data_17420 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17420 _Entry.Title ; Solution structure of Chr148 from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target Chr148 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-21 _Entry.Accession_date 2011-01-21 _Entry.Last_release_date 2011-02-04 _Entry.Original_release_date 2011-02-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yizhou Liu . . . 17420 2 Dan Lee . . . 17420 3 Colleen Ciccosanti . . . 17420 4 'Lei MaoR' Nair . . . 17420 5 B. Rost . . . 17420 6 T.B. Acton . . . 17420 7 R. Xiao . . . 17420 8 J.K Everett . . . 17420 9 G.T Montelione . . . 17420 10 James Prestegard . . . 17420 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-3, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17420 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'mixed alpha-beta protein' . 17420 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17420 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 548 17420 '15N chemical shifts' 140 17420 '1H chemical shifts' 768 17420 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 . . 2011-02-04 2011-01-21 original author . 17420 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8O 'BMRB Entry Tracking System' 17420 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17420 _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 'Solution structure of Chr148 from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target Chr148' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Yizhou Liu . . . 17420 1 2 Dan Lee . . . 17420 1 3 Colleen Ciccosanti . . . 17420 1 4 'Lei MaoR' Nair . . . 17420 1 5 B Rost . . . 17420 1 6 T.B. Acton . . . 17420 1 7 R. Xiao . . . 17420 1 8 J.K Everett . . . 17420 1 9 G.T Montelione . . . 17420 1 10 James Prestegard . . . 17420 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17420 _Assembly.ID 1 _Assembly.Name Chr148 _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 Chr148 1 $Chr148 A . yes native no no . . . 17420 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chr148 _Entity.Sf_category entity _Entity.Sf_framecode Chr148 _Entity.Entry_ID 17420 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Chr148 _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 ; GNKITVEVTVYAAIEKVWKY WNEPAHIMKWCQASPEWHVP AAQNDLKAGGTFTTTMAAKD GSMSFDFGGVYDQVKTNDLI EYTIGDGRKVRIVFTHTGDT TNIVESFDPEETNPRELQQS GWQAILNSFKSYTENNLEHH HHHH ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16413.268 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L8O . "Solution Structure Of Chr148 From Cytophaga Hutchinsonii, Northeast Structural Genomics Consortium Target Chr148" . . . . . 100.00 144 100.00 100.00 7.04e-103 . . . . 17420 1 2 no GB ABG61021 . "conserved hypothetical protein [Cytophaga hutchinsonii ATCC 33406]" . . . . . 94.44 137 100.00 100.00 4.10e-96 . . . . 17420 1 3 no REF WP_011587126 . "activator of HSP90 ATPase [Cytophaga hutchinsonii]" . . . . . 94.44 137 100.00 100.00 4.10e-96 . . . . 17420 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17420 1 2 . ASN . 17420 1 3 . LYS . 17420 1 4 . ILE . 17420 1 5 . THR . 17420 1 6 . VAL . 17420 1 7 . GLU . 17420 1 8 . VAL . 17420 1 9 . THR . 17420 1 10 . VAL . 17420 1 11 . TYR . 17420 1 12 . ALA . 17420 1 13 . ALA . 17420 1 14 . ILE . 17420 1 15 . GLU . 17420 1 16 . LYS . 17420 1 17 . VAL . 17420 1 18 . TRP . 17420 1 19 . LYS . 17420 1 20 . TYR . 17420 1 21 . TRP . 17420 1 22 . ASN . 17420 1 23 . GLU . 17420 1 24 . PRO . 17420 1 25 . ALA . 17420 1 26 . HIS . 17420 1 27 . ILE . 17420 1 28 . MET . 17420 1 29 . LYS . 17420 1 30 . TRP . 17420 1 31 . CYS . 17420 1 32 . GLN . 17420 1 33 . ALA . 17420 1 34 . SER . 17420 1 35 . PRO . 17420 1 36 . GLU . 17420 1 37 . TRP . 17420 1 38 . HIS . 17420 1 39 . VAL . 17420 1 40 . PRO . 17420 1 41 . ALA . 17420 1 42 . ALA . 17420 1 43 . GLN . 17420 1 44 . ASN . 17420 1 45 . ASP . 17420 1 46 . LEU . 17420 1 47 . LYS . 17420 1 48 . ALA . 17420 1 49 . GLY . 17420 1 50 . GLY . 17420 1 51 . THR . 17420 1 52 . PHE . 17420 1 53 . THR . 17420 1 54 . THR . 17420 1 55 . THR . 17420 1 56 . MET . 17420 1 57 . ALA . 17420 1 58 . ALA . 17420 1 59 . LYS . 17420 1 60 . ASP . 17420 1 61 . GLY . 17420 1 62 . SER . 17420 1 63 . MET . 17420 1 64 . SER . 17420 1 65 . PHE . 17420 1 66 . ASP . 17420 1 67 . PHE . 17420 1 68 . GLY . 17420 1 69 . GLY . 17420 1 70 . VAL . 17420 1 71 . TYR . 17420 1 72 . ASP . 17420 1 73 . GLN . 17420 1 74 . VAL . 17420 1 75 . LYS . 17420 1 76 . THR . 17420 1 77 . ASN . 17420 1 78 . ASP . 17420 1 79 . LEU . 17420 1 80 . ILE . 17420 1 81 . GLU . 17420 1 82 . TYR . 17420 1 83 . THR . 17420 1 84 . ILE . 17420 1 85 . GLY . 17420 1 86 . ASP . 17420 1 87 . GLY . 17420 1 88 . ARG . 17420 1 89 . LYS . 17420 1 90 . VAL . 17420 1 91 . ARG . 17420 1 92 . ILE . 17420 1 93 . VAL . 17420 1 94 . PHE . 17420 1 95 . THR . 17420 1 96 . HIS . 17420 1 97 . THR . 17420 1 98 . GLY . 17420 1 99 . ASP . 17420 1 100 . THR . 17420 1 101 . THR . 17420 1 102 . ASN . 17420 1 103 . ILE . 17420 1 104 . VAL . 17420 1 105 . GLU . 17420 1 106 . SER . 17420 1 107 . PHE . 17420 1 108 . ASP . 17420 1 109 . PRO . 17420 1 110 . GLU . 17420 1 111 . GLU . 17420 1 112 . THR . 17420 1 113 . ASN . 17420 1 114 . PRO . 17420 1 115 . ARG . 17420 1 116 . GLU . 17420 1 117 . LEU . 17420 1 118 . GLN . 17420 1 119 . GLN . 17420 1 120 . SER . 17420 1 121 . GLY . 17420 1 122 . TRP . 17420 1 123 . GLN . 17420 1 124 . ALA . 17420 1 125 . ILE . 17420 1 126 . LEU . 17420 1 127 . ASN . 17420 1 128 . SER . 17420 1 129 . PHE . 17420 1 130 . LYS . 17420 1 131 . SER . 17420 1 132 . TYR . 17420 1 133 . THR . 17420 1 134 . GLU . 17420 1 135 . ASN . 17420 1 136 . ASN . 17420 1 137 . LEU . 17420 1 138 . GLU . 17420 1 139 . HIS . 17420 1 140 . HIS . 17420 1 141 . HIS . 17420 1 142 . HIS . 17420 1 143 . HIS . 17420 1 144 . HIS . 17420 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17420 1 . ASN 2 2 17420 1 . LYS 3 3 17420 1 . ILE 4 4 17420 1 . THR 5 5 17420 1 . VAL 6 6 17420 1 . GLU 7 7 17420 1 . VAL 8 8 17420 1 . THR 9 9 17420 1 . VAL 10 10 17420 1 . TYR 11 11 17420 1 . ALA 12 12 17420 1 . ALA 13 13 17420 1 . ILE 14 14 17420 1 . GLU 15 15 17420 1 . LYS 16 16 17420 1 . VAL 17 17 17420 1 . TRP 18 18 17420 1 . LYS 19 19 17420 1 . TYR 20 20 17420 1 . TRP 21 21 17420 1 . ASN 22 22 17420 1 . GLU 23 23 17420 1 . PRO 24 24 17420 1 . ALA 25 25 17420 1 . HIS 26 26 17420 1 . ILE 27 27 17420 1 . MET 28 28 17420 1 . LYS 29 29 17420 1 . TRP 30 30 17420 1 . CYS 31 31 17420 1 . GLN 32 32 17420 1 . ALA 33 33 17420 1 . SER 34 34 17420 1 . PRO 35 35 17420 1 . GLU 36 36 17420 1 . TRP 37 37 17420 1 . HIS 38 38 17420 1 . VAL 39 39 17420 1 . PRO 40 40 17420 1 . ALA 41 41 17420 1 . ALA 42 42 17420 1 . GLN 43 43 17420 1 . ASN 44 44 17420 1 . ASP 45 45 17420 1 . LEU 46 46 17420 1 . LYS 47 47 17420 1 . ALA 48 48 17420 1 . GLY 49 49 17420 1 . GLY 50 50 17420 1 . THR 51 51 17420 1 . PHE 52 52 17420 1 . THR 53 53 17420 1 . THR 54 54 17420 1 . THR 55 55 17420 1 . MET 56 56 17420 1 . ALA 57 57 17420 1 . ALA 58 58 17420 1 . LYS 59 59 17420 1 . ASP 60 60 17420 1 . GLY 61 61 17420 1 . SER 62 62 17420 1 . MET 63 63 17420 1 . SER 64 64 17420 1 . PHE 65 65 17420 1 . ASP 66 66 17420 1 . PHE 67 67 17420 1 . GLY 68 68 17420 1 . GLY 69 69 17420 1 . VAL 70 70 17420 1 . TYR 71 71 17420 1 . ASP 72 72 17420 1 . GLN 73 73 17420 1 . VAL 74 74 17420 1 . LYS 75 75 17420 1 . THR 76 76 17420 1 . ASN 77 77 17420 1 . ASP 78 78 17420 1 . LEU 79 79 17420 1 . ILE 80 80 17420 1 . GLU 81 81 17420 1 . TYR 82 82 17420 1 . THR 83 83 17420 1 . ILE 84 84 17420 1 . GLY 85 85 17420 1 . ASP 86 86 17420 1 . GLY 87 87 17420 1 . ARG 88 88 17420 1 . LYS 89 89 17420 1 . VAL 90 90 17420 1 . ARG 91 91 17420 1 . ILE 92 92 17420 1 . VAL 93 93 17420 1 . PHE 94 94 17420 1 . THR 95 95 17420 1 . HIS 96 96 17420 1 . THR 97 97 17420 1 . GLY 98 98 17420 1 . ASP 99 99 17420 1 . THR 100 100 17420 1 . THR 101 101 17420 1 . ASN 102 102 17420 1 . ILE 103 103 17420 1 . VAL 104 104 17420 1 . GLU 105 105 17420 1 . SER 106 106 17420 1 . PHE 107 107 17420 1 . ASP 108 108 17420 1 . PRO 109 109 17420 1 . GLU 110 110 17420 1 . GLU 111 111 17420 1 . THR 112 112 17420 1 . ASN 113 113 17420 1 . PRO 114 114 17420 1 . ARG 115 115 17420 1 . GLU 116 116 17420 1 . LEU 117 117 17420 1 . GLN 118 118 17420 1 . GLN 119 119 17420 1 . SER 120 120 17420 1 . GLY 121 121 17420 1 . TRP 122 122 17420 1 . GLN 123 123 17420 1 . ALA 124 124 17420 1 . ILE 125 125 17420 1 . LEU 126 126 17420 1 . ASN 127 127 17420 1 . SER 128 128 17420 1 . PHE 129 129 17420 1 . LYS 130 130 17420 1 . SER 131 131 17420 1 . TYR 132 132 17420 1 . THR 133 133 17420 1 . GLU 134 134 17420 1 . ASN 135 135 17420 1 . ASN 136 136 17420 1 . LEU 137 137 17420 1 . GLU 138 138 17420 1 . HIS 139 139 17420 1 . HIS 140 140 17420 1 . HIS 141 141 17420 1 . HIS 142 142 17420 1 . HIS 143 143 17420 1 . HIS 144 144 17420 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 17420 _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 $Chr148 . 985 plasmid . 'Cytophaga hutchinsonii' 'CFb group bacteria' . . Bacteria . Cytophaga hutchinsonii . . . . . . . . . . . . . . . . . . . . . 17420 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 17420 _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 $Chr148 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21C' . . . . . . 17420 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17420 _Sample.ID 1 _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 Chr148 'natural abundance' . . 1 $Chr148 . . 1 . . mM . . . . 17420 1 2 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 17420 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17420 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 17420 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17420 1 6 MES 'natural abundance' . . . . . . 20 . . mM . . . . 17420 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17420 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17420 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17420 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 . M 17420 1 pH 6.5 . pH 17420 1 pressure 1 . atm 17420 1 temperature 298 . K 17420 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17420 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17420 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17420 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17420 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17420 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17420 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17420 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17420 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17420 3 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 17420 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17420 _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 Varian INOVA . 600 . . . 17420 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 17420 _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 . . . . . . . . . . . . . . . . 17420 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 1 9 NH-Jmod no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17420 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 17420 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17420 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 17420 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17420 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 17420 _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' . . . 17420 1 2 '2D 1H-13C HSQC' . . . 17420 1 3 '2D 1H-13C HSQC aromatic' . . . 17420 1 4 '3D CBCA(CO)NH' . . . 17420 1 5 '3D HNCACB' . . . 17420 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 2 2 ASN HA H 1 4.745 0.003 . 1 . . . A 2 ASN HA . 17420 1 2 . 1 1 2 2 ASN HB2 H 1 2.763 0.001 . 2 . . . A 2 ASN HB2 . 17420 1 3 . 1 1 2 2 ASN HB3 H 1 2.620 0.002 . 2 . . . A 2 ASN HB3 . 17420 1 4 . 1 1 2 2 ASN C C 13 175.441 0.01 . 1 . . . A 2 ASN C . 17420 1 5 . 1 1 2 2 ASN CA C 13 52.968 0.042 . 1 . . . A 2 ASN CA . 17420 1 6 . 1 1 3 3 LYS H H 1 8.214 0.004 . 1 . . . A 3 LYS H . 17420 1 7 . 1 1 3 3 LYS HA H 1 4.103 0.005 . 1 . . . A 3 LYS HA . 17420 1 8 . 1 1 3 3 LYS HB2 H 1 1.495 0.005 . 2 . . . A 3 LYS HB2 . 17420 1 9 . 1 1 3 3 LYS HB3 H 1 1.329 0.01 . 2 . . . A 3 LYS HB3 . 17420 1 10 . 1 1 3 3 LYS HG2 H 1 1.359 0.01 . 2 . . . A 3 LYS HG2 . 17420 1 11 . 1 1 3 3 LYS HG3 H 1 1.359 0.01 . 2 . . . A 3 LYS HG3 . 17420 1 12 . 1 1 3 3 LYS HD2 H 1 1.347 0.01 . 2 . . . A 3 LYS HD2 . 17420 1 13 . 1 1 3 3 LYS HD3 H 1 1.347 0.01 . 2 . . . A 3 LYS HD3 . 17420 1 14 . 1 1 3 3 LYS HE2 H 1 2.814 0.021 . 2 . . . A 3 LYS HE2 . 17420 1 15 . 1 1 3 3 LYS C C 13 177.213 0.01 . 1 . . . A 3 LYS C . 17420 1 16 . 1 1 3 3 LYS CA C 13 57.027 0.044 . 1 . . . A 3 LYS CA . 17420 1 17 . 1 1 3 3 LYS CB C 13 33.620 0.016 . 1 . . . A 3 LYS CB . 17420 1 18 . 1 1 3 3 LYS CG C 13 25.478 0.081 . 1 . . . A 3 LYS CG . 17420 1 19 . 1 1 3 3 LYS CD C 13 29.105 0.031 . 1 . . . A 3 LYS CD . 17420 1 20 . 1 1 3 3 LYS N N 15 120.596 0.015 . 1 . . . A 3 LYS N . 17420 1 21 . 1 1 4 4 ILE H H 1 8.136 0.004 . 1 . . . A 4 ILE H . 17420 1 22 . 1 1 4 4 ILE HA H 1 3.841 0.003 . 1 . . . A 4 ILE HA . 17420 1 23 . 1 1 4 4 ILE HB H 1 0.013 0.004 . 1 . . . A 4 ILE HB . 17420 1 24 . 1 1 4 4 ILE HG12 H 1 1.232 0.002 . 2 . . . A 4 ILE HG12 . 17420 1 25 . 1 1 4 4 ILE HG13 H 1 0.678 0.002 . 2 . . . A 4 ILE HG13 . 17420 1 26 . 1 1 4 4 ILE HG21 H 1 0.508 0.003 . 1 . . . A 4 ILE HG21 . 17420 1 27 . 1 1 4 4 ILE HG22 H 1 0.508 0.003 . 1 . . . A 4 ILE HG22 . 17420 1 28 . 1 1 4 4 ILE HG23 H 1 0.508 0.003 . 1 . . . A 4 ILE HG23 . 17420 1 29 . 1 1 4 4 ILE HD11 H 1 0.667 0.005 . 1 . . . A 4 ILE HD11 . 17420 1 30 . 1 1 4 4 ILE HD12 H 1 0.667 0.005 . 1 . . . A 4 ILE HD12 . 17420 1 31 . 1 1 4 4 ILE HD13 H 1 0.667 0.005 . 1 . . . A 4 ILE HD13 . 17420 1 32 . 1 1 4 4 ILE C C 13 173.940 0.01 . 1 . . . A 4 ILE C . 17420 1 33 . 1 1 4 4 ILE CA C 13 60.588 0.054 . 1 . . . A 4 ILE CA . 17420 1 34 . 1 1 4 4 ILE CB C 13 37.820 0.073 . 1 . . . A 4 ILE CB . 17420 1 35 . 1 1 4 4 ILE CG1 C 13 27.686 0.044 . 1 . . . A 4 ILE CG1 . 17420 1 36 . 1 1 4 4 ILE CG2 C 13 18.505 0.063 . 1 . . . A 4 ILE CG2 . 17420 1 37 . 1 1 4 4 ILE CD1 C 13 15.092 0.025 . 1 . . . A 4 ILE CD1 . 17420 1 38 . 1 1 4 4 ILE N N 15 123.347 0.026 . 1 . . . A 4 ILE N . 17420 1 39 . 1 1 5 5 THR H H 1 8.089 0.004 . 1 . . . A 5 THR H . 17420 1 40 . 1 1 5 5 THR HA H 1 5.380 0.003 . 1 . . . A 5 THR HA . 17420 1 41 . 1 1 5 5 THR HB H 1 3.698 0.003 . 1 . . . A 5 THR HB . 17420 1 42 . 1 1 5 5 THR HG21 H 1 0.994 0.006 . 1 . . . A 5 THR HG21 . 17420 1 43 . 1 1 5 5 THR HG22 H 1 0.994 0.006 . 1 . . . A 5 THR HG22 . 17420 1 44 . 1 1 5 5 THR HG23 H 1 0.994 0.006 . 1 . . . A 5 THR HG23 . 17420 1 45 . 1 1 5 5 THR C C 13 174.097 0.01 . 1 . . . A 5 THR C . 17420 1 46 . 1 1 5 5 THR CA C 13 61.445 0.149 . 1 . . . A 5 THR CA . 