 800 . 1 1 68 68 LEU HG H 1 1.349 0.020 . 1 . . . A 68 LEU HG . 18166 1 801 . 1 1 68 68 LEU HD11 H 1 0.529 0.020 . 1 . . . A 68 LEU HD11 . 18166 1 802 . 1 1 68 68 LEU HD12 H 1 0.529 0.020 . 1 . . . A 68 LEU HD12 . 18166 1 803 . 1 1 68 68 LEU HD13 H 1 0.529 0.020 . 1 . . . A 68 LEU HD13 . 18166 1 804 . 1 1 68 68 LEU HD21 H 1 0.565 0.020 . 1 . . . A 68 LEU HD21 . 18166 1 805 . 1 1 68 68 LEU HD22 H 1 0.565 0.020 . 1 . . . A 68 LEU HD22 . 18166 1 806 . 1 1 68 68 LEU HD23 H 1 0.565 0.020 . 1 . . . A 68 LEU HD23 . 18166 1 807 . 1 1 68 68 LEU CA C 13 57.475 0.400 . 1 . . . A 68 LEU CA . 18166 1 808 . 1 1 68 68 LEU CB C 13 38.020 0.400 . 1 . . . A 68 LEU CB . 18166 1 809 . 1 1 68 68 LEU CG C 13 25.716 0.400 . 1 . . . A 68 LEU CG . 18166 1 810 . 1 1 68 68 LEU CD1 C 13 24.650 0.400 . 1 . . . A 68 LEU CD1 . 18166 1 811 . 1 1 68 68 LEU CD2 C 13 21.314 0.400 . 1 . . . A 68 LEU CD2 . 18166 1 812 . 1 1 68 68 LEU N N 15 119.871 0.400 . 1 . . . A 68 LEU N . 18166 1 813 . 1 1 69 69 ALA C C 13 180.044 0.400 . 1 . . . . 69 ALA C . 18166 1 814 . 1 1 69 69 ALA H H 1 7.871 0.020 . 1 . . . A 69 ALA H . 18166 1 815 . 1 1 69 69 ALA HA H 1 4.133 0.020 . 1 . . . A 69 ALA HA . 18166 1 816 . 1 1 69 69 ALA HB1 H 1 1.559 0.020 . 1 . . . A 69 ALA HB1 . 18166 1 817 . 1 1 69 69 ALA HB2 H 1 1.559 0.020 . 1 . . . A 69 ALA HB2 . 18166 1 818 . 1 1 69 69 ALA HB3 H 1 1.559 0.020 . 1 . . . A 69 ALA HB3 . 18166 1 819 . 1 1 69 69 ALA CA C 13 55.828 0.400 . 1 . . . A 69 ALA CA . 18166 1 820 . 1 1 69 69 ALA CB C 13 18.507 0.400 . 1 . . . A 69 ALA CB . 18166 1 821 . 1 1 69 69 ALA N N 15 121.380 0.400 . 1 . . . A 69 ALA N . 18166 1 822 . 1 1 70 70 LEU C C 13 179.162 0.400 . 1 . . . . 70 LEU C . 18166 1 823 . 1 1 70 70 LEU H H 1 8.519 0.020 . 1 . . . A 70 LEU H . 18166 1 824 . 1 1 70 70 LEU HA H 1 3.814 0.020 . 1 . . . A 70 LEU HA . 18166 1 825 . 1 1 70 70 LEU HB2 H 1 1.846 0.020 . 2 . . . A 70 LEU HB2 . 18166 1 826 . 1 1 70 70 LEU HB3 H 1 1.567 0.020 . 2 . . . A 70 LEU HB3 . 18166 1 827 . 1 1 70 70 LEU HG H 1 1.792 0.020 . 1 . . . A 70 LEU HG . 18166 1 828 . 1 1 70 70 LEU HD11 H 1 0.798 0.020 . 1 . . . A 70 LEU HD11 . 18166 1 829 . 1 1 70 70 LEU HD12 H 1 0.798 0.020 . 1 . . . A 70 LEU HD12 . 18166 1 830 . 1 1 70 70 LEU HD13 H 1 0.798 0.020 . 1 . . . A 70 LEU HD13 . 18166 1 831 . 1 1 70 70 LEU HD21 H 1 0.855 0.020 . 1 . . . A 70 LEU HD21 . 18166 1 832 . 1 1 70 70 LEU HD22 H 1 0.855 0.020 . 1 . . . A 70 LEU HD22 . 18166 1 833 . 1 1 70 70 LEU HD23 H 1 0.855 0.020 . 1 . . . A 70 LEU HD23 . 18166 1 834 . 1 1 70 70 LEU CA C 13 58.579 0.400 . 1 . . . A 70 LEU CA . 18166 1 835 . 1 1 70 70 LEU CB C 13 40.926 0.400 . 1 . . . A 70 LEU CB . 18166 1 836 . 1 1 70 70 LEU CG C 13 27.023 0.400 . 1 . . . A 70 LEU CG . 18166 1 837 . 1 1 70 70 LEU CD1 C 13 25.015 0.400 . 1 . . . A 70 LEU CD1 . 18166 1 838 . 1 1 70 70 LEU CD2 C 13 24.041 0.400 . 1 . . . A 70 LEU CD2 . 18166 1 839 . 1 1 70 70 LEU N N 15 118.569 0.400 . 1 . . . A 70 LEU N . 18166 1 840 . 1 1 71 71 LYS C C 13 179.652 0.400 . 1 . . . . 71 LYS C . 18166 1 841 . 1 1 71 71 LYS H H 1 7.619 0.020 . 1 . . . A 71 LYS H . 18166 1 842 . 1 1 71 71 LYS HA H 1 3.977 0.020 . 1 . . . A 71 LYS HA . 18166 1 843 . 1 1 71 71 LYS HB2 H 1 1.835 0.020 . 2 . . . A 71 LYS HB2 . 18166 1 844 . 1 1 71 71 LYS HB3 H 1 1.953 0.020 . 2 . . . A 71 LYS HB3 . 18166 1 845 . 1 1 71 71 LYS HG2 H 1 1.449 0.020 . 2 . . . A 71 LYS HG2 . 18166 1 846 . 1 1 71 71 LYS HG3 H 1 1.551 0.020 . 2 . . . A 71 LYS HG3 . 18166 1 847 . 1 1 71 71 LYS HD2 H 1 1.627 0.020 . 2 . . . A 71 LYS HD2 . 18166 1 848 . 1 1 71 71 LYS HD3 H 1 1.624 0.020 . 2 . . . A 71 LYS HD3 . 18166 1 849 . 1 1 71 71 LYS HE2 H 1 2.919 0.020 . 2 . . . A 71 LYS HE2 . 18166 1 850 . 1 1 71 71 LYS HE3 H 1 2.907 0.020 . 2 . . . A 71 LYS HE3 . 18166 1 851 . 1 1 71 71 LYS CA C 13 59.195 0.400 . 1 . . . A 71 LYS CA . 18166 1 852 . 1 1 71 71 LYS CG C 13 24.240 0.400 . 1 . . . A 71 LYS CG . 18166 1 853 . 1 1 71 71 LYS CD C 13 28.780 0.400 . 1 . . . A 71 LYS CD . 18166 1 854 . 1 1 71 71 LYS CE C 13 41.780 0.400 . 1 . . . A 71 LYS CE . 18166 1 855 . 1 1 71 71 LYS N N 15 119.700 0.400 . 1 . . . A 71 LYS N . 18166 1 856 . 1 1 72 72 ASP C C 13 179.465 0.400 . 1 . . . . 72 ASP C . 18166 1 857 . 1 1 72 72 ASP H H 1 7.460 0.020 . 1 . . . A 72 ASP H . 18166 1 858 . 1 1 72 72 ASP HA H 1 4.614 0.020 . 1 . . . A 72 ASP HA . 18166 1 859 . 1 1 72 72 ASP HB2 H 1 3.267 0.020 . 2 . . . A 72 ASP HB2 . 18166 1 860 . 1 1 72 72 ASP HB3 H 1 2.890 0.020 . 2 . . . A 72 ASP HB3 . 18166 1 861 . 1 1 72 72 ASP CA C 13 57.293 0.400 . 1 . . . A 72 ASP CA . 18166 1 862 . 1 1 72 72 ASP CB C 13 39.982 0.400 . 1 . . . A 72 ASP CB . 18166 1 863 . 1 1 72 72 ASP N N 15 121.506 0.400 . 1 . . . A 72 ASP N . 18166 1 864 . 1 1 73 73 CYS C C 13 176.340 0.400 . 1 . . . . 73 CYS C . 18166 1 865 . 1 1 73 73 CYS H H 1 8.366 0.020 . 1 . . . A 73 CYS H . 18166 1 866 . 1 1 73 73 CYS HA H 1 3.834 0.020 . 1 . . . A 73 CYS HA . 18166 1 867 . 1 1 73 73 CYS HB2 H 1 2.701 0.020 . 2 . . . A 73 CYS HB2 . 18166 1 868 . 1 1 73 73 CYS HB3 H 1 3.072 0.020 . 2 . . . A 73 CYS HB3 . 18166 1 869 . 1 1 73 73 CYS CA C 13 64.687 0.400 . 1 . . . A 73 CYS CA . 18166 1 870 . 1 1 73 73 CYS CB C 13 26.546 0.400 . 1 . . . A 73 CYS CB . 18166 1 871 . 1 1 73 73 CYS N N 15 118.302 0.400 . 1 . . . A 73 CYS N . 18166 1 872 . 1 1 74 74 GLU C C 13 179.543 0.400 . 1 . . . . 74 GLU C . 18166 1 873 . 1 1 74 74 GLU H H 1 8.244 0.020 . 1 . . . A 74 GLU H . 18166 1 874 . 1 1 74 74 GLU HA H 1 3.901 0.020 . 1 . . . A 74 GLU HA . 18166 1 875 . 1 1 74 74 GLU HB2 H 1 1.979 0.020 . 2 . . . A 74 GLU HB2 . 18166 1 876 . 1 1 74 74 GLU HB3 H 1 1.982 0.020 . 2 . . . A 74 GLU HB3 . 18166 1 877 . 1 1 74 74 GLU HG2 H 1 2.281 0.020 . 2 . . . A 74 GLU HG2 . 18166 1 878 . 1 1 74 74 GLU HG3 H 1 2.348 0.020 . 2 . . . A 74 GLU HG3 . 18166 1 879 . 1 1 74 74 GLU CA C 13 58.213 0.400 . 1 . . . A 74 GLU CA . 18166 1 880 . 1 1 74 74 GLU CB C 13 28.016 0.400 . 1 . . . A 74 GLU CB . 18166 1 881 . 1 1 74 74 GLU CG C 13 34.733 0.400 . 1 . . . A 74 GLU CG . 18166 1 882 . 1 1 74 74 GLU N N 15 117.660 0.400 . 1 . . . A 74 GLU N . 18166 1 883 . 1 1 75 75 GLU C C 13 177.050 0.400 . 1 . . . . 75 GLU C . 18166 1 884 . 1 1 75 75 GLU H H 1 7.394 0.020 . 1 . . . A 75 GLU H . 18166 1 885 . 1 1 75 75 GLU HA H 1 3.893 0.020 . 1 . . . A 75 GLU HA . 18166 1 886 . 1 1 75 75 GLU HB2 H 1 1.784 0.020 . 2 . . . A 75 GLU HB2 . 18166 1 887 . 1 1 75 75 GLU HB3 H 1 1.340 0.020 . 2 . . . A 75 GLU HB3 . 18166 1 888 . 1 1 75 75 GLU HG2 H 1 1.575 0.020 . 2 . . . A 75 GLU HG2 . 18166 1 889 . 1 1 75 75 GLU HG3 H 1 1.457 0.020 . 2 . . . A 75 GLU HG3 . 18166 1 890 . 1 1 75 75 GLU CA C 13 58.149 0.400 . 1 . . . A 75 GLU CA . 18166 1 891 . 1 1 75 75 GLU CB C 13 26.674 0.400 . 1 . . . A 75 GLU CB . 18166 1 892 . 1 1 75 75 GLU CG C 13 30.706 0.400 . 1 . . . A 75 GLU CG . 18166 1 893 . 1 1 75 75 GLU N N 15 119.807 0.400 . 1 . . . A 75 GLU N . 18166 1 894 . 1 1 76 76 CYS C C 13 175.057 0.400 . 1 . . . . 76 CYS C . 18166 1 895 . 1 1 76 76 CYS H H 1 7.852 0.020 . 1 . . . A 76 CYS H . 18166 1 896 . 1 1 76 76 CYS HA H 1 3.841 0.020 . 1 . . . A 76 CYS HA . 18166 1 897 . 1 1 76 76 CYS HB2 H 1 2.763 0.020 . 2 . . . A 76 CYS HB2 . 18166 1 898 . 1 1 76 76 CYS HB3 H 1 3.310 0.020 . 2 . . . A 76 CYS HB3 . 18166 1 899 . 1 1 76 76 CYS CA C 13 64.303 0.400 . 1 . . . A 76 CYS CA . 18166 1 900 . 1 1 76 76 CYS CB C 13 26.371 0.400 . 1 . . . A 76 CYS CB . 18166 1 901 . 1 1 76 76 CYS N N 15 118.342 0.400 . 1 . . . A 76 CYS N . 18166 1 902 . 1 1 77 77 ILE C C 13 177.400 0.400 . 1 . . . . 77 ILE C . 18166 1 903 . 1 1 77 77 ILE H H 1 7.897 0.020 . 1 . . . A 77 ILE H . 18166 1 904 . 1 1 77 77 ILE HA H 1 3.480 0.020 . 