data_5786 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5786 _Entry.Title ; Solution Structure of Neural Cadherin Prodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-28 _Entry.Accession_date 2003-04-29 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 A. Koch . W. . 5786 2 A. Farooq . . . 5786 3 W. Shan . . . 5786 4 G. Gruzglin . . . 5786 5 L. Zeng . . . 5786 6 D. Colman . R. . 5786 7 M.-M. Zhou . . . 5786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 416 5786 '15N chemical shifts' 118 5786 '1H chemical shifts' 621 5786 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 . . 2004-02-11 2003-04-28 original author . 5786 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1OP4 'BMRB Entry Tracking System' 5786 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5786 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14739643 _Citation.Full_citation . _Citation.Title 'Letter to the Editor: 1H, 15N and 13C resonance assignments for the N-cadherin prodomain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 1 _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 87 _Citation.Page_last 88 _Citation.Year 2004 _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 Alexander Koch . W. . 5786 1 2 Amjad Farooq . . . 5786 1 3 Lei Zeng . . . 5786 1 4 David Colman . R. . 5786 1 5 M.-M. Zhou . . . 5786 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta sandwich' 5786 1 'cadherin-like domain' 5786 1 N-cadherin 5786 1 prodomain 5786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_N-cadherin _Assembly.Sf_category assembly _Assembly.Sf_framecode N-cadherin _Assembly.Entry_ID 5786 _Assembly.ID 1 _Assembly.Name 'Neural cadherin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5786 1 stop_ 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 'N-cadherin, prodomain' 1 $NPro . . . native . . . . . 5786 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 32 32 SG . 1 . 1 CYS 63 63 SG . . . . . . . . . . 5786 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1OP4 . . . . . . 5786 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID N-cadherin abbreviation 5786 1 'Neural cadherin' system 5786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NPro _Entity.Sf_category entity _Entity.Sf_framecode NPro _Entity.Entry_ID 5786 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-cadherin prodomain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHHHHHHHHHHSSGHIDDDD KHMEASGEIALCKTGFPEDV YSAVLPKDVHEGQPLLNVKF SNCNRKRKVQYESSEPADFK VDEDGTVYAVRSFPLTAEQA KFLIYAQDKETQEKWQVAVN LSREPTLTEEPMKEPHEIEE IVFPRQLAKHSGALQRQKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'N-cadherin prodomain' common 5786 1 NPro abbreviation 5786 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 . 5786 1 2 . HIS . 5786 1 3 . HIS . 5786 1 4 . HIS . 5786 1 5 . HIS . 5786 1 6 . HIS . 5786 1 7 . HIS . 5786 1 8 . HIS . 5786 1 9 . HIS . 5786 1 10 . HIS . 5786 1 11 . HIS . 5786 1 12 . SER . 5786 1 13 . SER . 5786 1 14 . GLY . 5786 1 15 . HIS . 5786 1 16 . ILE . 5786 1 17 . ASP . 5786 1 18 . ASP . 5786 1 19 . ASP . 5786 1 20 . ASP . 5786 1 21 . LYS . 5786 1 22 . HIS . 5786 1 23 . MET . 5786 1 24 . GLU . 5786 1 25 . ALA . 5786 1 26 . SER . 5786 1 27 . GLY . 5786 1 28 . GLU . 5786 1 29 . ILE . 5786 1 30 . ALA . 5786 1 31 . LEU . 5786 1 32 . CYS . 5786 1 33 . LYS . 5786 1 34 . THR . 5786 1 35 . GLY . 5786 1 36 . PHE . 5786 1 37 . PRO . 5786 1 38 . GLU . 5786 1 39 . ASP . 5786 1 40 . VAL . 5786 1 41 . TYR . 5786 1 42 . SER . 5786 1 43 . ALA . 5786 1 44 . VAL . 5786 1 45 . LEU . 5786 1 46 . PRO . 5786 1 47 . LYS . 5786 1 48 . ASP . 5786 1 49 . VAL . 5786 1 50 . HIS . 5786 1 51 . GLU . 5786 1 52 . GLY . 5786 1 53 . GLN . 5786 1 54 . PRO . 5786 1 55 . LEU . 5786 1 56 . LEU . 5786 1 57 . ASN . 5786 1 58 . VAL . 5786 1 59 . LYS . 5786 1 60 . PHE . 5786 1 61 . SER . 5786 1 62 . ASN . 5786 1 63 . CYS . 5786 1 64 . ASN . 5786 1 65 . ARG . 5786 1 66 . LYS . 5786 1 67 . ARG . 5786 1 68 . LYS . 5786 1 69 . VAL . 5786 1 70 . GLN . 5786 1 71 . TYR . 5786 1 72 . GLU . 5786 1 73 . SER . 5786 1 74 . SER . 5786 1 75 . GLU . 5786 1 76 . PRO . 5786 1 77 . ALA . 5786 1 78 . ASP . 5786 1 79 . PHE . 5786 1 80 . LYS . 5786 1 81 . VAL . 5786 1 82 . ASP . 5786 1 83 . GLU . 5786 1 84 . ASP . 5786 1 85 . GLY . 5786 1 86 . THR . 5786 1 87 . VAL . 5786 1 88 . TYR . 5786 1 89 . ALA . 5786 1 90 . VAL . 5786 1 91 . ARG . 5786 1 92 . SER . 5786 1 93 . PHE . 5786 1 94 . PRO . 5786 1 95 . LEU . 5786 1 96 . THR . 5786 1 97 . ALA . 5786 1 98 . GLU . 5786 1 99 . GLN . 5786 1 100 . ALA . 5786 1 101 . LYS . 5786 1 102 . PHE . 5786 1 103 . LEU . 5786 1 104 . ILE . 5786 1 105 . TYR . 5786 1 106 . ALA . 5786 1 107 . GLN . 5786 1 108 . ASP . 5786 1 109 . LYS . 5786 1 110 . GLU . 5786 1 111 . THR . 5786 1 112 . GLN . 5786 1 113 . GLU . 5786 1 114 . LYS . 5786 1 115 . TRP . 5786 1 116 . GLN . 5786 1 117 . VAL . 5786 1 118 . ALA . 5786 1 119 . VAL . 5786 1 120 . ASN . 5786 1 121 . LEU . 5786 1 122 . SER . 5786 1 123 . ARG . 5786 1 124 . GLU . 5786 1 125 . PRO . 5786 1 126 . THR . 5786 1 127 . LEU . 5786 1 128 . THR . 5786 1 129 . GLU . 5786 1 130 . GLU . 5786 1 131 . PRO . 5786 1 132 . MET . 5786 1 133 . LYS . 5786 1 134 . GLU . 5786 1 135 . PRO . 5786 1 136 . HIS . 5786 1 137 . GLU . 5786 1 138 . ILE . 5786 1 139 . GLU . 5786 1 140 . GLU . 5786 1 141 . ILE . 5786 1 142 . VAL . 5786 1 143 . PHE . 5786 1 144 . PRO . 5786 1 145 . ARG . 5786 1 146 . GLN . 5786 1 147 . LEU . 5786 1 148 . ALA . 5786 1 149 . LYS . 5786 1 150 . HIS . 5786 1 151 . SER . 5786 1 152 . GLY . 5786 1 153 . ALA . 5786 1 154 . LEU . 5786 1 155 . GLN . 5786 1 156 . ARG . 5786 1 157 . GLN . 5786 1 158 . LYS . 5786 1 159 . ARG . 5786 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 5786 1 . HIS 2 2 5786 1 . HIS 3 3 5786 1 . HIS 4 4 5786 1 . HIS 5 5 5786 1 . HIS 6 6 5786 1 . HIS 7 7 5786 1 . HIS 8 8 5786 1 . HIS 9 9 5786 1 . HIS 10 10 5786 1 . HIS 11 11 5786 1 . SER 12 12 5786 1 . SER 13 13 5786 1 . GLY 14 14 5786 1 . HIS 15 15 5786 1 . ILE 16 16 5786 1 . ASP 17 17 5786 1 . ASP 18 18 5786 1 . ASP 19 19 5786 1 . ASP 20 20 5786 1 . LYS 21 21 5786 1 . HIS 22 22 5786 1 . MET 23 23 5786 1 . GLU 24 24 5786 1 . ALA 25 25 5786 1 . SER 26 26 5786 1 . GLY 27 27 5786 1 . GLU 28 28 5786 1 . ILE 29 29 5786 1 . ALA 30 30 5786 1 . LEU 31 31 5786 1 . CYS 32 32 5786 1 . LYS 33 33 5786 1 . THR 34 34 5786 1 . GLY 35 35 5786 1 . PHE 36 36 5786 1 . PRO 37 37 5786 1 . GLU 38 38 5786 1 . ASP 39 39 5786 1 . VAL 40 40 5786 1 . TYR 41 41 5786 1 . SER 42 42 5786 1 . ALA 43 43 5786 1 . VAL 44 44 5786 1 . LEU 45 45 5786 1 . PRO 46 46 5786 1 . LYS 47 47 5786 1 . ASP 48 48 5786 1 . VAL 49 49 5786 1 . HIS 50 50 5786 1 . GLU 51 51 5786 1 . GLY 52 52 5786 1 . GLN 53 53 5786 1 . PRO 54 54 5786 1 . LEU 55 55 5786 1 . LEU 56 56 5786 1 . ASN 57 57 5786 1 . VAL 58 58 5786 1 . LYS 59 59 5786 1 . PHE 60 60 5786 1 . SER 61 61 5786 1 . ASN 62 62 5786 1 . CYS 63 63 5786 1 . ASN 64 64 5786 1 . ARG 65 65 5786 1 . LYS 66 66 5786 1 . ARG 67 67 5786 1 . LYS 68 68 5786 1 . VAL 69 69 5786 1 . GLN 70 70 5786 1 . TYR 71 71 5786 1 . GLU 72 72 5786 1 . SER 73 73 5786 1 . SER 74 74 5786 1 . GLU 75 75 5786 1 . PRO 76 76 5786 1 . ALA 77 77 5786 1 . ASP 78 78 5786 1 . PHE 79 79 5786 1 . LYS 80 80 5786 1 . VAL 81 81 5786 1 . ASP 82 82 5786 1 . GLU 83 83 5786 1 . ASP 84 84 5786 1 . GLY 85 85 5786 1 . THR 86 86 5786 1 . VAL 87 87 5786 1 . TYR 88 88 5786 1 . ALA 89 89 5786 1 . VAL 90 90 5786 1 . ARG 91 91 5786 1 . SER 92 92 5786 1 . PHE 93 93 5786 1 . PRO 94 94 5786 1 . LEU 95 95 5786 1 . THR 96 96 5786 1 . ALA 97 97 5786 1 . GLU 98 98 5786 1 . GLN 99 99 5786 1 . ALA 100 100 5786 1 . LYS 101 101 5786 1 . PHE 102 102 5786 1 . LEU 103 103 5786 1 . ILE 104 104 5786 1 . TYR 105 105 5786 1 . ALA 106 106 5786 1 . GLN 107 107 5786 1 . ASP 108 108 5786 1 . LYS 109 109 5786 1 . GLU 110 110 5786 1 . THR 111 111 5786 1 . GLN 112 112 5786 1 . GLU 113 113 5786 1 . LYS 114 114 5786 1 . TRP 115 115 5786 1 . GLN 116 116 5786 1 . VAL 117 117 5786 1 . ALA 118 118 5786 1 . VAL 119 119 5786 1 . ASN 120 120 5786 1 . LEU 121 121 5786 1 . SER 122 122 5786 1 . ARG 123 123 5786 1 . GLU 124 124 5786 1 . PRO 125 125 5786 1 . THR 126 126 5786 1 . LEU 127 127 5786 1 . THR 128 128 5786 1 . GLU 129 129 5786 1 . GLU 130 130 5786 1 . PRO 131 131 5786 1 . MET 132 132 5786 1 . LYS 133 133 5786 1 . GLU 134 134 5786 1 . PRO 135 135 5786 1 . HIS 136 136 5786 1 . GLU 137 137 5786 1 . ILE 138 138 5786 1 . GLU 139 139 5786 1 . GLU 140 140 5786 1 . ILE 141 141 5786 1 . VAL 142 142 5786 1 . PHE 143 143 5786 1 . PRO 144 144 5786 1 . ARG 145 145 5786 1 . GLN 146 146 5786 1 . LEU 147 147 5786 1 . ALA 148 148 5786 1 . LYS 149 149 5786 1 . HIS 150 150 5786 1 . SER 151 151 5786 1 . GLY 152 152 5786 1 . ALA 153 153 5786 1 . LEU 154 154 5786 1 . GLN 155 155 5786 1 . ARG 156 156 5786 1 . GLN 157 157 5786 1 . LYS 158 158 5786 1 . ARG 159 159 5786 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 5786 _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 $NPro . 10090 . . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5786 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 5786 _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 $NPro . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5786 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5786 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'N-cadherin prodomain' '[U-13C; U-15N]' . . 1 $NPro . . 1 . . mM . . . . 5786 1 2 Phosphate . . . . . . . 50 . . mM . . . . 5786 1 3 H2O . . . . . . . 90 . . % . . . . 5786 1 4 D2O . . . . . . . 10 . . % . . . . 5786 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5786 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5786 1 pressure 1 . atm 5786 1 temperature 303 1 K 5786 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5786 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5786 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5786 _Software.ID 2 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5786 2 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5786 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5786 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5786 _Software.ID 4 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5786 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5786 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 5786 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 5786 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5786 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5786 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5786 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5786 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5786 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5786 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5786 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5786 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5786 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5786 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5786 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 24 24 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 5786 1 2 . 