17420 1 47 . 1 1 5 5 THR CB C 13 70.979 0.082 . 1 . . . A 5 THR CB . 17420 1 48 . 1 1 5 5 THR CG2 C 13 22.182 0.031 . 1 . . . A 5 THR CG2 . 17420 1 49 . 1 1 5 5 THR N N 15 121.494 0.025 . 1 . . . A 5 THR N . 17420 1 50 . 1 1 6 6 VAL H H 1 9.248 0.005 . 1 . . . A 6 VAL H . 17420 1 51 . 1 1 6 6 VAL HA H 1 4.692 0.01 . 1 . . . A 6 VAL HA . 17420 1 52 . 1 1 6 6 VAL HB H 1 2.289 0.004 . 1 . . . A 6 VAL HB . 17420 1 53 . 1 1 6 6 VAL HG11 H 1 1.095 0.003 . 1 . . . A 6 VAL HG11 . 17420 1 54 . 1 1 6 6 VAL HG12 H 1 1.095 0.003 . 1 . . . A 6 VAL HG12 . 17420 1 55 . 1 1 6 6 VAL HG13 H 1 1.095 0.003 . 1 . . . A 6 VAL HG13 . 17420 1 56 . 1 1 6 6 VAL HG21 H 1 1.218 0.005 . 1 . . . A 6 VAL HG21 . 17420 1 57 . 1 1 6 6 VAL HG22 H 1 1.218 0.005 . 1 . . . A 6 VAL HG22 . 17420 1 58 . 1 1 6 6 VAL HG23 H 1 1.218 0.005 . 1 . . . A 6 VAL HG23 . 17420 1 59 . 1 1 6 6 VAL C C 13 173.181 0.01 . 1 . . . A 6 VAL C . 17420 1 60 . 1 1 6 6 VAL CA C 13 60.011 0.022 . 1 . . . A 6 VAL CA . 17420 1 61 . 1 1 6 6 VAL CB C 13 34.896 0.053 . 1 . . . A 6 VAL CB . 17420 1 62 . 1 1 6 6 VAL CG1 C 13 19.972 0.051 . 2 . . . A 6 VAL CG1 . 17420 1 63 . 1 1 6 6 VAL CG2 C 13 24.780 0.107 . 2 . . . A 6 VAL CG2 . 17420 1 64 . 1 1 6 6 VAL N N 15 120.387 0.034 . 1 . . . A 6 VAL N . 17420 1 65 . 1 1 7 7 GLU H H 1 8.122 0.003 . 1 . . . A 7 GLU H . 17420 1 66 . 1 1 7 7 GLU HA H 1 5.615 0.005 . 1 . . . A 7 GLU HA . 17420 1 67 . 1 1 7 7 GLU HG3 H 1 2.053 0.01 . 2 . . . A 7 GLU HG3 . 17420 1 68 . 1 1 7 7 GLU C C 13 175.691 0.01 . 1 . . . A 7 GLU C . 17420 1 69 . 1 1 7 7 GLU CA C 13 54.746 0.034 . 1 . . . A 7 GLU CA . 17420 1 70 . 1 1 7 7 GLU CB C 13 34.516 0.100 . 1 . . . A 7 GLU CB . 17420 1 71 . 1 1 7 7 GLU CG C 13 35.252 0.010 . 1 . . . A 7 GLU CG . 17420 1 72 . 1 1 7 7 GLU N N 15 118.268 0.021 . 1 . . . A 7 GLU N . 17420 1 73 . 1 1 8 8 VAL H H 1 8.821 0.004 . 1 . . . A 8 VAL H . 17420 1 74 . 1 1 8 8 VAL HA H 1 4.588 0.002 . 1 . . . A 8 VAL HA . 17420 1 75 . 1 1 8 8 VAL HB H 1 2.022 0.004 . 1 . . . A 8 VAL HB . 17420 1 76 . 1 1 8 8 VAL HG11 H 1 0.929 0.001 . 1 . . . A 8 VAL HG11 . 17420 1 77 . 1 1 8 8 VAL HG12 H 1 0.929 0.001 . 1 . . . A 8 VAL HG12 . 17420 1 78 . 1 1 8 8 VAL HG13 H 1 0.929 0.001 . 1 . . . A 8 VAL HG13 . 17420 1 79 . 1 1 8 8 VAL HG21 H 1 1.058 0.004 . 1 . . . A 8 VAL HG21 . 17420 1 80 . 1 1 8 8 VAL HG22 H 1 1.058 0.004 . 1 . . . A 8 VAL HG22 . 17420 1 81 . 1 1 8 8 VAL HG23 H 1 1.058 0.004 . 1 . . . A 8 VAL HG23 . 17420 1 82 . 1 1 8 8 VAL C C 13 172.487 0.01 . 1 . . . A 8 VAL C . 17420 1 83 . 1 1 8 8 VAL CA C 13 61.238 0.083 . 1 . . . A 8 VAL CA . 17420 1 84 . 1 1 8 8 VAL CB C 13 36.648 0.071 . 1 . . . A 8 VAL CB . 17420 1 85 . 1 1 8 8 VAL CG2 C 13 22.016 0.106 . 2 . . . A 8 VAL CG2 . 17420 1 86 . 1 1 8 8 VAL N N 15 119.158 0.017 . 1 . . . A 8 VAL N . 17420 1 87 . 1 1 9 9 THR H H 1 8.475 0.004 . 1 . . . A 9 THR H . 17420 1 88 . 1 1 9 9 THR HA H 1 4.834 0.002 . 1 . . . A 9 THR HA . 17420 1 89 . 1 1 9 9 THR HB H 1 3.779 0.01 . 1 . . . A 9 THR HB . 17420 1 90 . 1 1 9 9 THR HG21 H 1 0.758 0.006 . 1 . . . A 9 THR HG21 . 17420 1 91 . 1 1 9 9 THR HG22 H 1 0.758 0.006 . 1 . . . A 9 THR HG22 . 17420 1 92 . 1 1 9 9 THR HG23 H 1 0.758 0.006 . 1 . . . A 9 THR HG23 . 17420 1 93 . 1 1 9 9 THR C C 13 172.242 0.01 . 1 . . . A 9 THR C . 17420 1 94 . 1 1 9 9 THR CA C 13 62.731 0.098 . 1 . . . A 9 THR CA . 17420 1 95 . 1 1 9 9 THR CB C 13 70.248 0.038 . 1 . . . A 9 THR CB . 17420 1 96 . 1 1 9 9 THR CG2 C 13 21.457 0.032 . 1 . . . A 9 THR CG2 . 17420 1 97 . 1 1 9 9 THR N N 15 121.866 0.018 . 1 . . . A 9 THR N . 17420 1 98 . 1 1 10 10 VAL H H 1 9.640 0.006 . 1 . . . A 10 VAL H . 17420 1 99 . 1 1 10 10 VAL HA H 1 4.243 0.004 . 1 . . . A 10 VAL HA . 17420 1 100 . 1 1 10 10 VAL HB H 1 2.027 0.01 . 1 . . . A 10 VAL HB . 17420 1 101 . 1 1 10 10 VAL HG11 H 1 0.928 0.01 . 1 . . . A 10 VAL HG11 . 17420 1 102 . 1 1 10 10 VAL HG12 H 1 0.928 0.01 . 1 . . . A 10 VAL HG12 . 17420 1 103 . 1 1 10 10 VAL HG13 H 1 0.928 0.01 . 1 . . . A 10 VAL HG13 . 17420 1 104 . 1 1 10 10 VAL HG21 H 1 0.917 0.006 . 1 . . . A 10 VAL HG21 . 17420 1 105 . 1 1 10 10 VAL HG22 H 1 0.917 0.006 . 1 . . . A 10 VAL HG22 . 17420 1 106 . 1 1 10 10 VAL HG23 H 1 0.917 0.006 . 1 . . . A 10 VAL HG23 . 17420 1 107 . 1 1 10 10 VAL C C 13 175.153 0.01 . 1 . . . A 10 VAL C . 17420 1 108 . 1 1 10 10 VAL CA C 13 60.161 0.030 . 1 . . . A 10 VAL CA . 17420 1 109 . 1 1 10 10 VAL CB C 13 34.191 0.100 . 1 . . . A 10 VAL CB . 17420 1 110 . 1 1 10 10 VAL CG1 C 13 21.924 0.107 . 2 . . . A 10 VAL CG1 . 17420 1 111 . 1 1 10 10 VAL CG2 C 13 22.493 0.103 . 2 . . . A 10 VAL CG2 . 17420 1 112 . 1 1 10 10 VAL N N 15 127.000 0.031 . 1 . . . A 10 VAL N . 17420 1 113 . 1 1 11 11 TYR H H 1 10.329 0.004 . 1 . . . A 11 TYR H . 17420 1 114 . 1 1 11 11 TYR HA H 1 4.844 0.01 . 1 . . . A 11 TYR HA . 17420 1 115 . 1 1 11 11 TYR HB2 H 1 3.086 0.004 . 2 . . . A 11 TYR HB2 . 17420 1 116 . 1 1 11 11 TYR HB3 H 1 2.595 0.001 . 2 . . . A 11 TYR HB3 . 17420 1 117 . 1 1 11 11 TYR HD2 H 1 7.125 0.01 . 3 . . . A 11 TYR HD2 . 17420 1 118 . 1 1 11 11 TYR HE2 H 1 6.746 0.01 . 3 . . . A 11 TYR HE2 . 17420 1 119 . 1 1 11 11 TYR C C 13 174.748 0.01 . 1 . . . A 11 TYR C . 17420 1 120 . 1 1 11 11 TYR CA C 13 57.787 0.021 . 1 . . . A 11 TYR CA . 17420 1 121 . 1 1 11 11 TYR CB C 13 34.854 0.055 . 1 . . . A 11 TYR CB . 17420 1 122 . 1 1 11 11 TYR CE2 C 13 117.844 0.028 . 3 . . . A 11 TYR CE2 . 17420 1 123 . 1 1 11 11 TYR N N 15 133.086 0.018 . 1 . . . A 11 TYR N . 17420 1 124 . 1 1 12 12 ALA H H 1 8.087 0.003 . 1 . . . A 12 ALA H . 17420 1 125 . 1 1 12 12 ALA HA H 1 4.324 0.004 . 1 . . . A 12 ALA HA . 17420 1 126 . 1 1 12 12 ALA HB1 H 1 1.053 0.003 . 1 . . . A 12 ALA HB1 . 17420 1 127 . 1 1 12 12 ALA HB2 H 1 1.053 0.003 . 1 . . . A 12 ALA HB2 . 17420 1 128 . 1 1 12 12 ALA HB3 H 1 1.053 0.003 . 1 . . . A 12 ALA HB3 . 17420 1 129 . 1 1 12 12 ALA C C 13 174.223 0.01 . 1 . . . A 12 ALA C . 17420 1 130 . 1 1 12 12 ALA CA C 13 51.234 0.113 . 1 . . . A 12 ALA CA . 17420 1 131 . 1 1 12 12 ALA CB C 13 23.064 0.078 . 1 . . . A 12 ALA CB . 17420 1 132 . 1 1 12 12 ALA N N 15 123.531 0.016 . 1 . . . A 12 ALA N . 17420 1 133 . 1 1 13 13 ALA H H 1 8.290 0.004 . 1 . . . A 13 ALA H . 17420 1 134 . 1 1 13 13 ALA HA H 1 4.277 0.004 . 1 . . . A 13 ALA HA . 17420 1 135 . 1 1 13 13 ALA HB1 H 1 1.483 0.006 . 1 . . . A 13 ALA HB1 . 17420 1 136 . 1 1 13 13 ALA HB2 H 1 1.483 0.006 . 1 . . . A 13 ALA HB2 . 17420 1 137 . 1 1 13 13 ALA HB3 H 1 1.483 0.006 . 1 . . . A 13 ALA HB3 . 17420 1 138 . 1 1 13 13 ALA C C 13 179.567 0.01 . 1 . . . A 13 ALA C . 17420 1 139 . 1 1 13 13 ALA CA C 13 51.445 0.093 . 1 . . . A 13 ALA CA . 17420 1 140 . 1 1 13 13 ALA CB C 13 19.915 0.096 . 1 . . . A 13 ALA CB . 17420 1 141 . 1 1 13 13 ALA N N 15 121.417 0.020 . 1 . . . A 13 ALA N . 17420 1 142 . 1 1 14 14 ILE H H 1 8.522 0.008 . 1 . . . A 14 ILE H . 17420 1 143 . 1 1 14 14 ILE HA H 1 4.059 0.007 . 1 . . . A 14 ILE HA . 17420 1 144 . 1 1 14 14 ILE HB H 1 1.360 0.003 . 1 . . . A 14 ILE HB . 17420 1 145 . 1 1 14 14 ILE HG12 H 1 0.859 0.009 . 1 . . . A 14 ILE HG12 . 17420 1 146 . 1 1 14 14 ILE HG13 H 1 0.859 0.009 . 1 . . . A 14 ILE HG13 . 17420 1 147 . 1 1 14 14 ILE HG21 H 1 0.296 0.004 . 1 . . . A 14 ILE HG21 . 17420 1 148 . 1 1 14 14 ILE HG22 H 1 0.296 0.004 . 1 . . . A 14 ILE HG22 . 17420 1 149 . 1 1 14 14 ILE HG23 H 1 0.296 0.004 . 1 . . . A 14 ILE HG23 . 17420 1 150 . 1 1 14 14 ILE HD11 H 1 0.816 0.01 . 1 . . . A 14 ILE HD11 . 17420 1 151 . 1 1 14 14 ILE HD12 H 1 0.816 0.01 . 1 . . . A 14 ILE HD12 . 17420 1 152 . 1 1 14 14 ILE HD13 H 1 0.816 0.01 . 1 . . . A 14 ILE HD13 . 17420 1 153 . 1 1 14 14 ILE C C 13 174.902 0.01 . 1 . . . A 14 ILE C . 17420 1 154 . 1 1 14 14 ILE CA C 13 61.088 0.152 . 1 . . . A 14 ILE CA . 17420 1 155 . 1 1 14 14 ILE CB C 13 37.445 0.063 . 1 . . . A 14 ILE CB . 17420 1 156 . 1 1 14 14 ILE CG1 C 13 29.454 0.071 . 1 . . . A 14 ILE CG1 . 17420 1 157 . 1 1 14 14 ILE CG2 C 13 17.944 0.046 . 1 . . . A 14 ILE CG2 . 17420 1 158 . 1 1 14 14 ILE CD1 C 13 15.180 0.040 . 1 . . . A 14 ILE CD1 . 17420 1 159 . 1 1 14 14 ILE N N 15 121.967 0.017 . 1 . . . A 14 ILE N . 17420 1 160 . 1 1 15 15 GLU H H 1 8.649 0.005 . 1 . . . A 15 GLU H . 17420 1 161 . 1 1 15 15 GLU HA H 1 3.877 0.001 . 1 . . . A 15 GLU HA . 17420 1 162 . 1 1 15 15 GLU HB2 H 1 1.871 0.01 . 2 . . . A 15 GLU HB2 . 17420 1 163 . 1 1 15 15 GLU HB3 H 1 1.871 0.01 . 2 . . . A 15 GLU HB3 . 17420 1 164 . 1 1 15 15 GLU HG2 H 1 2.299 0.01 . 2 . . . A 15 GLU HG2 . 17420 1 165 . 1 1 15 15 GLU HG3 H 1 2.128 0.01 . 2 . . . A 15 GLU HG3 . 17420 1 166 . 1 1 15 15 GLU C C 13 179.373 0.01 . 1 . . . A 15 GLU C . 17420 1 167 . 1 1 15 15 GLU CA C 13 60.488 0.047 . 1 . . . A 15 GLU CA . 17420 1 168 . 1 1 15 15 GLU CB C 13 28.251 0.009 . 1 . . . A 15 GLU CB . 17420 1 169 . 1 1 15 15 GLU CG C 13 36.977 0.044 . 1 . . . A 15 GLU CG . 17420 1 170 . 1 1 15 15 GLU N N 15 120.557 0.018 . 1 . . . A 15 GLU N . 17420 1 171 . 1 1 16 16 LYS H H 1 6.926 0.006 . 1 . . . A 16 LYS H . 17420 1 172 . 1 1 16 16 LYS HA H 1 3.842 0.003 . 1 . . . A 16 LYS HA . 17420 1 173 . 1 1 16 16 LYS HB2 H 1 1.739 0.01 . 2 . . . A 16 LYS HB2 . 17420 1 174 . 1 1 16 16 LYS HB3 H 1 1.540 0.01 . 2 . . . A 16 LYS HB3 . 17420 1 175 . 1 1 16 16 LYS HG2 H 1 0.875 0.01 . 2 . . . A 16 LYS HG2 . 17420 1 176 . 1 1 16 16 LYS HG3 H 1 0.586 0.003 . 2 . . . A 16 LYS HG3 . 17420 1 177 . 1 1 16 16 LYS C C 13 176.859 0.01 . 1 . . . A 16 LYS C . 17420 1 178 . 1 1 16 16 LYS CA C 13 58.647 0.030 . 1 . . . A 16 LYS CA . 17420 1 179 . 1 1 16 16 LYS CB C 13 32.505 0.085 . 1 . . . A 16 LYS CB . 17420 1 180 . 1 1 16 16 LYS CG C 13 24.529 0.142 . 1 . . . A 16 LYS CG . 17420 1 181 . 1 1 16 16 LYS N N 15 119.167 0.010 . 1 . . . A 16 LYS N . 17420 1 182 . 1 1 17 17 VAL H H 1 7.857 0.007 . 1 . . . A 17 VAL H . 17420 1 183 . 1 1 17 17 VAL HA H 1 3.542 0.002 . 1 . . . A 17 VAL HA . 17420 1 184 . 1 1 17 17 VAL HB H 1 2.227 0.01 . 1 . . . A 17 VAL HB . 17420 1 185 . 1 1 17 17 VAL HG11 H 1 0.942 0.004 . 1 . . . A 17 VAL HG11 . 17420 1 186 . 1 1 17 17 VAL HG12 H 1 0.942 0.004 . 1 . . . A 17 VAL HG12 . 17420 1 187 . 1 1 17 17 VAL HG13 H 1 0.942 0.004 . 1 . . . A 17 VAL HG13 . 17420 1 188 . 1 1 17 17 VAL HG21 H 1 1.218 0.005 . 1 . . . A 17 VAL HG21 . 17420 1 189 . 1 1 17 17 VAL HG22 H 1 1.218 0.005 . 1 . . . A 17 VAL HG22 . 17420 1 190 . 1 1 17 17 VAL HG23 H 1 1.218 0.005 . 1 . . . A 17 VAL HG23 . 17420 1 191 . 1 1 17 17 VAL C C 13 176.729 0.01 . 1 . . . A 17 VAL C . 17420 1 192 . 1 1 17 17 VAL CA C 13 67.333 0.131 . 1 . . . A 17 VAL CA . 17420 1 193 . 1 1 17 17 VAL CB C 13 31.760 0.047 . 1 . . . A 17 VAL CB . 17420 1 194 . 1 1 17 17 VAL CG1 C 13 24.281 0.198 . 2 . . . A 17 VAL CG1 . 17420 1 195 . 1 1 17 17 VAL CG2 C 13 21.572 0.104 . 2 . . . A 17 VAL CG2 . 17420 1 196 . 1 1 17 17 VAL N N 15 118.316 0.019 . 1 . . . A 17 VAL N . 17420 1 197 . 1 1 18 18 TRP H H 1 9.432 0.005 . 1 . . . A 18 TRP H . 17420 1 198 . 1 1 18 18 TRP HA H 1 3.689 0.003 . 1 . . . A 18 TRP HA . 17420 1 199 . 1 1 18 18 TRP HB2 H 1 3.018 0.003 . 2 . . . A 18 TRP HB2 . 17420 1 200 . 1 1 18 18 TRP HB3 H 1 3.018 0.003 . 2 . . . A 18 TRP HB3 . 17420 1 201 . 1 1 18 18 TRP HD1 H 1 7.137 0.003 . 1 . . . A 18 TRP HD1 . 17420 1 202 . 1 1 18 18 TRP HE1 H 1 10.155 0.007 . 1 . . . A 18 TRP HE1 . 17420 1 203 . 1 1 18 18 TRP HZ2 H 1 7.198 0.006 . 1 . . . A 18 TRP HZ2 . 17420 1 204 . 1 1 18 18 TRP HZ3 H 1 6.216 0.002 . 1 . . . A 18 TRP HZ3 . 17420 1 205 . 1 1 18 18 TRP HH2 H 1 6.955 0.006 . 1 . . . A 18 TRP HH2 . 17420 1 206 . 1 1 18 18 TRP C C 13 178.378 0.01 . 1 . . . A 18 TRP C . 17420 1 207 . 1 1 18 18 TRP CA C 13 60.935 0.067 . 1 . . . A 18 TRP CA . 17420 1 208 . 1 1 18 18 TRP CB C 13 29.430 0.049 . 1 . . . A 18 TRP CB . 17420 1 209 . 1 1 18 18 TRP CD1 C 13 128.334 0.01 . 1 . . . A 18 TRP CD1 . 17420 1 210 . 1 1 18 18 TRP CZ2 C 13 114.634 0.054 . 1 . . . A 18 TRP CZ2 . 17420 1 211 . 1 1 18 18 TRP CZ3 C 13 122.226 0.01 . 1 . . . A 18 TRP CZ3 . 17420 1 212 . 1 1 18 18 TRP CH2 C 13 124.636 0.01 . 1 . . . A 18 TRP CH2 . 17420 1 213 . 1 1 18 18 TRP N N 15 118.599 0.032 . 1 . . . A 18 TRP N . 17420 1 214 . 1 1 18 18 TRP NE1 N 15 129.905 0.01 . 1 . . . A 18 TRP NE1 . 17420 1 215 . 1 1 19 19 LYS H H 1 7.167 0.007 . 1 . . . A 19 LYS H . 17420 1 216 . 1 1 19 19 LYS HA H 1 4.288 0.01 . 1 . . . A 19 LYS HA . 17420 1 217 . 1 1 19 19 LYS HG2 H 1 1.803 0.01 . 2 . . . A 19 LYS HG2 . 17420 1 218 . 1 1 19 19 LYS HG3 H 1 1.528 0.01 . 2 . . . A 19 LYS HG3 . 17420 1 219 . 1 1 19 19 LYS C C 13 177.868 0.01 . 1 . . . A 19 LYS C . 17420 1 220 . 1 1 19 19 LYS CA C 13 59.601 0.052 . 1 . . . A 19 LYS CA . 17420 1 221 . 1 1 19 19 LYS CB C 13 32.874 0.061 . 1 . . . A 19 LYS CB . 17420 1 222 . 1 1 19 19 LYS CG C 13 24.853 0.156 . 1 . . . A 19 LYS CG . 17420 1 223 . 1 1 19 19 LYS N N 15 117.678 0.025 . 1 . . . A 19 LYS N . 17420 1 224 . 1 1 20 20 TYR H H 1 8.690 0.003 . 1 . . . A 20 TYR H . 17420 1 225 . 1 1 20 20 TYR HA H 1 4.482 0.006 . 1 . . . A 20 TYR HA . 17420 1 226 . 1 1 20 20 TYR HB2 H 1 3.354 0.005 . 2 . . . A 20 TYR HB2 . 17420 1 227 . 1 1 20 20 TYR HB3 H 1 3.044 0.01 . 2 . . . A 20 TYR HB3 . 17420 1 228 . 1 1 20 20 TYR HD1 H 1 6.399 0.001 . 3 . . . A 20 TYR HD1 . 17420 1 229 . 1 1 20 20 TYR HE1 H 1 5.344 0.006 . 3 . . . A 20 TYR HE1 . 17420 1 230 . 1 1 20 20 TYR C C 13 177.687 0.01 . 1 . . . A 20 TYR C . 17420 1 231 . 1 1 20 20 TYR CA C 13 58.438 0.032 . 1 . . . A 20 TYR CA . 17420 1 232 . 1 1 20 20 TYR CB C 13 36.917 0.132 . 1 . . . A 20 TYR CB . 17420 1 233 . 1 1 20 20 TYR CD1 C 13 130.618 0.014 . 3 . . . A 20 TYR CD1 . 17420 1 234 . 1 1 20 20 TYR CE1 C 13 128.880 0.01 . 3 . . . A 20 TYR CE1 . 17420 1 235 . 1 1 20 20 TYR N N 15 118.877 0.022 . 1 . . . A 20 TYR N . 17420 1 236 . 1 1 21 21 TRP H H 1 9.097 0.003 . 1 . . . A 21 TRP H . 17420 1 237 . 1 1 21 21 TRP HA H 1 4.001 0.005 . 1 . . . A 21 TRP HA . 17420 1 238 . 1 1 21 21 TRP HB2 H 1 3.043 0.010 . 2 . . . A 21 TRP HB2 . 17420 1 239 . 1 1 21 21 TRP HB3 H 1 2.633 0.002 . 2 . . . A 21 TRP HB3 . 17420 1 240 . 1 1 21 21 TRP HD1 H 1 6.366 0.006 . 1 . . . A 21 TRP HD1 . 17420 1 241 . 1 1 21 21 TRP HE1 H 1 9.319 0.006 . 1 . . . A 21 TRP HE1 . 17420 1 242 . 1 1 21 21 TRP HZ2 H 1 7.187 0.005 . 1 . . . A 21 TRP HZ2 . 17420 1 243 . 1 1 21 21 TRP HZ3 H 1 5.651 0.004 . 1 . . . A 21 TRP HZ3 . 17420 1 244 . 1 1 21 21 TRP HH2 H 1 6.689 0.017 . 1 . . . A 21 TRP HH2 . 17420 1 245 . 1 1 21 21 TRP C C 13 174.868 0.01 . 1 . . . A 21 TRP C . 17420 1 246 . 1 1 21 21 TRP CA C 13 59.744 0.050 . 1 . . . A 21 TRP CA . 17420 1 247 . 1 1 21 21 TRP CB C 13 29.439 0.035 . 1 . . . A 21 TRP CB . 17420 1 248 . 1 1 21 21 TRP CD1 C 13 126.021 0.01 . 1 . . . A 21 TRP CD1 . 17420 1 249 . 1 1 21 21 TRP CZ2 C 13 113.048 0.025 . 1 . . . A 21 TRP CZ2 . 17420 1 250 . 1 1 21 21 TRP CZ3 C 13 121.119 0.01 . 1 . . . A 21 TRP CZ3 . 17420 1 251 . 1 1 21 21 TRP CH2 C 13 122.913 0.039 . 1 . . . A 21 TRP CH2 . 17420 1 252 . 1 1 21 21 TRP N N 15 118.289 0.022 . 1 . . . A 21 TRP N . 17420 1 253 . 