1 . . . A 77 ILE HA . 18166 1 905 . 1 1 77 77 ILE HB H 1 1.327 0.020 . 1 . . . A 77 ILE HB . 18166 1 906 . 1 1 77 77 ILE HG12 H 1 0.447 0.020 . 2 . . . A 77 ILE HG12 . 18166 1 907 . 1 1 77 77 ILE HG13 H 1 1.180 0.020 . 2 . . . A 77 ILE HG13 . 18166 1 908 . 1 1 77 77 ILE HG21 H 1 0.711 0.020 . 1 . . . A 77 ILE HG21 . 18166 1 909 . 1 1 77 77 ILE HG22 H 1 0.711 0.020 . 1 . . . A 77 ILE HG22 . 18166 1 910 . 1 1 77 77 ILE HG23 H 1 0.711 0.020 . 1 . . . A 77 ILE HG23 . 18166 1 911 . 1 1 77 77 ILE HD11 H 1 0.218 0.020 . 1 . . . A 77 ILE HD11 . 18166 1 912 . 1 1 77 77 ILE HD12 H 1 0.218 0.020 . 1 . . . A 77 ILE HD12 . 18166 1 913 . 1 1 77 77 ILE HD13 H 1 0.218 0.020 . 1 . . . A 77 ILE HD13 . 18166 1 914 . 1 1 77 77 ILE CA C 13 64.209 0.400 . 1 . . . A 77 ILE CA . 18166 1 915 . 1 1 77 77 ILE CB C 13 38.549 0.400 . 1 . . . A 77 ILE CB . 18166 1 916 . 1 1 77 77 ILE CG1 C 13 28.884 0.400 . 1 . . . A 77 ILE CG1 . 18166 1 917 . 1 1 77 77 ILE CG2 C 13 16.692 0.400 . 1 . . . A 77 ILE CG2 . 18166 1 918 . 1 1 77 77 ILE CD1 C 13 14.032 0.400 . 1 . . . A 77 ILE CD1 . 18166 1 919 . 1 1 77 77 ILE N N 15 117.728 0.400 . 1 . . . A 77 ILE N . 18166 1 920 . 1 1 78 78 GLN C C 13 178.773 0.400 . 1 . . . . 78 GLN C . 18166 1 921 . 1 1 78 78 GLN H H 1 7.655 0.020 . 1 . . . A 78 GLN H . 18166 1 922 . 1 1 78 78 GLN HA H 1 3.905 0.020 . 1 . . . A 78 GLN HA . 18166 1 923 . 1 1 78 78 GLN HB2 H 1 2.003 0.020 . 2 . . . A 78 GLN HB2 . 18166 1 924 . 1 1 78 78 GLN HB3 H 1 2.019 0.020 . 2 . . . A 78 GLN HB3 . 18166 1 925 . 1 1 78 78 GLN HG2 H 1 2.290 0.020 . 2 . . . A 78 GLN HG2 . 18166 1 926 . 1 1 78 78 GLN HG3 H 1 2.383 0.020 . 2 . . . A 78 GLN HG3 . 18166 1 927 . 1 1 78 78 GLN HE21 H 1 7.343 0.020 . 2 . . . A 78 GLN HE21 . 18166 1 928 . 1 1 78 78 GLN HE22 H 1 6.718 0.020 . 2 . . . A 78 GLN HE22 . 18166 1 929 . 1 1 78 78 GLN CA C 13 58.214 0.400 . 1 . . . A 78 GLN CA . 18166 1 930 . 1 1 78 78 GLN CB C 13 28.350 0.400 . 1 . . . A 78 GLN CB . 18166 1 931 . 1 1 78 78 GLN CG C 13 33.522 0.400 . 1 . . . A 78 GLN CG . 18166 1 932 . 1 1 78 78 GLN N N 15 117.037 0.400 . 1 . . . A 78 GLN N . 18166 1 933 . 1 1 78 78 GLN NE2 N 15 111.195 0.400 . 1 . . . A 78 GLN NE2 . 18166 1 934 . 1 1 79 79 LEU C C 13 178.635 0.400 . 1 . . . . 79 LEU C . 18166 1 935 . 1 1 79 79 LEU H H 1 8.021 0.020 . 1 . . . A 79 LEU H . 18166 1 936 . 1 1 79 79 LEU HA H 1 4.095 0.020 . 1 . . . A 79 LEU HA . 18166 1 937 . 1 1 79 79 LEU HB2 H 1 1.929 0.020 . 2 . . . A 79 LEU HB2 . 18166 1 938 . 1 1 79 79 LEU HB3 H 1 1.435 0.020 . 2 . . . A 79 LEU HB3 . 18166 1 939 . 1 1 79 79 LEU HG H 1 1.776 0.020 . 1 . . . A 79 LEU HG . 18166 1 940 . 1 1 79 79 LEU HD11 H 1 0.714 0.020 . 1 . . . A 79 LEU HD11 . 18166 1 941 . 1 1 79 79 LEU HD12 H 1 0.714 0.020 . 1 . . . A 79 LEU HD12 . 18166 1 942 . 1 1 79 79 LEU HD13 H 1 0.714 0.020 . 1 . . . A 79 LEU HD13 . 18166 1 943 . 1 1 79 79 LEU HD21 H 1 0.718 0.020 . 1 . . . A 79 LEU HD21 . 18166 1 944 . 1 1 79 79 LEU HD22 H 1 0.718 0.020 . 1 . . . A 79 LEU HD22 . 18166 1 945 . 1 1 79 79 LEU HD23 H 1 0.718 0.020 . 1 . . . A 79 LEU HD23 . 18166 1 946 . 1 1 79 79 LEU CA C 13 56.515 0.400 . 1 . . . A 79 LEU CA . 18166 1 947 . 1 1 79 79 LEU CB C 13 44.044 0.400 . 1 . . . A 79 LEU CB . 18166 1 948 . 1 1 79 79 LEU CG C 13 26.419 0.400 . 1 . . . A 79 LEU CG . 18166 1 949 . 1 1 79 79 LEU CD1 C 13 26.209 0.400 . 1 . . . A 79 LEU CD1 . 18166 1 950 . 1 1 79 79 LEU CD2 C 13 22.927 0.400 . 1 . . . A 79 LEU CD2 . 18166 1 951 . 1 1 79 79 LEU N N 15 118.180 0.400 . 1 . . . A 79 LEU N . 18166 1 952 . 1 1 80 80 GLU H H 1 8.403 0.020 . 1 . . . A 80 GLU H . 18166 1 953 . 1 1 80 80 GLU HA H 1 4.836 0.020 . 1 . . . A 80 GLU HA . 18166 1 954 . 1 1 80 80 GLU HB2 H 1 1.753 0.020 . 2 . . . A 80 GLU HB2 . 18166 1 955 . 1 1 80 80 GLU HB3 H 1 2.130 0.020 . 2 . . . A 80 GLU HB3 . 18166 1 956 . 1 1 80 80 GLU HG2 H 1 2.216 0.020 . 1 . . . A 80 GLU HG2 . 18166 1 957 . 1 1 80 80 GLU HG3 H 1 2.216 0.020 . 1 . . . A 80 GLU HG3 . 18166 1 958 . 1 1 80 80 GLU CA C 13 53.542 0.400 . 1 . . . A 80 GLU CA . 18166 1 959 . 1 1 80 80 GLU CB C 13 30.779 0.400 . 1 . . . A 80 GLU CB . 18166 1 960 . 1 1 80 80 GLU CG C 13 35.551 0.400 . 1 . . . A 80 GLU CG . 18166 1 961 . 1 1 80 80 GLU N N 15 117.250 0.400 . 1 . . . A 80 GLU N . 18166 1 962 . 1 1 81 81 PRO C C 13 179.009 0.400 . 1 . . . . 81 PRO C . 18166 1 963 . 1 1 81 81 PRO HA H 1 4.866 0.020 . 1 . . . A 81 PRO HA . 18166 1 964 . 1 1 81 81 PRO HB2 H 1 2.586 0.020 . 2 . . . A 81 PRO HB2 . 18166 1 965 . 1 1 81 81 PRO HB3 H 1 2.091 0.020 . 2 . . . A 81 PRO HB3 . 18166 1 966 . 1 1 81 81 PRO HG2 H 1 2.186 0.020 . 2 . . . A 81 PRO HG2 . 18166 1 967 . 1 1 81 81 PRO HG3 H 1 2.014 0.020 . 2 . . . A 81 PRO HG3 . 18166 1 968 . 1 1 81 81 PRO HD2 H 1 3.479 0.020 . 2 . . . A 81 PRO HD2 . 18166 1 969 . 1 1 81 81 PRO HD3 H 1 3.805 0.020 . 2 . . . A 81 PRO HD3 . 18166 1 970 . 1 1 81 81 PRO CA C 13 64.745 0.400 . 1 . . . A 81 PRO CA . 18166 1 971 . 1 1 81 81 PRO CB C 13 31.752 0.400 . 1 . . . A 81 PRO CB . 18166 1 972 . 1 1 81 81 PRO CG C 13 26.815 0.400 . 1 . . . A 81 PRO CG . 18166 1 973 . 1 1 81 81 PRO CD C 13 50.040 0.400 . 1 . . . A 81 PRO CD . 18166 1 974 . 1 1 82 82 THR C C 13 173.603 0.400 . 1 . . . . 82 THR C . 18166 1 975 . 1 1 82 82 THR H H 1 8.129 0.020 . 1 . . . A 82 THR H . 18166 1 976 . 1 1 82 82 THR HA H 1 4.607 0.020 . 1 . . . A 82 THR HA . 18166 1 977 . 1 1 82 82 THR HB H 1 4.679 0.020 . 1 . . . A 82 THR HB . 18166 1 978 . 1 1 82 82 THR HG21 H 1 1.229 0.020 . 1 . . . A 82 THR HG21 . 18166 1 979 . 1 1 82 82 THR HG22 H 1 1.229 0.020 . 1 . . . A 82 THR HG22 . 18166 1 980 . 1 1 82 82 THR HG23 H 1 1.229 0.020 . 1 . . . A 82 THR HG23 . 18166 1 981 . 1 1 82 82 THR CA C 13 61.139 0.400 . 1 . . . A 82 THR CA . 18166 1 982 . 1 1 82 82 THR CB C 13 68.785 0.400 . 1 . . . A 82 THR CB . 18166 1 983 . 1 1 82 82 THR CG2 C 13 21.136 0.400 . 1 . . . A 82 THR CG2 . 18166 1 984 . 1 1 82 82 THR N N 15 107.443 0.400 . 1 . . . A 82 THR N . 18166 1 985 . 1 1 83 83 PHE C C 13 177.359 0.400 . 1 . . . . 83 PHE C . 18166 1 986 . 1 1 83 83 PHE H H 1 8.022 0.020 . 1 . . . A 83 PHE H . 18166 1 987 . 1 1 83 83 PHE HA H 1 5.130 0.020 . 1 . . . A 83 PHE HA . 18166 1 988 . 1 1 83 83 PHE HB2 H 1 3.513 0.020 . 2 . . . A 83 PHE HB2 . 18166 1 989 . 1 1 83 83 PHE HB3 H 1 3.232 0.020 . 2 . . . A 83 PHE HB3 . 18166 1 990 . 1 1 83 83 PHE HD2 H 1 7.346 0.020 . 1 . . . A 83 PHE HD2 . 18166 1 991 . 1 1 83 83 PHE HE2 H 1 7.396 0.020 . 1 . . . A 83 PHE HE2 . 18166 1 992 . 1 1 83 83 PHE CA C 13 55.712 0.400 . 1 . . . A 83 PHE CA . 18166 1 993 . 1 1 83 83 PHE CB C 13 38.263 0.400 . 1 . . . A 83 PHE CB . 18166 1 994 . 1 1 83 83 PHE CD2 C 13 131.330 0.400 . 1 . . . A 83 PHE CD2 . 18166 1 995 . 1 1 83 83 PHE N N 15 123.490 0.400 . 1 . . . A 83 PHE N . 18166 1 996 . 1 1 84 84 ILE C C 13 176.728 0.400 . 1 . . . . 84 ILE C . 18166 1 997 . 1 1 84 84 ILE H H 1 8.955 0.020 . 1 . . . A 84 ILE H . 18166 1 998 . 1 1 84 84 ILE HA H 1 3.950 0.020 . 1 . . . A 84 ILE HA . 18166 1 999 . 1 1 84 84 ILE HB H 1 2.002 0.020 . 1 . . . A 84 ILE HB . 18166 1 1000 . 1 1 84 84 ILE HG12 H 1 1.666 0.020 . 2 . . . A 84 ILE HG12 . 18166 1 1001 . 1 1 84 84 ILE HG13 H 1 1.518 0.020 . 2 . . . A 84 ILE HG13 . 18166 1 1002 . 1 1 84 84 ILE HG21 H 1 1.001 0.020 . 1 . . . A 84 ILE HG21 . 18166 1 1003 . 1 1 84 84 ILE HG22 H 1 1.001 0.020 . 1 . . . A 84 ILE HG22 . 18166 1 1004 . 1 1 84 84 ILE HG23 H 1 1.001 0.020 . 1 . . . A 84 ILE HG23 . 18166 1 1005 . 1 1 84 84 ILE HD11 H 1 1.068 0.020 . 1 . . . A 84 ILE HD11 . 18166 1 1006 . 1 1 84 84 ILE HD12 H 1 1.068 0.020 . 1 . . . A 84 ILE HD12 . 18166 1 1007 . 1 1 84 84 ILE HD13 H 1 1.068 0.020 . 1 . . . A 84 ILE HD13 . 18166 1 1008 . 1 1 84 84 ILE CA C 13 64.230 0.400 . 