1 1 24 24 GLU HA H 1 4.29 0.03 . 1 . . . . . . . . 5786 1 3 . 1 1 24 24 GLU HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5786 1 4 . 1 1 24 24 GLU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 5786 1 5 . 1 1 24 24 GLU HG3 H 1 2.28 0.03 . 1 . . . . . . . . 5786 1 6 . 1 1 24 24 GLU CA C 13 56.56 0.3 . 1 . . . . . . . . 5786 1 7 . 1 1 24 24 GLU CB C 13 29.50 0.3 . 1 . . . . . . . . 5786 1 8 . 1 1 24 24 GLU CG C 13 35.85 0.3 . 1 . . . . . . . . 5786 1 9 . 1 1 24 24 GLU N N 15 122.31 0.3 . 1 . . . . . . . . 5786 1 10 . 1 1 25 25 ALA H H 1 8.36 0.03 . 1 . . . . . . . . 5786 1 11 . 1 1 25 25 ALA HA H 1 4.29 0.03 . 1 . . . . . . . . 5786 1 12 . 1 1 25 25 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 5786 1 13 . 1 1 25 25 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 5786 1 14 . 1 1 25 25 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 5786 1 15 . 1 1 25 25 ALA CA C 13 52.53 0.3 . 1 . . . . . . . . 5786 1 16 . 1 1 25 25 ALA CB C 13 18.86 0.3 . 1 . . . . . . . . 5786 1 17 . 1 1 25 25 ALA N N 15 125.17 0.3 . 1 . . . . . . . . 5786 1 18 . 1 1 26 26 SER H H 1 8.26 0.03 . 1 . . . . . . . . 5786 1 19 . 1 1 26 26 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 5786 1 20 . 1 1 26 26 SER HB3 H 1 3.90 0.03 . 1 . . . . . . . . 5786 1 21 . 1 1 26 26 SER CA C 13 58.44 0.3 . 1 . . . . . . . . 5786 1 22 . 1 1 26 26 SER CB C 13 63.68 0.3 . 1 . . . . . . . . 5786 1 23 . 1 1 26 26 SER N N 15 114.88 0.3 . 1 . . . . . . . . 5786 1 24 . 1 1 27 27 GLY H H 1 8.35 0.03 . 1 . . . . . . . . 5786 1 25 . 1 1 27 27 GLY HA3 H 1 3.98 0.03 . 1 . . . . . . . . 5786 1 26 . 1 1 27 27 GLY CA C 13 45.21 0.3 . 1 . . . . . . . . 5786 1 27 . 1 1 27 27 GLY N N 15 110.64 0.3 . 1 . . . . . . . . 5786 1 28 . 1 1 28 28 GLU H H 1 8.20 0.03 . 1 . . . . . . . . 5786 1 29 . 1 1 28 28 GLU HA H 1 4.29 0.03 . 1 . . . . . . . . 5786 1 30 . 1 1 28 28 GLU HB2 H 1 1.92 0.03 . 1 . . . . . . . . 5786 1 31 . 1 1 28 28 GLU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 5786 1 32 . 1 1 28 28 GLU HG3 H 1 2.22 0.03 . 1 . . . . . . . . 5786 1 33 . 1 1 28 28 GLU CA C 13 56.46 0.3 . 1 . . . . . . . . 5786 1 34 . 1 1 28 28 GLU CB C 13 29.95 0.3 . 1 . . . . . . . . 5786 1 35 . 1 1 28 28 GLU CG C 13 35.93 0.3 . 1 . . . . . . . . 5786 1 36 . 1 1 28 28 GLU N N 15 120.59 0.3 . 1 . . . . . . . . 5786 1 37 . 1 1 29 29 ILE H H 1 8.11 0.03 . 1 . . . . . . . . 5786 1 38 . 1 1 29 29 ILE HA H 1 4.13 0.03 . 1 . . . . . . . . 5786 1 39 . 1 1 29 29 ILE HB H 1 1.81 0.03 . 1 . . . . . . . . 5786 1 40 . 1 1 29 29 ILE HG12 H 1 1.10 0.03 . 1 . . . . . . . . 5786 1 41 . 1 1 29 29 ILE HG13 H 1 1.40 0.03 . 1 . . . . . . . . 5786 1 42 . 1 1 29 29 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 5786 1 43 . 1 1 29 29 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 5786 1 44 . 1 1 29 29 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 5786 1 45 . 1 1 29 29 ILE HD11 H 1 0.80 0.03 . 1 . . . . . . . . 5786 1 46 . 1 1 29 29 ILE HD12 H 1 0.80 0.03 . 1 . . . . . . . . 5786 1 47 . 1 1 29 29 ILE HD13 H 1 0.80 0.03 . 1 . . . . . . . . 5786 1 48 . 1 1 29 29 ILE CA C 13 61.27 0.3 . 1 . . . . . . . . 5786 1 49 . 1 1 29 29 ILE CB C 13 38.68 0.3 . 1 . . . . . . . . 5786 1 50 . 1 1 29 29 ILE CG1 C 13 27.15 0.3 . 1 . . . . . . . . 5786 1 51 . 1 1 29 29 ILE CG2 C 13 17.50 0.3 . 1 . . . . . . . . 5786 1 52 . 1 1 29 29 ILE CD1 C 13 12.81 0.3 . 1 . . . . . . . . 5786 1 53 . 1 1 29 29 ILE N N 15 121.96 0.3 . 1 . . . . . . . . 5786 1 54 . 1 1 30 30 ALA H H 1 8.27 0.03 . 1 . . . . . . . . 5786 1 55 . 1 1 30 30 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 5786 1 56 . 1 1 30 30 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 5786 1 57 . 1 1 30 30 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 5786 1 58 . 1 1 30 30 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 5786 1 59 . 1 1 30 30 ALA CA C 13 52.27 0.3 . 1 . . . . . . . . 5786 1 60 . 1 1 30 30 ALA CB C 13 19.08 0.3 . 1 . . . . . . . . 5786 1 61 . 1 1 30 30 ALA N N 15 127.80 0.3 . 1 . . . . . . . . 5786 1 62 . 1 1 31 31 LEU H H 1 8.10 0.03 . 1 . . . . . . . . 5786 1 63 . 1 1 31 31 LEU HA H 1 4.28 0.03 . 1 . . . . . . . . 5786 1 64 . 1 1 31 31 LEU HB3 H 1 1.56 0.03 . 1 . . . . . . . . 5786 1 65 . 1 1 31 31 LEU HG H 1 1.61 0.03 . 1 . . . . . . . . 5786 1 66 . 1 1 31 31 LEU HD11 H 1 0.92 0.03 . 1 . . . . . . . . 5786 1 67 . 1 1 31 31 LEU HD12 H 1 0.92 0.03 . 1 . . . . . . . . 5786 1 68 . 1 1 31 31 LEU HD13 H 1 0.92 0.03 . 1 . . . . . . . . 5786 1 69 . 1 1 31 31 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 5786 1 70 . 1 1 31 31 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 5786 1 71 . 1 1 31 31 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 5786 1 72 . 1 1 31 31 LEU CA C 13 54.84 0.3 . 1 . . . . . . . . 5786 1 73 . 1 1 31 31 LEU CB C 13 42.21 0.3 . 1 . . . . . . . . 5786 1 74 . 1 1 31 31 LEU CG C 13 26.44 0.3 . 1 . . . . . . . . 5786 1 75 . 1 1 31 31 LEU CD1 C 13 24.84 0.3 . 1 . . . . . . . . 5786 1 76 . 1 1 31 31 LEU CD2 C 13 23.28 0.3 . 1 . . . . . . . . 5786 1 77 . 1 1 31 31 LEU N N 15 121.31 0.3 . 1 . . . . . . . . 5786 1 78 . 1 1 32 32 CYS H H 1 8.12 0.03 . 1 . . . . . . . . 5786 1 79 . 1 1 32 32 CYS HA H 1 4.36 0.03 . 1 . . . . . . . . 5786 1 80 . 1 1 32 32 CYS HB3 H 1 2.93 0.03 . 1 . . . . . . . . 5786 1 81 . 1 1 32 32 CYS CA C 13 57.42 0.3 . 1 . . . . . . . . 5786 1 82 . 1 1 32 32 CYS CB C 13 39.59 0.3 . 1 . . . . . . . . 5786 1 83 . 1 1 32 32 CYS N N 15 122.70 0.3 . 1 . . . . . . . . 5786 1 84 . 1 1 33 33 LYS H H 1 8.67 0.03 . 1 . . . . . . . . 5786 1 85 . 1 1 33 33 LYS HA H 1 4.54 0.03 . 1 . . . . . . . . 5786 1 86 . 1 1 33 33 LYS HB2 H 1 1.61 0.03 . 1 . . . . . . . . 5786 1 87 . 1 1 33 33 LYS HB3 H 1 1.69 0.03 . 1 . . . . . . . . 5786 1 88 . 1 1 33 33 LYS HG2 H 1 1.26 0.03 . 1 . . . . . . . . 5786 1 89 . 1 1 33 33 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 5786 1 90 . 1 1 33 33 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 5786 1 91 . 1 1 33 33 LYS HE3 H 1 3.01 0.03 . 1 . . . . . . . . 5786 1 92 . 1 1 33 33 LYS CA C 13 54.91 0.3 . 1 . . . . . . . . 5786 1 93 . 1 1 33 33 LYS CB C 13 33.74 0.3 . 1 . . . . . . . . 5786 1 94 . 1 1 33 33 LYS CG C 13 24.56 0.3 . 1 . . . . . . . . 5786 1 95 . 1 1 33 33 LYS CD C 13 29.07 0.3 . 1 . . . . . . . . 5786 1 96 . 1 1 33 33 LYS CE C 13 41.86 0.3 . 1 . . . . . . . . 5786 1 97 . 1 1 33 33 LYS N N 15 108.87 0.3 . 1 . . . . . . . . 5786 1 98 . 1 1 34 34 THR H H 1 8.46 0.03 . 1 . . . . . . . . 5786 1 99 . 1 1 34 34 THR HA H 1 4.03 0.03 . 1 . . . . . . . . 5786 1 100 . 1 1 34 34 THR HB H 1 3.91 0.03 . 1 . . . . . . . . 5786 1 101 . 1 1 34 34 THR HG21 H 1 0.86 0.03 . 1 . . . . . . . . 5786 1 102 . 1 1 34 34 THR HG22 H 1 0.86 0.03 . 1 . . . . . . . . 5786 1 103 . 1 1 34 34 THR HG23 H 1 0.86 0.03 . 1 . . . . . . . . 5786 1 104 . 1 1 34 34 THR CA C 13 62.44 0.3 . 1 . . . . . . . . 5786 1 105 . 1 1 34 34 THR CB C 13 69.31 0.3 . 1 . . . . . . . . 5786 1 106 . 1 1 34 34 THR CG2 C 13 22.11 0.3 . 1 . . . . . . . . 5786 1 107 . 1 1 34 34 THR N N 15 125.47 0.3 . 1 . . . . . . . . 5786 1 108 . 1 1 35 35 GLY H H 1 7.10 0.03 . 1 . . . . . . . . 5786 1 109 . 1 1 35 35 GLY HA2 H 1 2.03 0.03 . 1 . . . . . . . . 5786 1 110 . 1 1 35 35 GLY HA3 H 1 3.92 0.03 . 1 . . . . . . . . 5786 1 111 . 1 1 35 35 GLY CA C 13 43.15 0.3 . 1 . . . . . . . . 5786 1 112 . 1 1 35 35 GLY N N 15 111.49 0.3 . 1 . . . . . . . . 5786 1 113 . 1 1 36 36 PHE H H 1 8.49 0.03 . 1 . . . . . . . . 5786 1 114 . 1 1 36 36 PHE HA H 1 4.92 0.03 . 1 . . . . . . . . 5786 1 115 . 1 1 36 36 PHE HB2 H 1 3.09 0.03 . 1 . . . . . . . . 5786 1 116 . 1 1 36 36 PHE HB3 H 1 3.29 0.03 . 1 . . . . . . . . 5786 1 117 . 1 1 36 36 PHE HD1 H 1 7.53 0.03 . 3 . . . . . . . . 5786 1 118 . 1 1 36 36 PHE HE1 H 1 7.28 0.03 . 3 . . . . . . . . 5786 1 119 . 1 1 36 36 PHE HZ H 1 7.18 0.03 . 1 . . . . . . . . 5786 1 120 . 1 1 36 36 PHE CA C 13 56.80 0.3 . 1 . . . . . . . . 5786 1 121 . 1 1 36 36 PHE CB C 13 38.91 0.3 . 1 . . . . . . . . 5786 1 122 . 1 1 36 36 PHE CD1 C 13 132.99 0.3 . 3 . . . . . . . . 5786 1 123 . 1 1 36 36 PHE CE1 C 13 131.11 0.3 . 3 . . . . . . . . 5786 1 124 . 1 1 36 36 PHE CZ C 13 129.41 0.3 . 1 . . . . . . . . 5786 1 125 . 1 1 36 36 PHE N N 15 120.41 0.3 . 1 . . . . . . . . 5786 1 126 . 1 1 37 37 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 5786 1 127 . 1 1 37 37 PRO HB2 H 1 2.12 0.03 . 1 . . . . . . . . 5786 1 128 . 1 1 37 37 PRO HB3 H 1 2.30 0.03 . 1 . . . . . . . . 5786 1 129 . 1 1 37 37 PRO CA C 13 64.49 0.3 . 1 . . . . . . . . 5786 1 130 . 1 1 37 37 PRO CB C 13 32.09 0.3 . 1 . . . . . . . . 5786 1 131 . 1 1 37 37 PRO CG C 13 27.37 0.3 . 1 . . . . . . . . 5786 1 132 . 1 1 37 37 PRO CD C 13 50.95 0.3 . 1 . . . . . . . . 5786 1 133 . 1 1 38 38 GLU H H 1 7.01 0.03 . 1 . . . . . . . . 5786 1 134 . 1 1 38 38 GLU HA H 1 4.60 0.03 . 1 . . . . . . . . 5786 1 135 . 1 1 38 38 GLU HB2 H 1 1.95 0.03 . 1 . . . . . . . . 5786 1 136 . 1 1 38 38 GLU HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5786 1 137 . 1 1 38 38 GLU CA C 13 53.68 0.3 . 1 . . . . . . . . 5786 1 138 . 1 1 38 38 GLU CB C 13 31.85 0.3 . 1 . . . . . . . . 5786 1 139 . 1 1 38 38 GLU CG C 13 35.26 0.3 . 1 . . . . . . . . 5786 1 140 . 1 1 38 38 GLU N N 15 114.29 0.3 . 1 . . . . . . . . 5786 1 141 . 1 1 39 39 ASP H H 1 8.50 0.03 . 1 . . . . . . . . 5786 1 142 . 1 1 39 39 ASP HA H 1 4.66 0.03 . 1 . . . . . . . . 5786 1 143 . 1 1 39 39 ASP HB2 H 1 2.62 0.03 . 1 . . . . . . . . 5786 1 144 . 1 1 39 39 ASP HB3 H 1 2.76 0.03 . 1 . . . . . . . . 5786 1 145 . 1 1 39 39 ASP CA C 13 55.85 0.3 . 1 . . . . . . . . 5786 1 146 . 1 1 39 39 ASP CB C 13 41.30 0.3 . 1 . . . . . . . . 5786 1 147 . 1 1 39 39 ASP N N 15 117.83 0.3 . 1 . . . . . . . . 5786 1 148 . 1 1 40 40 VAL H H 1 7.41 0.03 . 1 . . . . . . . . 5786 1 149 . 1 1 40 40 VAL HA H 1 4.72 0.03 . 1 . . . . . . . . 5786 1 150 . 1 1 40 40 VAL HB H 1 1.87 0.03 . 1 . . . . . . . . 5786 1 151 . 1 1 40 40 VAL HG11 H 1 0.76 0.03 . 1 . . . . . . . . 5786 1 152 . 1 1 40 40 VAL HG12 H 1 0.76 0.03 . 1 . . . . . . . . 5786 1 153 . 1 1 40 40 VAL HG13 H 1 0.76 0.03 . 1 . . . . . . . . 5786 1 154 . 1 1 40 40 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 155 . 1 1 40 40 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 156 . 1 1 40 40 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 157 . 1 1 40 40 VAL CA C 13 59.96 0.3 . 1 . . . . . . . . 5786 1 158 . 1 1 40 40 VAL CB C 13 34.97 0.3 . 1 . . . . . . . . 