1 1 21 21 TRP NE1 N 15 126.501 0.01 . 1 . . . A 21 TRP NE1 . 17420 1 254 . 1 1 22 22 ASN H H 1 6.847 0.004 . 1 . . . A 22 ASN H . 17420 1 255 . 1 1 22 22 ASN HA H 1 4.566 0.01 . 1 . . . A 22 ASN HA . 17420 1 256 . 1 1 22 22 ASN HB2 H 1 2.507 0.01 . 2 . . . A 22 ASN HB2 . 17420 1 257 . 1 1 22 22 ASN HB3 H 1 2.251 0.001 . 2 . . . A 22 ASN HB3 . 17420 1 258 . 1 1 22 22 ASN HD21 H 1 6.115 0.01 . 2 . . . A 22 ASN HD21 . 17420 1 259 . 1 1 22 22 ASN HD22 H 1 3.114 0.01 . 2 . . . A 22 ASN HD22 . 17420 1 260 . 1 1 22 22 ASN C C 13 177.081 0.01 . 1 . . . A 22 ASN C . 17420 1 261 . 1 1 22 22 ASN CA C 13 54.538 0.077 . 1 . . . A 22 ASN CA . 17420 1 262 . 1 1 22 22 ASN CB C 13 42.789 0.077 . 1 . . . A 22 ASN CB . 17420 1 263 . 1 1 22 22 ASN N N 15 107.768 0.039 . 1 . . . A 22 ASN N . 17420 1 264 . 1 1 22 22 ASN ND2 N 15 107.767 0.003 . 1 . . . A 22 ASN ND2 . 17420 1 265 . 1 1 23 23 GLU H H 1 8.319 0.003 . 1 . . . A 23 GLU H . 17420 1 266 . 1 1 23 23 GLU CA C 13 54.838 0.01 . 1 . . . A 23 GLU CA . 17420 1 267 . 1 1 23 23 GLU CB C 13 30.059 0.01 . 1 . . . A 23 GLU CB . 17420 1 268 . 1 1 23 23 GLU N N 15 123.247 0.027 . 1 . . . A 23 GLU N . 17420 1 269 . 1 1 24 24 PRO HA H 1 3.853 0.005 . 1 . . . A 24 PRO HA . 17420 1 270 . 1 1 24 24 PRO C C 13 175.391 0.01 . 1 . . . A 24 PRO C . 17420 1 271 . 1 1 24 24 PRO CA C 13 66.621 0.023 . 1 . . . A 24 PRO CA . 17420 1 272 . 1 1 24 24 PRO CB C 13 32.501 0.153 . 1 . . . A 24 PRO CB . 17420 1 273 . 1 1 24 24 PRO CG C 13 28.396 0.01 . 1 . . . A 24 PRO CG . 17420 1 274 . 1 1 24 24 PRO CD C 13 51.427 0.01 . 1 . . . A 24 PRO CD . 17420 1 275 . 1 1 25 25 ALA H H 1 8.714 0.004 . 1 . . . A 25 ALA H . 17420 1 276 . 1 1 25 25 ALA HA H 1 3.906 0.002 . 1 . . . A 25 ALA HA . 17420 1 277 . 1 1 25 25 ALA HB1 H 1 1.107 0.004 . 1 . . . A 25 ALA HB1 . 17420 1 278 . 1 1 25 25 ALA HB2 H 1 1.107 0.004 . 1 . . . A 25 ALA HB2 . 17420 1 279 . 1 1 25 25 ALA HB3 H 1 1.107 0.004 . 1 . . . A 25 ALA HB3 . 17420 1 280 . 1 1 25 25 ALA C C 13 179.684 0.01 . 1 . . . A 25 ALA C . 17420 1 281 . 1 1 25 25 ALA CA C 13 55.063 0.045 . 1 . . . A 25 ALA CA . 17420 1 282 . 1 1 25 25 ALA CB C 13 18.487 0.090 . 1 . . . A 25 ALA CB . 17420 1 283 . 1 1 25 25 ALA N N 15 115.991 0.019 . 1 . . . A 25 ALA N . 17420 1 284 . 1 1 26 26 HIS H H 1 7.418 0.003 . 1 . . . A 26 HIS H . 17420 1 285 . 1 1 26 26 HIS HA H 1 4.535 0.01 . 1 . . . A 26 HIS HA . 17420 1 286 . 1 1 26 26 HIS HB2 H 1 3.644 0.003 . 2 . . . A 26 HIS HB2 . 17420 1 287 . 1 1 26 26 HIS HB3 H 1 3.257 0.01 . 2 . . . A 26 HIS HB3 . 17420 1 288 . 1 1 26 26 HIS C C 13 176.941 0.01 . 1 . . . A 26 HIS C . 17420 1 289 . 1 1 26 26 HIS CA C 13 58.887 0.025 . 1 . . . A 26 HIS CA . 17420 1 290 . 1 1 26 26 HIS CB C 13 32.497 0.176 . 1 . . . A 26 HIS CB . 17420 1 291 . 1 1 26 26 HIS N N 15 113.553 0.035 . 1 . . . A 26 HIS N . 17420 1 292 . 1 1 27 27 ILE H H 1 8.207 0.003 . 1 . . . A 27 ILE H . 17420 1 293 . 1 1 27 27 ILE HA H 1 1.921 0.004 . 1 . . . A 27 ILE HA . 17420 1 294 . 1 1 27 27 ILE HB H 1 1.230 0.002 . 1 . . . A 27 ILE HB . 17420 1 295 . 1 1 27 27 ILE HG12 H 1 1.315 0.007 . 2 . . . A 27 ILE HG12 . 17420 1 296 . 1 1 27 27 ILE HG13 H 1 0.531 0.008 . 2 . . . A 27 ILE HG13 . 17420 1 297 . 1 1 27 27 ILE HG21 H 1 0.084 0.011 . 1 . . . A 27 ILE HG21 . 17420 1 298 . 1 1 27 27 ILE HG22 H 1 0.084 0.011 . 1 . . . A 27 ILE HG22 . 17420 1 299 . 1 1 27 27 ILE HG23 H 1 0.084 0.011 . 1 . . . A 27 ILE HG23 . 17420 1 300 . 1 1 27 27 ILE HD11 H 1 0.418 0.002 . 1 . . . A 27 ILE HD11 . 17420 1 301 . 1 1 27 27 ILE HD12 H 1 0.418 0.002 . 1 . . . A 27 ILE HD12 . 17420 1 302 . 1 1 27 27 ILE HD13 H 1 0.418 0.002 . 1 . . . A 27 ILE HD13 . 17420 1 303 . 1 1 27 27 ILE C C 13 176.912 0.01 . 1 . . . A 27 ILE C . 17420 1 304 . 1 1 27 27 ILE CA C 13 65.508 0.072 . 1 . . . A 27 ILE CA . 17420 1 305 . 1 1 27 27 ILE CB C 13 38.749 0.056 . 1 . . . A 27 ILE CB . 17420 1 306 . 1 1 27 27 ILE CG1 C 13 28.941 0.079 . 1 . . . A 27 ILE CG1 . 17420 1 307 . 1 1 27 27 ILE CG2 C 13 17.124 0.031 . 1 . . . A 27 ILE CG2 . 17420 1 308 . 1 1 27 27 ILE CD1 C 13 13.552 0.01 . 1 . . . A 27 ILE CD1 . 17420 1 309 . 1 1 27 27 ILE N N 15 124.022 0.026 . 1 . . . A 27 ILE N . 17420 1 310 . 1 1 28 28 MET H H 1 7.655 0.003 . 1 . . . A 28 MET H . 17420 1 311 . 1 1 28 28 MET HA H 1 3.566 0.002 . 1 . . . A 28 MET HA . 17420 1 312 . 1 1 28 28 MET HB2 H 1 2.223 0.01 . 2 . . . A 28 MET HB2 . 17420 1 313 . 1 1 28 28 MET HB3 H 1 2.084 0.01 . 2 . . . A 28 MET HB3 . 17420 1 314 . 1 1 28 28 MET HE1 H 1 1.941 0.01 . 1 . . . A 28 MET HE1 . 17420 1 315 . 1 1 28 28 MET HE2 H 1 1.941 0.01 . 1 . . . A 28 MET HE2 . 17420 1 316 . 1 1 28 28 MET HE3 H 1 1.941 0.01 . 1 . . . A 28 MET HE3 . 17420 1 317 . 1 1 28 28 MET C C 13 175.717 0.01 . 1 . . . A 28 MET C . 17420 1 318 . 1 1 28 28 MET CA C 13 57.950 0.044 . 1 . . . A 28 MET CA . 17420 1 319 . 1 1 28 28 MET CB C 13 33.990 0.007 . 1 . . . A 28 MET CB . 17420 1 320 . 1 1 28 28 MET CG C 13 33.106 0.01 . 1 . . . A 28 MET CG . 17420 1 321 . 1 1 28 28 MET CE C 13 16.521 0.01 . 1 . . . A 28 MET CE . 17420 1 322 . 1 1 28 28 MET N N 15 110.582 0.012 . 1 . . . A 28 MET N . 17420 1 323 . 1 1 29 29 LYS H H 1 7.739 0.005 . 1 . . . A 29 LYS H . 17420 1 324 . 1 1 29 29 LYS HA H 1 4.336 0.01 . 1 . . . A 29 LYS HA . 17420 1 325 . 1 1 29 29 LYS HG2 H 1 1.615 0.01 . 2 . . . A 29 LYS HG2 . 17420 1 326 . 1 1 29 29 LYS HG3 H 1 1.391 0.01 . 2 . . . A 29 LYS HG3 . 17420 1 327 . 1 1 29 29 LYS HD2 H 1 1.746 0.01 . 2 . . . A 29 LYS HD2 . 17420 1 328 . 1 1 29 29 LYS HD3 H 1 1.746 0.01 . 2 . . . A 29 LYS HD3 . 17420 1 329 . 1 1 29 29 LYS C C 13 177.875 0.01 . 1 . . . A 29 LYS C . 17420 1 330 . 1 1 29 29 LYS CA C 13 56.128 0.019 . 1 . . . A 29 LYS CA . 17420 1 331 . 1 1 29 29 LYS CB C 13 34.019 0.042 . 1 . . . A 29 LYS CB . 17420 1 332 . 1 1 29 29 LYS CG C 13 24.447 0.164 . 1 . . . A 29 LYS CG . 17420 1 333 . 1 1 29 29 LYS CD C 13 28.523 0.006 . 1 . . . A 29 LYS CD . 17420 1 334 . 1 1 29 29 LYS CE C 13 42.441 0.01 . 1 . . . A 29 LYS CE . 17420 1 335 . 1 1 29 29 LYS N N 15 116.606 0.016 . 1 . . . A 29 LYS N . 17420 1 336 . 1 1 30 30 TRP H H 1 6.811 0.005 . 1 . . . A 30 TRP H . 17420 1 337 . 1 1 30 30 TRP HA H 1 4.721 0.01 . 1 . . . A 30 TRP HA . 17420 1 338 . 1 1 30 30 TRP HB2 H 1 3.335 0.01 . 2 . . . A 30 TRP HB2 . 17420 1 339 . 1 1 30 30 TRP HB3 H 1 2.412 0.01 . 2 . . . A 30 TRP HB3 . 17420 1 340 . 1 1 30 30 TRP HD1 H 1 6.507 0.002 . 1 . . . A 30 TRP HD1 . 17420 1 341 . 1 1 30 30 TRP HE1 H 1 10.131 0.01 . 1 . . . A 30 TRP HE1 . 17420 1 342 . 1 1 30 30 TRP HE3 H 1 7.271 0.003 . 1 . . . A 30 TRP HE3 . 17420 1 343 . 1 1 30 30 TRP HZ2 H 1 7.111 0.001 . 1 . . . A 30 TRP HZ2 . 17420 1 344 . 1 1 30 30 TRP HZ3 H 1 6.447 0.002 . 1 . . . A 30 TRP HZ3 . 17420 1 345 . 1 1 30 30 TRP HH2 H 1 5.221 0.002 . 1 . . . A 30 TRP HH2 . 17420 1 346 . 1 1 30 30 TRP C C 13 177.536 0.01 . 1 . . . A 30 TRP C . 17420 1 347 . 1 1 30 30 TRP CA C 13 56.207 0.01 . 1 . . . A 30 TRP CA . 17420 1 348 . 1 1 30 30 TRP CB C 13 31.939 0.009 . 1 . . . A 30 TRP CB . 17420 1 349 . 1 1 30 30 TRP CD1 C 13 130.460 0.009 . 1 . . . A 30 TRP CD1 . 17420 1 350 . 1 1 30 30 TRP CE3 C 13 119.957 0.036 . 1 . . . A 30 TRP CE3 . 17420 1 351 . 1 1 30 30 TRP CZ2 C 13 115.656 0.042 . 1 . . . A 30 TRP CZ2 . 17420 1 352 . 1 1 30 30 TRP CZ3 C 13 122.030 0.033 . 1 . . . A 30 TRP CZ3 . 17420 1 353 . 1 1 30 30 TRP CH2 C 13 124.789 0.005 . 1 . . . A 30 TRP CH2 . 17420 1 354 . 1 1 30 30 TRP N N 15 112.611 0.016 . 1 . . . A 30 TRP N . 17420 1 355 . 1 1 30 30 TRP NE1 N 15 128.218 0.01 . 1 . . . A 30 TRP NE1 . 17420 1 356 . 1 1 31 31 CYS H H 1 7.305 0.004 . 1 . . . A 31 CYS H . 17420 1 357 . 1 1 31 31 CYS HA H 1 4.055 0.01 . 1 . . . A 31 CYS HA . 17420 1 358 . 1 1 31 31 CYS C C 13 170.121 0.01 . 1 . . . A 31 CYS C . 17420 1 359 . 1 1 31 31 CYS CA C 13 60.526 0.039 . 1 . . . A 31 CYS CA . 17420 1 360 . 1 1 31 31 CYS CB C 13 24.642 0.013 . 1 . . . A 31 CYS CB . 17420 1 361 . 1 1 31 31 CYS N N 15 126.522 0.028 . 1 . . . A 31 CYS N . 17420 1 362 . 1 1 32 32 GLN H H 1 8.007 0.003 . 1 . . . A 32 GLN H . 17420 1 363 . 1 1 32 32 GLN HA H 1 4.397 0.002 . 1 . . . A 32 GLN HA . 17420 1 364 . 1 1 32 32 GLN HG2 H 1 2.272 0.01 . 2 . . . A 32 GLN HG2 . 17420 1 365 . 1 1 32 32 GLN HG3 H 1 2.039 0.01 . 2 . . . A 32 GLN HG3 . 17420 1 366 . 1 1 32 32 GLN C C 13 175.231 0.01 . 1 . . . A 32 GLN C . 17420 1 367 . 1 1 32 32 GLN CA C 13 54.232 0.024 . 1 . . . A 32 GLN CA . 17420 1 368 . 1 1 32 32 GLN CB C 13 29.706 0.211 . 1 . . . A 32 GLN CB . 17420 1 369 . 1 1 32 32 GLN CG C 13 31.430 0.044 . 1 . . . A 32 GLN CG . 17420 1 370 . 1 1 32 32 GLN N N 15 116.734 0.102 . 1 . . . A 32 GLN N . 17420 1 371 . 1 1 33 33 ALA H H 1 8.663 0.014 . 1 . . . A 33 ALA H . 17420 1 372 . 1 1 33 33 ALA HA H 1 3.971 0.011 . 1 . . . A 33 ALA HA . 17420 1 373 . 1 1 33 33 ALA HB1 H 1 1.066 0.017 . 1 . . . A 33 ALA HB1 . 17420 1 374 . 1 1 33 33 ALA HB2 H 1 1.066 0.017 . 1 . . . A 33 ALA HB2 . 17420 1 375 . 1 1 33 33 ALA HB3 H 1 1.066 0.017 . 1 . . . A 33 ALA HB3 . 17420 1 376 . 1 1 33 33 ALA C C 13 176.210 0.01 . 1 . . . A 33 ALA C . 17420 1 377 . 1 1 33 33 ALA CA C 13 52.363 0.095 . 1 . . . A 33 ALA CA . 17420 1 378 . 1 1 33 33 ALA CB C 13 19.313 0.079 . 1 . . . A 33 ALA CB . 17420 1 379 . 1 1 33 33 ALA N N 15 123.132 0.011 . 1 . . . A 33 ALA N . 17420 1 380 . 1 1 34 34 SER H H 1 7.398 0.005 . 1 . . . A 34 SER H . 17420 1 381 . 1 1 34 34 SER HA H 1 4.899 0.009 . 1 . . . A 34 SER HA . 17420 1 382 . 1 1 34 34 SER HB2 H 1 4.110 0.001 . 2 . . . A 34 SER HB2 . 17420 1 383 . 1 1 34 34 SER HB3 H 1 3.619 0.003 . 2 . . . A 34 SER HB3 . 17420 1 384 . 1 1 34 34 SER CA C 13 55.177 0.033 . 1 . . . A 34 SER CA . 17420 1 385 . 1 1 34 34 SER CB C 13 64.585 0.049 . 1 . . . A 34 SER CB . 17420 1 386 . 1 1 34 34 SER N N 15 111.877 0.016 . 1 . . . A 34 SER N . 17420 1 387 . 1 1 35 35 PRO HA H 1 4.670 0.01 . 1 . . . A 35 PRO HA . 17420 1 388 . 1 1 35 35 PRO HG2 H 1 2.042 0.01 . 2 . . . A 35 PRO HG2 . 17420 1 389 . 1 1 35 35 PRO HG3 H 1 2.042 0.01 . 2 . . . A 35 PRO HG3 . 17420 1 390 . 1 1 35 35 PRO HD2 H 1 3.872 0.006 . 2 . . . A 35 PRO HD2 . 17420 1 391 . 1 1 35 35 PRO HD3 H 1 3.872 0.006 . 2 . . . A 35 PRO HD3 . 17420 1 392 . 1 1 35 35 PRO C C 13 176.568 0.01 . 1 . . . A 35 PRO C . 17420 1 393 . 1 1 35 35 PRO CA C 13 64.096 0.047 . 1 . . . A 35 PRO CA . 17420 1 394 . 1 1 35 35 PRO CB C 13 31.850 0.01 . 1 . . . A 35 PRO CB . 17420 1 395 . 1 1 35 35 PRO CG C 13 27.424 0.016 . 1 . . . A 35 PRO CG . 17420 1 396 . 1 1 35 35 PRO CD C 13 51.156 0.050 . 1 . . . A 35 PRO CD . 17420 1 397 . 1 1 36 36 GLU H H 1 8.157 0.003 . 1 . . . A 36 GLU H . 17420 1 398 . 1 1 36 36 GLU HA H 1 4.389 0.003 . 1 . . . A 36 GLU HA . 17420 1 399 . 1 1 36 36 GLU HB2 H 1 2.221 0.01 . 2 . . . A 36 GLU HB2 . 17420 1 400 . 1 1 36 36 GLU HB3 H 1 1.945 0.01 . 2 . . . A 36 GLU HB3 . 17420 1 401 . 1 1 36 36 GLU HG2 H 1 2.268 0.01 . 2 . . . A 36 GLU HG2 . 17420 1 402 . 1 1 36 36 GLU HG3 H 1 2.268 0.01 . 2 . . . A 36 GLU HG3 . 17420 1 403 . 1 1 36 36 GLU C C 13 175.389 0.01 . 1 . . . A 36 GLU C . 17420 1 404 . 1 1 36 36 GLU CA C 13 56.747 0.009 . 1 . . . A 36 GLU CA . 17420 1 405 . 1 1 36 36 GLU CB C 13 29.175 0.083 . 1 . . . A 36 GLU CB . 17420 1 406 . 1 1 36 36 GLU CG C 13 36.862 0.01 . 1 . . . A 36 GLU CG . 17420 1 407 . 1 1 36 36 GLU N N 15 115.186 0.020 . 1 . . . A 36 GLU N . 17420 1 408 . 1 1 37 37 TRP H H 1 8.177 0.011 . 1 . . . A 37 TRP H . 17420 1 409 . 1 1 37 37 TRP HA H 1 5.125 0.005 . 1 . . . A 37 TRP HA . 17420 1 410 . 1 1 37 37 TRP HB2 H 1 3.406 0.002 . 2 . . . A 37 TRP HB2 . 17420 1 411 . 1 1 37 37 TRP HB3 H 1 3.091 0.002 . 2 . . . A 37 TRP HB3 . 17420 1 412 . 1 1 37 37 TRP HD1 H 1 7.085 0.001 . 1 . . . A 37 TRP HD1 . 17420 1 413 . 1 1 37 37 TRP HE1 H 1 10.308 0.010 . 1 . . . A 37 TRP HE1 . 17420 1 414 . 1 1 37 37 TRP HZ2 H 1 7.509 0.003 . 1 . . . A 37 TRP HZ2 . 17420 1 415 . 1 1 37 37 TRP HZ3 H 1 6.763 0.009 . 1 . . . A 37 TRP HZ3 . 17420 1 416 . 1 1 37 37 TRP HH2 H 1 7.074 0.002 . 1 . . . A 37 TRP HH2 . 17420 1 417 . 1 1 37 37 TRP C C 13 173.121 0.01 . 1 . . . A 37 TRP C . 17420 1 418 . 1 1 37 37 TRP CA C 13 57.184 0.048 . 1 . . . A 37 TRP CA . 17420 1 419 . 1 1 37 37 TRP CB C 13 32.709 0.087 . 1 . . . A 37 TRP CB . 17420 1 420 . 1 1 37 37 TRP CD1 C 13 125.597 0.01 . 1 . . . A 37 TRP CD1 . 17420 1 421 . 1 1 37 37 TRP CZ2 C 13 114.679 0.057 . 1 . . . A 37 TRP CZ2 . 17420 1 422 . 1 1 37 37 TRP CZ3 C 13 120.694 0.01 . 1 . . . A 37 TRP CZ3 . 17420 1 423 . 1 1 37 37 TRP CH2 C 13 124.054 0.048 . 1 . . . A 37 TRP CH2 . 17420 1 424 . 1 1 37 37 TRP N N 15 123.569 0.021 . 1 . . . A 37 TRP N . 17420 1 425 . 1 1 37 37 TRP NE1 N 15 130.337 0.01 . 1 . . . A 37 TRP NE1 . 17420 1 426 . 1 1 38 38 HIS H H 1 9.630 0.003 . 1 . . . A 38 HIS H . 17420 1 427 . 1 1 38 38 HIS HA H 1 5.051 0.006 . 1 . . . A 38 HIS HA . 17420 1 428 . 1 1 38 38 HIS HB2 H 1 3.258 0.013 . 2 . . . A 38 HIS HB2 . 17420 1 429 . 1 1 38 38 HIS HB3 H 1 2.957 0.007 . 2 . . . A 38 HIS HB3 . 17420 1 430 . 1 1 38 38 HIS C C 13 173.714 0.01 . 1 . . . A 38 HIS C . 17420 1 431 . 1 1 38 38 HIS CA C 13 54.263 0.072 . 1 . . . A 38 HIS CA . 17420 1 432 . 1 1 38 38 HIS CB C 13 33.356 0.100 . 1 . . . A 38 HIS CB . 17420 1 433 . 1 1 38 38 HIS N N 15 115.814 0.023 . 1 . . . A 38 HIS N . 17420 1 434 . 1 1 39 39 VAL H H 1 8.113 0.002 . 1 . . . A 39 VAL H . 17420 1 435 . 1 1 39 39 VAL HA H 1 5.199 0.003 . 1 . . . A 39 VAL HA . 17420 1 436 . 1 1 39 39 VAL HB H 1 2.041 0.01 . 1 . . . A 39 VAL HB . 17420 1 437 . 1 1 39 39 VAL HG11 H 1 0.624 0.001 . 1 . . . A 39 VAL HG11 . 17420 1 438 . 1 1 39 39 VAL HG12 H 1 0.624 0.001 . 1 . . . A 39 VAL HG12 . 17420 1 439 . 1 1 39 39 VAL HG13 H 1 0.624 0.001 . 1 . . . A 39 VAL HG13 . 17420 1 440 . 1 1 39 39 VAL HG21 H 1 0.660 0.003 . 1 . . . A 39 VAL HG21 . 17420 1 441 . 1 1 39 39 VAL HG22 H 1 0.660 0.003 . 1 . . . A 39 VAL HG22 . 17420 1 442 . 1 1 39 39 VAL HG23 H 1 0.660 0.003 . 1 . . . A 39 VAL HG23 . 17420 1 443 . 1 1 39 39 VAL CA C 13 58.272 0.042 . 1 . . . A 39 VAL CA . 17420 1 444 . 1 1 39 39 VAL CB C 13 32.944 0.01 . 1 . . . A 39 VAL CB . 17420 1 445 . 1 1 39 39 VAL CG1 C 13 21.570 0.01 . 2 . . . A 39 VAL CG1 . 17420 1 446 . 1 1 39 39 VAL CG2 C 13 23.217 0.047 . 2 . . . A 39 VAL CG2 . 17420 1 447 . 1 1 39 39 VAL N N 15 121.440 0.050 . 1 . . . A 39 VAL N . 17420 1 448 . 1 1 40 40 PRO HA H 1 4.121 0.005 . 1 . . . A 40 PRO HA . 17420 1 449 . 1 1 40 40 PRO HB2 H 1 1.738 0.007 . 2 . . . A 40 PRO HB2 . 17420 1 450 . 1 1 40 40 PRO HB3 H 1 2.014 0.01 . 2 . . . A 40 PRO HB3 . 17420 1 451 . 1 1 40 40 PRO HG2 H 1 1.540 0.01 . 2 . . . A 40 PRO HG2 . 17420 1 452 . 1 1 40 40 PRO HG3 H 1 1.421 0.01 . 2 . . . A 40 PRO HG3 . 17420 1 453 . 1 1 40 40 PRO HD2 H 1 3.773 0.001 . 2 . . . A 40 PRO HD2 . 17420 1 454 . 1 1 40 40 PRO HD3 H 1 2.383 0.01 . 2 . . . A 40 PRO HD3 . 17420 1 455 . 1 1 40 40 PRO C C 13 175.956 0.01 . 1 . . . A 40 PRO C . 17420 1 456 . 1 1 40 40 PRO CA C 13 63.165 0.037 . 1 . . . A 40 PRO CA . 17420 1 457 . 