1 . . . A 84 ILE CA . 18166 1 1009 . 1 1 84 84 ILE CB C 13 37.969 0.400 . 1 . . . A 84 ILE CB . 18166 1 1010 . 1 1 84 84 ILE CG1 C 13 29.082 0.400 . 1 . . . A 84 ILE CG1 . 18166 1 1011 . 1 1 84 84 ILE CG2 C 13 17.486 0.400 . 1 . . . A 84 ILE CG2 . 18166 1 1012 . 1 1 84 84 ILE CD1 C 13 14.851 0.400 . 1 . . . A 84 ILE CD1 . 18166 1 1013 . 1 1 84 84 ILE N N 15 131.837 0.400 . 1 . . . A 84 ILE N . 18166 1 1014 . 1 1 85 85 LYS C C 13 178.351 0.400 . 1 . . . . 85 LYS C . 18166 1 1015 . 1 1 85 85 LYS H H 1 6.000 0.020 . 1 . . . A 85 LYS H . 18166 1 1016 . 1 1 85 85 LYS HA H 1 4.458 0.020 . 1 . . . A 85 LYS HA . 18166 1 1017 . 1 1 85 85 LYS HB2 H 1 1.036 0.020 . 2 . . . A 85 LYS HB2 . 18166 1 1018 . 1 1 85 85 LYS HB3 H 1 1.292 0.020 . 2 . . . A 85 LYS HB3 . 18166 1 1019 . 1 1 85 85 LYS HG2 H 1 1.125 0.020 . 2 . . . A 85 LYS HG2 . 18166 1 1020 . 1 1 85 85 LYS HG3 H 1 1.107 0.020 . 2 . . . A 85 LYS HG3 . 18166 1 1021 . 1 1 85 85 LYS HD2 H 1 1.524 0.020 . 1 . . . A 85 LYS HD2 . 18166 1 1022 . 1 1 85 85 LYS HD3 H 1 1.525 0.020 . 1 . . . A 85 LYS HD3 . 18166 1 1023 . 1 1 85 85 LYS HE2 H 1 2.901 0.020 . 1 . . . A 85 LYS HE2 . 18166 1 1024 . 1 1 85 85 LYS HE3 H 1 2.901 0.020 . 1 . . . A 85 LYS HE3 . 18166 1 1025 . 1 1 85 85 LYS CA C 13 56.336 0.400 . 1 . . . A 85 LYS CA . 18166 1 1026 . 1 1 85 85 LYS CB C 13 31.481 0.400 . 1 . . . A 85 LYS CB . 18166 1 1027 . 1 1 85 85 LYS CG C 13 25.318 0.400 . 1 . . . A 85 LYS CG . 18166 1 1028 . 1 1 85 85 LYS CD C 13 28.351 0.400 . 1 . . . A 85 LYS CD . 18166 1 1029 . 1 1 85 85 LYS CE C 13 41.950 0.400 . 1 . . . A 85 LYS CE . 18166 1 1030 . 1 1 85 85 LYS N N 15 115.465 0.400 . 1 . . . A 85 LYS N . 18166 1 1031 . 1 1 86 86 GLY C C 13 174.466 0.400 . 1 . . . . 86 GLY C . 18166 1 1032 . 1 1 86 86 GLY H H 1 6.966 0.020 . 1 . . . A 86 GLY H . 18166 1 1033 . 1 1 86 86 GLY HA2 H 1 3.823 0.020 . 2 . . . A 86 GLY HA2 . 18166 1 1034 . 1 1 86 86 GLY HA3 H 1 3.508 0.020 . 2 . . . A 86 GLY HA3 . 18166 1 1035 . 1 1 86 86 GLY CA C 13 48.161 0.400 . 1 . . . A 86 GLY CA . 18166 1 1036 . 1 1 86 86 GLY N N 15 103.958 0.400 . 1 . . . A 86 GLY N . 18166 1 1037 . 1 1 87 87 TYR C C 13 178.458 0.400 . 1 . . . . 87 TYR C . 18166 1 1038 . 1 1 87 87 TYR H H 1 6.814 0.020 . 1 . . . A 87 TYR H . 18166 1 1039 . 1 1 87 87 TYR HA H 1 3.940 0.020 . 1 . . . A 87 TYR HA . 18166 1 1040 . 1 1 87 87 TYR HB2 H 1 3.033 0.020 . 2 . . . A 87 TYR HB2 . 18166 1 1041 . 1 1 87 87 TYR HB3 H 1 2.967 0.020 . 2 . . . A 87 TYR HB3 . 18166 1 1042 . 1 1 87 87 TYR HD1 H 1 7.109 0.020 . 1 . . . A 87 TYR HD1 . 18166 1 1043 . 1 1 87 87 TYR HD2 H 1 7.109 0.020 . 1 . . . A 87 TYR HD2 . 18166 1 1044 . 1 1 87 87 TYR HE1 H 1 6.832 0.020 . 1 . . . A 87 TYR HE1 . 18166 1 1045 . 1 1 87 87 TYR HE2 H 1 6.832 0.020 . 1 . . . A 87 TYR HE2 . 18166 1 1046 . 1 1 87 87 TYR CA C 13 60.197 0.400 . 1 . . . A 87 TYR CA . 18166 1 1047 . 1 1 87 87 TYR CB C 13 38.233 0.400 . 1 . . . A 87 TYR CB . 18166 1 1048 . 1 1 87 87 TYR CD1 C 13 132.267 0.400 . 1 . . . A 87 TYR CD1 . 18166 1 1049 . 1 1 87 87 TYR CD2 C 13 132.168 0.400 . 1 . . . A 87 TYR CD2 . 18166 1 1050 . 1 1 87 87 TYR CE1 C 13 118.674 0.400 . 1 . . . A 87 TYR CE1 . 18166 1 1051 . 1 1 87 87 TYR CE2 C 13 118.674 0.400 . 1 . . . A 87 TYR CE2 . 18166 1 1052 . 1 1 87 87 TYR N N 15 115.851 0.400 . 1 . . . A 87 TYR N . 18166 1 1053 . 1 1 88 88 THR C C 13 178.382 0.400 . 1 . . . . 88 THR C . 18166 1 1054 . 1 1 88 88 THR H H 1 8.318 0.020 . 1 . . . A 88 THR H . 18166 1 1055 . 1 1 88 88 THR HA H 1 4.328 0.020 . 1 . . . A 88 THR HA . 18166 1 1056 . 1 1 88 88 THR HB H 1 3.805 0.020 . 1 . . . A 88 THR HB . 18166 1 1057 . 1 1 88 88 THR HG21 H 1 1.206 0.020 . 1 . . . A 88 THR HG21 . 18166 1 1058 . 1 1 88 88 THR HG22 H 1 1.206 0.020 . 1 . . . A 88 THR HG22 . 18166 1 1059 . 1 1 88 88 THR HG23 H 1 1.206 0.020 . 1 . . . A 88 THR HG23 . 18166 1 1060 . 1 1 88 88 THR CA C 13 66.353 0.400 . 1 . . . A 88 THR CA . 18166 1 1061 . 1 1 88 88 THR CB C 13 66.371 0.400 . 1 . . . A 88 THR CB . 18166 1 1062 . 1 1 88 88 THR CG2 C 13 21.440 0.400 . 1 . . . A 88 THR CG2 . 18166 1 1063 . 1 1 88 88 THR N N 15 109.840 0.400 . 1 . . . A 88 THR N . 18166 1 1064 . 1 1 89 89 ARG C C 13 178.728 0.400 . 1 . . . . 89 ARG C . 18166 1 1065 . 1 1 89 89 ARG H H 1 8.320 0.020 . 1 . . . A 89 ARG H . 18166 1 1066 . 1 1 89 89 ARG HA H 1 4.077 0.020 . 1 . . . A 89 ARG HA . 18166 1 1067 . 1 1 89 89 ARG HB2 H 1 2.063 0.020 . 2 . . . A 89 ARG HB2 . 18166 1 1068 . 1 1 89 89 ARG HB3 H 1 2.068 0.020 . 2 . . . A 89 ARG HB3 . 18166 1 1069 . 1 1 89 89 ARG HG2 H 1 1.580 0.020 . 1 . . . A 89 ARG HG2 . 18166 1 1070 . 1 1 89 89 ARG HG3 H 1 1.580 0.020 . 1 . . . A 89 ARG HG3 . 18166 1 1071 . 1 1 89 89 ARG HD2 H 1 3.164 0.020 . 2 . . . A 89 ARG HD2 . 18166 1 1072 . 1 1 89 89 ARG HD3 H 1 3.018 0.020 . 2 . . . A 89 ARG HD3 . 18166 1 1073 . 1 1 89 89 ARG CA C 13 59.029 0.400 . 1 . . . A 89 ARG CA . 18166 1 1074 . 1 1 89 89 ARG CB C 13 29.273 0.400 . 1 . . . A 89 ARG CB . 18166 1 1075 . 1 1 89 89 ARG CG C 13 27.310 0.400 . 1 . . . A 89 ARG CG . 18166 1 1076 . 1 1 89 89 ARG CD C 13 43.100 0.400 . 1 . . . A 89 ARG CD . 18166 1 1077 . 1 1 89 89 ARG N N 15 121.855 0.400 . 1 . . . A 89 ARG N . 18166 1 1078 . 1 1 90 90 LYS C C 13 177.279 0.400 . 1 . . . . 90 LYS C . 18166 1 1079 . 1 1 90 90 LYS H H 1 7.379 0.020 . 1 . . . A 90 LYS H . 18166 1 1080 . 1 1 90 90 LYS HA H 1 3.929 0.020 . 1 . . . A 90 LYS HA . 18166 1 1081 . 1 1 90 90 LYS HB2 H 1 1.790 0.020 . 2 . . . A 90 LYS HB2 . 18166 1 1082 . 1 1 90 90 LYS HB3 H 1 1.780 0.020 . 2 . . . A 90 LYS HB3 . 18166 1 1083 . 1 1 90 90 LYS HG2 H 1 1.380 0.020 . 2 . . . A 90 LYS HG2 . 18166 1 1084 . 1 1 90 90 LYS HG3 H 1 1.370 0.020 . 2 . . . A 90 LYS HG3 . 18166 1 1085 . 1 1 90 90 LYS HD2 H 1 1.610 0.020 . 1 . . . A 90 LYS HD2 . 18166 1 1086 . 1 1 90 90 LYS HD3 H 1 1.610 0.020 . 1 . . . A 90 LYS HD3 . 18166 1 1087 . 1 1 90 90 LYS HE2 H 1 2.930 0.020 . 1 . . . A 90 LYS HE2 . 18166 1 1088 . 1 1 90 90 LYS HE3 H 1 2.930 0.020 . 1 . . . A 90 LYS HE3 . 18166 1 1089 . 1 1 90 90 LYS CA C 13 59.862 0.400 . 1 . . . A 90 LYS CA . 18166 1 1090 . 1 1 90 90 LYS CG C 13 24.910 0.400 . 1 . . . A 90 LYS CG . 18166 1 1091 . 1 1 90 90 LYS CD C 13 28.780 0.400 . 1 . . . A 90 LYS CD . 18166 1 1092 . 1 1 90 90 LYS CE C 13 41.780 0.400 . 1 . . . A 90 LYS CE . 18166 1 1093 . 1 1 90 90 LYS N N 15 124.436 0.400 . 1 . . . A 90 LYS N . 18166 1 1094 . 1 1 91 91 ALA C C 13 178.552 0.400 . 1 . . . . 91 ALA C . 18166 1 1095 . 1 1 91 91 ALA H H 1 8.460 0.020 . 1 . . . A 91 ALA H . 18166 1 1096 . 1 1 91 91 ALA HA H 1 3.492 0.020 . 1 . . . A 91 ALA HA . 18166 1 1097 . 1 1 91 91 ALA HB1 H 1 0.281 0.020 . 1 . . . A 91 ALA HB1 . 18166 1 1098 . 1 1 91 91 ALA HB2 H 1 0.281 0.020 . 1 . . . A 91 ALA HB2 . 18166 1 1099 . 1 1 91 91 ALA HB3 H 1 0.281 0.020 . 1 . . . A 91 ALA HB3 . 18166 1 1100 . 1 1 91 91 ALA CA C 13 55.053 0.400 . 1 . . . A 91 ALA CA . 18166 1 1101 . 1 1 91 91 ALA CB C 13 15.445 0.400 . 1 . . . A 91 ALA CB . 18166 1 1102 . 1 1 91 91 ALA N N 15 121.179 0.400 . 1 . . . A 91 ALA N . 18166 1 1103 . 1 1 92 92 ALA C C 13 181.364 0.400 . 1 . . . . 92 ALA C . 18166 1 1104 . 1 1 92 92 ALA H H 1 7.871 0.020 . 1 . . . A 92 ALA H . 18166 1 1105 . 1 1 92 92 ALA HA H 1 4.124 0.020 . 1 . . . A 92 ALA HA . 18166 1 1106 . 1 1 92 92 ALA HB1 H 1 1.544 0.020 . 1 . . . A 92 ALA HB1 . 18166 1 1107 . 1 1 92 92 ALA HB2 H 1 1.544 0.020 . 1 . . . A 92 ALA HB2 . 18166 1 1108 . 1 1 92 92 ALA HB3 H 1 1.544 0.020 . 1 . . . A 92 ALA HB3 . 18166 1 1109 . 1 1 92 92 ALA CA C 13 54.867 0.400 . 1 . . . A 92 ALA CA . 18166 1 1110 . 1 1 92 92 ALA CB C 13 18.020 0.400 . 1 . . . A 92 ALA CB . 18166 1 1111 . 1 1 92 92 ALA N N 15 118.165 0.400 . 