5786 1 159 . 1 1 40 40 VAL CG1 C 13 20.96 0.3 . 1 . . . . . . . . 5786 1 160 . 1 1 40 40 VAL CG2 C 13 20.09 0.3 . 1 . . . . . . . . 5786 1 161 . 1 1 40 40 VAL N N 15 118.49 0.3 . 1 . . . . . . . . 5786 1 162 . 1 1 41 41 TYR H H 1 8.86 0.03 . 1 . . . . . . . . 5786 1 163 . 1 1 41 41 TYR HA H 1 4.68 0.03 . 1 . . . . . . . . 5786 1 164 . 1 1 41 41 TYR HB2 H 1 2.51 0.03 . 1 . . . . . . . . 5786 1 165 . 1 1 41 41 TYR HB3 H 1 2.77 0.03 . 1 . . . . . . . . 5786 1 166 . 1 1 41 41 TYR HD1 H 1 6.91 0.03 . 3 . . . . . . . . 5786 1 167 . 1 1 41 41 TYR HE1 H 1 6.77 0.03 . 3 . . . . . . . . 5786 1 168 . 1 1 41 41 TYR CA C 13 56.80 0.3 . 1 . . . . . . . . 5786 1 169 . 1 1 41 41 TYR CB C 13 41.27 0.3 . 1 . . . . . . . . 5786 1 170 . 1 1 41 41 TYR CD1 C 13 132.99 0.3 . 3 . . . . . . . . 5786 1 171 . 1 1 41 41 TYR CE1 C 13 118.43 0.3 . 3 . . . . . . . . 5786 1 172 . 1 1 41 41 TYR N N 15 125.67 0.3 . 1 . . . . . . . . 5786 1 173 . 1 1 42 42 SER H H 1 8.49 0.03 . 1 . . . . . . . . 5786 1 174 . 1 1 42 42 SER HA H 1 5.50 0.03 . 1 . . . . . . . . 5786 1 175 . 1 1 42 42 SER HB2 H 1 3.68 0.03 . 1 . . . . . . . . 5786 1 176 . 1 1 42 42 SER HB3 H 1 3.75 0.03 . 1 . . . . . . . . 5786 1 177 . 1 1 42 42 SER CA C 13 56.33 0.3 . 1 . . . . . . . . 5786 1 178 . 1 1 42 42 SER CB C 13 65.03 0.3 . 1 . . . . . . . . 5786 1 179 . 1 1 42 42 SER N N 15 117.79 0.3 . 1 . . . . . . . . 5786 1 180 . 1 1 43 43 ALA H H 1 8.37 0.03 . 1 . . . . . . . . 5786 1 181 . 1 1 43 43 ALA HA H 1 4.70 0.03 . 1 . . . . . . . . 5786 1 182 . 1 1 43 43 ALA HB1 H 1 1.30 0.03 . 1 . . . . . . . . 5786 1 183 . 1 1 43 43 ALA HB2 H 1 1.30 0.03 . 1 . . . . . . . . 5786 1 184 . 1 1 43 43 ALA HB3 H 1 1.30 0.03 . 1 . . . . . . . . 5786 1 185 . 1 1 43 43 ALA CA C 13 51.15 0.3 . 1 . . . . . . . . 5786 1 186 . 1 1 43 43 ALA CB C 13 22.14 0.3 . 1 . . . . . . . . 5786 1 187 . 1 1 43 43 ALA N N 15 125.32 0.3 . 1 . . . . . . . . 5786 1 188 . 1 1 44 44 VAL H H 1 8.26 0.03 . 1 . . . . . . . . 5786 1 189 . 1 1 44 44 VAL HA H 1 4.66 0.03 . 1 . . . . . . . . 5786 1 190 . 1 1 44 44 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . 5786 1 191 . 1 1 44 44 VAL HG11 H 1 0.89 0.03 . 1 . . . . . . . . 5786 1 192 . 1 1 44 44 VAL HG12 H 1 0.89 0.03 . 1 . . . . . . . . 5786 1 193 . 1 1 44 44 VAL HG13 H 1 0.89 0.03 . 1 . . . . . . . . 5786 1 194 . 1 1 44 44 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 195 . 1 1 44 44 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 196 . 1 1 44 44 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 197 . 1 1 44 44 VAL CA C 13 61.03 0.3 . 1 . . . . . . . . 5786 1 198 . 1 1 44 44 VAL CB C 13 33.27 0.3 . 1 . . . . . . . . 5786 1 199 . 1 1 44 44 VAL CG1 C 13 21.14 0.3 . 1 . . . . . . . . 5786 1 200 . 1 1 44 44 VAL CG2 C 13 20.79 0.3 . 1 . . . . . . . . 5786 1 201 . 1 1 44 44 VAL N N 15 120.94 0.3 . 1 . . . . . . . . 5786 1 202 . 1 1 45 45 LEU H H 1 8.45 0.03 . 1 . . . . . . . . 5786 1 203 . 1 1 45 45 LEU HA H 1 4.76 0.03 . 1 . . . . . . . . 5786 1 204 . 1 1 45 45 LEU HB2 H 1 1.30 0.03 . 1 . . . . . . . . 5786 1 205 . 1 1 45 45 LEU HB3 H 1 1.58 0.03 . 1 . . . . . . . . 5786 1 206 . 1 1 45 45 LEU HD11 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 207 . 1 1 45 45 LEU HD12 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 208 . 1 1 45 45 LEU HD13 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 209 . 1 1 45 45 LEU HD21 H 1 0.79 0.03 . 1 . . . . . . . . 5786 1 210 . 1 1 45 45 LEU HD22 H 1 0.79 0.03 . 1 . . . . . . . . 5786 1 211 . 1 1 45 45 LEU HD23 H 1 0.79 0.03 . 1 . . . . . . . . 5786 1 212 . 1 1 45 45 LEU CA C 13 51.62 0.3 . 1 . . . . . . . . 5786 1 213 . 1 1 45 45 LEU CB C 13 43.38 0.3 . 1 . . . . . . . . 5786 1 214 . 1 1 45 45 LEU CD1 C 13 25.55 0.3 . 1 . . . . . . . . 5786 1 215 . 1 1 45 45 LEU CD2 C 13 25.03 0.3 . 1 . . . . . . . . 5786 1 216 . 1 1 45 45 LEU N N 15 128.64 0.3 . 1 . . . . . . . . 5786 1 217 . 1 1 46 46 PRO HA H 1 4.48 0.03 . 1 . . . . . . . . 5786 1 218 . 1 1 46 46 PRO HB2 H 1 2.30 0.03 . 1 . . . . . . . . 5786 1 219 . 1 1 46 46 PRO HB3 H 1 2.42 0.03 . 1 . . . . . . . . 5786 1 220 . 1 1 46 46 PRO HG2 H 1 1.94 0.03 . 1 . . . . . . . . 5786 1 221 . 1 1 46 46 PRO HG3 H 1 2.04 0.03 . 1 . . . . . . . . 5786 1 222 . 1 1 46 46 PRO CA C 13 62.44 0.3 . 1 . . . . . . . . 5786 1 223 . 1 1 46 46 PRO CB C 13 32.32 0.3 . 1 . . . . . . . . 5786 1 224 . 1 1 46 46 PRO CG C 13 27.30 0.3 . 1 . . . . . . . . 5786 1 225 . 1 1 46 46 PRO CD C 13 50.22 0.3 . 1 . . . . . . . . 5786 1 226 . 1 1 47 47 LYS H H 1 8.32 0.03 . 1 . . . . . . . . 5786 1 227 . 1 1 47 47 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 5786 1 228 . 1 1 47 47 LYS HB2 H 1 1.78 0.03 . 1 . . . . . . . . 5786 1 229 . 1 1 47 47 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 5786 1 230 . 1 1 47 47 LYS HG2 H 1 1.44 0.03 . 1 . . . . . . . . 5786 1 231 . 1 1 47 47 LYS HG3 H 1 1.50 0.03 . 1 . . . . . . . . 5786 1 232 . 1 1 47 47 LYS HD3 H 1 1.71 0.03 . 1 . . . . . . . . 5786 1 233 . 1 1 47 47 LYS CA C 13 58.91 0.3 . 1 . . . . . . . . 5786 1 234 . 1 1 47 47 LYS CB C 13 32.76 0.3 . 1 . . . . . . . . 5786 1 235 . 1 1 47 47 LYS CG C 13 24.32 0.3 . 1 . . . . . . . . 5786 1 236 . 1 1 47 47 LYS CD C 13 29.27 0.3 . 1 . . . . . . . . 5786 1 237 . 1 1 47 47 LYS CE C 13 41.86 0.3 . 1 . . . . . . . . 5786 1 238 . 1 1 47 47 LYS N N 15 118.84 0.3 . 1 . . . . . . . . 5786 1 239 . 1 1 48 48 ASP H H 1 7.95 0.03 . 1 . . . . . . . . 5786 1 240 . 1 1 48 48 ASP HA H 1 4.72 0.03 . 1 . . . . . . . . 5786 1 241 . 1 1 48 48 ASP HB3 H 1 2.58 0.03 . 1 . . . . . . . . 5786 1 242 . 1 1 48 48 ASP CA C 13 53.37 0.3 . 1 . . . . . . . . 5786 1 243 . 1 1 48 48 ASP CB C 13 40.80 0.3 . 1 . . . . . . . . 5786 1 244 . 1 1 48 48 ASP N N 15 116.61 0.3 . 1 . . . . . . . . 5786 1 245 . 1 1 49 49 VAL H H 1 7.88 0.03 . 1 . . . . . . . . 5786 1 246 . 1 1 49 49 VAL HA H 1 4.25 0.03 . 1 . . . . . . . . 5786 1 247 . 1 1 49 49 VAL HB H 1 1.79 0.03 . 1 . . . . . . . . 5786 1 248 . 1 1 49 49 VAL HG11 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 249 . 1 1 49 49 VAL HG12 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 250 . 1 1 49 49 VAL HG13 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 251 . 1 1 49 49 VAL HG21 H 1 0.78 0.03 . 1 . . . . . . . . 5786 1 252 . 1 1 49 49 VAL HG22 H 1 0.78 0.03 . 1 . . . . . . . . 5786 1 253 . 1 1 49 49 VAL HG23 H 1 0.78 0.03 . 1 . . . . . . . . 5786 1 254 . 1 1 49 49 VAL CA C 13 61.50 0.3 . 1 . . . . . . . . 5786 1 255 . 1 1 49 49 VAL CB C 13 32.56 0.3 . 1 . . . . . . . . 5786 1 256 . 1 1 49 49 VAL CG1 C 13 21.67 0.3 . 1 . . . . . . . . 5786 1 257 . 1 1 49 49 VAL CG2 C 13 19.95 0.3 . 1 . . . . . . . . 5786 1 258 . 1 1 49 49 VAL N N 15 122.34 0.3 . 1 . . . . . . . . 5786 1 259 . 1 1 50 50 HIS H H 1 8.14 0.03 . 1 . . . . . . . . 5786 1 260 . 1 1 50 50 HIS HA H 1 4.92 0.03 . 1 . . . . . . . . 5786 1 261 . 1 1 50 50 HIS HB2 H 1 3.17 0.03 . 1 . . . . . . . . 5786 1 262 . 1 1 50 50 HIS HB3 H 1 3.25 0.03 . 1 . . . . . . . . 5786 1 263 . 1 1 50 50 HIS CA C 13 53.43 0.3 . 1 . . . . . . . . 5786 1 264 . 1 1 50 50 HIS CB C 13 31.35 0.3 . 1 . . . . . . . . 5786 1 265 . 1 1 50 50 HIS N N 15 123.87 0.3 . 1 . . . . . . . . 5786 1 266 . 1 1 51 51 GLU H H 1 8.69 0.03 . 1 . . . . . . . . 5786 1 267 . 1 1 51 51 GLU HA H 1 3.42 0.03 . 1 . . . . . . . . 5786 1 268 . 1 1 51 51 GLU HB3 H 1 1.91 0.03 . 1 . . . . . . . . 5786 1 269 . 1 1 51 51 GLU HG2 H 1 2.12 0.03 . 1 . . . . . . . . 5786 1 270 . 1 1 51 51 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 5786 1 271 . 1 1 51 51 GLU CA C 13 57.99 0.3 . 1 . . . . . . . . 5786 1 272 . 1 1 51 51 GLU CB C 13 29.50 0.3 . 1 . . . . . . . . 5786 1 273 . 1 1 51 51 GLU CG C 13 35.15 0.3 . 1 . . . . . . . . 5786 1 274 . 1 1 51 51 GLU N N 15 121.47 0.3 . 1 . . . . . . . . 5786 1 275 . 1 1 52 52 GLY H H 1 8.82 0.03 . 1 . . . . . . . . 5786 1 276 . 1 1 52 52 GLY HA2 H 1 3.66 0.03 . 1 . . . . . . . . 5786 1 277 . 1 1 52 52 GLY HA3 H 1 4.29 0.03 . 1 . . . . . . . . 5786 1 278 . 1 1 52 52 GLY CA C 13 45.20 0.3 . 1 . . . . . . . . 5786 1 279 . 1 1 52 52 GLY N N 15 113.83 0.3 . 1 . . . . . . . . 5786 1 280 . 1 1 53 53 GLN H H 1 7.96 0.03 . 1 . . . . . . . . 5786 1 281 . 1 1 53 53 GLN HA H 1 4.60 0.03 . 1 . . . . . . . . 5786 1 282 . 1 1 53 53 GLN HB3 H 1 1.95 0.03 . 1 . . . . . . . . 5786 1 283 . 1 1 53 53 GLN HG3 H 1 2.31 0.03 . 1 . . . . . . . . 5786 1 284 . 1 1 53 53 GLN CA C 13 53.97 0.3 . 1 . . . . . . . . 5786 1 285 . 1 1 53 53 GLN CB C 13 30.25 0.3 . 1 . . . . . . . . 5786 1 286 . 1 1 53 53 GLN N N 15 122.69 0.3 . 1 . . . . . . . . 5786 1 287 . 1 1 54 54 PRO CA C 13 62.27 0.3 . 1 . . . . . . . . 5786 1 288 . 1 1 54 54 PRO CB C 13 30.91 0.3 . 1 . . . . . . . . 5786 1 289 . 1 1 54 54 PRO CG C 13 26.73 0.3 . 1 . . . . . . . . 5786 1 290 . 1 1 54 54 PRO CD C 13 50.76 0.3 . 1 . . . . . . . . 5786 1 291 . 1 1 55 55 LEU H H 1 9.36 0.03 . 1 . . . . . . . . 5786 1 292 . 1 1 55 55 LEU CA C 13 55.52 0.3 . 1 . . . . . . . . 5786 1 293 . 1 1 55 55 LEU CB C 13 43.64 0.3 . 1 . . . . . . . . 5786 1 294 . 1 1 55 55 LEU CG C 13 26.26 0.3 . 1 . . . . . . . . 5786 1 295 . 1 1 55 55 LEU CD1 C 13 22.89 0.3 . 1 . . . . . . . . 5786 1 296 . 1 1 55 55 LEU N N 15 122.93 0.3 . 1 . . . . . . . . 5786 1 297 . 1 1 56 56 LEU H H 1 7.28 0.03 . 1 . . . . . . . . 5786 1 298 . 1 1 56 56 LEU HA H 1 4.41 0.03 . 1 . . . . . . . . 5786 1 299 . 1 1 56 56 LEU HB2 H 1 1.49 0.03 . 1 . . . . . . . . 5786 1 300 . 1 1 56 56 LEU HB3 H 1 1.90 0.03 . 1 . . . . . . . . 5786 1 301 . 1 1 56 56 LEU HG H 1 1.16 0.03 . 1 . . . . . . . . 5786 1 302 . 1 1 56 56 LEU HD11 H 1 0.56 0.03 . 1 . . . . . . . . 5786 1 303 . 1 1 56 56 LEU HD12 H 1 0.56 0.03 . 1 . . . . . . . . 5786 1 304 . 1 1 56 56 LEU HD13 H 1 0.56 0.03 . 1 . . . . . . . . 5786 1 305 . 1 1 56 56 LEU HD21 H 1 0.39 0.03 . 1 . . . . . . . . 5786 1 306 . 1 1 56 56 LEU HD22 H 1 0.39 0.03 . 1 . . . . . . . . 5786 1 307 . 1 1 56 56 LEU HD23 H 1 0.39 0.03 . 1 . . . . . . . . 5786 1 308 . 1 1 56 56 LEU CA C 13 55.38 0.3 . 1 . . . . . . . . 5786 1 309 . 1 1 56 56 LEU CB C 13 41.74 0.3 . 1 . . . . . . . . 5786 1 310 . 1 1 56 56 LEU CG C 13 26.21 0.3 . 1 . . . . . . . . 5786 1 311 . 1 1 56 56 LEU CD1 C 13 26.96 0.3 . 1 . . . . . . . . 5786 1 312 . 1 1 56 56 LEU CD2 C 13 26.45 0.3 . 1 . . . . . . . . 5786 1 313 . 1 1 56 56 LEU N N 15 112.02 0.3 . 1 . . . . . . . . 5786 1 314 . 1 1 57 57 ASN H H 1 8.34 0.03 . 1 . . . . . . . . 5786 1 315 . 1 1 57 57 ASN HA H 1 5.33 0.03 . 1 . . . . . . . . 5786 1 316 . 1 1 57 57 ASN HB3 H 1 2.48 0.03 . 1 . . . . . . . . 5786 1 317 . 1 1 57 57 ASN CA C 13 52.56 0.3 . 1 . . . . . . . . 5786 1 318 . 1 1 57 57 ASN CB C 13 42.03 0.3 . 1 . . . . . . . . 5786 1 319 . 1 1 57 57 ASN N N 15 119.23 0.3 . 1 . . . . . . . . 5786 1 320 . 1 1 58 58 VAL H H 1 8.34 0.03 . 1 . . . . . . . . 5786 1 321 . 1 1 58 58 VAL HA H 1 3.94 0.03 . 1 . . . . . . . . 5786 1 322 . 