1 1 40 40 PRO CB C 13 32.550 0.074 . 1 . . . A 40 PRO CB . 17420 1 458 . 1 1 40 40 PRO CG C 13 26.613 0.057 . 1 . . . A 40 PRO CG . 17420 1 459 . 1 1 40 40 PRO CD C 13 49.963 0.096 . 1 . . . A 40 PRO CD . 17420 1 460 . 1 1 41 41 ALA H H 1 6.866 0.006 . 1 . . . A 41 ALA H . 17420 1 461 . 1 1 41 41 ALA HA H 1 4.433 0.002 . 1 . . . A 41 ALA HA . 17420 1 462 . 1 1 41 41 ALA HB1 H 1 1.167 0.005 . 1 . . . A 41 ALA HB1 . 17420 1 463 . 1 1 41 41 ALA HB2 H 1 1.167 0.005 . 1 . . . A 41 ALA HB2 . 17420 1 464 . 1 1 41 41 ALA HB3 H 1 1.167 0.005 . 1 . . . A 41 ALA HB3 . 17420 1 465 . 1 1 41 41 ALA C C 13 173.731 0.01 . 1 . . . A 41 ALA C . 17420 1 466 . 1 1 41 41 ALA CA C 13 52.307 0.090 . 1 . . . A 41 ALA CA . 17420 1 467 . 1 1 41 41 ALA CB C 13 21.936 0.098 . 1 . . . A 41 ALA CB . 17420 1 468 . 1 1 41 41 ALA N N 15 116.839 0.015 . 1 . . . A 41 ALA N . 17420 1 469 . 1 1 42 42 ALA H H 1 7.910 0.005 . 1 . . . A 42 ALA H . 17420 1 470 . 1 1 42 42 ALA HA H 1 4.960 0.006 . 1 . . . A 42 ALA HA . 17420 1 471 . 1 1 42 42 ALA HB1 H 1 1.175 0.01 . 1 . . . A 42 ALA HB1 . 17420 1 472 . 1 1 42 42 ALA HB2 H 1 1.175 0.01 . 1 . . . A 42 ALA HB2 . 17420 1 473 . 1 1 42 42 ALA HB3 H 1 1.175 0.01 . 1 . . . A 42 ALA HB3 . 17420 1 474 . 1 1 42 42 ALA C C 13 174.675 0.01 . 1 . . . A 42 ALA C . 17420 1 475 . 1 1 42 42 ALA CA C 13 52.137 0.070 . 1 . . . A 42 ALA CA . 17420 1 476 . 1 1 42 42 ALA CB C 13 21.754 0.073 . 1 . . . A 42 ALA CB . 17420 1 477 . 1 1 42 42 ALA N N 15 120.622 0.019 . 1 . . . A 42 ALA N . 17420 1 478 . 1 1 43 43 GLN H H 1 8.963 0.004 . 1 . . . A 43 GLN H . 17420 1 479 . 1 1 43 43 GLN HA H 1 4.572 0.01 . 1 . . . A 43 GLN HA . 17420 1 480 . 1 1 43 43 GLN HB2 H 1 2.096 0.01 . 2 . . . A 43 GLN HB2 . 17420 1 481 . 1 1 43 43 GLN HB3 H 1 1.906 0.01 . 2 . . . A 43 GLN HB3 . 17420 1 482 . 1 1 43 43 GLN HG2 H 1 2.286 0.01 . 2 . . . A 43 GLN HG2 . 17420 1 483 . 1 1 43 43 GLN HG3 H 1 2.286 0.01 . 2 . . . A 43 GLN HG3 . 17420 1 484 . 1 1 43 43 GLN C C 13 175.375 0.01 . 1 . . . A 43 GLN C . 17420 1 485 . 1 1 43 43 GLN CA C 13 54.689 0.047 . 1 . . . A 43 GLN CA . 17420 1 486 . 1 1 43 43 GLN CB C 13 32.301 0.039 . 1 . . . A 43 GLN CB . 17420 1 487 . 1 1 43 43 GLN CG C 13 33.408 0.01 . 1 . . . A 43 GLN CG . 17420 1 488 . 1 1 43 43 GLN N N 15 118.382 0.022 . 1 . . . A 43 GLN N . 17420 1 489 . 1 1 44 44 ASN H H 1 9.283 0.004 . 1 . . . A 44 ASN H . 17420 1 490 . 1 1 44 44 ASN HA H 1 5.124 0.002 . 1 . . . A 44 ASN HA . 17420 1 491 . 1 1 44 44 ASN HB2 H 1 2.898 0.01 . 2 . . . A 44 ASN HB2 . 17420 1 492 . 1 1 44 44 ASN HB3 H 1 2.515 0.01 . 2 . . . A 44 ASN HB3 . 17420 1 493 . 1 1 44 44 ASN HD21 H 1 8.627 0.006 . 2 . . . A 44 ASN HD21 . 17420 1 494 . 1 1 44 44 ASN HD22 H 1 6.191 0.003 . 2 . . . A 44 ASN HD22 . 17420 1 495 . 1 1 44 44 ASN C C 13 172.131 0.01 . 1 . . . A 44 ASN C . 17420 1 496 . 1 1 44 44 ASN CA C 13 53.691 0.047 . 1 . . . A 44 ASN CA . 17420 1 497 . 1 1 44 44 ASN CB C 13 40.471 0.031 . 1 . . . A 44 ASN CB . 17420 1 498 . 1 1 44 44 ASN N N 15 122.736 0.010 . 1 . . . A 44 ASN N . 17420 1 499 . 1 1 44 44 ASN ND2 N 15 109.758 0.056 . 1 . . . A 44 ASN ND2 . 17420 1 500 . 1 1 45 45 ASP H H 1 8.274 0.006 . 1 . . . A 45 ASP H . 17420 1 501 . 1 1 45 45 ASP HA H 1 4.833 0.01 . 1 . . . A 45 ASP HA . 17420 1 502 . 1 1 45 45 ASP HB2 H 1 3.339 0.010 . 2 . . . A 45 ASP HB2 . 17420 1 503 . 1 1 45 45 ASP HB3 H 1 2.625 0.016 . 2 . . . A 45 ASP HB3 . 17420 1 504 . 1 1 45 45 ASP C C 13 174.148 0.01 . 1 . . . A 45 ASP C . 17420 1 505 . 1 1 45 45 ASP CA C 13 52.901 0.044 . 1 . . . A 45 ASP CA . 17420 1 506 . 1 1 45 45 ASP CB C 13 40.205 0.095 . 1 . . . A 45 ASP CB . 17420 1 507 . 1 1 45 45 ASP N N 15 128.812 0.025 . 1 . . . A 45 ASP N . 17420 1 508 . 1 1 46 46 LEU H H 1 7.700 0.007 . 1 . . . A 46 LEU H . 17420 1 509 . 1 1 46 46 LEU HA H 1 3.894 0.005 . 1 . . . A 46 LEU HA . 17420 1 510 . 1 1 46 46 LEU HB2 H 1 1.905 0.002 . 2 . . . A 46 LEU HB2 . 17420 1 511 . 1 1 46 46 LEU HB3 H 1 0.815 0.01 . 2 . . . A 46 LEU HB3 . 17420 1 512 . 1 1 46 46 LEU HG H 1 1.204 0.001 . 1 . . . A 46 LEU HG . 17420 1 513 . 1 1 46 46 LEU HD11 H 1 0.123 0.008 . 1 . . . A 46 LEU HD11 . 17420 1 514 . 1 1 46 46 LEU HD12 H 1 0.123 0.008 . 1 . . . A 46 LEU HD12 . 17420 1 515 . 1 1 46 46 LEU HD13 H 1 0.123 0.008 . 1 . . . A 46 LEU HD13 . 17420 1 516 . 1 1 46 46 LEU HD21 H 1 0.668 0.003 . 1 . . . A 46 LEU HD21 . 17420 1 517 . 1 1 46 46 LEU HD22 H 1 0.668 0.003 . 1 . . . A 46 LEU HD22 . 17420 1 518 . 1 1 46 46 LEU HD23 H 1 0.668 0.003 . 1 . . . A 46 LEU HD23 . 17420 1 519 . 1 1 46 46 LEU C C 13 174.426 0.01 . 1 . . . A 46 LEU C . 17420 1 520 . 1 1 46 46 LEU CA C 13 55.018 0.081 . 1 . . . A 46 LEU CA . 17420 1 521 . 1 1 46 46 LEU CB C 13 41.099 0.064 . 1 . . . A 46 LEU CB . 17420 1 522 . 1 1 46 46 LEU CG C 13 26.803 0.01 . 1 . . . A 46 LEU CG . 17420 1 523 . 1 1 46 46 LEU CD1 C 13 22.520 0.091 . 2 . . . A 46 LEU CD1 . 17420 1 524 . 1 1 46 46 LEU CD2 C 13 26.114 0.045 . 2 . . . A 46 LEU CD2 . 17420 1 525 . 1 1 46 46 LEU N N 15 122.478 0.010 . 1 . . . A 46 LEU N . 17420 1 526 . 1 1 47 47 LYS H H 1 8.036 0.008 . 1 . . . A 47 LYS H . 17420 1 527 . 1 1 47 47 LYS HA H 1 4.285 0.01 . 1 . . . A 47 LYS HA . 17420 1 528 . 1 1 47 47 LYS C C 13 175.127 0.01 . 1 . . . A 47 LYS C . 17420 1 529 . 1 1 47 47 LYS CA C 13 55.122 0.029 . 1 . . . A 47 LYS CA . 17420 1 530 . 1 1 47 47 LYS CB C 13 33.864 0.076 . 1 . . . A 47 LYS CB . 17420 1 531 . 1 1 47 47 LYS CG C 13 21.802 0.01 . 1 . . . A 47 LYS CG . 17420 1 532 . 1 1 47 47 LYS N N 15 124.658 0.027 . 1 . . . A 47 LYS N . 17420 1 533 . 1 1 48 48 ALA H H 1 9.182 0.007 . 1 . . . A 48 ALA H . 17420 1 534 . 1 1 48 48 ALA HA H 1 3.851 0.006 . 1 . . . A 48 ALA HA . 17420 1 535 . 1 1 48 48 ALA HB1 H 1 1.453 0.004 . 1 . . . A 48 ALA HB1 . 17420 1 536 . 1 1 48 48 ALA HB2 H 1 1.453 0.004 . 1 . . . A 48 ALA HB2 . 17420 1 537 . 1 1 48 48 ALA HB3 H 1 1.453 0.004 . 1 . . . A 48 ALA HB3 . 17420 1 538 . 1 1 48 48 ALA C C 13 178.698 0.01 . 1 . . . A 48 ALA C . 17420 1 539 . 1 1 48 48 ALA CA C 13 54.840 0.106 . 1 . . . A 48 ALA CA . 17420 1 540 . 1 1 48 48 ALA CB C 13 17.607 0.043 . 1 . . . A 48 ALA CB . 17420 1 541 . 1 1 48 48 ALA N N 15 125.349 0.031 . 1 . . . A 48 ALA N . 17420 1 542 . 1 1 49 49 GLY H H 1 9.124 0.004 . 1 . . . A 49 GLY H . 17420 1 543 . 1 1 49 49 GLY HA2 H 1 3.717 0.001 . 1 . . . A 49 GLY HA2 . 17420 1 544 . 1 1 49 49 GLY HA3 H 1 4.352 0.003 . 2 . . . A 49 GLY HA3 . 17420 1 545 . 1 1 49 49 GLY C C 13 174.543 0.01 . 1 . . . A 49 GLY C . 17420 1 546 . 1 1 49 49 GLY CA C 13 45.686 0.050 . 1 . . . A 49 GLY CA . 17420 1 547 . 1 1 49 49 GLY N N 15 113.498 0.020 . 1 . . . A 49 GLY N . 17420 1 548 . 1 1 50 50 GLY H H 1 8.948 0.003 . 1 . . . A 50 GLY H . 17420 1 549 . 1 1 50 50 GLY HA2 H 1 4.408 0.01 . 1 . . . A 50 GLY HA2 . 17420 1 550 . 1 1 50 50 GLY HA3 H 1 4.499 0.01 . 2 . . . A 50 GLY HA3 . 17420 1 551 . 1 1 50 50 GLY C C 13 172.146 0.01 . 1 . . . A 50 GLY C . 17420 1 552 . 1 1 50 50 GLY CA C 13 44.363 0.042 . 1 . . . A 50 GLY CA . 17420 1 553 . 1 1 50 50 GLY N N 15 110.570 0.011 . 1 . . . A 50 GLY N . 17420 1 554 . 1 1 51 51 THR H H 1 8.357 0.004 . 1 . . . A 51 THR H . 17420 1 555 . 1 1 51 51 THR HA H 1 5.206 0.006 . 1 . . . A 51 THR HA . 17420 1 556 . 1 1 51 51 THR HB H 1 4.054 0.002 . 1 . . . A 51 THR HB . 17420 1 557 . 1 1 51 51 THR HG21 H 1 1.097 0.01 . 1 . . . A 51 THR HG21 . 17420 1 558 . 1 1 51 51 THR HG22 H 1 1.097 0.01 . 1 . . . A 51 THR HG22 . 17420 1 559 . 1 1 51 51 THR HG23 H 1 1.097 0.01 . 1 . . . A 51 THR HG23 . 17420 1 560 . 1 1 51 51 THR C C 13 173.950 0.01 . 1 . . . A 51 THR C . 17420 1 561 . 1 1 51 51 THR CA C 13 60.553 0.030 . 1 . . . A 51 THR CA . 17420 1 562 . 1 1 51 51 THR CB C 13 72.277 0.044 . 1 . . . A 51 THR CB . 17420 1 563 . 1 1 51 51 THR CG2 C 13 22.004 0.066 . 1 . . . A 51 THR CG2 . 17420 1 564 . 1 1 51 51 THR N N 15 111.412 0.029 . 1 . . . A 51 THR N . 17420 1 565 . 1 1 52 52 PHE H H 1 7.817 0.003 . 1 . . . A 52 PHE H . 17420 1 566 . 1 1 52 52 PHE HA H 1 5.079 0.003 . 1 . . . A 52 PHE HA . 17420 1 567 . 1 1 52 52 PHE HB2 H 1 3.228 0.007 . 2 . . . A 52 PHE HB2 . 17420 1 568 . 1 1 52 52 PHE HB3 H 1 2.995 0.005 . 2 . . . A 52 PHE HB3 . 17420 1 569 . 1 1 52 52 PHE HD1 H 1 6.295 0.002 . 3 . . . A 52 PHE HD1 . 17420 1 570 . 1 1 52 52 PHE HE1 H 1 5.863 0.012 . 3 . . . A 52 PHE HE1 . 17420 1 571 . 1 1 52 52 PHE C C 13 173.891 0.01 . 1 . . . A 52 PHE C . 17420 1 572 . 1 1 52 52 PHE CA C 13 56.136 0.065 . 1 . . . A 52 PHE CA . 17420 1 573 . 1 1 52 52 PHE CB C 13 42.343 0.054 . 1 . . . A 52 PHE CB . 17420 1 574 . 1 1 52 52 PHE CD1 C 13 132.031 0.056 . 3 . . . A 52 PHE CD1 . 17420 1 575 . 1 1 52 52 PHE CE1 C 13 129.647 0.004 . 3 . . . A 52 PHE CE1 . 17420 1 576 . 1 1 52 52 PHE N N 15 118.437 0.019 . 1 . . . A 52 PHE N . 17420 1 577 . 1 1 53 53 THR H H 1 8.295 0.004 . 1 . . . A 53 THR H . 17420 1 578 . 1 1 53 53 THR HB H 1 3.762 0.003 . 1 . . . A 53 THR HB . 17420 1 579 . 1 1 53 53 THR HG21 H 1 0.903 0.002 . 1 . . . A 53 THR HG21 . 17420 1 580 . 1 1 53 53 THR HG22 H 1 0.903 0.002 . 1 . . . A 53 THR HG22 . 17420 1 581 . 1 1 53 53 THR HG23 H 1 0.903 0.002 . 1 . . . A 53 THR HG23 . 17420 1 582 . 1 1 53 53 THR C C 13 172.831 0.01 . 1 . . . A 53 THR C . 17420 1 583 . 1 1 53 53 THR CA C 13 62.012 0.01 . 1 . . . A 53 THR CA . 17420 1 584 . 1 1 53 53 THR CB C 13 71.842 0.092 . 1 . . . A 53 THR CB . 17420 1 585 . 1 1 53 53 THR CG2 C 13 21.423 0.003 . 1 . . . A 53 THR CG2 . 17420 1 586 . 1 1 53 53 THR N N 15 115.320 0.017 . 1 . . . A 53 THR N . 17420 1 587 . 1 1 54 54 THR H H 1 9.770 0.010 . 1 . . . A 54 THR H . 17420 1 588 . 1 1 54 54 THR HA H 1 4.424 0.01 . 1 . . . A 54 THR HA . 17420 1 589 . 1 1 54 54 THR HB H 1 4.075 0.01 . 1 . . . A 54 THR HB . 17420 1 590 . 1 1 54 54 THR HG21 H 1 1.111 0.01 . 1 . . . A 54 THR HG21 . 17420 1 591 . 1 1 54 54 THR HG22 H 1 1.111 0.01 . 1 . . . A 54 THR HG22 . 17420 1 592 . 1 1 54 54 THR HG23 H 1 1.111 0.01 . 1 . . . A 54 THR HG23 . 17420 1 593 . 1 1 54 54 THR C C 13 173.225 0.01 . 1 . . . A 54 THR C . 17420 1 594 . 1 1 54 54 THR CA C 13 62.043 0.040 . 1 . . . A 54 THR CA . 17420 1 595 . 1 1 54 54 THR CB C 13 70.856 0.038 . 1 . . . A 54 THR CB . 17420 1 596 . 1 1 54 54 THR CG2 C 13 23.842 0.01 . 1 . . . A 54 THR CG2 . 17420 1 597 . 1 1 54 54 THR N N 15 128.201 0.012 . 1 . . . A 54 THR N . 17420 1 598 . 1 1 55 55 THR H H 1 8.610 0.003 . 1 . . . A 55 THR H . 17420 1 599 . 1 1 55 55 THR HA H 1 4.742 0.01 . 1 . . . A 55 THR HA . 17420 1 600 . 1 1 55 55 THR HB H 1 3.757 0.002 . 1 . . . A 55 THR HB . 17420 1 601 . 1 1 55 55 THR HG21 H 1 0.985 0.01 . 1 . . . A 55 THR HG21 . 17420 1 602 . 1 1 55 55 THR HG22 H 1 0.985 0.01 . 1 . . . A 55 THR HG22 . 17420 1 603 . 1 1 55 55 THR HG23 H 1 0.985 0.01 . 1 . . . A 55 THR HG23 . 17420 1 604 . 1 1 55 55 THR C C 13 171.845 0.01 . 1 . . . A 55 THR C . 17420 1 605 . 1 1 55 55 THR CA C 13 63.304 0.017 . 1 . . . A 55 THR CA . 17420 1 606 . 1 1 55 55 THR CB C 13 69.703 0.092 . 1 . . . A 55 THR CB . 17420 1 607 . 1 1 55 55 THR CG2 C 13 21.676 0.095 . 1 . . . A 55 THR CG2 . 17420 1 608 . 1 1 55 55 THR N N 15 126.561 0.046 . 1 . . . A 55 THR N . 17420 1 609 . 1 1 56 56 MET H H 1 8.785 0.004 . 1 . . . A 56 MET H . 17420 1 610 . 1 1 56 56 MET HA H 1 4.811 0.01 . 1 . . . A 56 MET HA . 17420 1 611 . 1 1 56 56 MET HG2 H 1 2.322 0.01 . 2 . . . A 56 MET HG2 . 17420 1 612 . 1 1 56 56 MET HG3 H 1 2.322 0.01 . 2 . . . A 56 MET HG3 . 17420 1 613 . 1 1 56 56 MET HE1 H 1 1.581 0.004 . 1 . . . A 56 MET HE1 . 17420 1 614 . 1 1 56 56 MET HE2 H 1 1.581 0.004 . 1 . . . A 56 MET HE2 . 17420 1 615 . 1 1 56 56 MET HE3 H 1 1.581 0.004 . 1 . . . A 56 MET HE3 . 17420 1 616 . 1 1 56 56 MET C C 13 174.029 0.01 . 1 . . . A 56 MET C . 17420 1 617 . 1 1 56 56 MET CA C 13 54.354 0.001 . 1 . . . A 56 MET CA . 17420 1 618 . 1 1 56 56 MET CB C 13 33.939 0.065 . 1 . . . A 56 MET CB . 17420 1 619 . 1 1 56 56 MET CG C 13 32.844 0.01 . 1 . . . A 56 MET CG . 17420 1 620 . 1 1 56 56 MET CE C 13 17.716 0.039 . 1 . . . A 56 MET CE . 17420 1 621 . 1 1 56 56 MET N N 15 125.646 0.025 . 1 . . . A 56 MET N . 17420 1 622 . 1 1 57 57 ALA H H 1 8.714 0.004 . 1 . . . A 57 ALA H . 17420 1 623 . 1 1 57 57 ALA HA H 1 4.768 0.01 . 1 . . . A 57 ALA HA . 17420 1 624 . 1 1 57 57 ALA HB1 H 1 1.028 0.002 . 1 . . . A 57 ALA HB1 . 17420 1 625 . 1 1 57 57 ALA HB2 H 1 1.028 0.002 . 1 . . . A 57 ALA HB2 . 17420 1 626 . 1 1 57 57 ALA HB3 H 1 1.028 0.002 . 1 . . . A 57 ALA HB3 . 17420 1 627 . 1 1 57 57 ALA C C 13 175.565 0.01 . 1 . . . A 57 ALA C . 17420 1 628 . 1 1 57 57 ALA CA C 13 50.563 0.116 . 1 . . . A 57 ALA CA . 17420 1 629 . 1 1 57 57 ALA CB C 13 22.978 0.057 . 1 . . . A 57 ALA CB . 17420 1 630 . 1 1 57 57 ALA N N 15 123.591 0.014 . 1 . . . A 57 ALA N . 17420 1 631 . 1 1 58 58 ALA H H 1 7.526 0.005 . 1 . . . A 58 ALA H . 17420 1 632 . 1 1 58 58 ALA HA H 1 3.172 0.008 . 1 . . . A 58 ALA HA . 17420 1 633 . 1 1 58 58 ALA HB1 H 1 0.823 0.006 . 1 . . . A 58 ALA HB1 . 17420 1 634 . 1 1 58 58 ALA HB2 H 1 0.823 0.006 . 1 . . . A 58 ALA HB2 . 17420 1 635 . 1 1 58 58 ALA HB3 H 1 0.823 0.006 . 1 . . . A 58 ALA HB3 . 17420 1 636 . 1 1 58 58 ALA C C 13 180.315 0.01 . 1 . . . A 58 ALA C . 17420 1 637 . 1 1 58 58 ALA CA C 13 51.584 0.123 . 1 . . . A 58 ALA CA . 17420 1 638 . 1 1 58 58 ALA CB C 13 19.000 0.093 . 1 . . . A 58 ALA CB . 17420 1 639 . 1 1 58 58 ALA N N 15 125.242 0.030 . 1 . . . A 58 ALA N . 17420 1 640 . 1 1 59 59 LYS H H 1 8.854 0.004 . 1 . . . A 59 LYS H . 17420 1 641 . 1 1 59 59 LYS HA H 1 3.413 0.004 . 1 . . . A 59 LYS HA . 17420 1 642 . 1 1 59 59 LYS HB2 H 1 1.568 0.01 . 2 . . . A 59 LYS HB2 . 17420 1 643 . 1 1 59 59 LYS HB3 H 1 1.405 0.01 . 2 . . . A 59 LYS HB3 . 17420 1 644 . 1 1 59 59 LYS HG2 H 1 0.842 0.01 . 2 . . . A 59 LYS HG2 . 17420 1 645 . 1 1 59 59 LYS HG3 H 1 0.593 0.01 . 2 . . . A 59 LYS HG3 . 17420 1 646 . 1 1 59 59 LYS C C 13 176.880 0.01 . 1 . . . A 59 LYS C . 17420 1 647 . 1 1 59 59 LYS CA C 13 59.917 0.096 . 1 . . . A 59 LYS CA . 17420 1 648 . 1 1 59 59 LYS CB C 13 32.157 0.033 . 1 . . . A 59 LYS CB . 17420 1 649 . 1 1 59 59 LYS CG C 13 26.797 0.094 . 1 . . . A 59 LYS CG . 17420 1 650 . 1 1 59 59 LYS CD C 13 29.515 0.01 . 1 . . . A 59 LYS CD . 17420 1 651 . 1 1 59 59 LYS CE C 13 42.109 0.01 . 1 . . . A 59 LYS CE . 17420 1 652 . 1 1 59 59 LYS N N 15 125.916 0.020 . 1 . . . A 59 LYS N . 17420 1 653 . 1 1 60 60 ASP H H 1 8.034 0.002 . 1 . . . A 60 ASP H . 17420 1 654 . 1 1 60 60 ASP HA H 1 4.313 0.002 . 1 . . . A 60 ASP HA . 17420 1 655 . 1 1 60 60 ASP HB2 H 1 3.003 0.01 . 2 . . . A 60 ASP HB2 . 17420 1 656 . 1 1 60 60 ASP HB3 H 1 2.468 0.001 . 2 . . . A 60 ASP HB3 . 17420 1 657 . 1 1 60 60 ASP C C 13 177.617 0.01 . 1 . . . A 60 ASP C . 17420 1 658 . 1 1 60 60 ASP CA C 13 53.484 0.034 . 1 . . . A 60 ASP CA . 17420 1 659 . 1 1 60 60 ASP CB C 13 39.530 0.029 . 1 . . . A 60 ASP CB . 17420 1 660 . 1 1 60 60 ASP N N 15 115.610 0.066 . 1 . . . A 60 ASP N . 17420 1 661 . 1 1 61 61 GLY H H 1 7.816 0.004 . 1 . . . A 61 GLY H . 17420 1 662 . 