1 . . . A 92 ALA N . 18166 1 1112 . 1 1 93 93 ALA C C 13 178.455 0.400 . 1 . . . . 93 ALA C . 18166 1 1113 . 1 1 93 93 ALA H H 1 7.649 0.020 . 1 . . . A 93 ALA H . 18166 1 1114 . 1 1 93 93 ALA HA H 1 3.990 0.020 . 1 . . . A 93 ALA HA . 18166 1 1115 . 1 1 93 93 ALA HB1 H 1 1.447 0.020 . 1 . . . A 93 ALA HB1 . 18166 1 1116 . 1 1 93 93 ALA HB2 H 1 1.447 0.020 . 1 . . . A 93 ALA HB2 . 18166 1 1117 . 1 1 93 93 ALA HB3 H 1 1.447 0.020 . 1 . . . A 93 ALA HB3 . 18166 1 1118 . 1 1 93 93 ALA CA C 13 55.337 0.400 . 1 . . . A 93 ALA CA . 18166 1 1119 . 1 1 93 93 ALA CB C 13 16.621 0.400 . 1 . . . A 93 ALA CB . 18166 1 1120 . 1 1 93 93 ALA N N 15 123.065 0.400 . 1 . . . A 93 ALA N . 18166 1 1121 . 1 1 94 94 LEU C C 13 178.930 0.400 . 1 . . . . 94 LEU C . 18166 1 1122 . 1 1 94 94 LEU H H 1 7.847 0.020 . 1 . . . A 94 LEU H . 18166 1 1123 . 1 1 94 94 LEU HA H 1 4.116 0.020 . 1 . . . A 94 LEU HA . 18166 1 1124 . 1 1 94 94 LEU HB2 H 1 1.483 0.020 . 2 . . . A 94 LEU HB2 . 18166 1 1125 . 1 1 94 94 LEU HB3 H 1 1.733 0.020 . 2 . . . A 94 LEU HB3 . 18166 1 1126 . 1 1 94 94 LEU HG H 1 1.599 0.020 . 1 . . . A 94 LEU HG . 18166 1 1127 . 1 1 94 94 LEU HD11 H 1 0.589 0.020 . 1 . . . A 94 LEU HD11 . 18166 1 1128 . 1 1 94 94 LEU HD12 H 1 0.589 0.020 . 1 . . . A 94 LEU HD12 . 18166 1 1129 . 1 1 94 94 LEU HD13 H 1 0.589 0.020 . 1 . . . A 94 LEU HD13 . 18166 1 1130 . 1 1 94 94 LEU HD21 H 1 0.867 0.020 . 1 . . . A 94 LEU HD21 . 18166 1 1131 . 1 1 94 94 LEU HD22 H 1 0.867 0.020 . 1 . . . A 94 LEU HD22 . 18166 1 1132 . 1 1 94 94 LEU HD23 H 1 0.867 0.020 . 1 . . . A 94 LEU HD23 . 18166 1 1133 . 1 1 94 94 LEU CA C 13 57.650 0.400 . 1 . . . A 94 LEU CA . 18166 1 1134 . 1 1 94 94 LEU CB C 13 41.802 0.400 . 1 . . . A 94 LEU CB . 18166 1 1135 . 1 1 94 94 LEU CG C 13 28.210 0.400 . 1 . . . A 94 LEU CG . 18166 1 1136 . 1 1 94 94 LEU CD1 C 13 26.405 0.400 . 1 . . . A 94 LEU CD1 . 18166 1 1137 . 1 1 94 94 LEU CD2 C 13 23.562 0.400 . 1 . . . A 94 LEU CD2 . 18166 1 1138 . 1 1 94 94 LEU N N 15 117.762 0.400 . 1 . . . A 94 LEU N . 18166 1 1139 . 1 1 95 95 GLU C C 13 180.280 0.400 . 1 . . . . 95 GLU C . 18166 1 1140 . 1 1 95 95 GLU H H 1 8.971 0.020 . 1 . . . A 95 GLU H . 18166 1 1141 . 1 1 95 95 GLU HA H 1 3.355 0.020 . 1 . . . A 95 GLU HA . 18166 1 1142 . 1 1 95 95 GLU HB2 H 1 2.112 0.020 . 2 . . . A 95 GLU HB2 . 18166 1 1143 . 1 1 95 95 GLU HB3 H 1 2.029 0.020 . 2 . . . A 95 GLU HB3 . 18166 1 1144 . 1 1 95 95 GLU HG2 H 1 2.458 0.020 . 2 . . . A 95 GLU HG2 . 18166 1 1145 . 1 1 95 95 GLU HG3 H 1 2.171 0.020 . 2 . . . A 95 GLU HG3 . 18166 1 1146 . 1 1 95 95 GLU CA C 13 59.128 0.400 . 1 . . . A 95 GLU CA . 18166 1 1147 . 1 1 95 95 GLU CB C 13 29.393 0.400 . 1 . . . A 95 GLU CB . 18166 1 1148 . 1 1 95 95 GLU CG C 13 35.764 0.400 . 1 . . . A 95 GLU CG . 18166 1 1149 . 1 1 95 95 GLU N N 15 121.139 0.400 . 1 . . . A 95 GLU N . 18166 1 1150 . 1 1 96 96 ALA C C 13 178.873 0.400 . 1 . . . . 96 ALA C . 18166 1 1151 . 1 1 96 96 ALA H H 1 7.890 0.020 . 1 . . . A 96 ALA H . 18166 1 1152 . 1 1 96 96 ALA HA H 1 3.951 0.020 . 1 . . . A 96 ALA HA . 18166 1 1153 . 1 1 96 96 ALA HB1 H 1 1.148 0.020 . 1 . . . A 96 ALA HB1 . 18166 1 1154 . 1 1 96 96 ALA HB2 H 1 1.148 0.020 . 1 . . . A 96 ALA HB2 . 18166 1 1155 . 1 1 96 96 ALA HB3 H 1 1.148 0.020 . 1 . . . A 96 ALA HB3 . 18166 1 1156 . 1 1 96 96 ALA CA C 13 54.572 0.400 . 1 . . . A 96 ALA CA . 18166 1 1157 . 1 1 96 96 ALA CB C 13 17.359 0.400 . 1 . . . A 96 ALA CB . 18166 1 1158 . 1 1 96 96 ALA N N 15 124.630 0.400 . 1 . . . A 96 ALA N . 18166 1 1159 . 1 1 97 97 MET C C 13 174.634 0.400 . 1 . . . . 97 MET C . 18166 1 1160 . 1 1 97 97 MET H H 1 7.155 0.020 . 1 . . . A 97 MET H . 18166 1 1161 . 1 1 97 97 MET HA H 1 3.714 0.020 . 1 . . . A 97 MET HA . 18166 1 1162 . 1 1 97 97 MET HB2 H 1 1.928 0.020 . 2 . . . A 97 MET HB2 . 18166 1 1163 . 1 1 97 97 MET HB3 H 1 1.897 0.020 . 2 . . . A 97 MET HB3 . 18166 1 1164 . 1 1 97 97 MET HG2 H 1 2.089 0.020 . 2 . . . A 97 MET HG2 . 18166 1 1165 . 1 1 97 97 MET HG3 H 1 2.052 0.020 . 2 . . . A 97 MET HG3 . 18166 1 1166 . 1 1 97 97 MET HE1 H 1 1.928 0.020 . 1 . . . A 97 MET HE1 . 18166 1 1167 . 1 1 97 97 MET HE2 H 1 1.928 0.020 . 1 . . . A 97 MET HE2 . 18166 1 1168 . 1 1 97 97 MET HE3 H 1 1.928 0.020 . 1 . . . A 97 MET HE3 . 18166 1 1169 . 1 1 97 97 MET CA C 13 56.071 0.400 . 1 . . . A 97 MET CA . 18166 1 1170 . 1 1 97 97 MET CB C 13 33.654 0.400 . 1 . . . A 97 MET CB . 18166 1 1171 . 1 1 97 97 MET CG C 13 31.666 0.400 . 1 . . . A 97 MET CG . 18166 1 1172 . 1 1 97 97 MET CE C 13 16.070 0.400 . 1 . . . A 97 MET CE . 18166 1 1173 . 1 1 97 97 MET N N 15 115.484 0.400 . 1 . . . A 97 MET N . 18166 1 1174 . 1 1 98 98 LYS C C 13 174.714 0.400 . 1 . . . . 98 LYS C . 18166 1 1175 . 1 1 98 98 LYS H H 1 7.597 0.020 . 1 . . . A 98 LYS H . 18166 1 1176 . 1 1 98 98 LYS HA H 1 2.730 0.020 . 1 . . . A 98 LYS HA . 18166 1 1177 . 1 1 98 98 LYS HB2 H 1 1.708 0.020 . 2 . . . A 98 LYS HB2 . 18166 1 1178 . 1 1 98 98 LYS HB3 H 1 2.049 0.020 . 2 . . . A 98 LYS HB3 . 18166 1 1179 . 1 1 98 98 LYS HG2 H 1 1.209 0.020 . 2 . . . A 98 LYS HG2 . 18166 1 1180 . 1 1 98 98 LYS HG3 H 1 1.171 0.020 . 2 . . . A 98 LYS HG3 . 18166 1 1181 . 1 1 98 98 LYS HD2 H 1 1.694 0.020 . 2 . . . A 98 LYS HD2 . 18166 1 1182 . 1 1 98 98 LYS HD3 H 1 1.722 0.020 . 2 . . . A 98 LYS HD3 . 18166 1 1183 . 1 1 98 98 LYS HE2 H 1 3.032 0.020 . 2 . . . A 98 LYS HE2 . 18166 1 1184 . 1 1 98 98 LYS HE3 H 1 3.034 0.020 . 2 . . . A 98 LYS HE3 . 18166 1 1185 . 1 1 98 98 LYS CA C 13 56.752 0.400 . 1 . . . A 98 LYS CA . 18166 1 1186 . 1 1 98 98 LYS CB C 13 28.120 0.400 . 1 . . . A 98 LYS CB . 18166 1 1187 . 1 1 98 98 LYS CG C 13 24.910 0.400 . 1 . . . A 98 LYS CG . 18166 1 1188 . 1 1 98 98 LYS CD C 13 28.952 0.400 . 1 . . . A 98 LYS CD . 18166 1 1189 . 1 1 98 98 LYS CE C 13 42.150 0.400 . 1 . . . A 98 LYS CE . 18166 1 1190 . 1 1 98 98 LYS N N 15 112.882 0.400 . 1 . . . A 98 LYS N . 18166 1 1191 . 1 1 99 99 ASP C C 13 176.366 0.400 . 1 . . . . 99 ASP C . 18166 1 1192 . 1 1 99 99 ASP H H 1 7.888 0.020 . 1 . . . A 99 ASP H . 18166 1 1193 . 1 1 99 99 ASP HA H 1 4.837 0.020 . 1 . . . A 99 ASP HA . 18166 1 1194 . 1 1 99 99 ASP HB2 H 1 2.181 0.020 . 2 . . . A 99 ASP HB2 . 18166 1 1195 . 1 1 99 99 ASP HB3 H 1 2.826 0.020 . 2 . . . A 99 ASP HB3 . 18166 1 1196 . 1 1 99 99 ASP CA C 13 50.762 0.400 . 1 . . . A 99 ASP CA . 18166 1 1197 . 1 1 99 99 ASP CB C 13 37.679 0.400 . 1 . . . A 99 ASP CB . 18166 1 1198 . 1 1 99 99 ASP N N 15 120.642 0.400 . 1 . . . A 99 ASP N . 18166 1 1199 . 1 1 100 100 TYR C C 13 177.963 0.400 . 1 . . . . 100 TYR C . 18166 1 1200 . 1 1 100 100 TYR H H 1 6.984 0.020 . 1 . . . A 100 TYR H . 18166 1 1201 . 1 1 100 100 TYR HA H 1 3.945 0.020 . 1 . . . A 100 TYR HA . 18166 1 1202 . 1 1 100 100 TYR HB2 H 1 2.790 0.020 . 2 . . . A 100 TYR HB2 . 18166 1 1203 . 1 1 100 100 TYR HB3 H 1 3.062 0.020 . 2 . . . A 100 TYR HB3 . 18166 1 1204 . 1 1 100 100 TYR HD1 H 1 7.136 0.020 . 1 . . . A 100 TYR HD1 . 18166 1 1205 . 1 1 100 100 TYR HD2 H 1 7.133 0.020 . 1 . . . A 100 TYR HD2 . 18166 1 1206 . 1 1 100 100 TYR HE1 H 1 6.889 0.020 . 1 . . . A 100 TYR HE1 . 18166 1 1207 . 1 1 100 100 TYR HE2 H 1 6.907 0.020 . 1 . . . A 100 TYR HE2 . 18166 1 1208 . 1 1 100 100 TYR CA C 13 61.934 0.400 . 1 . . . A 100 TYR CA . 18166 1 1209 . 1 1 100 100 TYR CB C 13 37.639 0.400 . 1 . . . A 100 TYR CB . 18166 1 1210 . 1 1 100 100 TYR CD1 C 13 132.012 0.400 . 1 . . . A 100 TYR CD1 . 18166 1 1211 . 1 1 100 100 TYR CD2 C 13 132.356 0.400 . 1 . . . A 100 TYR CD2 . 18166 1 1212 . 1 1 100 100 TYR CE1 C 13 118.621 0.400 . 1 . . . A 100 TYR CE1 . 18166 1 1213 . 1 1 100 100 TYR CE2 C 13 118.861 0.400 . 1 . . . A 100 TYR CE2 . 18166 1 1214 . 