1 1 58 58 VAL HB H 1 2.16 0.03 . 1 . . . . . . . . 5786 1 323 . 1 1 58 58 VAL HG11 H 1 0.29 0.03 . 1 . . . . . . . . 5786 1 324 . 1 1 58 58 VAL HG12 H 1 0.29 0.03 . 1 . . . . . . . . 5786 1 325 . 1 1 58 58 VAL HG13 H 1 0.29 0.03 . 1 . . . . . . . . 5786 1 326 . 1 1 58 58 VAL HG21 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 327 . 1 1 58 58 VAL HG22 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 328 . 1 1 58 58 VAL HG23 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 329 . 1 1 58 58 VAL CA C 13 61.03 0.3 . 1 . . . . . . . . 5786 1 330 . 1 1 58 58 VAL CB C 13 31.85 0.3 . 1 . . . . . . . . 5786 1 331 . 1 1 58 58 VAL CG1 C 13 21.73 0.3 . 1 . . . . . . . . 5786 1 332 . 1 1 58 58 VAL CG2 C 13 18.94 0.3 . 1 . . . . . . . . 5786 1 333 . 1 1 58 58 VAL N N 15 118.32 0.3 . 1 . . . . . . . . 5786 1 334 . 1 1 59 59 LYS H H 1 8.12 0.03 . 1 . . . . . . . . 5786 1 335 . 1 1 59 59 LYS HA H 1 4.20 0.03 . 1 . . . . . . . . 5786 1 336 . 1 1 59 59 LYS HB3 H 1 1.85 0.03 . 1 . . . . . . . . 5786 1 337 . 1 1 59 59 LYS HG3 H 1 1.40 0.03 . 1 . . . . . . . . 5786 1 338 . 1 1 59 59 LYS CA C 13 55.62 0.3 . 1 . . . . . . . . 5786 1 339 . 1 1 59 59 LYS CB C 13 31.90 0.3 . 1 . . . . . . . . 5786 1 340 . 1 1 59 59 LYS CG C 13 23.93 0.3 . 1 . . . . . . . . 5786 1 341 . 1 1 59 59 LYS CE C 13 41.87 0.3 . 1 . . . . . . . . 5786 1 342 . 1 1 59 59 LYS N N 15 120.77 0.3 . 1 . . . . . . . . 5786 1 343 . 1 1 60 60 PHE H H 1 8.32 0.03 . 1 . . . . . . . . 5786 1 344 . 1 1 60 60 PHE HA H 1 3.74 0.03 . 1 . . . . . . . . 5786 1 345 . 1 1 60 60 PHE HB2 H 1 2.67 0.03 . 1 . . . . . . . . 5786 1 346 . 1 1 60 60 PHE HB3 H 1 2.79 0.03 . 1 . . . . . . . . 5786 1 347 . 1 1 60 60 PHE HD1 H 1 5.90 0.03 . 3 . . . . . . . . 5786 1 348 . 1 1 60 60 PHE HE1 H 1 6.04 0.03 . 3 . . . . . . . . 5786 1 349 . 1 1 60 60 PHE CA C 13 58.85 0.3 . 1 . . . . . . . . 5786 1 350 . 1 1 60 60 PHE CB C 13 41.27 0.3 . 1 . . . . . . . . 5786 1 351 . 1 1 60 60 PHE CD1 C 13 130.56 0.3 . 3 . . . . . . . . 5786 1 352 . 1 1 60 60 PHE CE1 C 13 130.56 0.3 . 3 . . . . . . . . 5786 1 353 . 1 1 60 60 PHE N N 15 122.09 0.3 . 1 . . . . . . . . 5786 1 354 . 1 1 61 61 SER H H 1 7.85 0.03 . 1 . . . . . . . . 5786 1 355 . 1 1 61 61 SER HA H 1 4.39 0.03 . 1 . . . . . . . . 5786 1 356 . 1 1 61 61 SER HB2 H 1 3.58 0.03 . 1 . . . . . . . . 5786 1 357 . 1 1 61 61 SER HB3 H 1 3.81 0.03 . 1 . . . . . . . . 5786 1 358 . 1 1 61 61 SER CA C 13 56.33 0.3 . 1 . . . . . . . . 5786 1 359 . 1 1 61 61 SER CB C 13 62.78 0.3 . 1 . . . . . . . . 5786 1 360 . 1 1 61 61 SER N N 15 123.04 0.3 . 1 . . . . . . . . 5786 1 361 . 1 1 66 66 LYS CA C 13 56.61 0.3 . 1 . . . . . . . . 5786 1 362 . 1 1 66 66 LYS CB C 13 31.70 0.3 . 1 . . . . . . . . 5786 1 363 . 1 1 66 66 LYS CG C 13 24.36 0.3 . 1 . . . . . . . . 5786 1 364 . 1 1 66 66 LYS CD C 13 28.68 0.3 . 1 . . . . . . . . 5786 1 365 . 1 1 66 66 LYS CE C 13 41.89 0.3 . 1 . . . . . . . . 5786 1 366 . 1 1 67 67 ARG H H 1 7.78 0.03 . 1 . . . . . . . . 5786 1 367 . 1 1 67 67 ARG HA H 1 4.49 0.03 . 1 . . . . . . . . 5786 1 368 . 1 1 67 67 ARG HB2 H 1 1.79 0.03 . 1 . . . . . . . . 5786 1 369 . 1 1 67 67 ARG HB3 H 1 1.89 0.03 . 1 . . . . . . . . 5786 1 370 . 1 1 67 67 ARG HG3 H 1 1.64 0.03 . 1 . . . . . . . . 5786 1 371 . 1 1 67 67 ARG HD3 H 1 3.18 0.03 . 1 . . . . . . . . 5786 1 372 . 1 1 67 67 ARG CA C 13 55.16 0.3 . 1 . . . . . . . . 5786 1 373 . 1 1 67 67 ARG CB C 13 31.38 0.3 . 1 . . . . . . . . 5786 1 374 . 1 1 67 67 ARG CG C 13 27.38 0.3 . 1 . . . . . . . . 5786 1 375 . 1 1 67 67 ARG CD C 13 43.38 0.3 . 1 . . . . . . . . 5786 1 376 . 1 1 67 67 ARG N N 15 121.47 0.3 . 1 . . . . . . . . 5786 1 377 . 1 1 68 68 LYS H H 1 9.09 0.03 . 1 . . . . . . . . 5786 1 378 . 1 1 68 68 LYS HA H 1 4.48 0.03 . 1 . . . . . . . . 5786 1 379 . 1 1 68 68 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 5786 1 380 . 1 1 68 68 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 5786 1 381 . 1 1 68 68 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 5786 1 382 . 1 1 68 68 LYS CA C 13 55.38 0.3 . 1 . . . . . . . . 5786 1 383 . 1 1 68 68 LYS CB C 13 32.60 0.3 . 1 . . . . . . . . 5786 1 384 . 1 1 68 68 LYS CG C 13 24.32 0.3 . 1 . . . . . . . . 5786 1 385 . 1 1 68 68 LYS CD C 13 29.03 0.3 . 1 . . . . . . . . 5786 1 386 . 1 1 68 68 LYS CE C 13 42.00 0.3 . 1 . . . . . . . . 5786 1 387 . 1 1 68 68 LYS N N 15 126.02 0.3 . 1 . . . . . . . . 5786 1 388 . 1 1 69 69 VAL H H 1 7.90 0.03 . 1 . . . . . . . . 5786 1 389 . 1 1 69 69 VAL HA H 1 4.52 0.03 . 1 . . . . . . . . 5786 1 390 . 1 1 69 69 VAL HB H 1 1.32 0.03 . 1 . . . . . . . . 5786 1 391 . 1 1 69 69 VAL HG11 H 1 -0.02 0.03 . 1 . . . . . . . . 5786 1 392 . 1 1 69 69 VAL HG12 H 1 -0.02 0.03 . 1 . . . . . . . . 5786 1 393 . 1 1 69 69 VAL HG13 H 1 -0.02 0.03 . 1 . . . . . . . . 5786 1 394 . 1 1 69 69 VAL HG21 H 1 0.00 0.03 . 1 . . . . . . . . 5786 1 395 . 1 1 69 69 VAL HG22 H 1 0.00 0.03 . 1 . . . . . . . . 5786 1 396 . 1 1 69 69 VAL HG23 H 1 0.00 0.03 . 1 . . . . . . . . 5786 1 397 . 1 1 69 69 VAL CA C 13 60.34 0.3 . 1 . . . . . . . . 5786 1 398 . 1 1 69 69 VAL CB C 13 33.72 0.3 . 1 . . . . . . . . 5786 1 399 . 1 1 69 69 VAL CG1 C 13 21.26 0.3 . 1 . . . . . . . . 5786 1 400 . 1 1 69 69 VAL CG2 C 13 19.30 0.3 . 1 . . . . . . . . 5786 1 401 . 1 1 69 69 VAL N N 15 119.89 0.3 . 1 . . . . . . . . 5786 1 402 . 1 1 70 70 GLN H H 1 8.49 0.03 . 1 . . . . . . . . 5786 1 403 . 1 1 70 70 GLN HA H 1 4.60 0.03 . 1 . . . . . . . . 5786 1 404 . 1 1 70 70 GLN HB2 H 1 1.96 0.03 . 1 . . . . . . . . 5786 1 405 . 1 1 70 70 GLN HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5786 1 406 . 1 1 70 70 GLN HG3 H 1 2.34 0.03 . 1 . . . . . . . . 5786 1 407 . 1 1 70 70 GLN CA C 13 53.74 0.3 . 1 . . . . . . . . 5786 1 408 . 1 1 70 70 GLN CB C 13 31.38 0.3 . 1 . . . . . . . . 5786 1 409 . 1 1 70 70 GLN CG C 13 33.75 0.3 . 1 . . . . . . . . 5786 1 410 . 1 1 70 70 GLN N N 15 122.52 0.3 . 1 . . . . . . . . 5786 1 411 . 1 1 71 71 TYR H H 1 8.99 0.03 . 1 . . . . . . . . 5786 1 412 . 1 1 71 71 TYR HA H 1 5.88 0.03 . 1 . . . . . . . . 5786 1 413 . 1 1 71 71 TYR HB2 H 1 2.73 0.03 . 1 . . . . . . . . 5786 1 414 . 1 1 71 71 TYR HB3 H 1 2.89 0.03 . 1 . . . . . . . . 5786 1 415 . 1 1 71 71 TYR HD1 H 1 7.11 0.03 . 3 . . . . . . . . 5786 1 416 . 1 1 71 71 TYR HE1 H 1 6.53 0.03 . 3 . . . . . . . . 5786 1 417 . 1 1 71 71 TYR CA C 13 56.80 0.3 . 1 . . . . . . . . 5786 1 418 . 1 1 71 71 TYR CB C 13 42.68 0.3 . 1 . . . . . . . . 5786 1 419 . 1 1 71 71 TYR CD1 C 13 132.99 0.3 . 3 . . . . . . . . 5786 1 420 . 1 1 71 71 TYR CE1 C 13 117.78 0.3 . 3 . . . . . . . . 5786 1 421 . 1 1 71 71 TYR N N 15 123.57 0.3 . 1 . . . . . . . . 5786 1 422 . 1 1 72 72 GLU H H 1 9.19 0.03 . 1 . . . . . . . . 5786 1 423 . 1 1 72 72 GLU HA H 1 4.82 0.03 . 1 . . . . . . . . 5786 1 424 . 1 1 72 72 GLU HB2 H 1 2.12 0.03 . 1 . . . . . . . . 5786 1 425 . 1 1 72 72 GLU HB3 H 1 2.22 0.03 . 1 . . . . . . . . 5786 1 426 . 1 1 72 72 GLU HG3 H 1 2.40 0.03 . 1 . . . . . . . . 5786 1 427 . 1 1 72 72 GLU CA C 13 55.38 0.3 . 1 . . . . . . . . 5786 1 428 . 1 1 72 72 GLU CB C 13 34.44 0.3 . 1 . . . . . . . . 5786 1 429 . 1 1 72 72 GLU CG C 13 36.09 0.3 . 1 . . . . . . . . 5786 1 430 . 1 1 72 72 GLU N N 15 120.42 0.3 . 1 . . . . . . . . 5786 1 431 . 1 1 73 73 SER H H 1 9.12 0.03 . 1 . . . . . . . . 5786 1 432 . 1 1 73 73 SER HA H 1 5.47 0.03 . 1 . . . . . . . . 5786 1 433 . 1 1 73 73 SER HB2 H 1 3.83 0.03 . 1 . . . . . . . . 5786 1 434 . 1 1 73 73 SER HB3 H 1 3.90 0.03 . 1 . . . . . . . . 5786 1 435 . 1 1 73 73 SER CA C 13 55.37 0.3 . 1 . . . . . . . . 5786 1 436 . 1 1 73 73 SER CB C 13 66.52 0.3 . 1 . . . . . . . . 5786 1 437 . 1 1 73 73 SER N N 15 117.79 0.3 . 1 . . . . . . . . 5786 1 438 . 1 1 74 74 SER H H 1 9.40 0.03 . 1 . . . . . . . . 5786 1 439 . 1 1 74 74 SER HA H 1 4.68 0.03 . 1 . . . . . . . . 5786 1 440 . 1 1 74 74 SER HB3 H 1 3.97 0.03 . 1 . . . . . . . . 5786 1 441 . 1 1 74 74 SER CA C 13 60.09 0.3 . 1 . . . . . . . . 5786 1 442 . 1 1 74 74 SER CB C 13 62.72 0.3 . 1 . . . . . . . . 5786 1 443 . 1 1 74 74 SER N N 15 118.85 0.3 . 1 . . . . . . . . 5786 1 444 . 1 1 75 75 GLU H H 1 7.95 0.03 . 1 . . . . . . . . 5786 1 445 . 1 1 75 75 GLU HA H 1 5.16 0.03 . 1 . . . . . . . . 5786 1 446 . 1 1 75 75 GLU HB2 H 1 1.76 0.03 . 1 . . . . . . . . 5786 1 447 . 1 1 75 75 GLU HB3 H 1 2.26 0.03 . 1 . . . . . . . . 5786 1 448 . 1 1 75 75 GLU HG3 H 1 2.53 0.03 . 1 . . . . . . . . 5786 1 449 . 1 1 75 75 GLU CA C 13 53.13 0.3 . 1 . . . . . . . . 5786 1 450 . 1 1 75 75 GLU CB C 13 30.41 0.3 . 1 . . . . . . . . 5786 1 451 . 1 1 75 75 GLU CG C 13 34.67 0.3 . 1 . . . . . . . . 5786 1 452 . 1 1 75 75 GLU N N 15 120.42 0.3 . 1 . . . . . . . . 5786 1 453 . 1 1 76 76 PRO HA H 1 4.66 0.03 . 1 . . . . . . . . 5786 1 454 . 1 1 76 76 PRO HB2 H 1 2.09 0.03 . 1 . . . . . . . . 5786 1 455 . 1 1 76 76 PRO HB3 H 1 2.42 0.03 . 1 . . . . . . . . 5786 1 456 . 1 1 76 76 PRO CA C 13 64.32 0.3 . 1 . . . . . . . . 5786 1 457 . 1 1 76 76 PRO CB C 13 32.15 0.3 . 1 . . . . . . . . 5786 1 458 . 1 1 76 76 PRO CG C 13 26.32 0.3 . 1 . . . . . . . . 5786 1 459 . 1 1 76 76 PRO CD C 13 47.83 0.3 . 1 . . . . . . . . 5786 1 460 . 1 1 77 77 ALA H H 1 8.20 0.03 . 1 . . . . . . . . 5786 1 461 . 1 1 77 77 ALA HA H 1 4.15 0.03 . 1 . . . . . . . . 5786 1 462 . 1 1 77 77 ALA HB1 H 1 1.26 0.03 . 1 . . . . . . . . 5786 1 463 . 1 1 77 77 ALA HB2 H 1 1.26 0.03 . 1 . . . . . . . . 5786 1 464 . 1 1 77 77 ALA HB3 H 1 1.26 0.03 . 1 . . . . . . . . 5786 1 465 . 1 1 77 77 ALA CA C 13 53.03 0.3 . 1 . . . . . . . . 5786 1 466 . 1 1 77 77 ALA CB C 13 18.49 0.3 . 1 . . . . . . . . 5786 1 467 . 1 1 77 77 ALA N N 15 119.54 0.3 . 1 . . . . . . . . 5786 1 468 . 1 1 78 78 ASP H H 1 7.44 0.03 . 1 . . . . . . . . 5786 1 469 . 1 1 78 78 ASP HA H 1 4.44 0.03 . 1 . . . . . . . . 5786 1 470 . 1 1 78 78 ASP HB3 H 1 2.03 0.03 . 1 . . . . . . . . 5786 1 471 . 1 1 78 78 ASP CA C 13 55.53 0.3 . 1 . . . . . . . . 5786 1 472 . 1 1 78 78 ASP CB C 13 44.09 0.3 . 1 . . . . . . . . 5786 1 473 . 1 1 78 78 ASP N N 15 113.94 0.3 . 1 . . . . . . . . 5786 1 474 . 1 1 79 79 PHE H H 1 8.04 0.03 . 1 . . . . . . . . 5786 1 475 . 1 1 79 79 PHE HA H 1 5.33 0.03 . 1 . . . . . . . . 5786 1 476 . 1 1 79 79 PHE HB2 H 1 1.77 0.03 . 1 . . . . . . . . 5786 1 477 . 1 1 79 79 PHE HB3 H 1 2.38 0.03 . 1 . . . . . . . . 5786 1 478 . 1 1 79 79 PHE HD1 H 1 6.39 0.03 . 3 . . . . . . . . 5786 1 479 . 1 1 79 79 PHE HE1 H 1 6.84 0.03 . 3 . . . . . . . . 5786 1 480 . 1 1 79 79 PHE HZ H 1 6.67 0.03 . 1 . . . . . . . . 5786 1 481 . 1 1 79 79 PHE CA C 13 56.08 0.3 . 1 . . . . . . . . 5786 1 482 . 1 1 79 79 PHE CB C 13 42.46 0.3 . 1 . . . . . . . . 5786 1 483 . 1 1 79 79 PHE CD1 C 13 132.58 0.3 . 3 . . . . . . . . 5786 1 484 . 1 1 79 79 PHE CE1 C 13 130.16 0.3 . 3 . . . . . . . . 5786 1 485 . 1 1 79 79 PHE CZ C 13 128.94 0.3 . 1 . . . . . . . . 