1 1 61 61 GLY HA2 H 1 3.718 0.002 . 1 . . . A 61 GLY HA2 . 17420 1 663 . 1 1 61 61 GLY HA3 H 1 4.059 0.001 . 2 . . . A 61 GLY HA3 . 17420 1 664 . 1 1 61 61 GLY C C 13 176.067 0.01 . 1 . . . A 61 GLY C . 17420 1 665 . 1 1 61 61 GLY CA C 13 45.700 0.027 . 1 . . . A 61 GLY CA . 17420 1 666 . 1 1 61 61 GLY N N 15 107.181 0.022 . 1 . . . A 61 GLY N . 17420 1 667 . 1 1 62 62 SER H H 1 8.253 0.005 . 1 . . . A 62 SER H . 17420 1 668 . 1 1 62 62 SER HB2 H 1 3.768 0.01 . 2 . . . A 62 SER HB2 . 17420 1 669 . 1 1 62 62 SER HB3 H 1 3.768 0.01 . 2 . . . A 62 SER HB3 . 17420 1 670 . 1 1 62 62 SER C C 13 174.456 0.01 . 1 . . . A 62 SER C . 17420 1 671 . 1 1 62 62 SER CA C 13 60.919 0.057 . 1 . . . A 62 SER CA . 17420 1 672 . 1 1 62 62 SER CB C 13 63.313 0.023 . 1 . . . A 62 SER CB . 17420 1 673 . 1 1 62 62 SER N N 15 115.018 0.025 . 1 . . . A 62 SER N . 17420 1 674 . 1 1 63 63 MET H H 1 6.788 0.004 . 1 . . . A 63 MET H . 17420 1 675 . 1 1 63 63 MET HA H 1 4.716 0.01 . 1 . . . A 63 MET HA . 17420 1 676 . 1 1 63 63 MET HB2 H 1 2.066 0.007 . 2 . . . A 63 MET HB2 . 17420 1 677 . 1 1 63 63 MET HB3 H 1 2.066 0.007 . 2 . . . A 63 MET HB3 . 17420 1 678 . 1 1 63 63 MET HG2 H 1 2.699 0.004 . 2 . . . A 63 MET HG2 . 17420 1 679 . 1 1 63 63 MET HG3 H 1 2.560 0.002 . 2 . . . A 63 MET HG3 . 17420 1 680 . 1 1 63 63 MET HE1 H 1 2.182 0.01 . 1 . . . A 63 MET HE1 . 17420 1 681 . 1 1 63 63 MET HE2 H 1 2.182 0.01 . 1 . . . A 63 MET HE2 . 17420 1 682 . 1 1 63 63 MET HE3 H 1 2.182 0.01 . 1 . . . A 63 MET HE3 . 17420 1 683 . 1 1 63 63 MET C C 13 174.025 0.01 . 1 . . . A 63 MET C . 17420 1 684 . 1 1 63 63 MET CA C 13 55.379 0.123 . 1 . . . A 63 MET CA . 17420 1 685 . 1 1 63 63 MET CB C 13 35.958 0.020 . 1 . . . A 63 MET CB . 17420 1 686 . 1 1 63 63 MET CG C 13 32.124 0.01 . 1 . . . A 63 MET CG . 17420 1 687 . 1 1 63 63 MET CE C 13 17.197 0.048 . 1 . . . A 63 MET CE . 17420 1 688 . 1 1 63 63 MET N N 15 117.872 0.018 . 1 . . . A 63 MET N . 17420 1 689 . 1 1 64 64 SER H H 1 8.295 0.004 . 1 . . . A 64 SER H . 17420 1 690 . 1 1 64 64 SER HA H 1 5.168 0.007 . 1 . . . A 64 SER HA . 17420 1 691 . 1 1 64 64 SER HB2 H 1 3.641 0.003 . 2 . . . A 64 SER HB2 . 17420 1 692 . 1 1 64 64 SER HB3 H 1 3.641 0.003 . 2 . . . A 64 SER HB3 . 17420 1 693 . 1 1 64 64 SER C C 13 172.463 0.01 . 1 . . . A 64 SER C . 17420 1 694 . 1 1 64 64 SER CA C 13 57.821 0.046 . 1 . . . A 64 SER CA . 17420 1 695 . 1 1 64 64 SER CB C 13 65.175 0.045 . 1 . . . A 64 SER CB . 17420 1 696 . 1 1 64 64 SER N N 15 117.090 0.010 . 1 . . . A 64 SER N . 17420 1 697 . 1 1 65 65 PHE H H 1 9.266 0.002 . 1 . . . A 65 PHE H . 17420 1 698 . 1 1 65 65 PHE HA H 1 4.887 0.01 . 1 . . . A 65 PHE HA . 17420 1 699 . 1 1 65 65 PHE HB2 H 1 3.240 0.004 . 2 . . . A 65 PHE HB2 . 17420 1 700 . 1 1 65 65 PHE HB3 H 1 3.074 0.003 . 2 . . . A 65 PHE HB3 . 17420 1 701 . 1 1 65 65 PHE HD1 H 1 7.099 0.001 . 3 . . . A 65 PHE HD1 . 17420 1 702 . 1 1 65 65 PHE C C 13 171.975 0.01 . 1 . . . A 65 PHE C . 17420 1 703 . 1 1 65 65 PHE CA C 13 56.877 0.076 . 1 . . . A 65 PHE CA . 17420 1 704 . 1 1 65 65 PHE CB C 13 41.510 0.058 . 1 . . . A 65 PHE CB . 17420 1 705 . 1 1 65 65 PHE CD1 C 13 132.145 0.01 . 3 . . . A 65 PHE CD1 . 17420 1 706 . 1 1 65 65 PHE N N 15 121.588 0.011 . 1 . . . A 65 PHE N . 17420 1 707 . 1 1 66 66 ASP H H 1 8.517 0.010 . 1 . . . A 66 ASP H . 17420 1 708 . 1 1 66 66 ASP HA H 1 5.142 0.006 . 1 . . . A 66 ASP HA . 17420 1 709 . 1 1 66 66 ASP HB2 H 1 2.467 0.009 . 2 . . . A 66 ASP HB2 . 17420 1 710 . 1 1 66 66 ASP HB3 H 1 2.203 0.007 . 2 . . . A 66 ASP HB3 . 17420 1 711 . 1 1 66 66 ASP C C 13 175.124 0.01 . 1 . . . A 66 ASP C . 17420 1 712 . 1 1 66 66 ASP CA C 13 53.156 0.049 . 1 . . . A 66 ASP CA . 17420 1 713 . 1 1 66 66 ASP CB C 13 41.366 0.046 . 1 . . . A 66 ASP CB . 17420 1 714 . 1 1 66 66 ASP N N 15 120.590 0.018 . 1 . . . A 66 ASP N . 17420 1 715 . 1 1 67 67 PHE H H 1 9.036 0.007 . 1 . . . A 67 PHE H . 17420 1 716 . 1 1 67 67 PHE HB2 H 1 3.193 0.01 . 2 . . . A 67 PHE HB2 . 17420 1 717 . 1 1 67 67 PHE HB3 H 1 3.003 0.004 . 2 . . . A 67 PHE HB3 . 17420 1 718 . 1 1 67 67 PHE HD2 H 1 7.267 0.01 . 3 . . . A 67 PHE HD2 . 17420 1 719 . 1 1 67 67 PHE C C 13 173.191 0.01 . 1 . . . A 67 PHE C . 17420 1 720 . 1 1 67 67 PHE CA C 13 56.618 0.041 . 1 . . . A 67 PHE CA . 17420 1 721 . 1 1 67 67 PHE CB C 13 40.935 0.113 . 1 . . . A 67 PHE CB . 17420 1 722 . 1 1 67 67 PHE CD2 C 13 131.637 0.01 . 3 . . . A 67 PHE CD2 . 17420 1 723 . 1 1 67 67 PHE N N 15 128.317 0.050 . 1 . . . A 67 PHE N . 17420 1 724 . 1 1 68 68 GLY H H 1 7.424 0.005 . 1 . . . A 68 GLY H . 17420 1 725 . 1 1 68 68 GLY HA2 H 1 3.419 0.001 . 1 . . . A 68 GLY HA2 . 17420 1 726 . 1 1 68 68 GLY HA3 H 1 3.598 0.01 . 2 . . . A 68 GLY HA3 . 17420 1 727 . 1 1 68 68 GLY C C 13 171.281 0.01 . 1 . . . A 68 GLY C . 17420 1 728 . 1 1 68 68 GLY CA C 13 44.903 0.048 . 1 . . . A 68 GLY CA . 17420 1 729 . 1 1 68 68 GLY N N 15 113.002 0.013 . 1 . . . A 68 GLY N . 17420 1 730 . 1 1 69 69 GLY H H 1 5.873 0.006 . 1 . . . A 69 GLY H . 17420 1 731 . 1 1 69 69 GLY HA2 H 1 3.248 0.001 . 1 . . . A 69 GLY HA2 . 17420 1 732 . 1 1 69 69 GLY HA3 H 1 3.920 0.009 . 2 . . . A 69 GLY HA3 . 17420 1 733 . 1 1 69 69 GLY C C 13 170.639 0.01 . 1 . . . A 69 GLY C . 17420 1 734 . 1 1 69 69 GLY CA C 13 45.320 0.072 . 1 . . . A 69 GLY CA . 17420 1 735 . 1 1 69 69 GLY N N 15 103.758 0.020 . 1 . . . A 69 GLY N . 17420 1 736 . 1 1 70 70 VAL H H 1 7.961 0.005 . 1 . . . A 70 VAL H . 17420 1 737 . 1 1 70 70 VAL HA H 1 4.801 0.01 . 1 . . . A 70 VAL HA . 17420 1 738 . 1 1 70 70 VAL HB H 1 1.758 0.003 . 1 . . . A 70 VAL HB . 17420 1 739 . 1 1 70 70 VAL HG11 H 1 0.816 0.01 . 1 . . . A 70 VAL HG11 . 17420 1 740 . 1 1 70 70 VAL HG12 H 1 0.816 0.01 . 1 . . . A 70 VAL HG12 . 17420 1 741 . 1 1 70 70 VAL HG13 H 1 0.816 0.01 . 1 . . . A 70 VAL HG13 . 17420 1 742 . 1 1 70 70 VAL HG21 H 1 0.861 0.010 . 1 . . . A 70 VAL HG21 . 17420 1 743 . 1 1 70 70 VAL HG22 H 1 0.861 0.010 . 1 . . . A 70 VAL HG22 . 17420 1 744 . 1 1 70 70 VAL HG23 H 1 0.861 0.010 . 1 . . . A 70 VAL HG23 . 17420 1 745 . 1 1 70 70 VAL C C 13 177.382 0.01 . 1 . . . A 70 VAL C . 17420 1 746 . 1 1 70 70 VAL CA C 13 59.927 0.039 . 1 . . . A 70 VAL CA . 17420 1 747 . 1 1 70 70 VAL CB C 13 35.144 0.123 . 1 . . . A 70 VAL CB . 17420 1 748 . 1 1 70 70 VAL CG2 C 13 20.589 0.121 . 2 . . . A 70 VAL CG2 . 17420 1 749 . 1 1 70 70 VAL N N 15 118.114 0.022 . 1 . . . A 70 VAL N . 17420 1 750 . 1 1 71 71 TYR H H 1 9.057 0.005 . 1 . . . A 71 TYR H . 17420 1 751 . 1 1 71 71 TYR HB2 H 1 3.502 0.002 . 2 . . . A 71 TYR HB2 . 17420 1 752 . 1 1 71 71 TYR HB3 H 1 2.749 0.01 . 2 . . . A 71 TYR HB3 . 17420 1 753 . 1 1 71 71 TYR HD2 H 1 7.281 0.001 . 3 . . . A 71 TYR HD2 . 17420 1 754 . 1 1 71 71 TYR HE2 H 1 6.582 0.006 . 3 . . . A 71 TYR HE2 . 17420 1 755 . 1 1 71 71 TYR HH H 1 9.918 0.005 . 1 . . . A 71 TYR HH . 17420 1 756 . 1 1 71 71 TYR C C 13 176.931 0.01 . 1 . . . A 71 TYR C . 17420 1 757 . 1 1 71 71 TYR CA C 13 60.967 0.008 . 1 . . . A 71 TYR CA . 17420 1 758 . 1 1 71 71 TYR CB C 13 39.006 0.052 . 1 . . . A 71 TYR CB . 17420 1 759 . 1 1 71 71 TYR CD2 C 13 133.340 0.01 . 3 . . . A 71 TYR CD2 . 17420 1 760 . 1 1 71 71 TYR CE2 C 13 118.249 0.051 . 3 . . . A 71 TYR CE2 . 17420 1 761 . 1 1 71 71 TYR N N 15 125.819 0.023 . 1 . . . A 71 TYR N . 17420 1 762 . 1 1 72 72 ASP H H 1 9.911 0.004 . 1 . . . A 72 ASP H . 17420 1 763 . 1 1 72 72 ASP HA H 1 4.908 0.013 . 1 . . . A 72 ASP HA . 17420 1 764 . 1 1 72 72 ASP HB2 H 1 2.843 0.002 . 2 . . . A 72 ASP HB2 . 17420 1 765 . 1 1 72 72 ASP HB3 H 1 2.388 0.01 . 2 . . . A 72 ASP HB3 . 17420 1 766 . 1 1 72 72 ASP C C 13 176.271 0.01 . 1 . . . A 72 ASP C . 17420 1 767 . 1 1 72 72 ASP CA C 13 56.329 0.014 . 1 . . . A 72 ASP CA . 17420 1 768 . 1 1 72 72 ASP CB C 13 44.156 0.048 . 1 . . . A 72 ASP CB . 17420 1 769 . 1 1 72 72 ASP N N 15 125.847 0.030 . 1 . . . A 72 ASP N . 17420 1 770 . 1 1 73 73 GLN H H 1 7.994 0.004 . 1 . . . A 73 GLN H . 17420 1 771 . 1 1 73 73 GLN HA H 1 4.647 0.011 . 1 . . . A 73 GLN HA . 17420 1 772 . 1 1 73 73 GLN HB2 H 1 2.242 0.01 . 2 . . . A 73 GLN HB2 . 17420 1 773 . 1 1 73 73 GLN HB3 H 1 2.242 0.01 . 2 . . . A 73 GLN HB3 . 17420 1 774 . 1 1 73 73 GLN C C 13 173.460 0.01 . 1 . . . A 73 GLN C . 17420 1 775 . 1 1 73 73 GLN CA C 13 56.069 0.012 . 1 . . . A 73 GLN CA . 17420 1 776 . 1 1 73 73 GLN CB C 13 32.724 0.009 . 1 . . . A 73 GLN CB . 17420 1 777 . 1 1 73 73 GLN CG C 13 34.141 0.01 . 1 . . . A 73 GLN CG . 17420 1 778 . 1 1 73 73 GLN N N 15 114.589 0.022 . 1 . . . A 73 GLN N . 17420 1 779 . 1 1 74 74 VAL H H 1 8.783 0.003 . 1 . . . A 74 VAL H . 17420 1 780 . 1 1 74 74 VAL HA H 1 4.626 0.002 . 1 . . . A 74 VAL HA . 17420 1 781 . 1 1 74 74 VAL HB H 1 1.885 0.002 . 1 . . . A 74 VAL HB . 17420 1 782 . 1 1 74 74 VAL HG11 H 1 0.502 0.003 . 1 . . . A 74 VAL HG11 . 17420 1 783 . 1 1 74 74 VAL HG12 H 1 0.502 0.003 . 1 . . . A 74 VAL HG12 . 17420 1 784 . 1 1 74 74 VAL HG13 H 1 0.502 0.003 . 1 . . . A 74 VAL HG13 . 17420 1 785 . 1 1 74 74 VAL HG21 H 1 0.949 0.005 . 1 . . . A 74 VAL HG21 . 17420 1 786 . 1 1 74 74 VAL HG22 H 1 0.949 0.005 . 1 . . . A 74 VAL HG22 . 17420 1 787 . 1 1 74 74 VAL HG23 H 1 0.949 0.005 . 1 . . . A 74 VAL HG23 . 17420 1 788 . 1 1 74 74 VAL C C 13 174.701 0.01 . 1 . . . A 74 VAL C . 17420 1 789 . 1 1 74 74 VAL CA C 13 62.422 0.014 . 1 . . . A 74 VAL CA . 17420 1 790 . 1 1 74 74 VAL CB C 13 35.879 0.036 . 1 . . . A 74 VAL CB . 17420 1 791 . 1 1 74 74 VAL CG1 C 13 20.885 0.046 . 2 . . . A 74 VAL CG1 . 17420 1 792 . 1 1 74 74 VAL CG2 C 13 21.289 0.277 . 2 . . . A 74 VAL CG2 . 17420 1 793 . 1 1 74 74 VAL N N 15 122.928 0.020 . 1 . . . A 74 VAL N . 17420 1 794 . 1 1 75 75 LYS H H 1 9.648 0.004 . 1 . . . A 75 LYS H . 17420 1 795 . 1 1 75 75 LYS HA H 1 4.812 0.004 . 1 . . . A 75 LYS HA . 17420 1 796 . 1 1 75 75 LYS HG2 H 1 1.365 0.01 . 2 . . . A 75 LYS HG2 . 17420 1 797 . 1 1 75 75 LYS HG3 H 1 1.365 0.01 . 2 . . . A 75 LYS HG3 . 17420 1 798 . 1 1 75 75 LYS C C 13 174.929 0.01 . 1 . . . A 75 LYS C . 17420 1 799 . 1 1 75 75 LYS CA C 13 54.695 0.063 . 1 . . . A 75 LYS CA . 17420 1 800 . 1 1 75 75 LYS CB C 13 33.850 0.017 . 1 . . . A 75 LYS CB . 17420 1 801 . 1 1 75 75 LYS CG C 13 24.465 0.118 . 1 . . . A 75 LYS CG . 17420 1 802 . 1 1 75 75 LYS CD C 13 29.189 0.01 . 1 . . . A 75 LYS CD . 17420 1 803 . 1 1 75 75 LYS CE C 13 42.070 0.01 . 1 . . . A 75 LYS CE . 17420 1 804 . 1 1 75 75 LYS N N 15 128.678 0.020 . 1 . . . A 75 LYS N . 17420 1 805 . 1 1 76 76 THR H H 1 8.378 0.002 . 1 . . . A 76 THR H . 17420 1 806 . 1 1 76 76 THR HA H 1 2.732 0.005 . 1 . . . A 76 THR HA . 17420 1 807 . 1 1 76 76 THR HB H 1 3.442 0.002 . 1 . . . A 76 THR HB . 17420 1 808 . 1 1 76 76 THR HG21 H 1 0.396 0.005 . 1 . . . A 76 THR HG21 . 17420 1 809 . 1 1 76 76 THR HG22 H 1 0.396 0.005 . 1 . . . A 76 THR HG22 . 17420 1 810 . 1 1 76 76 THR HG23 H 1 0.396 0.005 . 1 . . . A 76 THR HG23 . 17420 1 811 . 1 1 76 76 THR C C 13 172.843 0.01 . 1 . . . A 76 THR C . 17420 1 812 . 1 1 76 76 THR CA C 13 65.710 0.041 . 1 . . . A 76 THR CA . 17420 1 813 . 1 1 76 76 THR CB C 13 68.469 0.018 . 1 . . . A 76 THR CB . 17420 1 814 . 1 1 76 76 THR CG2 C 13 21.325 0.059 . 1 . . . A 76 THR CG2 . 17420 1 815 . 1 1 76 76 THR N N 15 122.397 0.026 . 1 . . . A 76 THR N . 17420 1 816 . 1 1 77 77 ASN H H 1 3.143 0.003 . 1 . . . A 77 ASN H . 17420 1 817 . 1 1 77 77 ASN HA H 1 2.923 0.006 . 1 . . . A 77 ASN HA . 17420 1 818 . 1 1 77 77 ASN HB2 H 1 2.935 0.010 . 2 . . . A 77 ASN HB2 . 17420 1 819 . 1 1 77 77 ASN HB3 H 1 2.379 0.009 . 2 . . . A 77 ASN HB3 . 17420 1 820 . 1 1 77 77 ASN HD21 H 1 6.917 0.007 . 2 . . . A 77 ASN HD21 . 17420 1 821 . 1 1 77 77 ASN HD22 H 1 5.691 0.01 . 2 . . . A 77 ASN HD22 . 17420 1 822 . 1 1 77 77 ASN C C 13 171.868 0.01 . 1 . . . A 77 ASN C . 17420 1 823 . 1 1 77 77 ASN CA C 13 55.206 0.061 . 1 . . . A 77 ASN CA . 17420 1 824 . 1 1 77 77 ASN CB C 13 35.982 0.022 . 1 . . . A 77 ASN CB . 17420 1 825 . 1 1 77 77 ASN N N 15 115.484 0.015 . 1 . . . A 77 ASN N . 17420 1 826 . 1 1 77 77 ASN ND2 N 15 105.700 0.054 . 1 . . . A 77 ASN ND2 . 17420 1 827 . 1 1 78 78 ASP H H 1 7.550 0.008 . 1 . . . A 78 ASP H . 17420 1 828 . 1 1 78 78 ASP HA H 1 5.319 0.004 . 1 . . . A 78 ASP HA . 17420 1 829 . 1 1 78 78 ASP HB2 H 1 2.524 0.01 . 2 . . . A 78 ASP HB2 . 17420 1 830 . 1 1 78 78 ASP HB3 H 1 2.260 0.001 . 2 . . . A 78 ASP HB3 . 17420 1 831 . 1 1 78 78 ASP C C 13 175.222 0.01 . 1 . . . A 78 ASP C . 17420 1 832 . 1 1 78 78 ASP CA C 13 56.491 0.048 . 1 . . . A 78 ASP CA . 17420 1 833 . 1 1 78 78 ASP CB C 13 44.726 0.026 . 1 . . . A 78 ASP CB . 17420 1 834 . 1 1 78 78 ASP N N 15 115.388 0.017 . 1 . . . A 78 ASP N . 17420 1 835 . 1 1 79 79 LEU H H 1 8.702 0.007 . 1 . . . A 79 LEU H . 17420 1 836 . 1 1 79 79 LEU HA H 1 5.752 0.002 . 1 . . . A 79 LEU HA . 17420 1 837 . 1 1 79 79 LEU HB2 H 1 1.708 0.004 . 2 . . . A 79 LEU HB2 . 17420 1 838 . 1 1 79 79 LEU HB3 H 1 1.592 0.008 . 2 . . . A 79 LEU HB3 . 17420 1 839 . 1 1 79 79 LEU HG H 1 1.421 0.002 . 1 . . . A 79 LEU HG . 17420 1 840 . 1 1 79 79 LEU HD11 H 1 0.808 0.001 . 1 . . . A 79 LEU HD11 . 17420 1 841 . 1 1 79 79 LEU HD12 H 1 0.808 0.001 . 1 . . . A 79 LEU HD12 . 17420 1 842 . 1 1 79 79 LEU HD13 H 1 0.808 0.001 . 1 . . . A 79 LEU HD13 . 17420 1 843 . 1 1 79 79 LEU HD21 H 1 0.969 0.01 . 1 . . . A 79 LEU HD21 . 17420 1 844 . 1 1 79 79 LEU HD22 H 1 0.969 0.01 . 1 . . . A 79 LEU HD22 . 17420 1 845 . 1 1 79 79 LEU HD23 H 1 0.969 0.01 . 1 . . . A 79 LEU HD23 . 17420 1 846 . 1 1 79 79 LEU C C 13 174.896 0.01 . 1 . . . A 79 LEU C . 17420 1 847 . 1 1 79 79 LEU CA C 13 55.171 0.040 . 1 . . . A 79 LEU CA . 17420 1 848 . 1 1 79 79 LEU CB C 13 47.336 0.025 . 1 . . . A 79 LEU CB . 17420 1 849 . 1 1 79 79 LEU CG C 13 27.855 0.019 . 1 . . . A 79 LEU CG . 17420 1 850 . 1 1 79 79 LEU CD1 C 13 26.375 0.070 . 2 . . . A 79 LEU CD1 . 17420 1 851 . 1 1 79 79 LEU CD2 C 13 23.837 0.126 . 2 . . . A 79 LEU CD2 . 17420 1 852 . 1 1 79 79 LEU N N 15 120.893 0.036 . 1 . . . A 79 LEU N . 17420 1 853 . 1 1 80 80 ILE H H 1 9.439 0.005 . 1 . . . A 80 ILE H . 17420 1 854 . 1 1 80 80 ILE HA H 1 4.726 0.01 . 1 . . . A 80 ILE HA . 17420 1 855 . 1 1 80 80 ILE HB H 1 1.905 0.007 . 1 . . . A 80 ILE HB . 17420 1 856 . 1 1 80 80 ILE HG12 H 1 1.109 0.01 . 1 . . . A 80 ILE HG12 . 17420 1 857 . 1 1 80 80 ILE HG13 H 1 1.109 0.01 . 1 . . . A 80 ILE HG13 . 17420 1 858 . 1 1 80 80 ILE HG21 H 1 1.378 0.001 . 1 . . . A 80 ILE HG21 . 17420 1 859 . 1 1 80 80 ILE HG22 H 1 1.378 0.001 . 1 . . . A 80 ILE HG22 . 17420 1 860 . 1 1 80 80 ILE HG23 H 1 1.378 0.001 . 1 . . . A 80 ILE HG23 . 17420 1 861 . 1 1 80 80 ILE HD11 H 1 0.690 0.004 . 1 . . . A 80 ILE HD11 . 17420 1 862 . 1 1 80 80 ILE HD12 H 1 0.690 0.004 . 1 . . . A 80 ILE HD12 . 17420 1 863 . 1 1 80 80 ILE HD13 H 1 0.690 0.004 . 1 . . . A 80 ILE HD13 . 17420 1 864 . 1 1 80 80 ILE C C 13 174.264 0.01 . 1 . . . A 80 ILE C . 17420 1 865 . 1 1 80 80 ILE CA C 13 61.912 0.024 . 1 . . . A 80 ILE CA . 17420 1 866 . 1 1 80 80 ILE CB C 13 43.475 0.039 . 