1 1 100 100 TYR N N 15 117.948 0.400 . 1 . . . A 100 TYR N . 18166 1 1215 . 1 1 101 101 THR C C 13 176.781 0.400 . 1 . . . . 101 THR C . 18166 1 1216 . 1 1 101 101 THR H H 1 8.543 0.020 . 1 . . . A 101 THR H . 18166 1 1217 . 1 1 101 101 THR HA H 1 4.008 0.020 . 1 . . . A 101 THR HA . 18166 1 1218 . 1 1 101 101 THR HB H 1 4.147 0.020 . 1 . . . A 101 THR HB . 18166 1 1219 . 1 1 101 101 THR HG21 H 1 1.234 0.020 . 1 . . . A 101 THR HG21 . 18166 1 1220 . 1 1 101 101 THR HG22 H 1 1.234 0.020 . 1 . . . A 101 THR HG22 . 18166 1 1221 . 1 1 101 101 THR HG23 H 1 1.234 0.020 . 1 . . . A 101 THR HG23 . 18166 1 1222 . 1 1 101 101 THR CA C 13 65.857 0.400 . 1 . . . A 101 THR CA . 18166 1 1223 . 1 1 101 101 THR CB C 13 67.689 0.400 . 1 . . . A 101 THR CB . 18166 1 1224 . 1 1 101 101 THR CG2 C 13 21.458 0.400 . 1 . . . A 101 THR CG2 . 18166 1 1225 . 1 1 101 101 THR N N 15 113.752 0.400 . 1 . . . A 101 THR N . 18166 1 1226 . 1 1 102 102 LYS C C 13 179.232 0.400 . 1 . . . . 102 LYS C . 18166 1 1227 . 1 1 102 102 LYS H H 1 7.348 0.020 . 1 . . . A 102 LYS H . 18166 1 1228 . 1 1 102 102 LYS HA H 1 4.142 0.020 . 1 . . . A 102 LYS HA . 18166 1 1229 . 1 1 102 102 LYS HB2 H 1 1.675 0.020 . 2 . . . A 102 LYS HB2 . 18166 1 1230 . 1 1 102 102 LYS HB3 H 1 1.603 0.020 . 2 . . . A 102 LYS HB3 . 18166 1 1231 . 1 1 102 102 LYS HG2 H 1 1.338 0.020 . 2 . . . A 102 LYS HG2 . 18166 1 1232 . 1 1 102 102 LYS HG3 H 1 1.597 0.020 . 2 . . . A 102 LYS HG3 . 18166 1 1233 . 1 1 102 102 LYS HD2 H 1 1.654 0.020 . 1 . . . A 102 LYS HD2 . 18166 1 1234 . 1 1 102 102 LYS HD3 H 1 1.654 0.020 . 1 . . . A 102 LYS HD3 . 18166 1 1235 . 1 1 102 102 LYS HE2 H 1 2.905 0.020 . 1 . . . A 102 LYS HE2 . 18166 1 1236 . 1 1 102 102 LYS HE3 H 1 2.905 0.020 . 1 . . . A 102 LYS HE3 . 18166 1 1237 . 1 1 102 102 LYS CA C 13 59.086 0.400 . 1 . . . A 102 LYS CA . 18166 1 1238 . 1 1 102 102 LYS CB C 13 32.179 0.400 . 1 . . . A 102 LYS CB . 18166 1 1239 . 1 1 102 102 LYS CG C 13 25.632 0.400 . 1 . . . A 102 LYS CG . 18166 1 1240 . 1 1 102 102 LYS CD C 13 28.973 0.400 . 1 . . . A 102 LYS CD . 18166 1 1241 . 1 1 102 102 LYS CE C 13 41.716 0.400 . 1 . . . A 102 LYS CE . 18166 1 1242 . 1 1 102 102 LYS N N 15 120.641 0.400 . 1 . . . A 102 LYS N . 18166 1 1243 . 1 1 103 103 ALA C C 13 179.005 0.400 . 1 . . . . 103 ALA C . 18166 1 1244 . 1 1 103 103 ALA H H 1 8.344 0.020 . 1 . . . A 103 ALA H . 18166 1 1245 . 1 1 103 103 ALA HA H 1 3.665 0.020 . 1 . . . A 103 ALA HA . 18166 1 1246 . 1 1 103 103 ALA HB1 H 1 1.486 0.020 . 1 . . . A 103 ALA HB1 . 18166 1 1247 . 1 1 103 103 ALA HB2 H 1 1.486 0.020 . 1 . . . A 103 ALA HB2 . 18166 1 1248 . 1 1 103 103 ALA HB3 H 1 1.486 0.020 . 1 . . . A 103 ALA HB3 . 18166 1 1249 . 1 1 103 103 ALA CA C 13 55.656 0.400 . 1 . . . A 103 ALA CA . 18166 1 1250 . 1 1 103 103 ALA CB C 13 18.889 0.400 . 1 . . . A 103 ALA CB . 18166 1 1251 . 1 1 103 103 ALA N N 15 120.302 0.400 . 1 . . . A 103 ALA N . 18166 1 1252 . 1 1 104 104 MET C C 13 177.400 0.400 . 1 . . . . 104 MET C . 18166 1 1253 . 1 1 104 104 MET H H 1 8.375 0.020 . 1 . . . A 104 MET H . 18166 1 1254 . 1 1 104 104 MET HA H 1 3.939 0.020 . 1 . . . A 104 MET HA . 18166 1 1255 . 1 1 104 104 MET HB2 H 1 2.278 0.020 . 2 . . . A 104 MET HB2 . 18166 1 1256 . 1 1 104 104 MET HB3 H 1 2.216 0.020 . 2 . . . A 104 MET HB3 . 18166 1 1257 . 1 1 104 104 MET HG2 H 1 2.408 0.020 . 2 . . . A 104 MET HG2 . 18166 1 1258 . 1 1 104 104 MET HG3 H 1 2.063 0.020 . 2 . . . A 104 MET HG3 . 18166 1 1259 . 1 1 104 104 MET HE1 H 1 1.841 0.020 . 1 . . . A 104 MET HE1 . 18166 1 1260 . 1 1 104 104 MET HE2 H 1 1.841 0.020 . 1 . . . A 104 MET HE2 . 18166 1 1261 . 1 1 104 104 MET HE3 H 1 1.841 0.020 . 1 . . . A 104 MET HE3 . 18166 1 1262 . 1 1 104 104 MET CA C 13 61.020 0.400 . 1 . . . A 104 MET CA . 18166 1 1263 . 1 1 104 104 MET CB C 13 33.904 0.400 . 1 . . . A 104 MET CB . 18166 1 1264 . 1 1 104 104 MET CG C 13 32.771 0.400 . 1 . . . A 104 MET CG . 18166 1 1265 . 1 1 104 104 MET CE C 13 16.487 0.400 . 1 . . . A 104 MET CE . 18166 1 1266 . 1 1 104 104 MET N N 15 116.430 0.400 . 1 . . . A 104 MET N . 18166 1 1267 . 1 1 105 105 ASP C C 13 178.536 0.400 . 1 . . . . 105 ASP C . 18166 1 1268 . 1 1 105 105 ASP H H 1 7.319 0.020 . 1 . . . A 105 ASP H . 18166 1 1269 . 1 1 105 105 ASP HA H 1 4.510 0.020 . 1 . . . A 105 ASP HA . 18166 1 1270 . 1 1 105 105 ASP HB2 H 1 2.892 0.020 . 2 . . . A 105 ASP HB2 . 18166 1 1271 . 1 1 105 105 ASP HB3 H 1 2.782 0.020 . 2 . . . A 105 ASP HB3 . 18166 1 1272 . 1 1 105 105 ASP CA C 13 57.113 0.400 . 1 . . . A 105 ASP CA . 18166 1 1273 . 1 1 105 105 ASP CB C 13 40.209 0.400 . 1 . . . A 105 ASP CB . 18166 1 1274 . 1 1 105 105 ASP N N 15 117.449 0.400 . 1 . . . A 105 ASP N . 18166 1 1275 . 1 1 106 106 VAL C C 13 178.449 0.400 . 1 . . . . 106 VAL C . 18166 1 1276 . 1 1 106 106 VAL H H 1 7.825 0.020 . 1 . . . A 106 VAL H . 18166 1 1277 . 1 1 106 106 VAL HA H 1 3.750 0.020 . 1 . . . A 106 VAL HA . 18166 1 1278 . 1 1 106 106 VAL HB H 1 1.829 0.020 . 1 . . . A 106 VAL HB . 18166 1 1279 . 1 1 106 106 VAL HG11 H 1 1.122 0.020 . 1 . . . A 106 VAL HG11 . 18166 1 1280 . 1 1 106 106 VAL HG12 H 1 1.122 0.020 . 1 . . . A 106 VAL HG12 . 18166 1 1281 . 1 1 106 106 VAL HG13 H 1 1.122 0.020 . 1 . . . A 106 VAL HG13 . 18166 1 1282 . 1 1 106 106 VAL HG21 H 1 0.968 0.020 . 1 . . . A 106 VAL HG21 . 18166 1 1283 . 1 1 106 106 VAL HG22 H 1 0.968 0.020 . 1 . . . A 106 VAL HG22 . 18166 1 1284 . 1 1 106 106 VAL HG23 H 1 0.968 0.020 . 1 . . . A 106 VAL HG23 . 18166 1 1285 . 1 1 106 106 VAL CA C 13 65.980 0.400 . 1 . . . A 106 VAL CA . 18166 1 1286 . 1 1 106 106 VAL CB C 13 30.761 0.400 . 1 . . . A 106 VAL CB . 18166 1 1287 . 1 1 106 106 VAL CG1 C 13 24.640 0.400 . 1 . . . A 106 VAL CG1 . 18166 1 1288 . 1 1 106 106 VAL CG2 C 13 22.713 0.400 . 1 . . . A 106 VAL CG2 . 18166 1 1289 . 1 1 106 106 VAL N N 15 121.168 0.400 . 1 . . . A 106 VAL N . 18166 1 1290 . 1 1 107 107 TYR C C 13 178.734 0.400 . 1 . . . . 107 TYR C . 18166 1 1291 . 1 1 107 107 TYR H H 1 9.215 0.020 . 1 . . . A 107 TYR H . 18166 1 1292 . 1 1 107 107 TYR HA H 1 4.271 0.020 . 1 . . . A 107 TYR HA . 18166 1 1293 . 1 1 107 107 TYR HB2 H 1 3.414 0.020 . 2 . . . A 107 TYR HB2 . 18166 1 1294 . 1 1 107 107 TYR HB3 H 1 3.079 0.020 . 2 . . . A 107 TYR HB3 . 18166 1 1295 . 1 1 107 107 TYR HD1 H 1 6.769 0.020 . 1 . . . A 107 TYR HD1 . 18166 1 1296 . 1 1 107 107 TYR HD2 H 1 6.767 0.020 . 1 . . . A 107 TYR HD2 . 18166 1 1297 . 1 1 107 107 TYR HE1 H 1 7.164 0.020 . 1 . . . A 107 TYR HE1 . 18166 1 1298 . 1 1 107 107 TYR HE2 H 1 7.164 0.020 . 1 . . . A 107 TYR HE2 . 18166 1 1299 . 1 1 107 107 TYR CA C 13 62.453 0.400 . 1 . . . A 107 TYR CA . 18166 1 1300 . 1 1 107 107 TYR CB C 13 38.154 0.400 . 1 . . . A 107 TYR CB . 18166 1 1301 . 1 1 107 107 TYR CD1 C 13 132.260 0.400 . 1 . . . A 107 TYR CD1 . 18166 1 1302 . 1 1 107 107 TYR CD2 C 13 132.559 0.400 . 1 . . . A 107 TYR CD2 . 18166 1 1303 . 1 1 107 107 TYR N N 15 120.714 0.400 . 1 . . . A 107 TYR N . 18166 1 1304 . 1 1 108 108 GLN C C 13 177.393 0.400 . 1 . . . . 108 GLN C . 18166 1 1305 . 1 1 108 108 GLN H H 1 8.605 0.020 . 1 . . . A 108 GLN H . 18166 1 1306 . 1 1 108 108 GLN HA H 1 3.833 0.020 . 1 . . . A 108 GLN HA . 18166 1 1307 . 1 1 108 108 GLN HB2 H 1 2.268 0.020 . 2 . . . A 108 GLN HB2 . 18166 1 1308 . 1 1 108 108 GLN HB3 H 1 2.301 0.020 . 2 . . . A 108 GLN HB3 . 18166 1 1309 . 1 1 108 108 GLN HG2 H 1 2.216 0.020 . 2 . . . A 108 GLN HG2 . 18166 1 1310 . 1 1 108 108 GLN HG3 H 1 2.233 0.020 . 2 . . . A 108 GLN HG3 . 18166 1 1311 . 1 1 108 108 GLN HE21 H 1 6.976 0.020 . 2 . . . A 108 GLN HE21 . 18166 1 1312 . 1 1 108 108 GLN HE22 H 1 6.694 0.020 . 2 . . . A 108 GLN HE22 . 18166 1 1313 . 1 1 108 108 GLN CA C 13 58.702 0.400 . 