5786 1 486 . 1 1 79 79 PHE N N 15 117.26 0.3 . 1 . . . . . . . . 5786 1 487 . 1 1 80 80 LYS H H 1 8.76 0.03 . 1 . . . . . . . . 5786 1 488 . 1 1 80 80 LYS HA H 1 4.82 0.03 . 1 . . . . . . . . 5786 1 489 . 1 1 80 80 LYS HB2 H 1 1.57 0.03 . 1 . . . . . . . . 5786 1 490 . 1 1 80 80 LYS HB3 H 1 1.68 0.03 . 1 . . . . . . . . 5786 1 491 . 1 1 80 80 LYS HG2 H 1 1.32 0.03 . 1 . . . . . . . . 5786 1 492 . 1 1 80 80 LYS HG3 H 1 1.41 0.03 . 1 . . . . . . . . 5786 1 493 . 1 1 80 80 LYS HD3 H 1 1.65 0.03 . 1 . . . . . . . . 5786 1 494 . 1 1 80 80 LYS HE3 H 1 2.85 0.03 . 1 . . . . . . . . 5786 1 495 . 1 1 80 80 LYS CA C 13 53.97 0.3 . 1 . . . . . . . . 5786 1 496 . 1 1 80 80 LYS CB C 13 36.09 0.3 . 1 . . . . . . . . 5786 1 497 . 1 1 80 80 LYS CG C 13 25.47 0.3 . 1 . . . . . . . . 5786 1 498 . 1 1 80 80 LYS CD C 13 29.33 0.3 . 1 . . . . . . . . 5786 1 499 . 1 1 80 80 LYS CE C 13 41.83 0.3 . 1 . . . . . . . . 5786 1 500 . 1 1 80 80 LYS N N 15 123.39 0.3 . 1 . . . . . . . . 5786 1 501 . 1 1 81 81 VAL H H 1 8.49 0.03 . 1 . . . . . . . . 5786 1 502 . 1 1 81 81 VAL HA H 1 5.35 0.03 . 1 . . . . . . . . 5786 1 503 . 1 1 81 81 VAL HB H 1 1.83 0.03 . 1 . . . . . . . . 5786 1 504 . 1 1 81 81 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 505 . 1 1 81 81 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 506 . 1 1 81 81 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . 5786 1 507 . 1 1 81 81 VAL CA C 13 59.15 0.3 . 1 . . . . . . . . 5786 1 508 . 1 1 81 81 VAL CB C 13 34.44 0.3 . 1 . . . . . . . . 5786 1 509 . 1 1 81 81 VAL CG1 C 13 20.32 0.3 . 1 . . . . . . . . 5786 1 510 . 1 1 81 81 VAL N N 15 120.92 0.3 . 1 . . . . . . . . 5786 1 511 . 1 1 82 82 ASP H H 1 9.02 0.03 . 1 . . . . . . . . 5786 1 512 . 1 1 82 82 ASP HA H 1 5.00 0.03 . 1 . . . . . . . . 5786 1 513 . 1 1 82 82 ASP HB2 H 1 3.04 0.03 . 1 . . . . . . . . 5786 1 514 . 1 1 82 82 ASP HB3 H 1 3.33 0.03 . 1 . . . . . . . . 5786 1 515 . 1 1 82 82 ASP CA C 13 52.72 0.3 . 1 . . . . . . . . 5786 1 516 . 1 1 82 82 ASP CB C 13 42.68 0.3 . 1 . . . . . . . . 5786 1 517 . 1 1 82 82 ASP N N 15 128.82 0.3 . 1 . . . . . . . . 5786 1 518 . 1 1 83 83 GLU H H 1 8.69 0.03 . 1 . . . . . . . . 5786 1 519 . 1 1 83 83 GLU HA H 1 4.43 0.03 . 1 . . . . . . . . 5786 1 520 . 1 1 83 83 GLU HB3 H 1 2.23 0.03 . 1 . . . . . . . . 5786 1 521 . 1 1 83 83 GLU HG3 H 1 2.48 0.03 . 1 . . . . . . . . 5786 1 522 . 1 1 83 83 GLU CA C 13 58.68 0.3 . 1 . . . . . . . . 5786 1 523 . 1 1 83 83 GLU CB C 13 29.60 0.3 . 1 . . . . . . . . 5786 1 524 . 1 1 83 83 GLU CG C 13 36.56 0.3 . 1 . . . . . . . . 5786 1 525 . 1 1 83 83 GLU N N 15 115.69 0.3 . 1 . . . . . . . . 5786 1 526 . 1 1 84 84 ASP H H 1 8.19 0.03 . 1 . . . . . . . . 5786 1 527 . 1 1 84 84 ASP HA H 1 4.90 0.03 . 1 . . . . . . . . 5786 1 528 . 1 1 84 84 ASP HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5786 1 529 . 1 1 84 84 ASP CA C 13 53.66 0.3 . 1 . . . . . . . . 5786 1 530 . 1 1 84 84 ASP CB C 13 41.40 0.3 . 1 . . . . . . . . 5786 1 531 . 1 1 84 84 ASP N N 15 117.42 0.3 . 1 . . . . . . . . 5786 1 532 . 1 1 85 85 GLY H H 1 8.14 0.03 . 1 . . . . . . . . 5786 1 533 . 1 1 85 85 GLY HA2 H 1 2.56 0.03 . 1 . . . . . . . . 5786 1 534 . 1 1 85 85 GLY HA3 H 1 4.06 0.03 . 1 . . . . . . . . 5786 1 535 . 1 1 85 85 GLY CA C 13 44.77 0.3 . 1 . . . . . . . . 5786 1 536 . 1 1 85 85 GLY N N 15 109.82 0.3 . 1 . . . . . . . . 5786 1 537 . 1 1 86 86 THR H H 1 8.30 0.03 . 1 . . . . . . . . 5786 1 538 . 1 1 86 86 THR HA H 1 4.42 0.03 . 1 . . . . . . . . 5786 1 539 . 1 1 86 86 THR HB H 1 4.25 0.03 . 1 . . . . . . . . 5786 1 540 . 1 1 86 86 THR HG21 H 1 0.77 0.03 . 1 . . . . . . . . 5786 1 541 . 1 1 86 86 THR HG22 H 1 0.77 0.03 . 1 . . . . . . . . 5786 1 542 . 1 1 86 86 THR HG23 H 1 0.77 0.03 . 1 . . . . . . . . 5786 1 543 . 1 1 86 86 THR CA C 13 63.62 0.3 . 1 . . . . . . . . 5786 1 544 . 1 1 86 86 THR CB C 13 67.77 0.3 . 1 . . . . . . . . 5786 1 545 . 1 1 86 86 THR CG2 C 13 22.20 0.3 . 1 . . . . . . . . 5786 1 546 . 1 1 86 86 THR N N 15 120.07 0.3 . 1 . . . . . . . . 5786 1 547 . 1 1 87 87 VAL H H 1 8.79 0.03 . 1 . . . . . . . . 5786 1 548 . 1 1 87 87 VAL HA H 1 4.84 0.03 . 1 . . . . . . . . 5786 1 549 . 1 1 87 87 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . 5786 1 550 . 1 1 87 87 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 5786 1 551 . 1 1 87 87 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 5786 1 552 . 1 1 87 87 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 5786 1 553 . 1 1 87 87 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 554 . 1 1 87 87 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 555 . 1 1 87 87 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 556 . 1 1 87 87 VAL CA C 13 60.80 0.3 . 1 . . . . . . . . 5786 1 557 . 1 1 87 87 VAL CB C 13 32.79 0.3 . 1 . . . . . . . . 5786 1 558 . 1 1 87 87 VAL CG1 C 13 21.73 0.3 . 1 . . . . . . . . 5786 1 559 . 1 1 87 87 VAL N N 15 128.12 0.3 . 1 . . . . . . . . 5786 1 560 . 1 1 88 88 TYR H H 1 9.42 0.03 . 1 . . . . . . . . 5786 1 561 . 1 1 88 88 TYR HA H 1 5.41 0.03 . 1 . . . . . . . . 5786 1 562 . 1 1 88 88 TYR HB2 H 1 2.50 0.03 . 1 . . . . . . . . 5786 1 563 . 1 1 88 88 TYR HB3 H 1 2.62 0.03 . 1 . . . . . . . . 5786 1 564 . 1 1 88 88 TYR HD1 H 1 6.89 0.03 . 3 . . . . . . . . 5786 1 565 . 1 1 88 88 TYR HE1 H 1 6.69 0.03 . 3 . . . . . . . . 5786 1 566 . 1 1 88 88 TYR CA C 13 55.58 0.3 . 1 . . . . . . . . 5786 1 567 . 1 1 88 88 TYR CB C 13 42.21 0.3 . 1 . . . . . . . . 5786 1 568 . 1 1 88 88 TYR CD1 C 13 133.80 0.3 . 3 . . . . . . . . 5786 1 569 . 1 1 88 88 TYR CE1 C 13 117.68 0.3 . 3 . . . . . . . . 5786 1 570 . 1 1 88 88 TYR N N 15 124.97 0.3 . 1 . . . . . . . . 5786 1 571 . 1 1 89 89 ALA H H 1 8.47 0.03 . 1 . . . . . . . . 5786 1 572 . 1 1 89 89 ALA HA H 1 4.79 0.03 . 1 . . . . . . . . 5786 1 573 . 1 1 89 89 ALA HB1 H 1 1.53 0.03 . 1 . . . . . . . . 5786 1 574 . 1 1 89 89 ALA HB2 H 1 1.53 0.03 . 1 . . . . . . . . 5786 1 575 . 1 1 89 89 ALA HB3 H 1 1.53 0.03 . 1 . . . . . . . . 5786 1 576 . 1 1 89 89 ALA CA C 13 51.62 0.3 . 1 . . . . . . . . 5786 1 577 . 1 1 89 89 ALA CB C 13 19.59 0.3 . 1 . . . . . . . . 5786 1 578 . 1 1 89 89 ALA N N 15 123.22 0.3 . 1 . . . . . . . . 5786 1 579 . 1 1 90 90 VAL H H 1 8.36 0.03 . 1 . . . . . . . . 5786 1 580 . 1 1 90 90 VAL HA H 1 3.93 0.03 . 1 . . . . . . . . 5786 1 581 . 1 1 90 90 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 5786 1 582 . 1 1 90 90 VAL HG11 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 583 . 1 1 90 90 VAL HG12 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 584 . 1 1 90 90 VAL HG13 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 585 . 1 1 90 90 VAL HG21 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 586 . 1 1 90 90 VAL HG22 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 587 . 1 1 90 90 VAL HG23 H 1 0.83 0.03 . 1 . . . . . . . . 5786 1 588 . 1 1 90 90 VAL CA C 13 63.38 0.3 . 1 . . . . . . . . 5786 1 589 . 1 1 90 90 VAL CB C 13 32.46 0.3 . 1 . . . . . . . . 5786 1 590 . 1 1 90 90 VAL CG1 C 13 22.16 0.3 . 1 . . . . . . . . 5786 1 591 . 1 1 90 90 VAL N N 15 122.68 0.3 . 1 . . . . . . . . 5786 1 592 . 1 1 91 91 ARG H H 1 7.45 0.03 . 1 . . . . . . . . 5786 1 593 . 1 1 91 91 ARG HA H 1 4.62 0.03 . 1 . . . . . . . . 5786 1 594 . 1 1 91 91 ARG HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5786 1 595 . 1 1 91 91 ARG HB3 H 1 1.84 0.03 . 1 . . . . . . . . 5786 1 596 . 1 1 91 91 ARG HG2 H 1 1.34 0.03 . 1 . . . . . . . . 5786 1 597 . 1 1 91 91 ARG HG3 H 1 1.51 0.03 . 1 . . . . . . . . 5786 1 598 . 1 1 91 91 ARG HD3 H 1 3.09 0.03 . 1 . . . . . . . . 5786 1 599 . 1 1 91 91 ARG CA C 13 53.27 0.3 . 1 . . . . . . . . 5786 1 600 . 1 1 91 91 ARG CB C 13 32.79 0.3 . 1 . . . . . . . . 5786 1 601 . 1 1 91 91 ARG CG C 13 25.73 0.3 . 1 . . . . . . . . 5786 1 602 . 1 1 91 91 ARG CD C 13 43.38 0.3 . 1 . . . . . . . . 5786 1 603 . 1 1 91 91 ARG N N 15 114.29 0.3 . 1 . . . . . . . . 5786 1 604 . 1 1 92 92 SER H H 1 8.36 0.03 . 1 . . . . . . . . 5786 1 605 . 1 1 92 92 SER HA H 1 4.52 0.03 . 1 . . . . . . . . 5786 1 606 . 1 1 92 92 SER HB3 H 1 3.93 0.03 . 1 . . . . . . . . 5786 1 607 . 1 1 92 92 SER CA C 13 57.74 0.3 . 1 . . . . . . . . 5786 1 608 . 1 1 92 92 SER CB C 13 63.40 0.3 . 1 . . . . . . . . 5786 1 609 . 1 1 92 92 SER N N 15 113.40 0.3 . 1 . . . . . . . . 5786 1 610 . 1 1 93 93 PHE H H 1 7.86 0.03 . 1 . . . . . . . . 5786 1 611 . 1 1 93 93 PHE HA H 1 4.88 0.03 . 1 . . . . . . . . 5786 1 612 . 1 1 93 93 PHE HB2 H 1 2.92 0.03 . 1 . . . . . . . . 5786 1 613 . 1 1 93 93 PHE HB3 H 1 3.05 0.03 . 1 . . . . . . . . 5786 1 614 . 1 1 93 93 PHE HD1 H 1 7.06 0.03 . 3 . . . . . . . . 5786 1 615 . 1 1 93 93 PHE HE1 H 1 6.93 0.03 . 3 . . . . . . . . 5786 1 616 . 1 1 93 93 PHE CA C 13 55.85 0.3 . 1 . . . . . . . . 5786 1 617 . 1 1 93 93 PHE CB C 13 38.91 0.3 . 1 . . . . . . . . 5786 1 618 . 1 1 93 93 PHE CD1 C 13 131.88 0.3 . 3 . . . . . . . . 5786 1 619 . 1 1 93 93 PHE N N 15 122.50 0.3 . 1 . . . . . . . . 5786 1 620 . 1 1 94 94 PRO CA C 13 62.25 0.3 . 1 . . . . . . . . 5786 1 621 . 1 1 94 94 PRO CB C 13 31.41 0.3 . 1 . . . . . . . . 5786 1 622 . 1 1 94 94 PRO CG C 13 26.80 0.3 . 1 . . . . . . . . 5786 1 623 . 1 1 94 94 PRO CD C 13 50.35 0.3 . 1 . . . . . . . . 5786 1 624 . 1 1 95 95 LEU H H 1 8.67 0.03 . 1 . . . . . . . . 5786 1 625 . 1 1 95 95 LEU HA H 1 4.42 0.03 . 1 . . . . . . . . 5786 1 626 . 1 1 95 95 LEU HB3 H 1 1.69 0.03 . 1 . . . . . . . . 5786 1 627 . 1 1 95 95 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 5786 1 628 . 1 1 95 95 LEU HD11 H 1 0.94 0.03 . 1 . . . . . . . . 5786 1 629 . 1 1 95 95 LEU HD12 H 1 0.94 0.03 . 1 . . . . . . . . 5786 1 630 . 1 1 95 95 LEU HD13 H 1 0.94 0.03 . 1 . . . . . . . . 5786 1 631 . 1 1 95 95 LEU CA C 13 55.85 0.3 . 1 . . . . . . . . 5786 1 632 . 1 1 95 95 LEU CB C 13 42.22 0.3 . 1 . . . . . . . . 5786 1 633 . 1 1 95 95 LEU CG C 13 27.22 0.3 . 1 . . . . . . . . 5786 1 634 . 1 1 95 95 LEU CD1 C 13 24.32 0.3 . 1 . . . . . . . . 5786 1 635 . 1 1 95 95 LEU CD2 C 13 23.52 0.3 . 1 . . . . . . . . 5786 1 636 . 1 1 95 95 LEU N N 15 122.69 0.3 . 1 . . . . . . . . 5786 1 637 . 1 1 96 96 THR H H 1 7.82 0.03 . 1 . . . . . . . . 5786 1 638 . 1 1 96 96 THR HA H 1 4.33 0.03 . 1 . . . . . . . . 5786 1 639 . 1 1 96 96 THR HB H 1 4.48 0.03 . 1 . . . . . . . . 5786 1 640 . 1 1 96 96 THR HG21 H 1 1.24 0.03 . 1 . . . . . . . . 5786 1 641 . 1 1 96 96 THR HG22 H 1 1.24 0.03 . 1 . . . . . . . . 5786 1 642 . 1 1 96 96 THR HG23 H 1 1.24 0.03 . 1 . . . . . . . . 5786 1 643 . 1 1 96 96 THR CA C 13 61.27 0.3 . 1 . . . . . . . . 5786 1 644 . 1 1 96 96 THR CB C 13 69.70 0.3 . 1 . . . . . . . . 5786 1 645 . 1 1 96 96 THR CG2 C 13 21.66 0.3 . 1 . . . . . . . . 5786 1 646 . 1 1 96 96 THR N N 15 110.44 0.3 . 1 . . . . . . . . 5786 1 647 . 1 1 97 97 ALA H H 1 7.89 0.03 . 1 . . . . . . . . 5786 1 648 . 