1 . . . A 80 ILE CB . 17420 1 867 . 1 1 80 80 ILE CG2 C 13 19.266 0.033 . 1 . . . A 80 ILE CG2 . 17420 1 868 . 1 1 80 80 ILE CD1 C 13 15.131 0.064 . 1 . . . A 80 ILE CD1 . 17420 1 869 . 1 1 80 80 ILE N N 15 125.666 0.025 . 1 . . . A 80 ILE N . 17420 1 870 . 1 1 81 81 GLU H H 1 9.158 0.003 . 1 . . . A 81 GLU H . 17420 1 871 . 1 1 81 81 GLU HA H 1 5.722 0.003 . 1 . . . A 81 GLU HA . 17420 1 872 . 1 1 81 81 GLU HB2 H 1 2.390 0.012 . 2 . . . A 81 GLU HB2 . 17420 1 873 . 1 1 81 81 GLU HB3 H 1 2.127 0.002 . 2 . . . A 81 GLU HB3 . 17420 1 874 . 1 1 81 81 GLU HG2 H 1 2.378 0.01 . 2 . . . A 81 GLU HG2 . 17420 1 875 . 1 1 81 81 GLU HG3 H 1 2.378 0.01 . 2 . . . A 81 GLU HG3 . 17420 1 876 . 1 1 81 81 GLU C C 13 176.739 0.01 . 1 . . . A 81 GLU C . 17420 1 877 . 1 1 81 81 GLU CA C 13 54.740 0.054 . 1 . . . A 81 GLU CA . 17420 1 878 . 1 1 81 81 GLU CB C 13 34.537 0.065 . 1 . . . A 81 GLU CB . 17420 1 879 . 1 1 81 81 GLU CG C 13 37.608 0.005 . 1 . . . A 81 GLU CG . 17420 1 880 . 1 1 81 81 GLU N N 15 125.750 0.024 . 1 . . . A 81 GLU N . 17420 1 881 . 1 1 82 82 TYR H H 1 9.227 0.008 . 1 . . . A 82 TYR H . 17420 1 882 . 1 1 82 82 TYR HA H 1 5.540 0.002 . 1 . . . A 82 TYR HA . 17420 1 883 . 1 1 82 82 TYR HB2 H 1 2.983 0.01 . 2 . . . A 82 TYR HB2 . 17420 1 884 . 1 1 82 82 TYR HB3 H 1 2.773 0.003 . 2 . . . A 82 TYR HB3 . 17420 1 885 . 1 1 82 82 TYR HD2 H 1 6.731 0.01 . 3 . . . A 82 TYR HD2 . 17420 1 886 . 1 1 82 82 TYR HE2 H 1 6.826 0.003 . 3 . . . A 82 TYR HE2 . 17420 1 887 . 1 1 82 82 TYR C C 13 172.480 0.01 . 1 . . . A 82 TYR C . 17420 1 888 . 1 1 82 82 TYR CA C 13 56.854 0.056 . 1 . . . A 82 TYR CA . 17420 1 889 . 1 1 82 82 TYR CB C 13 42.408 0.021 . 1 . . . A 82 TYR CB . 17420 1 890 . 1 1 82 82 TYR CD2 C 13 132.970 0.01 . 3 . . . A 82 TYR CD2 . 17420 1 891 . 1 1 82 82 TYR CE2 C 13 119.272 0.01 . 3 . . . A 82 TYR CE2 . 17420 1 892 . 1 1 82 82 TYR N N 15 121.488 0.037 . 1 . . . A 82 TYR N . 17420 1 893 . 1 1 83 83 THR H H 1 8.613 0.004 . 1 . . . A 83 THR H . 17420 1 894 . 1 1 83 83 THR HA H 1 5.130 0.001 . 1 . . . A 83 THR HA . 17420 1 895 . 1 1 83 83 THR HB H 1 4.061 0.001 . 1 . . . A 83 THR HB . 17420 1 896 . 1 1 83 83 THR HG21 H 1 1.127 0.162 . 1 . . . A 83 THR HG21 . 17420 1 897 . 1 1 83 83 THR HG22 H 1 1.127 0.162 . 1 . . . A 83 THR HG22 . 17420 1 898 . 1 1 83 83 THR HG23 H 1 1.127 0.162 . 1 . . . A 83 THR HG23 . 17420 1 899 . 1 1 83 83 THR C C 13 175.572 0.01 . 1 . . . A 83 THR C . 17420 1 900 . 1 1 83 83 THR CA C 13 62.206 0.142 . 1 . . . A 83 THR CA . 17420 1 901 . 1 1 83 83 THR CB C 13 70.809 0.043 . 1 . . . A 83 THR CB . 17420 1 902 . 1 1 83 83 THR CG2 C 13 21.320 0.838 . 1 . . . A 83 THR CG2 . 17420 1 903 . 1 1 83 83 THR N N 15 116.410 0.021 . 1 . . . A 83 THR N . 17420 1 904 . 1 1 84 84 ILE H H 1 9.821 0.006 . 1 . . . A 84 ILE H . 17420 1 905 . 1 1 84 84 ILE HA H 1 4.320 0.010 . 1 . . . A 84 ILE HA . 17420 1 906 . 1 1 84 84 ILE HB H 1 2.183 0.012 . 1 . . . A 84 ILE HB . 17420 1 907 . 1 1 84 84 ILE HG12 H 1 2.099 0.01 . 2 . . . A 84 ILE HG12 . 17420 1 908 . 1 1 84 84 ILE HG13 H 1 1.244 0.01 . 2 . . . A 84 ILE HG13 . 17420 1 909 . 1 1 84 84 ILE HG21 H 1 1.269 0.001 . 1 . . . A 84 ILE HG21 . 17420 1 910 . 1 1 84 84 ILE HG22 H 1 1.269 0.001 . 1 . . . A 84 ILE HG22 . 17420 1 911 . 1 1 84 84 ILE HG23 H 1 1.269 0.001 . 1 . . . A 84 ILE HG23 . 17420 1 912 . 1 1 84 84 ILE HD11 H 1 1.236 0.01 . 1 . . . A 84 ILE HD11 . 17420 1 913 . 1 1 84 84 ILE HD12 H 1 1.236 0.01 . 1 . . . A 84 ILE HD12 . 17420 1 914 . 1 1 84 84 ILE HD13 H 1 1.236 0.01 . 1 . . . A 84 ILE HD13 . 17420 1 915 . 1 1 84 84 ILE C C 13 177.382 0.01 . 1 . . . A 84 ILE C . 17420 1 916 . 1 1 84 84 ILE CA C 13 62.359 0.044 . 1 . . . A 84 ILE CA . 17420 1 917 . 1 1 84 84 ILE CB C 13 38.683 0.058 . 1 . . . A 84 ILE CB . 17420 1 918 . 1 1 84 84 ILE CG1 C 13 29.918 0.059 . 1 . . . A 84 ILE CG1 . 17420 1 919 . 1 1 84 84 ILE CG2 C 13 19.117 0.057 . 1 . . . A 84 ILE CG2 . 17420 1 920 . 1 1 84 84 ILE CD1 C 13 13.576 0.01 . 1 . . . A 84 ILE CD1 . 17420 1 921 . 1 1 84 84 ILE N N 15 131.746 0.035 . 1 . . . A 84 ILE N . 17420 1 922 . 1 1 85 85 GLY H H 1 8.370 0.003 . 1 . . . A 85 GLY H . 17420 1 923 . 1 1 85 85 GLY HA2 H 1 3.923 0.01 . 2 . . . A 85 GLY HA2 . 17420 1 924 . 1 1 85 85 GLY HA3 H 1 3.923 0.01 . 2 . . . A 85 GLY HA3 . 17420 1 925 . 1 1 85 85 GLY C C 13 173.820 0.01 . 1 . . . A 85 GLY C . 17420 1 926 . 1 1 85 85 GLY CA C 13 47.739 0.002 . 1 . . . A 85 GLY CA . 17420 1 927 . 1 1 85 85 GLY N N 15 112.873 0.045 . 1 . . . A 85 GLY N . 17420 1 928 . 1 1 86 86 ASP H H 1 7.413 0.006 . 1 . . . A 86 ASP H . 17420 1 929 . 1 1 86 86 ASP HA H 1 4.593 0.01 . 1 . . . A 86 ASP HA . 17420 1 930 . 1 1 86 86 ASP HB2 H 1 3.122 0.001 . 2 . . . A 86 ASP HB2 . 17420 1 931 . 1 1 86 86 ASP HB3 H 1 2.638 0.001 . 2 . . . A 86 ASP HB3 . 17420 1 932 . 1 1 86 86 ASP C C 13 177.490 0.01 . 1 . . . A 86 ASP C . 17420 1 933 . 1 1 86 86 ASP CA C 13 53.463 0.026 . 1 . . . A 86 ASP CA . 17420 1 934 . 1 1 86 86 ASP CB C 13 40.419 0.015 . 1 . . . A 86 ASP CB . 17420 1 935 . 1 1 86 86 ASP N N 15 118.290 0.016 . 1 . . . A 86 ASP N . 17420 1 936 . 1 1 87 87 GLY H H 1 8.746 0.003 . 1 . . . A 87 GLY H . 17420 1 937 . 1 1 87 87 GLY HA2 H 1 3.552 0.005 . 1 . . . A 87 GLY HA2 . 17420 1 938 . 1 1 87 87 GLY HA3 H 1 4.366 0.01 . 2 . . . A 87 GLY HA3 . 17420 1 939 . 1 1 87 87 GLY C C 13 174.892 0.01 . 1 . . . A 87 GLY C . 17420 1 940 . 1 1 87 87 GLY CA C 13 45.053 0.038 . 1 . . . A 87 GLY CA . 17420 1 941 . 1 1 87 87 GLY N N 15 109.483 0.022 . 1 . . . A 87 GLY N . 17420 1 942 . 1 1 88 88 ARG H H 1 7.941 0.005 . 1 . . . A 88 ARG H . 17420 1 943 . 1 1 88 88 ARG HA H 1 4.282 0.01 . 1 . . . A 88 ARG HA . 17420 1 944 . 1 1 88 88 ARG C C 13 174.919 0.01 . 1 . . . A 88 ARG C . 17420 1 945 . 1 1 88 88 ARG CA C 13 58.115 0.024 . 1 . . . A 88 ARG CA . 17420 1 946 . 1 1 88 88 ARG CB C 13 31.757 0.071 . 1 . . . A 88 ARG CB . 17420 1 947 . 1 1 88 88 ARG CG C 13 28.752 0.01 . 1 . . . A 88 ARG CG . 17420 1 948 . 1 1 88 88 ARG CD C 13 43.644 0.01 . 1 . . . A 88 ARG CD . 17420 1 949 . 1 1 88 88 ARG N N 15 121.765 0.014 . 1 . . . A 88 ARG N . 17420 1 950 . 1 1 89 89 LYS H H 1 9.140 0.006 . 1 . . . A 89 LYS H . 17420 1 951 . 1 1 89 89 LYS HA H 1 5.070 0.01 . 1 . . . A 89 LYS HA . 17420 1 952 . 1 1 89 89 LYS HB2 H 1 1.808 0.01 . 2 . . . A 89 LYS HB2 . 17420 1 953 . 1 1 89 89 LYS HB3 H 1 1.691 0.01 . 2 . . . A 89 LYS HB3 . 17420 1 954 . 1 1 89 89 LYS HG2 H 1 1.609 0.01 . 2 . . . A 89 LYS HG2 . 17420 1 955 . 1 1 89 89 LYS HG3 H 1 1.518 0.01 . 2 . . . A 89 LYS HG3 . 17420 1 956 . 1 1 89 89 LYS HD2 H 1 1.690 0.01 . 2 . . . A 89 LYS HD2 . 17420 1 957 . 1 1 89 89 LYS HD3 H 1 1.690 0.01 . 2 . . . A 89 LYS HD3 . 17420 1 958 . 1 1 89 89 LYS C C 13 176.730 0.01 . 1 . . . A 89 LYS C . 17420 1 959 . 1 1 89 89 LYS CA C 13 55.475 0.010 . 1 . . . A 89 LYS CA . 17420 1 960 . 1 1 89 89 LYS CB C 13 34.842 0.036 . 1 . . . A 89 LYS CB . 17420 1 961 . 1 1 89 89 LYS CG C 13 25.206 0.132 . 1 . . . A 89 LYS CG . 17420 1 962 . 1 1 89 89 LYS CD C 13 28.643 0.042 . 1 . . . A 89 LYS CD . 17420 1 963 . 1 1 89 89 LYS CE C 13 42.416 0.01 . 1 . . . A 89 LYS CE . 17420 1 964 . 1 1 89 89 LYS N N 15 121.952 0.044 . 1 . . . A 89 LYS N . 17420 1 965 . 1 1 90 90 VAL H H 1 8.610 0.003 . 1 . . . A 90 VAL H . 17420 1 966 . 1 1 90 90 VAL HA H 1 4.600 0.002 . 1 . . . A 90 VAL HA . 17420 1 967 . 1 1 90 90 VAL HB H 1 0.328 0.007 . 1 . . . A 90 VAL HB . 17420 1 968 . 1 1 90 90 VAL HG11 H 1 0.842 0.011 . 1 . . . A 90 VAL HG11 . 17420 1 969 . 1 1 90 90 VAL HG12 H 1 0.842 0.011 . 1 . . . A 90 VAL HG12 . 17420 1 970 . 1 1 90 90 VAL HG13 H 1 0.842 0.011 . 1 . . . A 90 VAL HG13 . 17420 1 971 . 1 1 90 90 VAL HG21 H 1 0.972 0.017 . 1 . . . A 90 VAL HG21 . 17420 1 972 . 1 1 90 90 VAL HG22 H 1 0.972 0.017 . 1 . . . A 90 VAL HG22 . 17420 1 973 . 1 1 90 90 VAL HG23 H 1 0.972 0.017 . 1 . . . A 90 VAL HG23 . 17420 1 974 . 1 1 90 90 VAL C C 13 174.381 0.01 . 1 . . . A 90 VAL C . 17420 1 975 . 1 1 90 90 VAL CA C 13 61.523 0.01 . 1 . . . A 90 VAL CA . 17420 1 976 . 1 1 90 90 VAL CB C 13 34.530 0.104 . 1 . . . A 90 VAL CB . 17420 1 977 . 1 1 90 90 VAL N N 15 121.338 0.021 . 1 . . . A 90 VAL N . 17420 1 978 . 1 1 91 91 ARG H H 1 8.848 0.003 . 1 . . . A 91 ARG H . 17420 1 979 . 1 1 91 91 ARG HA H 1 5.120 0.004 . 1 . . . A 91 ARG HA . 17420 1 980 . 1 1 91 91 ARG C C 13 174.057 0.01 . 1 . . . A 91 ARG C . 17420 1 981 . 1 1 91 91 ARG CA C 13 55.116 0.046 . 1 . . . A 91 ARG CA . 17420 1 982 . 1 1 91 91 ARG CB C 13 33.915 0.036 . 1 . . . A 91 ARG CB . 17420 1 983 . 1 1 91 91 ARG CG C 13 28.682 0.01 . 1 . . . A 91 ARG CG . 17420 1 984 . 1 1 91 91 ARG CD C 13 43.482 0.01 . 1 . . . A 91 ARG CD . 17420 1 985 . 1 1 91 91 ARG N N 15 127.674 0.052 . 1 . . . A 91 ARG N . 17420 1 986 . 1 1 92 92 ILE H H 1 9.848 0.005 . 1 . . . A 92 ILE H . 17420 1 987 . 1 1 92 92 ILE HA H 1 4.735 0.01 . 1 . . . A 92 ILE HA . 17420 1 988 . 1 1 92 92 ILE HB H 1 1.782 0.01 . 1 . . . A 92 ILE HB . 17420 1 989 . 1 1 92 92 ILE HG12 H 1 1.594 0.01 . 2 . . . A 92 ILE HG12 . 17420 1 990 . 1 1 92 92 ILE HG13 H 1 0.903 0.01 . 2 . . . A 92 ILE HG13 . 17420 1 991 . 1 1 92 92 ILE HG21 H 1 -0.198 0.007 . 1 . . . A 92 ILE HG21 . 17420 1 992 . 1 1 92 92 ILE HG22 H 1 -0.198 0.007 . 1 . . . A 92 ILE HG22 . 17420 1 993 . 1 1 92 92 ILE HG23 H 1 -0.198 0.007 . 1 . . . A 92 ILE HG23 . 17420 1 994 . 1 1 92 92 ILE HD11 H 1 1.229 0.004 . 1 . . . A 92 ILE HD11 . 17420 1 995 . 1 1 92 92 ILE HD12 H 1 1.229 0.004 . 1 . . . A 92 ILE HD12 . 17420 1 996 . 1 1 92 92 ILE HD13 H 1 1.229 0.004 . 1 . . . A 92 ILE HD13 . 17420 1 997 . 1 1 92 92 ILE C C 13 174.062 0.01 . 1 . . . A 92 ILE C . 17420 1 998 . 1 1 92 92 ILE CA C 13 61.163 0.058 . 1 . . . A 92 ILE CA . 17420 1 999 . 1 1 92 92 ILE CB C 13 39.839 0.035 . 1 . . . A 92 ILE CB . 17420 1 1000 . 1 1 92 92 ILE CG1 C 13 28.006 0.060 . 1 . . . A 92 ILE CG1 . 17420 1 1001 . 1 1 92 92 ILE CG2 C 13 20.419 0.047 . 1 . . . A 92 ILE CG2 . 17420 1 1002 . 1 1 92 92 ILE CD1 C 13 16.034 0.041 . 1 . . . A 92 ILE CD1 . 17420 1 1003 . 1 1 92 92 ILE N N 15 128.680 0.025 . 1 . . . A 92 ILE N . 17420 1 1004 . 1 1 93 93 VAL H H 1 8.679 0.003 . 1 . . . A 93 VAL H . 17420 1 1005 . 1 1 93 93 VAL HA H 1 4.626 0.01 . 1 . . . A 93 VAL HA . 17420 1 1006 . 1 1 93 93 VAL HB H 1 1.830 0.004 . 1 . . . A 93 VAL HB . 17420 1 1007 . 1 1 93 93 VAL HG21 H 1 0.912 0.012 . 1 . . . A 93 VAL HG21 . 17420 1 1008 . 1 1 93 93 VAL HG22 H 1 0.912 0.012 . 1 . . . A 93 VAL HG22 . 17420 1 1009 . 1 1 93 93 VAL HG23 H 1 0.912 0.012 . 1 . . . A 93 VAL HG23 . 17420 1 1010 . 1 1 93 93 VAL C C 13 175.425 0.01 . 1 . . . A 93 VAL C . 17420 1 1011 . 1 1 93 93 VAL CA C 13 61.398 0.071 . 1 . . . A 93 VAL CA . 17420 1 1012 . 1 1 93 93 VAL CB C 13 34.364 0.061 . 1 . . . A 93 VAL CB . 17420 1 1013 . 1 1 93 93 VAL N N 15 125.847 0.019 . 1 . . . A 93 VAL N . 17420 1 1014 . 1 1 94 94 PHE H H 1 8.810 0.013 . 1 . . . A 94 PHE H . 17420 1 1015 . 1 1 94 94 PHE HA H 1 5.201 0.002 . 1 . . . A 94 PHE HA . 17420 1 1016 . 1 1 94 94 PHE HB2 H 1 3.188 0.006 . 2 . . . A 94 PHE HB2 . 17420 1 1017 . 1 1 94 94 PHE HB3 H 1 2.475 0.005 . 2 . . . A 94 PHE HB3 . 17420 1 1018 . 1 1 94 94 PHE HD1 H 1 6.783 0.004 . 3 . . . A 94 PHE HD1 . 17420 1 1019 . 1 1 94 94 PHE C C 13 175.730 0.01 . 1 . . . A 94 PHE C . 17420 1 1020 . 1 1 94 94 PHE CA C 13 56.207 0.052 . 1 . . . A 94 PHE CA . 17420 1 1021 . 1 1 94 94 PHE CB C 13 40.890 0.038 . 1 . . . A 94 PHE CB . 17420 1 1022 . 1 1 94 94 PHE CD1 C 13 131.431 0.164 . 3 . . . A 94 PHE CD1 . 17420 1 1023 . 1 1 94 94 PHE N N 15 127.810 0.027 . 1 . . . A 94 PHE N . 17420 1 1024 . 1 1 95 95 THR H H 1 9.262 0.003 . 1 . . . A 95 THR H . 17420 1 1025 . 1 1 95 95 THR HB H 1 4.133 0.002 . 1 . . . A 95 THR HB . 17420 1 1026 . 1 1 95 95 THR HG21 H 1 1.161 0.01 . 1 . . . A 95 THR HG21 . 17420 1 1027 . 1 1 95 95 THR HG22 H 1 1.161 0.01 . 1 . . . A 95 THR HG22 . 17420 1 1028 . 1 1 95 95 THR HG23 H 1 1.161 0.01 . 1 . . . A 95 THR HG23 . 17420 1 1029 . 1 1 95 95 THR C C 13 173.774 0.01 . 1 . . . A 95 THR C . 17420 1 1030 . 1 1 95 95 THR CA C 13 60.856 0.025 . 1 . . . A 95 THR CA . 17420 1 1031 . 1 1 95 95 THR CB C 13 71.291 0.048 . 1 . . . A 95 THR CB . 17420 1 1032 . 1 1 95 95 THR N N 15 116.491 0.017 . 1 . . . A 95 THR N . 17420 1 1033 . 1 1 96 96 HIS H H 1 8.873 0.005 . 1 . . . A 96 HIS H . 17420 1 1034 . 1 1 96 96 HIS HA H 1 5.606 0.012 . 1 . . . A 96 HIS HA . 17420 1 1035 . 1 1 96 96 HIS HB2 H 1 3.455 0.003 . 2 . . . A 96 HIS HB2 . 17420 1 1036 . 1 1 96 96 HIS HB3 H 1 3.190 0.004 . 2 . . . A 96 HIS HB3 . 17420 1 1037 . 1 1 96 96 HIS C C 13 173.940 0.01 . 1 . . . A 96 HIS C . 17420 1 1038 . 1 1 96 96 HIS CA C 13 54.692 0.099 . 1 . . . A 96 HIS CA . 17420 1 1039 . 1 1 96 96 HIS CB C 13 32.431 0.125 . 1 . . . A 96 HIS CB . 17420 1 1040 . 1 1 96 96 HIS N N 15 120.986 0.037 . 1 . . . A 96 HIS N . 17420 1 1041 . 1 1 97 97 THR H H 1 8.346 0.005 . 1 . . . A 97 THR H . 17420 1 1042 . 1 1 97 97 THR HA H 1 4.484 0.002 . 1 . . . A 97 THR HA . 17420 1 1043 . 1 1 97 97 THR HB H 1 4.216 0.001 . 1 . . . A 97 THR HB . 17420 1 1044 . 1 1 97 97 THR HG21 H 1 1.121 0.005 . 1 . . . A 97 THR HG21 . 17420 1 1045 . 1 1 97 97 THR HG22 H 1 1.121 0.005 . 1 . . . A 97 THR HG22 . 17420 1 1046 . 1 1 97 97 THR HG23 H 1 1.121 0.005 . 1 . . . A 97 THR HG23 . 17420 1 1047 . 1 1 97 97 THR CA C 13 60.716 0.040 . 1 . . . A 97 THR CA . 17420 1 1048 . 1 1 97 97 THR CB C 13 70.306 0.076 . 1 . . . A 97 THR CB . 17420 1 1049 . 1 1 97 97 THR CG2 C 13 20.679 0.050 . 1 . . . A 97 THR CG2 . 17420 1 1050 . 1 1 97 97 THR N N 15 116.340 0.028 . 1 . . . A 97 THR N . 17420 1 1051 . 1 1 98 98 GLY HA2 H 1 3.830 0.01 . 1 . . . A 98 GLY HA2 . 17420 1 1052 . 1 1 98 98 GLY HA3 H 1 3.983 0.01 . 2 . . . A 98 GLY HA3 . 17420 1 1053 . 1 1 98 98 GLY C C 13 174.863 0.01 . 1 . . . A 98 GLY C . 17420 1 1054 . 1 1 98 98 GLY CA C 13 47.419 0.01 . 1 . . . A 98 GLY CA . 17420 1 1055 . 1 1 99 99 ASP H H 1 8.508 0.005 . 1 . . . A 99 ASP H . 17420 1 1056 . 1 1 99 99 ASP HA H 1 4.689 0.01 . 1 . . . A 99 ASP HA . 17420 1 1057 . 1 1 99 99 ASP HB2 H 1 2.789 0.001 . 2 . . . A 99 ASP HB2 . 17420 1 1058 . 1 1 99 99 ASP HB3 H 1 2.608 0.005 . 2 . . . A 99 ASP HB3 . 17420 1 1059 . 1 1 99 99 ASP C C 13 174.182 0.01 . 1 . . . A 99 ASP C . 17420 1 1060 . 1 1 99 99 ASP CA C 13 53.986 0.164 . 1 . . . A 99 ASP CA . 17420 1 1061 . 1 1 99 99 ASP CB C 13 41.093 0.015 . 1 . . . A 99 ASP CB . 17420 1 1062 . 1 1 99 99 ASP N N 15 124.741 0.023 . 1 . . . A 99 ASP N . 17420 1 1063 . 1 1 100 100 THR H H 1 7.611 0.003 . 1 . . . A 100 THR H . 17420 1 1064 . 1 1 100 100 THR HB H 1 3.907 0.01 . 1 . . . A 100 THR HB . 17420 1 1065 . 1 1 100 100 THR HG21 H 1 0.863 0.012 . 1 . . . A 100 THR HG21 . 17420 1 1066 . 1 1 100 100 THR HG22 H 1 0.863 0.012 . 1 . . . A 100 THR HG22 . 17420 1 1067 . 1 1 100 100 THR HG23 H 1 0.863 0.012 . 1 . . . A 100 THR HG23 . 17420 1 1068 . 1 1 100 100 THR C C 13 173.852 0.01 . 1 . . . A 100 THR C . 17420 1 1069 . 1 1 100 100 THR CA C 13 61.889 0.020 . 