1 . . . A 108 GLN CA . 18166 1 1314 . 1 1 108 108 GLN CB C 13 28.245 0.400 . 1 . . . A 108 GLN CB . 18166 1 1315 . 1 1 108 108 GLN CG C 13 34.000 0.400 . 1 . . . A 108 GLN CG . 18166 1 1316 . 1 1 108 108 GLN N N 15 117.293 0.400 . 1 . . . A 108 GLN N . 18166 1 1317 . 1 1 108 108 GLN NE2 N 15 113.777 0.400 . 1 . . . A 108 GLN NE2 . 18166 1 1318 . 1 1 109 109 LYS C C 13 178.996 0.400 . 1 . . . . 109 LYS C . 18166 1 1319 . 1 1 109 109 LYS H H 1 7.571 0.020 . 1 . . . A 109 LYS H . 18166 1 1320 . 1 1 109 109 LYS HA H 1 4.002 0.020 . 1 . . . A 109 LYS HA . 18166 1 1321 . 1 1 109 109 LYS HB2 H 1 1.922 0.020 . 2 . . . A 109 LYS HB2 . 18166 1 1322 . 1 1 109 109 LYS HB3 H 1 1.700 0.020 . 2 . . . A 109 LYS HB3 . 18166 1 1323 . 1 1 109 109 LYS HG2 H 1 1.310 0.020 . 2 . . . A 109 LYS HG2 . 18166 1 1324 . 1 1 109 109 LYS HG3 H 1 1.156 0.020 . 2 . . . A 109 LYS HG3 . 18166 1 1325 . 1 1 109 109 LYS HD2 H 1 1.583 0.020 . 2 . . . A 109 LYS HD2 . 18166 1 1326 . 1 1 109 109 LYS HD3 H 1 1.655 0.020 . 2 . . . A 109 LYS HD3 . 18166 1 1327 . 1 1 109 109 LYS HE2 H 1 2.765 0.020 . 2 . . . A 109 LYS HE2 . 18166 1 1328 . 1 1 109 109 LYS HE3 H 1 2.862 0.020 . 2 . . . A 109 LYS HE3 . 18166 1 1329 . 1 1 109 109 LYS CA C 13 58.537 0.400 . 1 . . . A 109 LYS CA . 18166 1 1330 . 1 1 109 109 LYS CB C 13 31.022 0.400 . 1 . . . A 109 LYS CB . 18166 1 1331 . 1 1 109 109 LYS CG C 13 24.313 0.400 . 1 . . . A 109 LYS CG . 18166 1 1332 . 1 1 109 109 LYS CD C 13 28.273 0.400 . 1 . . . A 109 LYS CD . 18166 1 1333 . 1 1 109 109 LYS CE C 13 41.903 0.400 . 1 . . . A 109 LYS CE . 18166 1 1334 . 1 1 109 109 LYS N N 15 120.342 0.400 . 1 . . . A 109 LYS N . 18166 1 1335 . 1 1 110 110 ALA C C 13 178.439 0.400 . 1 . . . . 110 ALA C . 18166 1 1336 . 1 1 110 110 ALA H H 1 7.693 0.020 . 1 . . . A 110 ALA H . 18166 1 1337 . 1 1 110 110 ALA HA H 1 3.779 0.020 . 1 . . . A 110 ALA HA . 18166 1 1338 . 1 1 110 110 ALA HB1 H 1 1.516 0.020 . 1 . . . A 110 ALA HB1 . 18166 1 1339 . 1 1 110 110 ALA HB2 H 1 1.516 0.020 . 1 . . . A 110 ALA HB2 . 18166 1 1340 . 1 1 110 110 ALA HB3 H 1 1.516 0.020 . 1 . . . A 110 ALA HB3 . 18166 1 1341 . 1 1 110 110 ALA CA C 13 55.052 0.400 . 1 . . . A 110 ALA CA . 18166 1 1342 . 1 1 110 110 ALA CB C 13 17.688 0.400 . 1 . . . A 110 ALA CB . 18166 1 1343 . 1 1 110 110 ALA N N 15 119.851 0.400 . 1 . . . A 110 ALA N . 18166 1 1344 . 1 1 111 111 LEU C C 13 178.989 0.400 . 1 . . . . 111 LEU C . 18166 1 1345 . 1 1 111 111 LEU H H 1 7.811 0.020 . 1 . . . A 111 LEU H . 18166 1 1346 . 1 1 111 111 LEU HA H 1 4.077 0.020 . 1 . . . A 111 LEU HA . 18166 1 1347 . 1 1 111 111 LEU HB2 H 1 1.718 0.020 . 2 . . . A 111 LEU HB2 . 18166 1 1348 . 1 1 111 111 LEU HB3 H 1 1.276 0.020 . 2 . . . A 111 LEU HB3 . 18166 1 1349 . 1 1 111 111 LEU HG H 1 1.542 0.020 . 1 . . . A 111 LEU HG . 18166 1 1350 . 1 1 111 111 LEU HD11 H 1 0.542 0.020 . 1 . . . A 111 LEU HD11 . 18166 1 1351 . 1 1 111 111 LEU HD12 H 1 0.542 0.020 . 1 . . . A 111 LEU HD12 . 18166 1 1352 . 1 1 111 111 LEU HD13 H 1 0.542 0.020 . 1 . . . A 111 LEU HD13 . 18166 1 1353 . 1 1 111 111 LEU HD21 H 1 0.813 0.020 . 1 . . . A 111 LEU HD21 . 18166 1 1354 . 1 1 111 111 LEU HD22 H 1 0.813 0.020 . 1 . . . A 111 LEU HD22 . 18166 1 1355 . 1 1 111 111 LEU HD23 H 1 0.813 0.020 . 1 . . . A 111 LEU HD23 . 18166 1 1356 . 1 1 111 111 LEU CA C 13 56.211 0.400 . 1 . . . A 111 LEU CA . 18166 1 1357 . 1 1 111 111 LEU CB C 13 41.809 0.400 . 1 . . . A 111 LEU CB . 18166 1 1358 . 1 1 111 111 LEU CG C 13 26.542 0.400 . 1 . . . A 111 LEU CG . 18166 1 1359 . 1 1 111 111 LEU CD1 C 13 24.449 0.400 . 1 . . . A 111 LEU CD1 . 18166 1 1360 . 1 1 111 111 LEU CD2 C 13 23.267 0.400 . 1 . . . A 111 LEU CD2 . 18166 1 1361 . 1 1 111 111 LEU N N 15 117.859 0.400 . 1 . . . A 111 LEU N . 18166 1 1362 . 1 1 112 112 ASP C C 13 178.266 0.400 . 1 . . . . 112 ASP C . 18166 1 1363 . 1 1 112 112 ASP H H 1 8.099 0.020 . 1 . . . A 112 ASP H . 18166 1 1364 . 1 1 112 112 ASP HA H 1 4.251 0.020 . 1 . . . A 112 ASP HA . 18166 1 1365 . 1 1 112 112 ASP HB2 H 1 2.864 0.020 . 2 . . . A 112 ASP HB2 . 18166 1 1366 . 1 1 112 112 ASP HB3 H 1 2.626 0.020 . 2 . . . A 112 ASP HB3 . 18166 1 1367 . 1 1 112 112 ASP CA C 13 55.762 0.400 . 1 . . . A 112 ASP CA . 18166 1 1368 . 1 1 112 112 ASP CB C 13 39.195 0.400 . 1 . . . A 112 ASP CB . 18166 1 1369 . 1 1 112 112 ASP N N 15 118.421 0.400 . 1 . . . A 112 ASP N . 18166 1 1370 . 1 1 113 113 LEU C C 13 177.983 0.400 . 1 . . . . 113 LEU C . 18166 1 1371 . 1 1 113 113 LEU H H 1 7.319 0.020 . 1 . . . A 113 LEU H . 18166 1 1372 . 1 1 113 113 LEU HA H 1 4.157 0.020 . 1 . . . A 113 LEU HA . 18166 1 1373 . 1 1 113 113 LEU HB2 H 1 1.904 0.020 . 2 . . . A 113 LEU HB2 . 18166 1 1374 . 1 1 113 113 LEU HB3 H 1 1.442 0.020 . 2 . . . A 113 LEU HB3 . 18166 1 1375 . 1 1 113 113 LEU HG H 1 1.607 0.020 . 1 . . . A 113 LEU HG . 18166 1 1376 . 1 1 113 113 LEU HD11 H 1 0.634 0.020 . 1 . . . A 113 LEU HD11 . 18166 1 1377 . 1 1 113 113 LEU HD12 H 1 0.634 0.020 . 1 . . . A 113 LEU HD12 . 18166 1 1378 . 1 1 113 113 LEU HD13 H 1 0.634 0.020 . 1 . . . A 113 LEU HD13 . 18166 1 1379 . 1 1 113 113 LEU HD21 H 1 0.839 0.020 . 1 . . . A 113 LEU HD21 . 18166 1 1380 . 1 1 113 113 LEU HD22 H 1 0.839 0.020 . 1 . . . A 113 LEU HD22 . 18166 1 1381 . 1 1 113 113 LEU HD23 H 1 0.839 0.020 . 1 . . . A 113 LEU HD23 . 18166 1 1382 . 1 1 113 113 LEU CA C 13 56.534 0.400 . 1 . . . A 113 LEU CA . 18166 1 1383 . 1 1 113 113 LEU CB C 13 42.479 0.400 . 1 . . . A 113 LEU CB . 18166 1 1384 . 1 1 113 113 LEU CG C 13 26.398 0.400 . 1 . . . A 113 LEU CG . 18166 1 1385 . 1 1 113 113 LEU CD1 C 13 25.447 0.400 . 1 . . . A 113 LEU CD1 . 18166 1 1386 . 1 1 113 113 LEU CD2 C 13 23.047 0.400 . 1 . . . A 113 LEU CD2 . 18166 1 1387 . 1 1 113 113 LEU N N 15 120.299 0.400 . 1 . . . A 113 LEU N . 18166 1 1388 . 1 1 114 114 ASP C C 13 175.519 0.400 . 1 . . . . 114 ASP C . 18166 1 1389 . 1 1 114 114 ASP H H 1 8.190 0.020 . 1 . . . A 114 ASP H . 18166 1 1390 . 1 1 114 114 ASP HA H 1 4.638 0.020 . 1 . . . A 114 ASP HA . 18166 1 1391 . 1 1 114 114 ASP HB2 H 1 2.719 0.020 . 2 . . . A 114 ASP HB2 . 18166 1 1392 . 1 1 114 114 ASP HB3 H 1 2.584 0.020 . 2 . . . A 114 ASP HB3 . 18166 1 1393 . 1 1 114 114 ASP CA C 13 53.188 0.400 . 1 . . . A 114 ASP CA . 18166 1 1394 . 1 1 114 114 ASP CB C 13 41.267 0.400 . 1 . . . A 114 ASP CB . 18166 1 1395 . 1 1 114 114 ASP N N 15 118.196 0.400 . 1 . . . A 114 ASP N . 18166 1 1396 . 1 1 115 115 SER C C 13 175.212 0.400 . 1 . . . . 115 SER C . 18166 1 1397 . 1 1 115 115 SER H H 1 8.775 0.020 . 1 . . . A 115 SER H . 18166 1 1398 . 1 1 115 115 SER HA H 1 4.272 0.020 . 1 . . . A 115 SER HA . 18166 1 1399 . 1 1 115 115 SER HB2 H 1 3.991 0.020 . 2 . . . A 115 SER HB2 . 18166 1 1400 . 1 1 115 115 SER HB3 H 1 3.989 0.020 . 2 . . . A 115 SER HB3 . 18166 1 1401 . 1 1 115 115 SER CA C 13 60.133 0.400 . 1 . . . A 115 SER CA . 18166 1 1402 . 1 1 115 115 SER CB C 13 62.791 0.400 . 1 . . . A 115 SER CB . 18166 1 1403 . 1 1 115 115 SER N N 15 121.421 0.400 . 1 . . . A 115 SER N . 18166 1 1404 . 1 1 116 116 SER C C 13 173.938 0.400 . 1 . . . . 116 SER C . 18166 1 1405 . 1 1 116 116 SER H H 1 8.404 0.020 . 1 . . . A 116 SER H . 18166 1 1406 . 1 1 116 116 SER HA H 1 4.481 0.020 . 1 . . . A 116 SER HA . 18166 1 1407 . 1 1 116 116 SER HB2 H 1 4.055 0.020 . 2 . . . A 116 SER HB2 . 18166 1 1408 . 1 1 116 116 SER HB3 H 1 3.867 0.020 . 2 . . . A 116 SER HB3 . 18166 1 1409 . 1 1 116 116 SER CA C 13 57.961 0.400 . 1 . . . A 116 SER CA . 18166 1 1410 . 1 1 116 116 SER CB C 13 63.960 0.400 . 1 . . . A 116 SER CB . 18166 1 1411 . 1 1 116 116 SER N N 15 116.860 0.400 . 1 . . . A 116 SER N . 18166 1 1412 . 1 1 117 117 CYS C C 13 174.391 0.400 . 