1 1 97 97 ALA HA H 1 4.40 0.03 . 1 . . . . . . . . 5786 1 649 . 1 1 97 97 ALA HB1 H 1 1.45 0.03 . 1 . . . . . . . . 5786 1 650 . 1 1 97 97 ALA HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5786 1 651 . 1 1 97 97 ALA HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5786 1 652 . 1 1 97 97 ALA CA C 13 52.51 0.3 . 1 . . . . . . . . 5786 1 653 . 1 1 97 97 ALA CB C 13 18.91 0.3 . 1 . . . . . . . . 5786 1 654 . 1 1 97 97 ALA N N 15 124.09 0.3 . 1 . . . . . . . . 5786 1 655 . 1 1 98 98 GLU H H 1 8.43 0.03 . 1 . . . . . . . . 5786 1 656 . 1 1 98 98 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 5786 1 657 . 1 1 98 98 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 5786 1 658 . 1 1 98 98 GLU HB3 H 1 2.15 0.03 . 1 . . . . . . . . 5786 1 659 . 1 1 98 98 GLU HG3 H 1 2.30 0.03 . 1 . . . . . . . . 5786 1 660 . 1 1 98 98 GLU CA C 13 57.27 0.3 . 1 . . . . . . . . 5786 1 661 . 1 1 98 98 GLU CB C 13 30.50 0.3 . 1 . . . . . . . . 5786 1 662 . 1 1 98 98 GLU CG C 13 36.37 0.3 . 1 . . . . . . . . 5786 1 663 . 1 1 98 98 GLU N N 15 119.05 0.3 . 1 . . . . . . . . 5786 1 664 . 1 1 99 99 GLN H H 1 7.83 0.03 . 1 . . . . . . . . 5786 1 665 . 1 1 99 99 GLN HA H 1 4.90 0.03 . 1 . . . . . . . . 5786 1 666 . 1 1 99 99 GLN HB2 H 1 2.04 0.03 . 1 . . . . . . . . 5786 1 667 . 1 1 99 99 GLN HB3 H 1 2.11 0.03 . 1 . . . . . . . . 5786 1 668 . 1 1 99 99 GLN HG3 H 1 2.28 0.03 . 1 . . . . . . . . 5786 1 669 . 1 1 99 99 GLN CA C 13 54.91 0.3 . 1 . . . . . . . . 5786 1 670 . 1 1 99 99 GLN CB C 13 31.15 0.3 . 1 . . . . . . . . 5786 1 671 . 1 1 99 99 GLN CG C 13 33.65 0.3 . 1 . . . . . . . . 5786 1 672 . 1 1 99 99 GLN N N 15 116.05 0.3 . 1 . . . . . . . . 5786 1 673 . 1 1 100 100 ALA H H 1 8.76 0.03 . 1 . . . . . . . . 5786 1 674 . 1 1 100 100 ALA HA H 1 4.74 0.03 . 1 . . . . . . . . 5786 1 675 . 1 1 100 100 ALA HB1 H 1 1.49 0.03 . 1 . . . . . . . . 5786 1 676 . 1 1 100 100 ALA HB2 H 1 1.49 0.03 . 1 . . . . . . . . 5786 1 677 . 1 1 100 100 ALA HB3 H 1 1.49 0.03 . 1 . . . . . . . . 5786 1 678 . 1 1 100 100 ALA CA C 13 52.09 0.3 . 1 . . . . . . . . 5786 1 679 . 1 1 100 100 ALA CB C 13 21.50 0.3 . 1 . . . . . . . . 5786 1 680 . 1 1 100 100 ALA N N 15 124.62 0.3 . 1 . . . . . . . . 5786 1 681 . 1 1 101 101 LYS H H 1 8.38 0.03 . 1 . . . . . . . . 5786 1 682 . 1 1 101 101 LYS HA H 1 5.47 0.03 . 1 . . . . . . . . 5786 1 683 . 1 1 101 101 LYS HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5786 1 684 . 1 1 101 101 LYS HB3 H 1 1.83 0.03 . 1 . . . . . . . . 5786 1 685 . 1 1 101 101 LYS HG3 H 1 1.38 0.03 . 1 . . . . . . . . 5786 1 686 . 1 1 101 101 LYS HD3 H 1 1.62 0.03 . 1 . . . . . . . . 5786 1 687 . 1 1 101 101 LYS HE3 H 1 2.88 0.03 . 1 . . . . . . . . 5786 1 688 . 1 1 101 101 LYS CA C 13 55.12 0.3 . 1 . . . . . . . . 5786 1 689 . 1 1 101 101 LYS CB C 13 35.38 0.3 . 1 . . . . . . . . 5786 1 690 . 1 1 101 101 LYS CG C 13 24.76 0.3 . 1 . . . . . . . . 5786 1 691 . 1 1 101 101 LYS CD C 13 29.50 0.3 . 1 . . . . . . . . 5786 1 692 . 1 1 101 101 LYS CE C 13 41.83 0.3 . 1 . . . . . . . . 5786 1 693 . 1 1 101 101 LYS N N 15 120.77 0.3 . 1 . . . . . . . . 5786 1 694 . 1 1 102 102 PHE H H 1 8.42 0.03 . 1 . . . . . . . . 5786 1 695 . 1 1 102 102 PHE HA H 1 4.84 0.03 . 1 . . . . . . . . 5786 1 696 . 1 1 102 102 PHE HB2 H 1 3.11 0.03 . 1 . . . . . . . . 5786 1 697 . 1 1 102 102 PHE HB3 H 1 3.38 0.03 . 1 . . . . . . . . 5786 1 698 . 1 1 102 102 PHE HD1 H 1 6.70 0.03 . 3 . . . . . . . . 5786 1 699 . 1 1 102 102 PHE HE1 H 1 6.27 0.03 . 3 . . . . . . . . 5786 1 700 . 1 1 102 102 PHE HZ H 1 6.19 0.03 . 1 . . . . . . . . 5786 1 701 . 1 1 102 102 PHE CA C 13 55.85 0.3 . 1 . . . . . . . . 5786 1 702 . 1 1 102 102 PHE CB C 13 38.91 0.3 . 1 . . . . . . . . 5786 1 703 . 1 1 102 102 PHE CD1 C 13 132.58 0.3 . 3 . . . . . . . . 5786 1 704 . 1 1 102 102 PHE CE1 C 13 129.35 0.3 . 3 . . . . . . . . 5786 1 705 . 1 1 102 102 PHE CZ C 13 127.70 0.3 . 1 . . . . . . . . 5786 1 706 . 1 1 102 102 PHE N N 15 119.54 0.3 . 1 . . . . . . . . 5786 1 707 . 1 1 103 103 LEU H H 1 9.04 0.03 . 1 . . . . . . . . 5786 1 708 . 1 1 103 103 LEU HA H 1 5.08 0.03 . 1 . . . . . . . . 5786 1 709 . 1 1 103 103 LEU HB3 H 1 1.32 0.03 . 1 . . . . . . . . 5786 1 710 . 1 1 103 103 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 5786 1 711 . 1 1 103 103 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 5786 1 712 . 1 1 103 103 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 5786 1 713 . 1 1 103 103 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 5786 1 714 . 1 1 103 103 LEU HD21 H 1 0.75 0.03 . 1 . . . . . . . . 5786 1 715 . 1 1 103 103 LEU HD22 H 1 0.75 0.03 . 1 . . . . . . . . 5786 1 716 . 1 1 103 103 LEU HD23 H 1 0.75 0.03 . 1 . . . . . . . . 5786 1 717 . 1 1 103 103 LEU CA C 13 53.50 0.3 . 1 . . . . . . . . 5786 1 718 . 1 1 103 103 LEU CB C 13 45.27 0.3 . 1 . . . . . . . . 5786 1 719 . 1 1 103 103 LEU CG C 13 27.62 0.3 . 1 . . . . . . . . 5786 1 720 . 1 1 103 103 LEU CD1 C 13 25.27 0.3 . 1 . . . . . . . . 5786 1 721 . 1 1 103 103 LEU CD2 C 13 24.16 0.3 . 1 . . . . . . . . 5786 1 722 . 1 1 103 103 LEU N N 15 120.24 0.3 . 1 . . . . . . . . 5786 1 723 . 1 1 104 104 ILE H H 1 8.49 0.03 . 1 . . . . . . . . 5786 1 724 . 1 1 104 104 ILE HA H 1 4.72 0.03 . 1 . . . . . . . . 5786 1 725 . 1 1 104 104 ILE HB H 1 1.52 0.03 . 1 . . . . . . . . 5786 1 726 . 1 1 104 104 ILE HG12 H 1 0.96 0.03 . 1 . . . . . . . . 5786 1 727 . 1 1 104 104 ILE HG13 H 1 1.16 0.03 . 1 . . . . . . . . 5786 1 728 . 1 1 104 104 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 5786 1 729 . 1 1 104 104 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 5786 1 730 . 1 1 104 104 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 5786 1 731 . 1 1 104 104 ILE HD11 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 732 . 1 1 104 104 ILE HD12 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 733 . 1 1 104 104 ILE HD13 H 1 0.69 0.03 . 1 . . . . . . . . 5786 1 734 . 1 1 104 104 ILE CA C 13 58.44 0.3 . 1 . . . . . . . . 5786 1 735 . 1 1 104 104 ILE CB C 13 38.46 0.3 . 1 . . . . . . . . 5786 1 736 . 1 1 104 104 ILE CG1 C 13 26.91 0.3 . 1 . . . . . . . . 5786 1 737 . 1 1 104 104 ILE CG2 C 13 17.75 0.3 . 1 . . . . . . . . 5786 1 738 . 1 1 104 104 ILE CD1 C 13 12.50 0.3 . 1 . . . . . . . . 5786 1 739 . 1 1 104 104 ILE N N 15 119.02 0.3 . 1 . . . . . . . . 5786 1 740 . 1 1 105 105 TYR H H 1 9.36 0.03 . 1 . . . . . . . . 5786 1 741 . 1 1 105 105 TYR HA H 1 5.76 0.03 . 1 . . . . . . . . 5786 1 742 . 1 1 105 105 TYR HB2 H 1 2.89 0.03 . 1 . . . . . . . . 5786 1 743 . 1 1 105 105 TYR HB3 H 1 3.20 0.03 . 1 . . . . . . . . 5786 1 744 . 1 1 105 105 TYR HD1 H 1 7.05 0.03 . 3 . . . . . . . . 5786 1 745 . 1 1 105 105 TYR HE1 H 1 6.70 0.03 . 3 . . . . . . . . 5786 1 746 . 1 1 105 105 TYR CA C 13 55.38 0.3 . 1 . . . . . . . . 5786 1 747 . 1 1 105 105 TYR CB C 13 41.03 0.3 . 1 . . . . . . . . 5786 1 748 . 1 1 105 105 TYR CD1 C 13 132.99 0.3 . 3 . . . . . . . . 5786 1 749 . 1 1 105 105 TYR CE1 C 13 117.62 0.3 . 3 . . . . . . . . 5786 1 750 . 1 1 105 105 TYR N N 15 123.49 0.3 . 1 . . . . . . . . 5786 1 751 . 1 1 106 106 ALA H H 1 9.37 0.03 . 1 . . . . . . . . 5786 1 752 . 1 1 106 106 ALA HA H 1 5.38 0.03 . 1 . . . . . . . . 5786 1 753 . 1 1 106 106 ALA HB1 H 1 1.02 0.03 . 1 . . . . . . . . 5786 1 754 . 1 1 106 106 ALA HB2 H 1 1.02 0.03 . 1 . . . . . . . . 5786 1 755 . 1 1 106 106 ALA HB3 H 1 1.02 0.03 . 1 . . . . . . . . 5786 1 756 . 1 1 106 106 ALA CA C 13 50.06 0.3 . 1 . . . . . . . . 5786 1 757 . 1 1 106 106 ALA CB C 13 23.56 0.3 . 1 . . . . . . . . 5786 1 758 . 1 1 106 106 ALA N N 15 123.32 0.3 . 1 . . . . . . . . 5786 1 759 . 1 1 107 107 GLN H H 1 8.77 0.03 . 1 . . . . . . . . 5786 1 760 . 1 1 107 107 GLN HA H 1 5.55 0.03 . 1 . . . . . . . . 5786 1 761 . 1 1 107 107 GLN HB2 H 1 1.86 0.03 . 1 . . . . . . . . 5786 1 762 . 1 1 107 107 GLN HB3 H 1 2.00 0.03 . 1 . . . . . . . . 5786 1 763 . 1 1 107 107 GLN HG3 H 1 2.11 0.03 . 1 . . . . . . . . 5786 1 764 . 1 1 107 107 GLN CA C 13 53.74 0.3 . 1 . . . . . . . . 5786 1 765 . 1 1 107 107 GLN CB C 13 32.56 0.3 . 1 . . . . . . . . 5786 1 766 . 1 1 107 107 GLN CG C 13 33.74 0.3 . 1 . . . . . . . . 5786 1 767 . 1 1 107 107 GLN N N 15 119.72 0.3 . 1 . . . . . . . . 5786 1 768 . 1 1 108 108 ASP H H 1 8.74 0.03 . 1 . . . . . . . . 5786 1 769 . 1 1 108 108 ASP HA H 1 4.91 0.03 . 1 . . . . . . . . 5786 1 770 . 1 1 108 108 ASP HB2 H 1 2.54 0.03 . 1 . . . . . . . . 5786 1 771 . 1 1 108 108 ASP HB3 H 1 3.37 0.03 . 1 . . . . . . . . 5786 1 772 . 1 1 108 108 ASP CA C 13 53.27 0.3 . 1 . . . . . . . . 5786 1 773 . 1 1 108 108 ASP CB C 13 43.38 0.3 . 1 . . . . . . . . 5786 1 774 . 1 1 108 108 ASP N N 15 126.54 0.3 . 1 . . . . . . . . 5786 1 775 . 1 1 109 109 LYS H H 1 9.02 0.03 . 1 . . . . . . . . 5786 1 776 . 1 1 109 109 LYS HA H 1 4.03 0.03 . 1 . . . . . . . . 5786 1 777 . 1 1 109 109 LYS HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5786 1 778 . 1 1 109 109 LYS HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5786 1 779 . 1 1 109 109 LYS HG3 H 1 1.47 0.03 . 1 . . . . . . . . 5786 1 780 . 1 1 109 109 LYS HD3 H 1 1.63 0.03 . 1 . . . . . . . . 5786 1 781 . 1 1 109 109 LYS HE3 H 1 2.93 0.03 . 1 . . . . . . . . 5786 1 782 . 1 1 109 109 LYS CA C 13 58.44 0.3 . 1 . . . . . . . . 5786 1 783 . 1 1 109 109 LYS CB C 13 32.32 0.3 . 1 . . . . . . . . 5786 1 784 . 1 1 109 109 LYS CG C 13 25.28 0.3 . 1 . . . . . . . . 5786 1 785 . 1 1 109 109 LYS CD C 13 28.78 0.3 . 1 . . . . . . . . 5786 1 786 . 1 1 109 109 LYS CE C 13 41.74 0.3 . 1 . . . . . . . . 5786 1 787 . 1 1 109 109 LYS N N 15 126.54 0.3 . 1 . . . . . . . . 5786 1 788 . 1 1 110 110 GLU H H 1 9.02 0.03 . 1 . . . . . . . . 5786 1 789 . 1 1 110 110 GLU HA H 1 4.39 0.03 . 1 . . . . . . . . 5786 1 790 . 1 1 110 110 GLU HB3 H 1 2.19 0.03 . 1 . . . . . . . . 5786 1 791 . 1 1 110 110 GLU HG2 H 1 2.21 0.03 . 1 . . . . . . . . 5786 1 792 . 1 1 110 110 GLU HG3 H 1 2.34 0.03 . 1 . . . . . . . . 5786 1 793 . 1 1 110 110 GLU CA C 13 57.97 0.3 . 1 . . . . . . . . 5786 1 794 . 1 1 110 110 GLU CB C 13 30.68 0.3 . 1 . . . . . . . . 5786 1 795 . 1 1 110 110 GLU CG C 13 36.85 0.3 . 1 . . . . . . . . 5786 1 796 . 1 1 110 110 GLU N N 15 117.79 0.3 . 1 . . . . . . . . 5786 1 797 . 1 1 111 111 THR H H 1 8.13 0.03 . 1 . . . . . . . . 5786 1 798 . 1 1 111 111 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 5786 1 799 . 1 1 111 111 THR HB H 1 4.40 0.03 . 1 . . . . . . . . 5786 1 800 . 1 1 111 111 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 801 . 1 1 111 111 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 802 . 1 1 111 111 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 803 . 1 1 111 111 THR CA C 13 61.74 0.3 . 1 . . . . . . . . 5786 1 804 . 1 1 111 111 THR CB C 13 69.97 0.3 . 1 . . . . . . . . 5786 1 805 . 1 1 111 111 THR CG2 C 13 21.50 0.3 . 1 . . . . . . . . 