1 . . . A 100 THR CA . 17420 1 1070 . 1 1 100 100 THR CB C 13 72.079 0.072 . 1 . . . A 100 THR CB . 17420 1 1071 . 1 1 100 100 THR CG2 C 13 22.193 0.036 . 1 . . . A 100 THR CG2 . 17420 1 1072 . 1 1 100 100 THR N N 15 111.060 0.015 . 1 . . . A 100 THR N . 17420 1 1073 . 1 1 101 101 THR H H 1 9.263 0.003 . 1 . . . A 101 THR H . 17420 1 1074 . 1 1 101 101 THR HA H 1 5.064 0.01 . 1 . . . A 101 THR HA . 17420 1 1075 . 1 1 101 101 THR HB H 1 3.933 0.001 . 1 . . . A 101 THR HB . 17420 1 1076 . 1 1 101 101 THR HG21 H 1 1.311 0.009 . 1 . . . A 101 THR HG21 . 17420 1 1077 . 1 1 101 101 THR HG22 H 1 1.311 0.009 . 1 . . . A 101 THR HG22 . 17420 1 1078 . 1 1 101 101 THR HG23 H 1 1.311 0.009 . 1 . . . A 101 THR HG23 . 17420 1 1079 . 1 1 101 101 THR C C 13 172.258 0.01 . 1 . . . A 101 THR C . 17420 1 1080 . 1 1 101 101 THR CA C 13 62.819 0.060 . 1 . . . A 101 THR CA . 17420 1 1081 . 1 1 101 101 THR CB C 13 71.716 0.083 . 1 . . . A 101 THR CB . 17420 1 1082 . 1 1 101 101 THR CG2 C 13 22.942 0.097 . 1 . . . A 101 THR CG2 . 17420 1 1083 . 1 1 101 101 THR N N 15 121.305 0.045 . 1 . . . A 101 THR N . 17420 1 1084 . 1 1 102 102 ASN H H 1 9.573 0.010 . 1 . . . A 102 ASN H . 17420 1 1085 . 1 1 102 102 ASN HA H 1 5.353 0.006 . 1 . . . A 102 ASN HA . 17420 1 1086 . 1 1 102 102 ASN HB2 H 1 2.629 0.010 . 2 . . . A 102 ASN HB2 . 17420 1 1087 . 1 1 102 102 ASN HB3 H 1 2.629 0.010 . 2 . . . A 102 ASN HB3 . 17420 1 1088 . 1 1 102 102 ASN C C 13 172.865 0.01 . 1 . . . A 102 ASN C . 17420 1 1089 . 1 1 102 102 ASN CA C 13 52.417 0.038 . 1 . . . A 102 ASN CA . 17420 1 1090 . 1 1 102 102 ASN CB C 13 41.719 0.026 . 1 . . . A 102 ASN CB . 17420 1 1091 . 1 1 102 102 ASN N N 15 127.218 0.016 . 1 . . . A 102 ASN N . 17420 1 1092 . 1 1 103 103 ILE H H 1 8.843 0.004 . 1 . . . A 103 ILE H . 17420 1 1093 . 1 1 103 103 ILE HA H 1 4.233 0.002 . 1 . . . A 103 ILE HA . 17420 1 1094 . 1 1 103 103 ILE HB H 1 1.364 0.01 . 1 . . . A 103 ILE HB . 17420 1 1095 . 1 1 103 103 ILE HG12 H 1 1.272 0.01 . 2 . . . A 103 ILE HG12 . 17420 1 1096 . 1 1 103 103 ILE HG13 H 1 0.313 0.01 . 2 . . . A 103 ILE HG13 . 17420 1 1097 . 1 1 103 103 ILE HG21 H 1 -0.308 0.006 . 1 . . . A 103 ILE HG21 . 17420 1 1098 . 1 1 103 103 ILE HG22 H 1 -0.308 0.006 . 1 . . . A 103 ILE HG22 . 17420 1 1099 . 1 1 103 103 ILE HG23 H 1 -0.308 0.006 . 1 . . . A 103 ILE HG23 . 17420 1 1100 . 1 1 103 103 ILE HD11 H 1 0.414 0.004 . 1 . . . A 103 ILE HD11 . 17420 1 1101 . 1 1 103 103 ILE HD12 H 1 0.414 0.004 . 1 . . . A 103 ILE HD12 . 17420 1 1102 . 1 1 103 103 ILE HD13 H 1 0.414 0.004 . 1 . . . A 103 ILE HD13 . 17420 1 1103 . 1 1 103 103 ILE C C 13 174.369 0.01 . 1 . . . A 103 ILE C . 17420 1 1104 . 1 1 103 103 ILE CA C 13 60.849 0.008 . 1 . . . A 103 ILE CA . 17420 1 1105 . 1 1 103 103 ILE CB C 13 40.468 0.024 . 1 . . . A 103 ILE CB . 17420 1 1106 . 1 1 103 103 ILE CG1 C 13 26.791 0.093 . 1 . . . A 103 ILE CG1 . 17420 1 1107 . 1 1 103 103 ILE CG2 C 13 16.414 0.057 . 1 . . . A 103 ILE CG2 . 17420 1 1108 . 1 1 103 103 ILE CD1 C 13 15.014 0.059 . 1 . . . A 103 ILE CD1 . 17420 1 1109 . 1 1 103 103 ILE N N 15 124.895 0.018 . 1 . . . A 103 ILE N . 17420 1 1110 . 1 1 104 104 VAL H H 1 8.191 0.004 . 1 . . . A 104 VAL H . 17420 1 1111 . 1 1 104 104 VAL HA H 1 4.473 0.01 . 1 . . . A 104 VAL HA . 17420 1 1112 . 1 1 104 104 VAL HB H 1 1.743 0.003 . 1 . . . A 104 VAL HB . 17420 1 1113 . 1 1 104 104 VAL HG11 H 1 0.777 0.01 . 1 . . . A 104 VAL HG11 . 17420 1 1114 . 1 1 104 104 VAL HG12 H 1 0.777 0.01 . 1 . . . A 104 VAL HG12 . 17420 1 1115 . 1 1 104 104 VAL HG13 H 1 0.777 0.01 . 1 . . . A 104 VAL HG13 . 17420 1 1116 . 1 1 104 104 VAL HG21 H 1 0.801 0.007 . 1 . . . A 104 VAL HG21 . 17420 1 1117 . 1 1 104 104 VAL HG22 H 1 0.801 0.007 . 1 . . . A 104 VAL HG22 . 17420 1 1118 . 1 1 104 104 VAL HG23 H 1 0.801 0.007 . 1 . . . A 104 VAL HG23 . 17420 1 1119 . 1 1 104 104 VAL C C 13 175.063 0.01 . 1 . . . A 104 VAL C . 17420 1 1120 . 1 1 104 104 VAL CA C 13 61.412 0.082 . 1 . . . A 104 VAL CA . 17420 1 1121 . 1 1 104 104 VAL CB C 13 34.084 0.051 . 1 . . . A 104 VAL CB . 17420 1 1122 . 1 1 104 104 VAL CG1 C 13 21.636 0.01 . 2 . . . A 104 VAL CG1 . 17420 1 1123 . 1 1 104 104 VAL CG2 C 13 21.342 0.01 . 2 . . . A 104 VAL CG2 . 17420 1 1124 . 1 1 104 104 VAL N N 15 125.673 0.041 . 1 . . . A 104 VAL N . 17420 1 1125 . 1 1 105 105 GLU H H 1 9.310 0.004 . 1 . . . A 105 GLU H . 17420 1 1126 . 1 1 105 105 GLU HA H 1 5.418 0.003 . 1 . . . A 105 GLU HA . 17420 1 1127 . 1 1 105 105 GLU C C 13 173.342 0.01 . 1 . . . A 105 GLU C . 17420 1 1128 . 1 1 105 105 GLU CA C 13 53.829 0.037 . 1 . . . A 105 GLU CA . 17420 1 1129 . 1 1 105 105 GLU CB C 13 32.301 0.002 . 1 . . . A 105 GLU CB . 17420 1 1130 . 1 1 105 105 GLU CG C 13 34.095 0.01 . 1 . . . A 105 GLU CG . 17420 1 1131 . 1 1 105 105 GLU N N 15 129.176 0.032 . 1 . . . A 105 GLU N . 17420 1 1132 . 1 1 106 106 SER H H 1 9.307 0.008 . 1 . . . A 106 SER H . 17420 1 1133 . 1 1 106 106 SER HA H 1 5.901 0.002 . 1 . . . A 106 SER HA . 17420 1 1134 . 1 1 106 106 SER HB2 H 1 3.564 0.018 . 2 . . . A 106 SER HB2 . 17420 1 1135 . 1 1 106 106 SER HB3 H 1 3.494 0.002 . 2 . . . A 106 SER HB3 . 17420 1 1136 . 1 1 106 106 SER C C 13 173.696 0.01 . 1 . . . A 106 SER C . 17420 1 1137 . 1 1 106 106 SER CA C 13 55.815 0.068 . 1 . . . A 106 SER CA . 17420 1 1138 . 1 1 106 106 SER CB C 13 65.542 0.048 . 1 . . . A 106 SER CB . 17420 1 1139 . 1 1 106 106 SER N N 15 120.356 0.027 . 1 . . . A 106 SER N . 17420 1 1140 . 1 1 107 107 PHE H H 1 9.040 0.009 . 1 . . . A 107 PHE H . 17420 1 1141 . 1 1 107 107 PHE HA H 1 5.603 0.01 . 1 . . . A 107 PHE HA . 17420 1 1142 . 1 1 107 107 PHE HB2 H 1 2.437 0.002 . 2 . . . A 107 PHE HB2 . 17420 1 1143 . 1 1 107 107 PHE HB3 H 1 2.437 0.002 . 2 . . . A 107 PHE HB3 . 17420 1 1144 . 1 1 107 107 PHE HD2 H 1 6.236 0.005 . 3 . . . A 107 PHE HD2 . 17420 1 1145 . 1 1 107 107 PHE C C 13 173.543 0.01 . 1 . . . A 107 PHE C . 17420 1 1146 . 1 1 107 107 PHE CA C 13 54.313 0.027 . 1 . . . A 107 PHE CA . 17420 1 1147 . 1 1 107 107 PHE CB C 13 44.123 0.021 . 1 . . . A 107 PHE CB . 17420 1 1148 . 1 1 107 107 PHE CD2 C 13 131.909 0.065 . 3 . . . A 107 PHE CD2 . 17420 1 1149 . 1 1 107 107 PHE N N 15 121.038 0.050 . 1 . . . A 107 PHE N . 17420 1 1150 . 1 1 108 108 ASP H H 1 7.864 0.008 . 1 . . . A 108 ASP H . 17420 1 1151 . 1 1 108 108 ASP CA C 13 52.317 0.01 . 1 . . . A 108 ASP CA . 17420 1 1152 . 1 1 108 108 ASP CB C 13 41.382 0.01 . 1 . . . A 108 ASP CB . 17420 1 1153 . 1 1 108 108 ASP N N 15 121.591 0.026 . 1 . . . A 108 ASP N . 17420 1 1154 . 1 1 109 109 PRO HA H 1 4.604 0.01 . 1 . . . A 109 PRO HA . 17420 1 1155 . 1 1 109 109 PRO HG2 H 1 1.984 0.01 . 2 . . . A 109 PRO HG2 . 17420 1 1156 . 1 1 109 109 PRO HG3 H 1 1.811 0.003 . 2 . . . A 109 PRO HG3 . 17420 1 1157 . 1 1 109 109 PRO HD2 H 1 3.771 0.012 . 2 . . . A 109 PRO HD2 . 17420 1 1158 . 1 1 109 109 PRO HD3 H 1 3.771 0.012 . 2 . . . A 109 PRO HD3 . 17420 1 1159 . 1 1 109 109 PRO C C 13 177.223 0.01 . 1 . . . A 109 PRO C . 17420 1 1160 . 1 1 109 109 PRO CA C 13 62.296 0.01 . 1 . . . A 109 PRO CA . 17420 1 1161 . 1 1 109 109 PRO CB C 13 31.898 0.01 . 1 . . . A 109 PRO CB . 17420 1 1162 . 1 1 109 109 PRO CG C 13 27.067 0.067 . 1 . . . A 109 PRO CG . 17420 1 1163 . 1 1 109 109 PRO CD C 13 51.008 0.001 . 1 . . . A 109 PRO CD . 17420 1 1164 . 1 1 110 110 GLU H H 1 9.362 0.004 . 1 . . . A 110 GLU H . 17420 1 1165 . 1 1 110 110 GLU HA H 1 4.587 0.01 . 1 . . . A 110 GLU HA . 17420 1 1166 . 1 1 110 110 GLU HB2 H 1 2.175 0.01 . 2 . . . A 110 GLU HB2 . 17420 1 1167 . 1 1 110 110 GLU HB3 H 1 2.016 0.01 . 2 . . . A 110 GLU HB3 . 17420 1 1168 . 1 1 110 110 GLU C C 13 178.493 0.01 . 1 . . . A 110 GLU C . 17420 1 1169 . 1 1 110 110 GLU CA C 13 55.459 0.01 . 1 . . . A 110 GLU CA . 17420 1 1170 . 1 1 110 110 GLU CB C 13 30.097 0.085 . 1 . . . A 110 GLU CB . 17420 1 1171 . 1 1 110 110 GLU CG C 13 35.234 0.01 . 1 . . . A 110 GLU CG . 17420 1 1172 . 1 1 110 110 GLU N N 15 119.630 0.015 . 1 . . . A 110 GLU N . 17420 1 1173 . 1 1 111 111 GLU H H 1 8.930 0.004 . 1 . . . A 111 GLU H . 17420 1 1174 . 1 1 111 111 GLU HA H 1 4.316 0.008 . 1 . . . A 111 GLU HA . 17420 1 1175 . 1 1 111 111 GLU HB2 H 1 1.921 0.009 . 2 . . . A 111 GLU HB2 . 17420 1 1176 . 1 1 111 111 GLU HB3 H 1 1.921 0.009 . 2 . . . A 111 GLU HB3 . 17420 1 1177 . 1 1 111 111 GLU HG2 H 1 2.758 0.01 . 2 . . . A 111 GLU HG2 . 17420 1 1178 . 1 1 111 111 GLU HG3 H 1 2.501 0.01 . 2 . . . A 111 GLU HG3 . 17420 1 1179 . 1 1 111 111 GLU C C 13 177.424 0.01 . 1 . . . A 111 GLU C . 17420 1 1180 . 1 1 111 111 GLU CA C 13 57.864 0.071 . 1 . . . A 111 GLU CA . 17420 1 1181 . 1 1 111 111 GLU CB C 13 30.267 0.104 . 1 . . . A 111 GLU CB . 17420 1 1182 . 1 1 111 111 GLU CG C 13 36.687 0.149 . 1 . . . A 111 GLU CG . 17420 1 1183 . 1 1 111 111 GLU N N 15 120.339 0.037 . 1 . . . A 111 GLU N . 17420 1 1184 . 1 1 112 112 THR H H 1 8.332 0.008 . 1 . . . A 112 THR H . 17420 1 1185 . 1 1 112 112 THR HA H 1 4.156 0.001 . 1 . . . A 112 THR HA . 17420 1 1186 . 1 1 112 112 THR HB H 1 4.239 0.001 . 1 . . . A 112 THR HB . 17420 1 1187 . 1 1 112 112 THR HG21 H 1 1.152 0.003 . 1 . . . A 112 THR HG21 . 17420 1 1188 . 1 1 112 112 THR HG22 H 1 1.152 0.003 . 1 . . . A 112 THR HG22 . 17420 1 1189 . 1 1 112 112 THR HG23 H 1 1.152 0.003 . 1 . . . A 112 THR HG23 . 17420 1 1190 . 1 1 112 112 THR C C 13 174.313 0.01 . 1 . . . A 112 THR C . 17420 1 1191 . 1 1 112 112 THR CA C 13 63.725 0.061 . 1 . . . A 112 THR CA . 17420 1 1192 . 1 1 112 112 THR CB C 13 69.337 0.055 . 1 . . . A 112 THR CB . 17420 1 1193 . 1 1 112 112 THR CG2 C 13 22.105 0.023 . 1 . . . A 112 THR CG2 . 17420 1 1194 . 1 1 112 112 THR N N 15 112.287 0.017 . 1 . . . A 112 THR N . 17420 1 1195 . 1 1 113 113 ASN H H 1 8.316 0.006 . 1 . . . A 113 ASN H . 17420 1 1196 . 1 1 113 113 ASN HA H 1 5.173 0.009 . 1 . . . A 113 ASN HA . 17420 1 1197 . 1 1 113 113 ASN HB2 H 1 2.672 0.01 . 2 . . . A 113 ASN HB2 . 17420 1 1198 . 1 1 113 113 ASN HB3 H 1 2.439 0.01 . 2 . . . A 113 ASN HB3 . 17420 1 1199 . 1 1 113 113 ASN CA C 13 51.378 0.064 . 1 . . . A 113 ASN CA . 17420 1 1200 . 1 1 113 113 ASN N N 15 120.568 0.017 . 1 . . . A 113 ASN N . 17420 1 1201 . 1 1 114 114 PRO HA H 1 4.465 0.013 . 1 . . . A 114 PRO HA . 17420 1 1202 . 1 1 114 114 PRO HB2 H 1 2.611 0.004 . 2 . . . A 114 PRO HB2 . 17420 1 1203 . 1 1 114 114 PRO HB3 H 1 2.611 0.004 . 2 . . . A 114 PRO HB3 . 17420 1 1204 . 1 1 114 114 PRO HG2 H 1 2.220 0.01 . 2 . . . A 114 PRO HG2 . 17420 1 1205 . 1 1 114 114 PRO HG3 H 1 2.135 0.005 . 2 . . . A 114 PRO HG3 . 17420 1 1206 . 1 1 114 114 PRO HD2 H 1 4.050 0.011 . 2 . . . A 114 PRO HD2 . 17420 1 1207 . 1 1 114 114 PRO HD3 H 1 3.629 0.004 . 2 . . . A 114 PRO HD3 . 17420 1 1208 . 1 1 114 114 PRO C C 13 178.148 0.01 . 1 . . . A 114 PRO C . 17420 1 1209 . 1 1 114 114 PRO CA C 13 63.471 0.075 . 1 . . . A 114 PRO CA . 17420 1 1210 . 1 1 114 114 PRO CB C 13 32.804 0.045 . 1 . . . A 114 PRO CB . 17420 1 1211 . 1 1 114 114 PRO CG C 13 27.870 0.010 . 1 . . . A 114 PRO CG . 17420 1 1212 . 1 1 114 114 PRO CD C 13 51.044 0.066 . 1 . . . A 114 PRO CD . 17420 1 1213 . 1 1 115 115 ARG H H 1 9.135 0.004 . 1 . . . A 115 ARG H . 17420 1 1214 . 1 1 115 115 ARG HA H 1 3.757 0.003 . 1 . . . A 115 ARG HA . 17420 1 1215 . 1 1 115 115 ARG HB2 H 1 1.835 0.01 . 2 . . . A 115 ARG HB2 . 17420 1 1216 . 1 1 115 115 ARG HB3 H 1 1.835 0.01 . 2 . . . A 115 ARG HB3 . 17420 1 1217 . 1 1 115 115 ARG C C 13 178.354 0.01 . 1 . . . A 115 ARG C . 17420 1 1218 . 1 1 115 115 ARG CA C 13 60.695 0.037 . 1 . . . A 115 ARG CA . 17420 1 1219 . 1 1 115 115 ARG CB C 13 30.596 0.089 . 1 . . . A 115 ARG CB . 17420 1 1220 . 1 1 115 115 ARG CG C 13 28.863 0.01 . 1 . . . A 115 ARG CG . 17420 1 1221 . 1 1 115 115 ARG CD C 13 43.232 0.01 . 1 . . . A 115 ARG CD . 17420 1 1222 . 1 1 115 115 ARG N N 15 126.303 0.026 . 1 . . . A 115 ARG N . 17420 1 1223 . 1 1 116 116 GLU H H 1 9.636 0.004 . 1 . . . A 116 GLU H . 17420 1 1224 . 1 1 116 116 GLU HA H 1 4.106 0.005 . 1 . . . A 116 GLU HA . 17420 1 1225 . 1 1 116 116 GLU HB2 H 1 2.050 0.004 . 2 . . . A 116 GLU HB2 . 17420 1 1226 . 1 1 116 116 GLU HB3 H 1 2.050 0.004 . 2 . . . A 116 GLU HB3 . 17420 1 1227 . 1 1 116 116 GLU C C 13 178.884 0.01 . 1 . . . A 116 GLU C . 17420 1 1228 . 1 1 116 116 GLU CA C 13 60.145 0.107 . 1 . . . A 116 GLU CA . 17420 1 1229 . 1 1 116 116 GLU CB C 13 28.544 0.011 . 1 . . . A 116 GLU CB . 17420 1 1230 . 1 1 116 116 GLU CG C 13 36.579 0.01 . 1 . . . A 116 GLU CG . 17420 1 1231 . 1 1 116 116 GLU N N 15 117.459 0.014 . 1 . . . A 116 GLU N . 17420 1 1232 . 1 1 117 117 LEU H H 1 6.821 0.003 . 1 . . . A 117 LEU H . 17420 1 1233 . 1 1 117 117 LEU HA H 1 4.318 0.004 . 1 . . . A 117 LEU HA . 17420 1 1234 . 1 1 117 117 LEU HB2 H 1 1.725 0.01 . 2 . . . A 117 LEU HB2 . 17420 1 1235 . 1 1 117 117 LEU HB3 H 1 1.725 0.01 . 2 . . . A 117 LEU HB3 . 17420 1 1236 . 1 1 117 117 LEU HG H 1 1.648 0.01 . 1 . . . A 117 LEU HG . 17420 1 1237 . 1 1 117 117 LEU HD11 H 1 0.895 0.016 . 1 . . . A 117 LEU HD11 . 17420 1 1238 . 1 1 117 117 LEU HD12 H 1 0.895 0.016 . 1 . . . A 117 LEU HD12 . 17420 1 1239 . 1 1 117 117 LEU HD13 H 1 0.895 0.016 . 1 . . . A 117 LEU HD13 . 17420 1 1240 . 1 1 117 117 LEU HD21 H 1 0.930 0.002 . 1 . . . A 117 LEU HD21 . 17420 1 1241 . 1 1 117 117 LEU HD22 H 1 0.930 0.002 . 1 . . . A 117 LEU HD22 . 17420 1 1242 . 1 1 117 117 LEU HD23 H 1 0.930 0.002 . 1 . . . A 117 LEU HD23 . 17420 1 1243 . 1 1 117 117 LEU C C 13 180.096 0.01 . 1 . . . A 117 LEU C . 17420 1 1244 . 1 1 117 117 LEU CA C 13 57.141 0.022 . 1 . . . A 117 LEU CA . 17420 1 1245 . 1 1 117 117 LEU CB C 13 42.153 0.051 . 1 . . . A 117 LEU CB . 17420 1 1246 . 1 1 117 117 LEU CG C 13 27.307 0.035 . 1 . . . A 117 LEU CG . 17420 1 1247 . 1 1 117 117 LEU CD1 C 13 24.246 0.01 . 2 . . . A 117 LEU CD1 . 17420 1 1248 . 1 1 117 117 LEU CD2 C 13 24.227 0.078 . 2 . . . A 117 LEU CD2 . 17420 1 1249 . 1 1 117 117 LEU N N 15 119.695 0.020 . 1 . . . A 117 LEU N . 17420 1 1250 . 1 1 118 118 GLN H H 1 7.574 0.006 . 1 . . . A 118 GLN H . 17420 1 1251 . 1 1 118 118 GLN HA H 1 4.386 0.01 . 1 . . . A 118 GLN HA . 17420 1 1252 . 1 1 118 118 GLN HG2 H 1 2.433 0.01 . 2 . . . A 118 GLN HG2 . 17420 1 1253 . 1 1 118 118 GLN HG3 H 1 2.433 0.01 . 2 . . . A 118 GLN HG3 . 17420 1 1254 . 1 1 118 118 GLN C C 13 177.777 0.01 . 1 . . . A 118 GLN C . 17420 1 1255 . 1 1 118 118 GLN CA C 13 59.494 0.027 . 1 . . . A 118 GLN CA . 17420 1 1256 . 1 1 118 118 GLN CB C 13 29.978 0.032 . 1 . . . A 118 GLN CB . 17420 1 1257 . 1 1 118 118 GLN CG C 13 35.570 0.01 . 1 . . . A 118 GLN CG . 17420 1 1258 . 1 1 118 118 GLN N N 15 119.927 0.048 . 1 . . . A 118 GLN N . 17420 1 1259 . 1 1 119 119 GLN H H 1 8.774 0.004 . 1 . . . A 119 GLN H . 17420 1 1260 . 1 1 119 119 GLN HA H 1 3.860 0.01 . 1 . . . A 119 GLN HA . 17420 1 1261 . 1 1 119 119 GLN HB2 H 1 2.264 0.01 . 2 . . . A 119 GLN HB2 . 17420 1 1262 . 1 1 119 119 GLN HB3 H 1 2.086 0.01 . 2 . . . A 119 GLN HB3 . 17420 1 1263 . 