1 . . . . 117 CYS C . 18166 1 1413 . 1 1 117 117 CYS H H 1 7.401 0.020 . 1 . . . A 117 CYS H . 18166 1 1414 . 1 1 117 117 CYS HA H 1 4.311 0.020 . 1 . . . A 117 CYS HA . 18166 1 1415 . 1 1 117 117 CYS HB2 H 1 3.047 0.020 . 2 . . . A 117 CYS HB2 . 18166 1 1416 . 1 1 117 117 CYS HB3 H 1 2.747 0.020 . 2 . . . A 117 CYS HB3 . 18166 1 1417 . 1 1 117 117 CYS CA C 13 58.972 0.400 . 1 . . . A 117 CYS CA . 18166 1 1418 . 1 1 117 117 CYS CB C 13 25.866 0.400 . 1 . . . A 117 CYS CB . 18166 1 1419 . 1 1 117 117 CYS N N 15 121.814 0.400 . 1 . . . A 117 CYS N . 18166 1 1420 . 1 1 118 118 LYS C C 13 177.735 0.400 . 1 . . . . 118 LYS C . 18166 1 1421 . 1 1 118 118 LYS N N 15 136.846 0.400 . 1 . . . . 118 LYS N . 18166 1 1422 . 1 1 118 118 LYS H H 1 8.647 0.020 . 1 . . . A 118 LYS H . 18166 1 1423 . 1 1 118 118 LYS HA H 1 3.972 0.020 . 1 . . . A 118 LYS HA . 18166 1 1424 . 1 1 118 118 LYS HB2 H 1 1.864 0.020 . 1 . . . A 118 LYS HB2 . 18166 1 1425 . 1 1 118 118 LYS HB3 H 1 1.863 0.020 . 1 . . . A 118 LYS HB3 . 18166 1 1426 . 1 1 118 118 LYS HG2 H 1 1.456 0.020 . 1 . . . A 118 LYS HG2 . 18166 1 1427 . 1 1 118 118 LYS HG3 H 1 1.456 0.020 . 1 . . . A 118 LYS HG3 . 18166 1 1428 . 1 1 118 118 LYS HD2 H 1 1.717 0.020 . 2 . . . A 118 LYS HD2 . 18166 1 1429 . 1 1 118 118 LYS HD3 H 1 1.607 0.020 . 2 . . . A 118 LYS HD3 . 18166 1 1430 . 1 1 118 118 LYS HE2 H 1 3.025 0.020 . 2 . . . A 118 LYS HE2 . 18166 1 1431 . 1 1 118 118 LYS HE3 H 1 2.920 0.020 . 2 . . . A 118 LYS HE3 . 18166 1 1432 . 1 1 118 118 LYS CA C 13 58.867 0.400 . 1 . . . A 118 LYS CA . 18166 1 1433 . 1 1 118 118 LYS CB C 13 32.356 0.400 . 1 . . . A 118 LYS CB . 18166 1 1434 . 1 1 118 118 LYS CG C 13 24.140 0.400 . 1 . . . A 118 LYS CG . 18166 1 1435 . 1 1 118 118 LYS CD C 13 28.744 0.400 . 1 . . . A 118 LYS CD . 18166 1 1436 . 1 1 118 118 LYS CE C 13 42.406 0.400 . 1 . . . A 118 LYS CE . 18166 1 1437 . 1 1 119 119 GLU C C 13 179.809 0.400 . 1 . . . . 119 GLU C . 18166 1 1438 . 1 1 119 119 GLU H H 1 8.998 0.020 . 1 . . . A 119 GLU H . 18166 1 1439 . 1 1 119 119 GLU HA H 1 4.131 0.020 . 1 . . . A 119 GLU HA . 18166 1 1440 . 1 1 119 119 GLU HB2 H 1 2.104 0.020 . 2 . . . A 119 GLU HB2 . 18166 1 1441 . 1 1 119 119 GLU HB3 H 1 1.913 0.020 . 2 . . . A 119 GLU HB3 . 18166 1 1442 . 1 1 119 119 GLU HG2 H 1 2.363 0.020 . 2 . . . A 119 GLU HG2 . 18166 1 1443 . 1 1 119 119 GLU HG3 H 1 2.265 0.020 . 2 . . . A 119 GLU HG3 . 18166 1 1444 . 1 1 119 119 GLU CA C 13 59.000 0.400 . 1 . . . A 119 GLU CA . 18166 1 1445 . 1 1 119 119 GLU CB C 13 29.472 0.400 . 1 . . . A 119 GLU CB . 18166 1 1446 . 1 1 119 119 GLU CG C 13 35.488 0.400 . 1 . . . A 119 GLU CG . 18166 1 1447 . 1 1 119 119 GLU N N 15 117.724 0.400 . 1 . . . A 119 GLU N . 18166 1 1448 . 1 1 120 120 ALA C C 13 177.480 0.400 . 1 . . . . 120 ALA C . 18166 1 1449 . 1 1 120 120 ALA H H 1 7.494 0.020 . 1 . . . A 120 ALA H . 18166 1 1450 . 1 1 120 120 ALA HA H 1 4.368 0.020 . 1 . . . A 120 ALA HA . 18166 1 1451 . 1 1 120 120 ALA HB1 H 1 1.591 0.020 . 1 . . . A 120 ALA HB1 . 18166 1 1452 . 1 1 120 120 ALA HB2 H 1 1.591 0.020 . 1 . . . A 120 ALA HB2 . 18166 1 1453 . 1 1 120 120 ALA HB3 H 1 1.591 0.020 . 1 . . . A 120 ALA HB3 . 18166 1 1454 . 1 1 120 120 ALA CA C 13 53.306 0.400 . 1 . . . A 120 ALA CA . 18166 1 1455 . 1 1 120 120 ALA CB C 13 18.113 0.400 . 1 . . . A 120 ALA CB . 18166 1 1456 . 1 1 120 120 ALA N N 15 120.855 0.400 . 1 . . . A 120 ALA N . 18166 1 1457 . 1 1 121 121 ALA C C 13 180.614 0.400 . 1 . . . . 121 ALA C . 18166 1 1458 . 1 1 121 121 ALA H H 1 7.914 0.020 . 1 . . . A 121 ALA H . 18166 1 1459 . 1 1 121 121 ALA HA H 1 3.995 0.020 . 1 . . . A 121 ALA HA . 18166 1 1460 . 1 1 121 121 ALA HB1 H 1 1.454 0.020 . 1 . . . A 121 ALA HB1 . 18166 1 1461 . 1 1 121 121 ALA HB2 H 1 1.454 0.020 . 1 . . . A 121 ALA HB2 . 18166 1 1462 . 1 1 121 121 ALA HB3 H 1 1.454 0.020 . 1 . . . A 121 ALA HB3 . 18166 1 1463 . 1 1 121 121 ALA CA C 13 54.792 0.400 . 1 . . . A 121 ALA CA . 18166 1 1464 . 1 1 121 121 ALA CB C 13 17.804 0.400 . 1 . . . A 121 ALA CB . 18166 1 1465 . 1 1 121 121 ALA N N 15 123.265 0.400 . 1 . . . A 121 ALA N . 18166 1 1466 . 1 1 122 122 ASP C C 13 179.212 0.400 . 1 . . . . 122 ASP C . 18166 1 1467 . 1 1 122 122 ASP H H 1 8.964 0.020 . 1 . . . A 122 ASP H . 18166 1 1468 . 1 1 122 122 ASP HA H 1 4.271 0.020 . 1 . . . A 122 ASP HA . 18166 1 1469 . 1 1 122 122 ASP HB2 H 1 2.593 0.020 . 2 . . . A 122 ASP HB2 . 18166 1 1470 . 1 1 122 122 ASP HB3 H 1 2.468 0.020 . 2 . . . A 122 ASP HB3 . 18166 1 1471 . 1 1 122 122 ASP CA C 13 56.242 0.400 . 1 . . . A 122 ASP CA . 18166 1 1472 . 1 1 122 122 ASP CB C 13 39.115 0.400 . 1 . . . A 122 ASP CB . 18166 1 1473 . 1 1 122 122 ASP N N 15 118.732 0.400 . 1 . . . A 122 ASP N . 18166 1 1474 . 1 1 123 123 GLY C C 13 174.871 0.400 . 1 . . . . 123 GLY C . 18166 1 1475 . 1 1 123 123 GLY H H 1 7.572 0.020 . 1 . . . A 123 GLY H . 18166 1 1476 . 1 1 123 123 GLY HA2 H 1 2.273 0.020 . 2 . . . A 123 GLY HA2 . 18166 1 1477 . 1 1 123 123 GLY HA3 H 1 3.296 0.020 . 2 . . . A 123 GLY HA3 . 18166 1 1478 . 1 1 123 123 GLY CA C 13 46.614 0.400 . 1 . . . A 123 GLY CA . 18166 1 1479 . 1 1 123 123 GLY N N 15 108.568 0.400 . 1 . . . A 123 GLY N . 18166 1 1480 . 1 1 124 124 TYR C C 13 176.702 0.400 . 1 . . . . 124 TYR C . 18166 1 1481 . 1 1 124 124 TYR H H 1 8.162 0.020 . 1 . . . A 124 TYR H . 18166 1 1482 . 1 1 124 124 TYR HA H 1 3.614 0.020 . 1 . . . A 124 TYR HA . 18166 1 1483 . 1 1 124 124 TYR HB2 H 1 3.080 0.020 . 2 . . . A 124 TYR HB2 . 18166 1 1484 . 1 1 124 124 TYR HB3 H 1 2.870 0.020 . 2 . . . A 124 TYR HB3 . 18166 1 1485 . 1 1 124 124 TYR HD1 H 1 7.067 0.020 . 1 . . . A 124 TYR HD1 . 18166 1 1486 . 1 1 124 124 TYR HD2 H 1 7.074 0.020 . 1 . . . A 124 TYR HD2 . 18166 1 1487 . 1 1 124 124 TYR HE1 H 1 6.803 0.020 . 1 . . . A 124 TYR HE1 . 18166 1 1488 . 1 1 124 124 TYR HE2 H 1 6.797 0.020 . 1 . . . A 124 TYR HE2 . 18166 1 1489 . 1 1 124 124 TYR CA C 13 63.184 0.400 . 1 . . . A 124 TYR CA . 18166 1 1490 . 1 1 124 124 TYR CB C 13 37.897 0.400 . 1 . . . A 124 TYR CB . 18166 1 1491 . 1 1 124 124 TYR CD1 C 13 132.168 0.400 . 1 . . . A 124 TYR CD1 . 18166 1 1492 . 1 1 124 124 TYR CD2 C 13 132.502 0.400 . 1 . . . A 124 TYR CD2 . 18166 1 1493 . 1 1 124 124 TYR CE1 C 13 118.345 0.400 . 1 . . . A 124 TYR CE1 . 18166 1 1494 . 1 1 124 124 TYR CE2 C 13 118.417 0.400 . 1 . . . A 124 TYR CE2 . 18166 1 1495 . 1 1 124 124 TYR N N 15 122.944 0.400 . 1 . . . A 124 TYR N . 18166 1 1496 . 1 1 125 125 GLN C C 13 178.085 0.400 . 1 . . . . 125 GLN C . 18166 1 1497 . 1 1 125 125 GLN H H 1 7.510 0.020 . 1 . . . A 125 GLN H . 18166 1 1498 . 1 1 125 125 GLN HA H 1 3.875 0.020 . 1 . . . A 125 GLN HA . 18166 1 1499 . 1 1 125 125 GLN HB2 H 1 2.155 0.020 . 2 . . . A 125 GLN HB2 . 18166 1 1500 . 1 1 125 125 GLN HB3 H 1 2.153 0.020 . 2 . . . A 125 GLN HB3 . 18166 1 1501 . 1 1 125 125 GLN HG2 H 1 2.476 0.020 . 2 . . . A 125 GLN HG2 . 18166 1 1502 . 1 1 125 125 GLN HG3 H 1 2.478 0.020 . 2 . . . A 125 GLN HG3 . 18166 1 1503 . 1 1 125 125 GLN HE21 H 1 6.848 0.020 . 2 . . . A 125 GLN HE21 . 18166 1 1504 . 1 1 125 125 GLN HE22 H 1 7.469 0.020 . 2 . . . A 125 GLN HE22 . 18166 1 1505 . 1 1 125 125 GLN CA C 13 58.620 0.400 . 1 . . . A 125 GLN CA . 18166 1 1506 . 1 1 125 125 GLN CB C 13 28.137 0.400 . 1 . . . A 125 GLN CB . 18166 1 1507 . 1 1 125 125 GLN CG C 13 33.219 0.400 . 1 . . . A 125 GLN CG . 18166 1 1508 . 1 1 125 125 GLN N N 15 115.988 0.400 . 1 . . . A 125 GLN N . 18166 1 1509 . 1 1 125 125 GLN NE2 N 15 111.281 0.400 . 1 . . . A 125 GLN NE2 . 18166 1 1510 . 1 1 126 126 ARG C C 13 180.401 0.400 . 1 . . . . 126 ARG C . 18166 1 1511 . 1 1 126 126 ARG H H 1 8.139 0.020 . 1 . . . A 126 ARG H . 18166 1 1512 . 