5786 1 806 . 1 1 111 111 THR N N 15 109.04 0.3 . 1 . . . . . . . . 5786 1 807 . 1 1 112 112 GLN H H 1 8.18 0.03 . 1 . . . . . . . . 5786 1 808 . 1 1 112 112 GLN HA H 1 3.90 0.03 . 1 . . . . . . . . 5786 1 809 . 1 1 112 112 GLN HB2 H 1 2.26 0.03 . 1 . . . . . . . . 5786 1 810 . 1 1 112 112 GLN HB3 H 1 2.42 0.03 . 1 . . . . . . . . 5786 1 811 . 1 1 112 112 GLN HG2 H 1 2.18 0.03 . 1 . . . . . . . . 5786 1 812 . 1 1 112 112 GLN HG3 H 1 2.25 0.03 . 1 . . . . . . . . 5786 1 813 . 1 1 112 112 GLN CA C 13 57.74 0.3 . 1 . . . . . . . . 5786 1 814 . 1 1 112 112 GLN CB C 13 25.97 0.3 . 1 . . . . . . . . 5786 1 815 . 1 1 112 112 GLN CG C 13 34.18 0.3 . 1 . . . . . . . . 5786 1 816 . 1 1 112 112 GLN N N 15 113.94 0.3 . 1 . . . . . . . . 5786 1 817 . 1 1 113 113 GLU H H 1 7.73 0.03 . 1 . . . . . . . . 5786 1 818 . 1 1 113 113 GLU HA H 1 3.79 0.03 . 1 . . . . . . . . 5786 1 819 . 1 1 113 113 GLU HB2 H 1 1.26 0.03 . 1 . . . . . . . . 5786 1 820 . 1 1 113 113 GLU HB3 H 1 1.54 0.03 . 1 . . . . . . . . 5786 1 821 . 1 1 113 113 GLU HG2 H 1 1.71 0.03 . 1 . . . . . . . . 5786 1 822 . 1 1 113 113 GLU HG3 H 1 2.01 0.03 . 1 . . . . . . . . 5786 1 823 . 1 1 113 113 GLU CA C 13 57.44 0.3 . 1 . . . . . . . . 5786 1 824 . 1 1 113 113 GLU CB C 13 32.09 0.3 . 1 . . . . . . . . 5786 1 825 . 1 1 113 113 GLU CG C 13 37.17 0.3 . 1 . . . . . . . . 5786 1 826 . 1 1 113 113 GLU N N 15 121.47 0.3 . 1 . . . . . . . . 5786 1 827 . 1 1 114 114 LYS H H 1 7.56 0.03 . 1 . . . . . . . . 5786 1 828 . 1 1 114 114 LYS HA H 1 5.29 0.03 . 1 . . . . . . . . 5786 1 829 . 1 1 114 114 LYS HB2 H 1 1.53 0.03 . 1 . . . . . . . . 5786 1 830 . 1 1 114 114 LYS HB3 H 1 1.75 0.03 . 1 . . . . . . . . 5786 1 831 . 1 1 114 114 LYS HG2 H 1 1.34 0.03 . 1 . . . . . . . . 5786 1 832 . 1 1 114 114 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 5786 1 833 . 1 1 114 114 LYS HD3 H 1 1.50 0.03 . 1 . . . . . . . . 5786 1 834 . 1 1 114 114 LYS HE3 H 1 2.73 0.03 . 1 . . . . . . . . 5786 1 835 . 1 1 114 114 LYS CA C 13 54.94 0.3 . 1 . . . . . . . . 5786 1 836 . 1 1 114 114 LYS CB C 13 37.03 0.3 . 1 . . . . . . . . 5786 1 837 . 1 1 114 114 LYS CG C 13 25.03 0.3 . 1 . . . . . . . . 5786 1 838 . 1 1 114 114 LYS CD C 13 29.50 0.3 . 1 . . . . . . . . 5786 1 839 . 1 1 114 114 LYS CE C 13 41.57 0.3 . 1 . . . . . . . . 5786 1 840 . 1 1 114 114 LYS N N 15 120.24 0.3 . 1 . . . . . . . . 5786 1 841 . 1 1 115 115 TRP H H 1 9.48 0.03 . 1 . . . . . . . . 5786 1 842 . 1 1 115 115 TRP HA H 1 5.13 0.03 . 1 . . . . . . . . 5786 1 843 . 1 1 115 115 TRP HB2 H 1 3.21 0.03 . 1 . . . . . . . . 5786 1 844 . 1 1 115 115 TRP HB3 H 1 3.83 0.03 . 1 . . . . . . . . 5786 1 845 . 1 1 115 115 TRP HD1 H 1 7.52 0.03 . 1 . . . . . . . . 5786 1 846 . 1 1 115 115 TRP HE1 H 1 9.84 0.03 . 1 . . . . . . . . 5786 1 847 . 1 1 115 115 TRP HE3 H 1 7.44 0.03 . 1 . . . . . . . . 5786 1 848 . 1 1 115 115 TRP HZ2 H 1 7.28 0.03 . 1 . . . . . . . . 5786 1 849 . 1 1 115 115 TRP HZ3 H 1 6.55 0.03 . 1 . . . . . . . . 5786 1 850 . 1 1 115 115 TRP HH2 H 1 6.96 0.03 . 1 . . . . . . . . 5786 1 851 . 1 1 115 115 TRP CA C 13 58.20 0.3 . 1 . . . . . . . . 5786 1 852 . 1 1 115 115 TRP CB C 13 34.44 0.3 . 1 . . . . . . . . 5786 1 853 . 1 1 115 115 TRP CD1 C 13 127.33 0.3 . 1 . . . . . . . . 5786 1 854 . 1 1 115 115 TRP CE3 C 13 121.67 0.3 . 1 . . . . . . . . 5786 1 855 . 1 1 115 115 TRP CZ2 C 13 114.39 0.3 . 1 . . . . . . . . 5786 1 856 . 1 1 115 115 TRP CZ3 C 13 121.26 0.3 . 1 . . . . . . . . 5786 1 857 . 1 1 115 115 TRP CH2 C 13 123.69 0.3 . 1 . . . . . . . . 5786 1 858 . 1 1 115 115 TRP N N 15 123.57 0.3 . 1 . . . . . . . . 5786 1 859 . 1 1 115 115 TRP NE1 N 15 128.79 0.3 . 1 . . . . . . . . 5786 1 860 . 1 1 116 116 GLN H H 1 9.31 0.03 . 1 . . . . . . . . 5786 1 861 . 1 1 116 116 GLN HA H 1 6.06 0.03 . 1 . . . . . . . . 5786 1 862 . 1 1 116 116 GLN HB3 H 1 1.85 0.03 . 1 . . . . . . . . 5786 1 863 . 1 1 116 116 GLN HG2 H 1 2.19 0.03 . 1 . . . . . . . . 5786 1 864 . 1 1 116 116 GLN HG3 H 1 2.42 0.03 . 1 . . . . . . . . 5786 1 865 . 1 1 116 116 GLN CA C 13 54.44 0.3 . 1 . . . . . . . . 5786 1 866 . 1 1 116 116 GLN CB C 13 34.09 0.3 . 1 . . . . . . . . 5786 1 867 . 1 1 116 116 GLN CG C 13 32.79 0.3 . 1 . . . . . . . . 5786 1 868 . 1 1 116 116 GLN N N 15 117.95 0.3 . 1 . . . . . . . . 5786 1 869 . 1 1 117 117 VAL H H 1 8.67 0.03 . 1 . . . . . . . . 5786 1 870 . 1 1 117 117 VAL HA H 1 4.36 0.03 . 1 . . . . . . . . 5786 1 871 . 1 1 117 117 VAL HB H 1 1.28 0.03 . 1 . . . . . . . . 5786 1 872 . 1 1 117 117 VAL HG11 H 1 0.63 0.03 . 1 . . . . . . . . 5786 1 873 . 1 1 117 117 VAL HG12 H 1 0.63 0.03 . 1 . . . . . . . . 5786 1 874 . 1 1 117 117 VAL HG13 H 1 0.63 0.03 . 1 . . . . . . . . 5786 1 875 . 1 1 117 117 VAL HG21 H 1 -0.04 0.03 . 1 . . . . . . . . 5786 1 876 . 1 1 117 117 VAL HG22 H 1 -0.04 0.03 . 1 . . . . . . . . 5786 1 877 . 1 1 117 117 VAL HG23 H 1 -0.04 0.03 . 1 . . . . . . . . 5786 1 878 . 1 1 117 117 VAL CA C 13 59.98 0.3 . 1 . . . . . . . . 5786 1 879 . 1 1 117 117 VAL CB C 13 35.17 0.3 . 1 . . . . . . . . 5786 1 880 . 1 1 117 117 VAL CG1 C 13 21.47 0.3 . 1 . . . . . . . . 5786 1 881 . 1 1 117 117 VAL CG2 C 13 18.18 0.3 . 1 . . . . . . . . 5786 1 882 . 1 1 117 117 VAL N N 15 120.59 0.3 . 1 . . . . . . . . 5786 1 883 . 1 1 118 118 ALA H H 1 7.59 0.03 . 1 . . . . . . . . 5786 1 884 . 1 1 118 118 ALA HA H 1 4.72 0.03 . 1 . . . . . . . . 5786 1 885 . 1 1 118 118 ALA HB1 H 1 1.32 0.03 . 1 . . . . . . . . 5786 1 886 . 1 1 118 118 ALA HB2 H 1 1.32 0.03 . 1 . . . . . . . . 5786 1 887 . 1 1 118 118 ALA HB3 H 1 1.32 0.03 . 1 . . . . . . . . 5786 1 888 . 1 1 118 118 ALA CA C 13 51.14 0.3 . 1 . . . . . . . . 5786 1 889 . 1 1 118 118 ALA CB C 13 20.20 0.3 . 1 . . . . . . . . 5786 1 890 . 1 1 118 118 ALA N N 15 128.36 0.3 . 1 . . . . . . . . 5786 1 891 . 1 1 119 119 VAL H H 1 8.47 0.03 . 1 . . . . . . . . 5786 1 892 . 1 1 119 119 VAL HA H 1 4.47 0.03 . 1 . . . . . . . . 5786 1 893 . 1 1 119 119 VAL HB H 1 0.14 0.03 . 1 . . . . . . . . 5786 1 894 . 1 1 119 119 VAL HG11 H 1 0.27 0.03 . 1 . . . . . . . . 5786 1 895 . 1 1 119 119 VAL HG12 H 1 0.27 0.03 . 1 . . . . . . . . 5786 1 896 . 1 1 119 119 VAL HG13 H 1 0.27 0.03 . 1 . . . . . . . . 5786 1 897 . 1 1 119 119 VAL HG21 H 1 0.24 0.03 . 1 . . . . . . . . 5786 1 898 . 1 1 119 119 VAL HG22 H 1 0.24 0.03 . 1 . . . . . . . . 5786 1 899 . 1 1 119 119 VAL HG23 H 1 0.24 0.03 . 1 . . . . . . . . 5786 1 900 . 1 1 119 119 VAL CA C 13 60.54 0.3 . 1 . . . . . . . . 5786 1 901 . 1 1 119 119 VAL CB C 13 32.61 0.3 . 1 . . . . . . . . 5786 1 902 . 1 1 119 119 VAL CG1 C 13 22.85 0.3 . 1 . . . . . . . . 5786 1 903 . 1 1 119 119 VAL CG2 C 13 21.03 0.3 . 1 . . . . . . . . 5786 1 904 . 1 1 119 119 VAL N N 15 122.17 0.3 . 1 . . . . . . . . 5786 1 905 . 1 1 120 120 ASN H H 1 8.61 0.03 . 1 . . . . . . . . 5786 1 906 . 1 1 120 120 ASN HA H 1 5.27 0.03 . 1 . . . . . . . . 5786 1 907 . 1 1 120 120 ASN HB2 H 1 2.50 0.03 . 1 . . . . . . . . 5786 1 908 . 1 1 120 120 ASN HB3 H 1 2.67 0.03 . 1 . . . . . . . . 5786 1 909 . 1 1 120 120 ASN CA C 13 51.40 0.3 . 1 . . . . . . . . 5786 1 910 . 1 1 120 120 ASN CB C 13 40.91 0.3 . 1 . . . . . . . . 5786 1 911 . 1 1 120 120 ASN N N 15 124.62 0.3 . 1 . . . . . . . . 5786 1 912 . 1 1 121 121 LEU H H 1 9.05 0.03 . 1 . . . . . . . . 5786 1 913 . 1 1 121 121 LEU HA H 1 5.33 0.03 . 1 . . . . . . . . 5786 1 914 . 1 1 121 121 LEU HB2 H 1 1.26 0.03 . 1 . . . . . . . . 5786 1 915 . 1 1 121 121 LEU HB3 H 1 1.81 0.03 . 1 . . . . . . . . 5786 1 916 . 1 1 121 121 LEU HG H 1 1.48 0.03 . 1 . . . . . . . . 5786 1 917 . 1 1 121 121 LEU HD11 H 1 0.65 0.03 . 1 . . . . . . . . 5786 1 918 . 1 1 121 121 LEU HD12 H 1 0.65 0.03 . 1 . . . . . . . . 5786 1 919 . 1 1 121 121 LEU HD13 H 1 0.65 0.03 . 1 . . . . . . . . 5786 1 920 . 1 1 121 121 LEU CA C 13 52.77 0.3 . 1 . . . . . . . . 5786 1 921 . 1 1 121 121 LEU CB C 13 44.09 0.3 . 1 . . . . . . . . 5786 1 922 . 1 1 121 121 LEU CG C 13 26.68 0.3 . 1 . . . . . . . . 5786 1 923 . 1 1 121 121 LEU CD1 C 13 24.32 0.3 . 1 . . . . . . . . 5786 1 924 . 1 1 121 121 LEU N N 15 123.74 0.3 . 1 . . . . . . . . 5786 1 925 . 1 1 122 122 SER H H 1 8.34 0.03 . 1 . . . . . . . . 5786 1 926 . 1 1 122 122 SER HA H 1 5.09 0.03 . 1 . . . . . . . . 5786 1 927 . 1 1 122 122 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 5786 1 928 . 1 1 122 122 SER CA C 13 56.96 0.3 . 1 . . . . . . . . 5786 1 929 . 1 1 122 122 SER CB C 13 65.64 0.3 . 1 . . . . . . . . 5786 1 930 . 1 1 122 122 SER N N 15 116.04 0.3 . 1 . . . . . . . . 5786 1 931 . 1 1 123 123 ARG H H 1 8.59 0.03 . 1 . . . . . . . . 5786 1 932 . 1 1 123 123 ARG HA H 1 4.76 0.03 . 1 . . . . . . . . 5786 1 933 . 1 1 123 123 ARG HB2 H 1 1.79 0.03 . 1 . . . . . . . . 5786 1 934 . 1 1 123 123 ARG HB3 H 1 1.89 0.03 . 1 . . . . . . . . 5786 1 935 . 1 1 123 123 ARG HG3 H 1 1.71 0.03 . 1 . . . . . . . . 5786 1 936 . 1 1 123 123 ARG HD3 H 1 3.18 0.03 . 1 . . . . . . . . 5786 1 937 . 1 1 123 123 ARG CA C 13 55.52 0.3 . 1 . . . . . . . . 5786 1 938 . 1 1 123 123 ARG CB C 13 30.95 0.3 . 1 . . . . . . . . 5786 1 939 . 1 1 123 123 ARG CG C 13 27.15 0.3 . 1 . . . . . . . . 5786 1 940 . 1 1 123 123 ARG CD C 13 43.39 0.3 . 1 . . . . . . . . 5786 1 941 . 1 1 123 123 ARG N N 15 122.52 0.3 . 1 . . . . . . . . 5786 1 942 . 1 1 124 124 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 5786 1 943 . 1 1 124 124 GLU HA H 1 4.43 0.03 . 1 . . . . . . . . 5786 1 944 . 1 1 124 124 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5786 1 945 . 1 1 124 124 GLU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 5786 1 946 . 1 1 124 124 GLU HG3 H 1 2.28 0.03 . 1 . . . . . . . . 5786 1 947 . 1 1 124 124 GLU CA C 13 54.44 0.3 . 1 . . . . . . . . 5786 1 948 . 1 1 124 124 GLU CB C 13 29.50 0.3 . 1 . . . . . . . . 5786 1 949 . 1 1 124 124 GLU CG C 13 32.11 0.3 . 1 . . . . . . . . 5786 1 950 . 1 1 124 124 GLU N N 15 124.38 0.3 . 1 . . . . . . . . 5786 1 951 . 1 1 125 125 PRO HA H 1 4.49 0.03 . 1 . . . . . . . . 5786 1 952 . 1 1 125 125 PRO HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5786 1 953 . 1 1 125 125 PRO HB3 H 1 2.30 0.03 . 1 . . . . . . . . 5786 1 954 . 1 1 125 125 PRO CA C 13 63.15 0.3 . 1 . . . . . . . . 5786 1 955 . 1 1 125 125 PRO CB C 13 32.09 0.3 . 1 . . . . . . . . 5786 1 956 . 1 1 125 125 PRO CG C 13 26.73 0.3 . 1 . . . . . . . . 5786 1 957 . 1 1 125 125 PRO CD C 13 50.49 0.3 . 1 . . . . . . . . 5786 1 958 . 1 1 126 126 THR H H 1 8.31 0.03 . 1 . . . . . . . . 5786 1 959 . 1 1 126 126 THR HA H 1 4.31 0.03 . 1 . . . . . . . . 5786 1 960 . 1 1 126 126 THR HB H 1 4.17 0.03 . 1 . . . . . . . . 5786 1 961 . 1 1 126 126 THR HG21 H 1 1.22 0.03 . 1 . . . . . . . . 5786 1 962 . 1 1 126 126 THR HG22 H 1 1.22 0.03 . 1 . . . . . . . . 5786 1 963 . 1 1 126 126 THR HG23 H 1 1.22 0.03 . 1 . . . . . . . . 5786 1 964 . 1 1 126 126 THR CA C 13 61.97 0.3 . 1 . . . . . . . . 