1 1 119 119 GLN C C 13 177.195 0.01 . 1 . . . A 119 GLN C . 17420 1 1264 . 1 1 119 119 GLN CA C 13 60.713 0.029 . 1 . . . A 119 GLN CA . 17420 1 1265 . 1 1 119 119 GLN CB C 13 28.531 0.058 . 1 . . . A 119 GLN CB . 17420 1 1266 . 1 1 119 119 GLN CG C 13 33.700 0.01 . 1 . . . A 119 GLN CG . 17420 1 1267 . 1 1 119 119 GLN N N 15 119.254 0.027 . 1 . . . A 119 GLN N . 17420 1 1268 . 1 1 120 120 SER H H 1 8.143 0.005 . 1 . . . A 120 SER H . 17420 1 1269 . 1 1 120 120 SER HA H 1 4.308 0.01 . 1 . . . A 120 SER HA . 17420 1 1270 . 1 1 120 120 SER HB2 H 1 4.024 0.001 . 2 . . . A 120 SER HB2 . 17420 1 1271 . 1 1 120 120 SER HB3 H 1 4.024 0.001 . 2 . . . A 120 SER HB3 . 17420 1 1272 . 1 1 120 120 SER C C 13 177.897 0.01 . 1 . . . A 120 SER C . 17420 1 1273 . 1 1 120 120 SER CA C 13 61.802 0.041 . 1 . . . A 120 SER CA . 17420 1 1274 . 1 1 120 120 SER CB C 13 62.759 0.073 . 1 . . . A 120 SER CB . 17420 1 1275 . 1 1 120 120 SER N N 15 112.096 0.016 . 1 . . . A 120 SER N . 17420 1 1276 . 1 1 121 121 GLY H H 1 8.230 0.004 . 1 . . . A 121 GLY H . 17420 1 1277 . 1 1 121 121 GLY HA2 H 1 3.929 0.01 . 2 . . . A 121 GLY HA2 . 17420 1 1278 . 1 1 121 121 GLY HA3 H 1 3.929 0.01 . 2 . . . A 121 GLY HA3 . 17420 1 1279 . 1 1 121 121 GLY C C 13 175.674 0.01 . 1 . . . A 121 GLY C . 17420 1 1280 . 1 1 121 121 GLY CA C 13 47.585 0.007 . 1 . . . A 121 GLY CA . 17420 1 1281 . 1 1 121 121 GLY N N 15 111.378 0.052 . 1 . . . A 121 GLY N . 17420 1 1282 . 1 1 122 122 TRP H H 1 8.490 0.007 . 1 . . . A 122 TRP H . 17420 1 1283 . 1 1 122 122 TRP HA H 1 4.090 0.007 . 1 . . . A 122 TRP HA . 17420 1 1284 . 1 1 122 122 TRP HB2 H 1 3.055 0.009 . 2 . . . A 122 TRP HB2 . 17420 1 1285 . 1 1 122 122 TRP HB3 H 1 3.055 0.009 . 2 . . . A 122 TRP HB3 . 17420 1 1286 . 1 1 122 122 TRP HD1 H 1 7.428 0.002 . 1 . . . A 122 TRP HD1 . 17420 1 1287 . 1 1 122 122 TRP HE1 H 1 9.806 0.01 . 1 . . . A 122 TRP HE1 . 17420 1 1288 . 1 1 122 122 TRP HZ2 H 1 6.874 0.01 . 1 . . . A 122 TRP HZ2 . 17420 1 1289 . 1 1 122 122 TRP C C 13 180.156 0.01 . 1 . . . A 122 TRP C . 17420 1 1290 . 1 1 122 122 TRP CA C 13 61.967 0.127 . 1 . . . A 122 TRP CA . 17420 1 1291 . 1 1 122 122 TRP CB C 13 28.124 0.051 . 1 . . . A 122 TRP CB . 17420 1 1292 . 1 1 122 122 TRP CD1 C 13 127.650 0.01 . 1 . . . A 122 TRP CD1 . 17420 1 1293 . 1 1 122 122 TRP CZ2 C 13 113.296 0.01 . 1 . . . A 122 TRP CZ2 . 17420 1 1294 . 1 1 122 122 TRP N N 15 121.520 0.036 . 1 . . . A 122 TRP N . 17420 1 1295 . 1 1 122 122 TRP NE1 N 15 129.891 0.01 . 1 . . . A 122 TRP NE1 . 17420 1 1296 . 1 1 123 123 GLN H H 1 8.926 0.004 . 1 . . . A 123 GLN H . 17420 1 1297 . 1 1 123 123 GLN HA H 1 3.934 0.002 . 1 . . . A 123 GLN HA . 17420 1 1298 . 1 1 123 123 GLN HB2 H 1 2.547 0.003 . 2 . . . A 123 GLN HB2 . 17420 1 1299 . 1 1 123 123 GLN HB3 H 1 2.274 0.014 . 2 . . . A 123 GLN HB3 . 17420 1 1300 . 1 1 123 123 GLN C C 13 177.498 0.01 . 1 . . . A 123 GLN C . 17420 1 1301 . 1 1 123 123 GLN CA C 13 58.612 0.027 . 1 . . . A 123 GLN CA . 17420 1 1302 . 1 1 123 123 GLN CB C 13 29.452 0.051 . 1 . . . A 123 GLN CB . 17420 1 1303 . 1 1 123 123 GLN CG C 13 34.158 0.01 . 1 . . . A 123 GLN CG . 17420 1 1304 . 1 1 123 123 GLN N N 15 120.843 0.025 . 1 . . . A 123 GLN N . 17420 1 1305 . 1 1 124 124 ALA H H 1 8.342 0.004 . 1 . . . A 124 ALA H . 17420 1 1306 . 1 1 124 124 ALA HA H 1 4.237 0.01 . 1 . . . A 124 ALA HA . 17420 1 1307 . 1 1 124 124 ALA HB1 H 1 1.739 0.004 . 1 . . . A 124 ALA HB1 . 17420 1 1308 . 1 1 124 124 ALA HB2 H 1 1.739 0.004 . 1 . . . A 124 ALA HB2 . 17420 1 1309 . 1 1 124 124 ALA HB3 H 1 1.739 0.004 . 1 . . . A 124 ALA HB3 . 17420 1 1310 . 1 1 124 124 ALA C C 13 181.496 0.01 . 1 . . . A 124 ALA C . 17420 1 1311 . 1 1 124 124 ALA CA C 13 55.627 0.068 . 1 . . . A 124 ALA CA . 17420 1 1312 . 1 1 124 124 ALA CB C 13 18.251 0.070 . 1 . . . A 124 ALA CB . 17420 1 1313 . 1 1 124 124 ALA N N 15 122.100 0.015 . 1 . . . A 124 ALA N . 17420 1 1314 . 1 1 125 125 ILE H H 1 7.551 0.004 . 1 . . . A 125 ILE H . 17420 1 1315 . 1 1 125 125 ILE HA H 1 3.816 0.003 . 1 . . . A 125 ILE HA . 17420 1 1316 . 1 1 125 125 ILE HB H 1 1.805 0.002 . 1 . . . A 125 ILE HB . 17420 1 1317 . 1 1 125 125 ILE HG12 H 1 0.559 0.005 . 2 . . . A 125 ILE HG12 . 17420 1 1318 . 1 1 125 125 ILE HG13 H 1 1.444 0.006 . 2 . . . A 125 ILE HG13 . 17420 1 1319 . 1 1 125 125 ILE HG21 H 1 1.054 0.01 . 1 . . . A 125 ILE HG21 . 17420 1 1320 . 1 1 125 125 ILE HG22 H 1 1.054 0.01 . 1 . . . A 125 ILE HG22 . 17420 1 1321 . 1 1 125 125 ILE HG23 H 1 1.054 0.01 . 1 . . . A 125 ILE HG23 . 17420 1 1322 . 1 1 125 125 ILE HD11 H 1 0.196 0.009 . 1 . . . A 125 ILE HD11 . 17420 1 1323 . 1 1 125 125 ILE HD12 H 1 0.196 0.009 . 1 . . . A 125 ILE HD12 . 17420 1 1324 . 1 1 125 125 ILE HD13 H 1 0.196 0.009 . 1 . . . A 125 ILE HD13 . 17420 1 1325 . 1 1 125 125 ILE C C 13 177.883 0.01 . 1 . . . A 125 ILE C . 17420 1 1326 . 1 1 125 125 ILE CA C 13 65.666 0.020 . 1 . . . A 125 ILE CA . 17420 1 1327 . 1 1 125 125 ILE CB C 13 37.759 0.059 . 1 . . . A 125 ILE CB . 17420 1 1328 . 1 1 125 125 ILE CG1 C 13 29.467 0.064 . 1 . . . A 125 ILE CG1 . 17420 1 1329 . 1 1 125 125 ILE CG2 C 13 19.468 0.028 . 1 . . . A 125 ILE CG2 . 17420 1 1330 . 1 1 125 125 ILE CD1 C 13 12.445 0.038 . 1 . . . A 125 ILE CD1 . 17420 1 1331 . 1 1 125 125 ILE N N 15 120.310 0.011 . 1 . . . A 125 ILE N . 17420 1 1332 . 1 1 126 126 LEU H H 1 7.625 0.003 . 1 . . . A 126 LEU H . 17420 1 1333 . 1 1 126 126 LEU HA H 1 4.185 0.002 . 1 . . . A 126 LEU HA . 17420 1 1334 . 1 1 126 126 LEU HB2 H 1 2.050 0.01 . 2 . . . A 126 LEU HB2 . 17420 1 1335 . 1 1 126 126 LEU HB3 H 1 1.448 0.001 . 2 . . . A 126 LEU HB3 . 17420 1 1336 . 1 1 126 126 LEU HG H 1 1.897 0.01 . 1 . . . A 126 LEU HG . 17420 1 1337 . 1 1 126 126 LEU HD11 H 1 0.856 0.008 . 1 . . . A 126 LEU HD11 . 17420 1 1338 . 1 1 126 126 LEU HD12 H 1 0.856 0.008 . 1 . . . A 126 LEU HD12 . 17420 1 1339 . 1 1 126 126 LEU HD13 H 1 0.856 0.008 . 1 . . . A 126 LEU HD13 . 17420 1 1340 . 1 1 126 126 LEU C C 13 179.489 0.01 . 1 . . . A 126 LEU C . 17420 1 1341 . 1 1 126 126 LEU CA C 13 58.332 0.042 . 1 . . . A 126 LEU CA . 17420 1 1342 . 1 1 126 126 LEU CB C 13 41.108 0.056 . 1 . . . A 126 LEU CB . 17420 1 1343 . 1 1 126 126 LEU CG C 13 26.733 0.01 . 1 . . . A 126 LEU CG . 17420 1 1344 . 1 1 126 126 LEU CD1 C 13 23.504 0.131 . 2 . . . A 126 LEU CD1 . 17420 1 1345 . 1 1 126 126 LEU N N 15 120.093 0.029 . 1 . . . A 126 LEU N . 17420 1 1346 . 1 1 127 127 ASN H H 1 8.953 0.008 . 1 . . . A 127 ASN H . 17420 1 1347 . 1 1 127 127 ASN HB2 H 1 3.072 0.01 . 2 . . . A 127 ASN HB2 . 17420 1 1348 . 1 1 127 127 ASN HB3 H 1 2.962 0.003 . 2 . . . A 127 ASN HB3 . 17420 1 1349 . 1 1 127 127 ASN HD21 H 1 7.755 0.006 . 2 . . . A 127 ASN HD21 . 17420 1 1350 . 1 1 127 127 ASN HD22 H 1 7.128 0.003 . 2 . . . A 127 ASN HD22 . 17420 1 1351 . 1 1 127 127 ASN C C 13 178.726 0.01 . 1 . . . A 127 ASN C . 17420 1 1352 . 1 1 127 127 ASN CA C 13 55.879 0.031 . 1 . . . A 127 ASN CA . 17420 1 1353 . 1 1 127 127 ASN CB C 13 37.105 0.019 . 1 . . . A 127 ASN CB . 17420 1 1354 . 1 1 127 127 ASN N N 15 119.275 0.036 . 1 . . . A 127 ASN N . 17420 1 1355 . 1 1 127 127 ASN ND2 N 15 109.925 0.003 . 1 . . . A 127 ASN ND2 . 17420 1 1356 . 1 1 128 128 SER H H 1 8.300 0.003 . 1 . . . A 128 SER H . 17420 1 1357 . 1 1 128 128 SER HA H 1 4.902 0.01 . 1 . . . A 128 SER HA . 17420 1 1358 . 1 1 128 128 SER C C 13 177.704 0.01 . 1 . . . A 128 SER C . 17420 1 1359 . 1 1 128 128 SER CA C 13 60.877 0.039 . 1 . . . A 128 SER CA . 17420 1 1360 . 1 1 128 128 SER CB C 13 62.879 0.01 . 1 . . . A 128 SER CB . 17420 1 1361 . 1 1 128 128 SER N N 15 118.677 0.011 . 1 . . . A 128 SER N . 17420 1 1362 . 1 1 129 129 PHE H H 1 8.849 0.005 . 1 . . . A 129 PHE H . 17420 1 1363 . 1 1 129 129 PHE HA H 1 3.717 0.191 . 1 . . . A 129 PHE HA . 17420 1 1364 . 1 1 129 129 PHE HB2 H 1 3.100 0.004 . 2 . . . A 129 PHE HB2 . 17420 1 1365 . 1 1 129 129 PHE HB3 H 1 2.602 0.001 . 2 . . . A 129 PHE HB3 . 17420 1 1366 . 1 1 129 129 PHE C C 13 178.061 0.01 . 1 . . . A 129 PHE C . 17420 1 1367 . 1 1 129 129 PHE CA C 13 62.818 0.070 . 1 . . . A 129 PHE CA . 17420 1 1368 . 1 1 129 129 PHE CB C 13 37.907 0.017 . 1 . . . A 129 PHE CB . 17420 1 1369 . 1 1 129 129 PHE N N 15 121.825 0.031 . 1 . . . A 129 PHE N . 17420 1 1370 . 1 1 130 130 LYS H H 1 8.597 0.013 . 1 . . . A 130 LYS H . 17420 1 1371 . 1 1 130 130 LYS HA H 1 3.575 0.001 . 1 . . . A 130 LYS HA . 17420 1 1372 . 1 1 130 130 LYS HG2 H 1 1.700 0.01 . 2 . . . A 130 LYS HG2 . 17420 1 1373 . 1 1 130 130 LYS HG3 H 1 1.067 0.01 . 2 . . . A 130 LYS HG3 . 17420 1 1374 . 1 1 130 130 LYS C C 13 176.682 0.01 . 1 . . . A 130 LYS C . 17420 1 1375 . 1 1 130 130 LYS CA C 13 60.148 0.036 . 1 . . . A 130 LYS CA . 17420 1 1376 . 1 1 130 130 LYS CB C 13 33.524 0.088 . 1 . . . A 130 LYS CB . 17420 1 1377 . 1 1 130 130 LYS CG C 13 24.851 0.163 . 1 . . . A 130 LYS CG . 17420 1 1378 . 1 1 130 130 LYS N N 15 121.637 0.027 . 1 . . . A 130 LYS N . 17420 1 1379 . 1 1 131 131 SER H H 1 7.986 0.003 . 1 . . . A 131 SER H . 17420 1 1380 . 1 1 131 131 SER C C 13 176.860 0.01 . 1 . . . A 131 SER C . 17420 1 1381 . 1 1 131 131 SER CA C 13 61.319 0.081 . 1 . . . A 131 SER CA . 17420 1 1382 . 1 1 131 131 SER CB C 13 63.141 0.043 . 1 . . . A 131 SER CB . 17420 1 1383 . 1 1 131 131 SER N N 15 112.227 0.022 . 1 . . . A 131 SER N . 17420 1 1384 . 1 1 132 132 TYR H H 1 8.596 0.005 . 1 . . . A 132 TYR H . 17420 1 1385 . 1 1 132 132 TYR HA H 1 4.139 0.01 . 1 . . . A 132 TYR HA . 17420 1 1386 . 1 1 132 132 TYR HB2 H 1 3.318 0.005 . 2 . . . A 132 TYR HB2 . 17420 1 1387 . 1 1 132 132 TYR HB3 H 1 2.808 0.01 . 2 . . . A 132 TYR HB3 . 17420 1 1388 . 1 1 132 132 TYR C C 13 177.789 0.01 . 1 . . . A 132 TYR C . 17420 1 1389 . 1 1 132 132 TYR CA C 13 61.530 0.01 . 1 . . . A 132 TYR CA . 17420 1 1390 . 1 1 132 132 TYR CB C 13 39.482 0.061 . 1 . . . A 132 TYR CB . 17420 1 1391 . 1 1 132 132 TYR N N 15 121.273 0.046 . 1 . . . A 132 TYR N . 17420 1 1392 . 1 1 133 133 THR H H 1 8.202 0.004 . 1 . . . A 133 THR H . 17420 1 1393 . 1 1 133 133 THR HA H 1 3.385 0.003 . 1 . . . A 133 THR HA . 17420 1 1394 . 1 1 133 133 THR HB H 1 3.454 0.01 . 1 . . . A 133 THR HB . 17420 1 1395 . 1 1 133 133 THR HG21 H 1 0.585 0.009 . 1 . . . A 133 THR HG21 . 17420 1 1396 . 1 1 133 133 THR HG22 H 1 0.585 0.009 . 1 . . . A 133 THR HG22 . 17420 1 1397 . 1 1 133 133 THR HG23 H 1 0.585 0.009 . 1 . . . A 133 THR HG23 . 17420 1 1398 . 1 1 133 133 THR C C 13 175.942 0.01 . 1 . . . A 133 THR C . 17420 1 1399 . 1 1 133 133 THR CA C 13 67.000 0.116 . 1 . . . A 133 THR CA . 17420 1 1400 . 1 1 133 133 THR CB C 13 67.562 0.040 . 1 . . . A 133 THR CB . 17420 1 1401 . 1 1 133 133 THR CG2 C 13 21.712 0.023 . 1 . . . A 133 THR CG2 . 17420 1 1402 . 1 1 133 133 THR N N 15 116.728 0.011 . 1 . . . A 133 THR N . 17420 1 1403 . 1 1 134 134 GLU H H 1 8.003 0.004 . 1 . . . A 134 GLU H . 17420 1 1404 . 1 1 134 134 GLU HA H 1 3.864 0.01 . 1 . . . A 134 GLU HA . 17420 1 1405 . 1 1 134 134 GLU HB2 H 1 2.036 0.01 . 2 . . . A 134 GLU HB2 . 17420 1 1406 . 1 1 134 134 GLU HB3 H 1 2.036 0.01 . 2 . . . A 134 GLU HB3 . 17420 1 1407 . 1 1 134 134 GLU C C 13 177.757 0.01 . 1 . . . A 134 GLU C . 17420 1 1408 . 1 1 134 134 GLU CA C 13 58.313 0.023 . 1 . . . A 134 GLU CA . 17420 1 1409 . 1 1 134 134 GLU CB C 13 29.410 0.055 . 1 . . . A 134 GLU CB . 17420 1 1410 . 1 1 134 134 GLU CG C 13 35.933 0.01 . 1 . . . A 134 GLU CG . 17420 1 1411 . 1 1 134 134 GLU N N 15 116.916 0.050 . 1 . . . A 134 GLU N . 17420 1 1412 . 1 1 135 135 ASN H H 1 7.589 0.004 . 1 . . . A 135 ASN H . 17420 1 1413 . 1 1 135 135 ASN HA H 1 4.686 0.01 . 1 . . . A 135 ASN HA . 17420 1 1414 . 1 1 135 135 ASN HB2 H 1 2.792 0.01 . 2 . . . A 135 ASN HB2 . 17420 1 1415 . 1 1 135 135 ASN HB3 H 1 2.792 0.01 . 2 . . . A 135 ASN HB3 . 17420 1 1416 . 1 1 135 135 ASN C C 13 175.094 0.01 . 1 . . . A 135 ASN C . 17420 1 1417 . 1 1 135 135 ASN CA C 13 54.198 0.01 . 1 . . . A 135 ASN CA . 17420 1 1418 . 1 1 135 135 ASN CB C 13 39.378 0.01 . 1 . . . A 135 ASN CB . 17420 1 1419 . 1 1 135 135 ASN N N 15 115.343 0.018 . 1 . . . A 135 ASN N . 17420 1 1420 . 1 1 136 136 ASN H H 1 7.820 0.004 . 1 . . . A 136 ASN H . 17420 1 1421 . 1 1 136 136 ASN HA H 1 4.604 0.01 . 1 . . . A 136 ASN HA . 17420 1 1422 . 1 1 136 136 ASN HB2 H 1 2.595 0.01 . 2 . . . A 136 ASN HB2 . 17420 1 1423 . 1 1 136 136 ASN HB3 H 1 2.389 0.01 . 2 . . . A 136 ASN HB3 . 17420 1 1424 . 1 1 136 136 ASN C C 13 175.057 0.01 . 1 . . . A 136 ASN C . 17420 1 1425 . 1 1 136 136 ASN CA C 13 54.203 0.033 . 1 . . . A 136 ASN CA . 17420 1 1426 . 1 1 136 136 ASN CB C 13 39.182 0.050 . 1 . . . A 136 ASN CB . 17420 1 1427 . 1 1 136 136 ASN N N 15 119.411 0.019 . 1 . . . A 136 ASN N . 17420 1 1428 . 1 1 137 137 LEU H H 1 8.140 0.005 . 1 . . . A 137 LEU H . 17420 1 1429 . 1 1 137 137 LEU HA H 1 4.274 0.003 . 1 . . . A 137 LEU HA . 17420 1 1430 . 1 1 137 137 LEU HB2 H 1 1.607 0.01 . 2 . . . A 137 LEU HB2 . 17420 1 1431 . 1 1 137 137 LEU HB3 H 1 1.481 0.01 . 2 . . . A 137 LEU HB3 . 17420 1 1432 . 1 1 137 137 LEU HG H 1 1.627 0.01 . 1 . . . A 137 LEU HG . 17420 1 1433 . 1 1 137 137 LEU HD11 H 1 0.824 0.027 . 1 . . . A 137 LEU HD11 . 17420 1 1434 . 1 1 137 137 LEU HD12 H 1 0.824 0.027 . 1 . . . A 137 LEU HD12 . 17420 1 1435 . 1 1 137 137 LEU HD13 H 1 0.824 0.027 . 1 . . . A 137 LEU HD13 . 17420 1 1436 . 1 1 137 137 LEU HD21 H 1 0.823 0.035 . 1 . . . A 137 LEU HD21 . 17420 1 1437 . 1 1 137 137 LEU HD22 H 1 0.823 0.035 . 1 . . . A 137 LEU HD22 . 17420 1 1438 . 1 1 137 137 LEU HD23 H 1 0.823 0.035 . 1 . . . A 137 LEU HD23 . 17420 1 1439 . 1 1 137 137 LEU C C 13 177.210 0.01 . 1 . . . A 137 LEU C . 17420 1 1440 . 1 1 137 137 LEU CA C 13 55.387 0.056 . 1 . . . A 137 LEU CA . 17420 1 1441 . 1 1 137 137 LEU CB C 13 42.217 0.027 . 1 . . . A 137 LEU CB . 17420 1 1442 . 1 1 137 137 LEU CG C 13 27.070 0.301 . 1 . . . A 137 LEU CG . 17420 1 1443 . 1 1 137 137 LEU CD1 C 13 23.243 0.083 . 2 . . . A 137 LEU CD1 . 17420 1 1444 . 1 1 137 137 LEU CD2 C 13 23.346 0.019 . 2 . . . A 137 LEU CD2 . 17420 1 1445 . 1 1 137 137 LEU N N 15 123.230 0.030 . 1 . . . A 137 LEU N . 17420 1 1446 . 1 1 138 138 GLU H H 1 8.225 0.022 . 1 . . . A 138 GLU H . 17420 1 1447 . 1 1 138 138 GLU HA H 1 4.165 0.006 . 1 . . . A 138 GLU HA . 17420 1 1448 . 1 1 138 138 GLU C C 13 176.350 0.01 . 1 . . . A 138 GLU C . 17420 1 1449 . 1 1 138 138 GLU CA C 13 56.912 0.071 . 1 . . . A 138 GLU CA . 17420 1 1450 . 1 1 138 138 GLU CB C 13 30.053 0.082 . 1 . . . A 138 GLU CB . 17420 1 1451 . 1 1 138 138 GLU CG C 13 36.367 0.01 . 1 . . . A 138 GLU CG . 17420 1 1452 . 1 1 138 138 GLU N N 15 120.588 0.019 . 1 . . . A 138 GLU N . 17420 1 1453 . 1 1 139 139 HIS H H 1 8.160 0.003 . 1 . . . A 139 HIS H . 17420 1 1454 . 1 1 139 139 HIS CA C 13 56.362 0.01 . 1 . . . A 139 HIS CA . 17420 1 1455 . 1 1 139 139 HIS CB C 13 30.685 0.01 . 1 . . . A 139 HIS CB . 17420 1 1456 . 1 1 139 139 HIS N N 15 119.438 0.009 . 1 . . . A 139 HIS N . 17420 1 stop_ save_