1 1 126 126 ARG HA H 1 3.933 0.020 . 1 . . . A 126 ARG HA . 18166 1 1513 . 1 1 126 126 ARG HB2 H 1 1.816 0.020 . 2 . . . A 126 ARG HB2 . 18166 1 1514 . 1 1 126 126 ARG HB3 H 1 1.731 0.020 . 2 . . . A 126 ARG HB3 . 18166 1 1515 . 1 1 126 126 ARG HG2 H 1 1.329 0.020 . 2 . . . A 126 ARG HG2 . 18166 1 1516 . 1 1 126 126 ARG HG3 H 1 1.487 0.020 . 2 . . . A 126 ARG HG3 . 18166 1 1517 . 1 1 126 126 ARG HD2 H 1 2.702 0.020 . 2 . . . A 126 ARG HD2 . 18166 1 1518 . 1 1 126 126 ARG HD3 H 1 2.694 0.020 . 2 . . . A 126 ARG HD3 . 18166 1 1519 . 1 1 126 126 ARG CA C 13 59.817 0.400 . 1 . . . A 126 ARG CA . 18166 1 1520 . 1 1 126 126 ARG CB C 13 31.092 0.400 . 1 . . . A 126 ARG CB . 18166 1 1521 . 1 1 126 126 ARG CG C 13 27.699 0.400 . 1 . . . A 126 ARG CG . 18166 1 1522 . 1 1 126 126 ARG CD C 13 42.086 0.400 . 1 . . . A 126 ARG CD . 18166 1 1523 . 1 1 126 126 ARG N N 15 118.626 0.400 . 1 . . . A 126 ARG N . 18166 1 1524 . 1 1 127 127 CYS C C 13 175.584 0.400 . 1 . . . . 127 CYS C . 18166 1 1525 . 1 1 127 127 CYS H H 1 8.097 0.020 . 1 . . . A 127 CYS H . 18166 1 1526 . 1 1 127 127 CYS HA H 1 3.889 0.020 . 1 . . . A 127 CYS HA . 18166 1 1527 . 1 1 127 127 CYS HB2 H 1 3.014 0.020 . 2 . . . A 127 CYS HB2 . 18166 1 1528 . 1 1 127 127 CYS HB3 H 1 2.776 0.020 . 2 . . . A 127 CYS HB3 . 18166 1 1529 . 1 1 127 127 CYS CA C 13 63.963 0.400 . 1 . . . A 127 CYS CA . 18166 1 1530 . 1 1 127 127 CYS CB C 13 27.766 0.400 . 1 . . . A 127 CYS CB . 18166 1 1531 . 1 1 127 127 CYS N N 15 116.985 0.400 . 1 . . . A 127 CYS N . 18166 1 1532 . 1 1 128 128 MET C C 13 178.763 0.400 . 1 . . . . 128 MET C . 18166 1 1533 . 1 1 128 128 MET H H 1 8.163 0.020 . 1 . . . A 128 MET H . 18166 1 1534 . 1 1 128 128 MET HA H 1 3.989 0.020 . 1 . . . A 128 MET HA . 18166 1 1535 . 1 1 128 128 MET HB2 H 1 2.390 0.020 . 2 . . . A 128 MET HB2 . 18166 1 1536 . 1 1 128 128 MET HB3 H 1 2.337 0.020 . 2 . . . A 128 MET HB3 . 18166 1 1537 . 1 1 128 128 MET HG2 H 1 1.848 0.020 . 2 . . . A 128 MET HG2 . 18166 1 1538 . 1 1 128 128 MET HG3 H 1 1.987 0.020 . 2 . . . A 128 MET HG3 . 18166 1 1539 . 1 1 128 128 MET HE1 H 1 2.027 0.020 . 1 . . . A 128 MET HE1 . 18166 1 1540 . 1 1 128 128 MET HE2 H 1 2.027 0.020 . 1 . . . A 128 MET HE2 . 18166 1 1541 . 1 1 128 128 MET HE3 H 1 2.027 0.020 . 1 . . . A 128 MET HE3 . 18166 1 1542 . 1 1 128 128 MET CA C 13 58.420 0.400 . 1 . . . A 128 MET CA . 18166 1 1543 . 1 1 128 128 MET CB C 13 31.539 0.400 . 1 . . . A 128 MET CB . 18166 1 1544 . 1 1 128 128 MET CG C 13 31.951 0.400 . 1 . . . A 128 MET CG . 18166 1 1545 . 1 1 128 128 MET CE C 13 16.383 0.400 . 1 . . . A 128 MET CE . 18166 1 1546 . 1 1 128 128 MET N N 15 120.493 0.400 . 1 . . . A 128 MET N . 18166 1 1547 . 1 1 129 129 MET C C 13 178.145 0.400 . 1 . . . . 129 MET C . 18166 1 1548 . 1 1 129 129 MET H H 1 7.723 0.020 . 1 . . . A 129 MET H . 18166 1 1549 . 1 1 129 129 MET HA H 1 4.211 0.020 . 1 . . . A 129 MET HA . 18166 1 1550 . 1 1 129 129 MET HB2 H 1 2.024 0.020 . 2 . . . A 129 MET HB2 . 18166 1 1551 . 1 1 129 129 MET HB3 H 1 2.020 0.020 . 2 . . . A 129 MET HB3 . 18166 1 1552 . 1 1 129 129 MET HG2 H 1 2.580 0.020 . 2 . . . A 129 MET HG2 . 18166 1 1553 . 1 1 129 129 MET HG3 H 1 2.701 0.020 . 2 . . . A 129 MET HG3 . 18166 1 1554 . 1 1 129 129 MET HE1 H 1 2.022 0.020 . 1 . . . A 129 MET HE1 . 18166 1 1555 . 1 1 129 129 MET HE2 H 1 2.022 0.020 . 1 . . . A 129 MET HE2 . 18166 1 1556 . 1 1 129 129 MET HE3 H 1 2.022 0.020 . 1 . . . A 129 MET HE3 . 18166 1 1557 . 1 1 129 129 MET CA C 13 56.677 0.400 . 1 . . . A 129 MET CA . 18166 1 1558 . 1 1 129 129 MET CB C 13 31.951 0.400 . 1 . . . A 129 MET CB . 18166 1 1559 . 1 1 129 129 MET CG C 13 31.624 0.400 . 1 . . . A 129 MET CG . 18166 1 1560 . 1 1 129 129 MET CE C 13 16.383 0.400 . 1 . . . A 129 MET CE . 18166 1 1561 . 1 1 129 129 MET N N 15 115.583 0.400 . 1 . . . A 129 MET N . 18166 1 1562 . 1 1 130 130 ALA C C 13 178.428 0.400 . 1 . . . . 130 ALA C . 18166 1 1563 . 1 1 130 130 ALA H H 1 7.458 0.020 . 1 . . . A 130 ALA H . 18166 1 1564 . 1 1 130 130 ALA HA H 1 3.908 0.020 . 1 . . . A 130 ALA HA . 18166 1 1565 . 1 1 130 130 ALA HB1 H 1 0.565 0.020 . 1 . . . A 130 ALA HB1 . 18166 1 1566 . 1 1 130 130 ALA HB2 H 1 0.565 0.020 . 1 . . . A 130 ALA HB2 . 18166 1 1567 . 1 1 130 130 ALA HB3 H 1 0.565 0.020 . 1 . . . A 130 ALA HB3 . 18166 1 1568 . 1 1 130 130 ALA CA C 13 53.080 0.400 . 1 . . . A 130 ALA CA . 18166 1 1569 . 1 1 130 130 ALA CB C 13 16.504 0.400 . 1 . . . A 130 ALA CB . 18166 1 1570 . 1 1 130 130 ALA N N 15 121.061 0.400 . 1 . . . A 130 ALA N . 18166 1 1571 . 1 1 131 131 GLN C C 13 175.848 0.400 . 1 . . . . 131 GLN C . 18166 1 1572 . 1 1 131 131 GLN H H 1 7.214 0.020 . 1 . . . A 131 GLN H . 18166 1 1573 . 1 1 131 131 GLN HA H 1 4.006 0.020 . 1 . . . A 131 GLN HA . 18166 1 1574 . 1 1 131 131 GLN HB2 H 1 1.799 0.020 . 2 . . . A 131 GLN HB2 . 18166 1 1575 . 1 1 131 131 GLN HB3 H 1 1.693 0.020 . 2 . . . A 131 GLN HB3 . 18166 1 1576 . 1 1 131 131 GLN HG2 H 1 1.934 0.020 . 2 . . . A 131 GLN HG2 . 18166 1 1577 . 1 1 131 131 GLN HG3 H 1 1.810 0.020 . 2 . . . A 131 GLN HG3 . 18166 1 1578 . 1 1 131 131 GLN HE21 H 1 7.205 0.020 . 2 . . . A 131 GLN HE21 . 18166 1 1579 . 1 1 131 131 GLN HE22 H 1 6.753 0.020 . 2 . . . A 131 GLN HE22 . 18166 1 1580 . 1 1 131 131 GLN CA C 13 56.803 0.400 . 1 . . . A 131 GLN CA . 18166 1 1581 . 1 1 131 131 GLN CB C 13 29.105 0.400 . 1 . . . A 131 GLN CB . 18166 1 1582 . 1 1 131 131 GLN CG C 13 32.598 0.400 . 1 . . . A 131 GLN CG . 18166 1 1583 . 1 1 131 131 GLN N N 15 114.560 0.400 . 1 . . . A 131 GLN N . 18166 1 1584 . 1 1 131 131 GLN NE2 N 15 111.466 0.400 . 1 . . . A 131 GLN NE2 . 18166 1 1585 . 1 1 132 132 TYR C C 13 174.983 0.400 . 1 . . . . 132 TYR C . 18166 1 1586 . 1 1 132 132 TYR H H 1 7.545 0.020 . 1 . . . A 132 TYR H . 18166 1 1587 . 1 1 132 132 TYR HA H 1 4.642 0.020 . 1 . . . A 132 TYR HA . 18166 1 1588 . 1 1 132 132 TYR HB2 H 1 3.208 0.020 . 2 . . . A 132 TYR HB2 . 18166 1 1589 . 1 1 132 132 TYR HB3 H 1 2.816 0.020 . 2 . . . A 132 TYR HB3 . 18166 1 1590 . 1 1 132 132 TYR HD1 H 1 7.170 0.020 . 1 . . . A 132 TYR HD1 . 18166 1 1591 . 1 1 132 132 TYR HD2 H 1 7.163 0.020 . 1 . . . A 132 TYR HD2 . 18166 1 1592 . 1 1 132 132 TYR HE1 H 1 6.760 0.020 . 1 . . . A 132 TYR HE1 . 18166 1 1593 . 1 1 132 132 TYR HE2 H 1 6.759 0.020 . 1 . . . A 132 TYR HE2 . 18166 1 1594 . 1 1 132 132 TYR CA C 13 57.558 0.400 . 1 . . . A 132 TYR CA . 18166 1 1595 . 1 1 132 132 TYR CB C 13 38.312 0.400 . 1 . . . A 132 TYR CB . 18166 1 1596 . 1 1 132 132 TYR CD1 C 13 132.895 0.400 . 1 . . . A 132 TYR CD1 . 18166 1 1597 . 1 1 132 132 TYR CD2 C 13 133.293 0.400 . 1 . . . A 132 TYR CD2 . 18166 1 1598 . 1 1 132 132 TYR CE1 C 13 117.782 0.400 . 1 . . . A 132 TYR CE1 . 18166 1 1599 . 1 1 132 132 TYR CE2 C 13 117.743 0.400 . 1 . . . A 132 TYR CE2 . 18166 1 1600 . 1 1 132 132 TYR N N 15 117.856 0.400 . 1 . . . A 132 TYR N . 18166 1 1601 . 1 1 133 133 ASN H H 1 7.729 0.020 . 1 . . . A 133 ASN H . 18166 1 1602 . 1 1 133 133 ASN HA H 1 4.497 0.020 . 1 . . . A 133 ASN HA . 18166 1 1603 . 1 1 133 133 ASN HB2 H 1 2.682 0.020 . 2 . . . A 133 ASN HB2 . 18166 1 1604 . 1 1 133 133 ASN HB3 H 1 2.792 0.020 . 2 . . . A 133 ASN HB3 . 18166 1 1605 . 1 1 133 133 ASN HD21 H 1 7.492 0.020 . 2 . . . A 133 ASN HD21 . 18166 1 1606 . 1 1 133 133 ASN HD22 H 1 6.825 0.020 . 2 . . . A 133 ASN HD22 . 18166 1 1607 . 1 1 133 133 ASN CA C 13 54.670 0.400 . 1 . . . A 133 ASN CA . 18166 1 1608 . 1 1 133 133 ASN CB C 13 40.136 0.400 . 1 . . . A 133 ASN CB . 18166 1 1609 . 1 1 133 133 ASN N N 15 124.076 0.400 . 1 . . . A 133 ASN N . 18166 1 1610 . 1 1 133 133 ASN ND2 N 15 112.350 0.400 . 1 . . . A 133 ASN ND2 . 18166 1 stop_ save_