5786 1 965 . 1 1 126 126 THR CB C 13 69.75 0.3 . 1 . . . . . . . . 5786 1 966 . 1 1 126 126 THR CG2 C 13 21.63 0.3 . 1 . . . . . . . . 5786 1 967 . 1 1 126 126 THR N N 15 115.41 0.3 . 1 . . . . . . . . 5786 1 968 . 1 1 127 127 LEU H H 1 8.36 0.03 . 1 . . . . . . . . 5786 1 969 . 1 1 127 127 LEU HA H 1 4.47 0.03 . 1 . . . . . . . . 5786 1 970 . 1 1 127 127 LEU HB3 H 1 1.65 0.03 . 1 . . . . . . . . 5786 1 971 . 1 1 127 127 LEU HD11 H 1 0.88 0.03 . 1 . . . . . . . . 5786 1 972 . 1 1 127 127 LEU HD12 H 1 0.88 0.03 . 1 . . . . . . . . 5786 1 973 . 1 1 127 127 LEU HD13 H 1 0.88 0.03 . 1 . . . . . . . . 5786 1 974 . 1 1 127 127 LEU CA C 13 55.17 0.3 . 1 . . . . . . . . 5786 1 975 . 1 1 127 127 LEU CB C 13 42.38 0.3 . 1 . . . . . . . . 5786 1 976 . 1 1 127 127 LEU CG C 13 26.71 0.3 . 1 . . . . . . . . 5786 1 977 . 1 1 127 127 LEU CD1 C 13 24.34 0.3 . 1 . . . . . . . . 5786 1 978 . 1 1 127 127 LEU CD2 C 13 22.99 0.3 . 1 . . . . . . . . 5786 1 979 . 1 1 127 127 LEU N N 15 125.33 0.3 . 1 . . . . . . . . 5786 1 980 . 1 1 128 128 THR H H 1 8.13 0.03 . 1 . . . . . . . . 5786 1 981 . 1 1 128 128 THR HA H 1 4.34 0.03 . 1 . . . . . . . . 5786 1 982 . 1 1 128 128 THR HB H 1 4.20 0.03 . 1 . . . . . . . . 5786 1 983 . 1 1 128 128 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 984 . 1 1 128 128 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 985 . 1 1 128 128 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 986 . 1 1 128 128 THR CA C 13 61.77 0.3 . 1 . . . . . . . . 5786 1 987 . 1 1 128 128 THR CB C 13 69.72 0.3 . 1 . . . . . . . . 5786 1 988 . 1 1 128 128 THR CG2 C 13 21.03 0.3 . 1 . . . . . . . . 5786 1 989 . 1 1 128 128 THR N N 15 115.34 0.3 . 1 . . . . . . . . 5786 1 990 . 1 1 129 129 GLU H H 1 8.33 0.03 . 1 . . . . . . . . 5786 1 991 . 1 1 129 129 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . 5786 1 992 . 1 1 129 129 GLU HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5786 1 993 . 1 1 129 129 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 5786 1 994 . 1 1 129 129 GLU HG3 H 1 2.24 0.03 . 1 . . . . . . . . 5786 1 995 . 1 1 129 129 GLU CA C 13 56.33 0.3 . 1 . . . . . . . . 5786 1 996 . 1 1 129 129 GLU CB C 13 30.23 0.3 . 1 . . . . . . . . 5786 1 997 . 1 1 129 129 GLU CG C 13 36.09 0.3 . 1 . . . . . . . . 5786 1 998 . 1 1 129 129 GLU N N 15 123.27 0.3 . 1 . . . . . . . . 5786 1 999 . 1 1 130 130 GLU H H 1 8.42 0.03 . 1 . . . . . . . . 5786 1 1000 . 1 1 130 130 GLU HA H 1 4.58 0.03 . 1 . . . . . . . . 5786 1 1001 . 1 1 130 130 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5786 1 1002 . 1 1 130 130 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 5786 1 1003 . 1 1 130 130 GLU HG3 H 1 2.30 0.03 . 1 . . . . . . . . 5786 1 1004 . 1 1 130 130 GLU CA C 13 54.21 0.3 . 1 . . . . . . . . 5786 1 1005 . 1 1 130 130 GLU CB C 13 29.73 0.3 . 1 . . . . . . . . 5786 1 1006 . 1 1 130 130 GLU CG C 13 35.67 0.3 . 1 . . . . . . . . 5786 1 1007 . 1 1 130 130 GLU N N 15 123.75 0.3 . 1 . . . . . . . . 5786 1 1008 . 1 1 131 131 PRO CA C 13 63.03 0.3 . 1 . . . . . . . . 5786 1 1009 . 1 1 131 131 PRO CB C 13 31.67 0.3 . 1 . . . . . . . . 5786 1 1010 . 1 1 131 131 PRO CG C 13 26.73 0.3 . 1 . . . . . . . . 5786 1 1011 . 1 1 131 131 PRO CD C 13 50.37 0.3 . 1 . . . . . . . . 5786 1 1012 . 1 1 131 131 PRO N N 15 121.10 0.3 . 1 . . . . . . . . 5786 1 1013 . 1 1 132 132 MET H H 1 8.43 0.03 . 1 . . . . . . . . 5786 1 1014 . 1 1 132 132 MET CA C 13 55.52 0.3 . 1 . . . . . . . . 5786 1 1015 . 1 1 132 132 MET CB C 13 32.54 0.3 . 1 . . . . . . . . 5786 1 1016 . 1 1 132 132 MET CG C 13 31.65 0.3 . 1 . . . . . . . . 5786 1 1017 . 1 1 132 132 MET N N 15 120.33 0.3 . 1 . . . . . . . . 5786 1 1018 . 1 1 133 133 LYS H H 1 8.29 0.03 . 1 . . . . . . . . 5786 1 1019 . 1 1 133 133 LYS CA C 13 55.91 0.3 . 1 . . . . . . . . 5786 1 1020 . 1 1 133 133 LYS CB C 13 32.75 0.3 . 1 . . . . . . . . 5786 1 1021 . 1 1 133 133 LYS CG C 13 24.09 0.3 . 1 . . . . . . . . 5786 1 1022 . 1 1 133 133 LYS CD C 13 28.49 0.3 . 1 . . . . . . . . 5786 1 1023 . 1 1 133 133 LYS CE C 13 41.90 0.3 . 1 . . . . . . . . 5786 1 1024 . 1 1 133 133 LYS N N 15 122.98 0.3 . 1 . . . . . . . . 5786 1 1025 . 1 1 134 134 GLU H H 1 8.43 0.03 . 1 . . . . . . . . 5786 1 1026 . 1 1 134 134 GLU CA C 13 54.23 0.3 . 1 . . . . . . . . 5786 1 1027 . 1 1 134 134 GLU CB C 13 29.32 0.3 . 1 . . . . . . . . 5786 1 1028 . 1 1 134 134 GLU N N 15 123.08 0.3 . 1 . . . . . . . . 5786 1 1029 . 1 1 135 135 PRO CA C 13 63.38 0.3 . 1 . . . . . . . . 5786 1 1030 . 1 1 135 135 PRO CB C 13 31.63 0.3 . 1 . . . . . . . . 5786 1 1031 . 1 1 135 135 PRO CG C 13 26.84 0.3 . 1 . . . . . . . . 5786 1 1032 . 1 1 135 135 PRO CD C 13 50.39 0.3 . 1 . . . . . . . . 5786 1 1033 . 1 1 136 136 HIS H H 1 8.38 0.03 . 1 . . . . . . . . 5786 1 1034 . 1 1 136 136 HIS CA C 13 55.70 0.3 . 1 . . . . . . . . 5786 1 1035 . 1 1 136 136 HIS CB C 13 29.60 0.3 . 1 . . . . . . . . 5786 1 1036 . 1 1 136 136 HIS N N 15 117.92 0.3 . 1 . . . . . . . . 5786 1 1037 . 1 1 137 137 GLU CA C 13 56.50 0.3 . 1 . . . . . . . . 5786 1 1038 . 1 1 137 137 GLU CB C 13 29.84 0.3 . 1 . . . . . . . . 5786 1 1039 . 1 1 137 137 GLU CG C 13 35.94 0.3 . 1 . . . . . . . . 5786 1 1040 . 1 1 138 138 ILE H H 1 8.16 0.03 . 1 . . . . . . . . 5786 1 1041 . 1 1 138 138 ILE HA H 1 4.13 0.03 . 1 . . . . . . . . 5786 1 1042 . 1 1 138 138 ILE HB H 1 1.83 0.03 . 1 . . . . . . . . 5786 1 1043 . 1 1 138 138 ILE HG12 H 1 1.20 0.03 . 1 . . . . . . . . 5786 1 1044 . 1 1 138 138 ILE HG13 H 1 1.47 0.03 . 1 . . . . . . . . 5786 1 1045 . 1 1 138 138 ILE HG21 H 1 0.90 0.03 . 1 . . . . . . . . 5786 1 1046 . 1 1 138 138 ILE HG22 H 1 0.90 0.03 . 1 . . . . . . . . 5786 1 1047 . 1 1 138 138 ILE HG23 H 1 0.90 0.03 . 1 . . . . . . . . 5786 1 1048 . 1 1 138 138 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5786 1 1049 . 1 1 138 138 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5786 1 1050 . 1 1 138 138 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5786 1 1051 . 1 1 138 138 ILE CA C 13 61.27 0.3 . 1 . . . . . . . . 5786 1 1052 . 1 1 138 138 ILE CB C 13 38.68 0.3 . 1 . . . . . . . . 5786 1 1053 . 1 1 138 138 ILE CG1 C 13 27.38 0.3 . 1 . . . . . . . . 5786 1 1054 . 1 1 138 138 ILE CG2 C 13 17.50 0.3 . 1 . . . . . . . . 5786 1 1055 . 1 1 138 138 ILE CD1 C 13 12.79 0.3 . 1 . . . . . . . . 5786 1 1056 . 1 1 138 138 ILE N N 15 121.47 0.3 . 1 . . . . . . . . 5786 1 1057 . 1 1 139 139 GLU H H 1 8.40 0.03 . 1 . . . . . . . . 5786 1 1058 . 1 1 139 139 GLU HA H 1 4.28 0.03 . 1 . . . . . . . . 5786 1 1059 . 1 1 139 139 GLU HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5786 1 1060 . 1 1 139 139 GLU HG3 H 1 2.26 0.03 . 1 . . . . . . . . 5786 1 1061 . 1 1 139 139 GLU CA C 13 56.53 0.3 . 1 . . . . . . . . 5786 1 1062 . 1 1 139 139 GLU CB C 13 29.98 0.3 . 1 . . . . . . . . 5786 1 1063 . 1 1 139 139 GLU CG C 13 36.04 0.3 . 1 . . . . . . . . 5786 1 1064 . 1 1 139 139 GLU N N 15 124.79 0.3 . 1 . . . . . . . . 5786 1 1065 . 1 1 140 140 GLU H H 1 8.33 0.03 . 1 . . . . . . . . 5786 1 1066 . 1 1 140 140 GLU HA H 1 4.29 0.03 . 1 . . . . . . . . 5786 1 1067 . 1 1 140 140 GLU CA C 13 56.30 0.3 . 1 . . . . . . . . 5786 1 1068 . 1 1 140 140 GLU CB C 13 30.02 0.3 . 1 . . . . . . . . 5786 1 1069 . 1 1 140 140 GLU N N 15 121.98 0.3 . 1 . . . . . . . . 5786 1 1070 . 1 1 141 141 ILE H H 1 8.23 0.03 . 1 . . . . . . . . 5786 1 1071 . 1 1 141 141 ILE HA H 1 4.14 0.03 . 1 . . . . . . . . 5786 1 1072 . 1 1 141 141 ILE CA C 13 61.03 0.3 . 1 . . . . . . . . 5786 1 1073 . 1 1 141 141 ILE CB C 13 37.91 0.3 . 1 . . . . . . . . 5786 1 1074 . 1 1 141 141 ILE CG1 C 13 26.61 0.3 . 1 . . . . . . . . 5786 1 1075 . 1 1 141 141 ILE CG2 C 13 17.11 0.3 . 1 . . . . . . . . 5786 1 1076 . 1 1 141 141 ILE CD1 C 13 12.24 0.3 . 1 . . . . . . . . 5786 1 1077 . 1 1 141 141 ILE N N 15 123.04 0.3 . 1 . . . . . . . . 5786 1 1078 . 1 1 142 142 VAL H H 1 7.95 0.03 . 1 . . . . . . . . 5786 1 1079 . 1 1 142 142 VAL HA H 1 4.14 0.03 . 1 . . . . . . . . 5786 1 1080 . 1 1 142 142 VAL CA C 13 61.74 0.3 . 1 . . . . . . . . 5786 1 1081 . 1 1 142 142 VAL CB C 13 32.78 0.3 . 1 . . . . . . . . 5786 1 1082 . 1 1 142 142 VAL CG1 C 13 20.29 0.3 . 1 . . . . . . . . 5786 1 1083 . 1 1 142 142 VAL N N 15 124.38 0.3 . 1 . . . . . . . . 5786 1 1084 . 1 1 143 143 PHE H H 1 8.19 0.03 . 1 . . . . . . . . 5786 1 1085 . 1 1 143 143 PHE HA H 1 4.31 0.03 . 1 . . . . . . . . 5786 1 1086 . 1 1 143 143 PHE CA C 13 55.67 0.3 . 1 . . . . . . . . 5786 1 1087 . 1 1 143 143 PHE CB C 13 41.23 0.3 . 1 . . . . . . . . 5786 1 1088 . 1 1 143 143 PHE N N 15 124.27 0.3 . 1 . . . . . . . . 5786 1 1089 . 1 1 144 144 PRO CA C 13 63.35 0.3 . 1 . . . . . . . . 5786 1 1090 . 1 1 144 144 PRO CB C 13 31.49 0.3 . 1 . . . . . . . . 5786 1 1091 . 1 1 144 144 PRO CG C 13 26.77 0.3 . 1 . . . . . . . . 5786 1 1092 . 1 1 144 144 PRO CD C 13 50.43 0.3 . 1 . . . . . . . . 5786 1 1093 . 1 1 145 145 ARG H H 1 8.38 0.03 . 1 . . . . . . . . 5786 1 1094 . 1 1 145 145 ARG HA H 1 4.23 0.03 . 1 . . . . . . . . 5786 1 1095 . 1 1 145 145 ARG HB3 H 1 1.87 0.03 . 1 . . . . . . . . 5786 1 1096 . 1 1 145 145 ARG HG3 H 1 1.67 0.03 . 1 . . . . . . . . 5786 1 1097 . 1 1 145 145 ARG HD2 H 1 3.19 0.03 . 1 . . . . . . . . 5786 1 1098 . 1 1 145 145 ARG HD3 H 1 3.26 0.03 . 1 . . . . . . . . 5786 1 1099 . 1 1 145 145 ARG CA C 13 56.56 0.3 . 1 . . . . . . . . 5786 1 1100 . 1 1 145 145 ARG CB C 13 30.68 0.3 . 1 . . . . . . . . 5786 1 1101 . 1 1 145 145 ARG CG C 13 26.91 0.3 . 1 . . . . . . . . 5786 1 1102 . 1 1 145 145 ARG CD C 13 43.38 0.3 . 1 . . . . . . . . 5786 1 1103 . 1 1 145 145 ARG N N 15 121.12 0.3 . 1 . . . . . . . . 5786 1 1104 . 1 1 146 146 GLN H H 1 8.36 0.03 . 1 . . . . . . . . 5786 1 1105 . 1 1 146 146 GLN CA C 13 55.83 0.3 . 1 . . . . . . . . 5786 1 1106 . 1 1 146 146 GLN CB C 13 28.94 0.3 . 1 . . . . . . . . 5786 1 1107 . 1 1 146 146 GLN CG C 13 33.52 0.3 . 1 . . . . . . . . 5786 1 1108 . 1 1 146 146 GLN N N 15 121.14 0.3 . 1 . . . . . . . . 5786 1 1109 . 1 1 147 147 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 5786 1 1110 . 1 1 147 147 LEU HA H 1 4.31 0.03 . 1 . . . . . . . . 5786 1 1111 . 1 1 147 147 LEU CA C 13 55.07 0.3 . 1 . . . . . . . . 5786 1 1112 . 1 1 147 147 LEU CB C 13 41.90 0.3 . 1 . . . . . . . . 5786 1 1113 . 1 1 147 147 LEU CG C 13 26.77 0.3 . 1 . . . . . . . . 5786 1 1114 . 1 1 147 147 LEU CD1 C 13 24.35 0.3 . 1 . . . . . . . . 5786 1 1115 . 1 1 147 147 LEU CD2 C 13 22.87 0.3 . 1 . . . . . . . . 5786 1 1116 . 1 1 147 147 LEU N N 15 123.34 0.3 . 1 . . . . . . . . 5786 1 1117 . 1 1 148 148 ALA H H 1 8.19 0.03 . 1 . . . . . . . . 5786 1 1118 . 1 1 148 148 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 5786 1 1119 . 1 1 148 148 ALA HB1 H 1 1.36 0.03 . 1 . . . . . . . . 5786 1 1120 . 1 1 148 148 ALA HB2 H 1 1.36 0.03 . 1 . . . . . . . . 5786 1 1121 . 1 1 148 148 ALA HB3 H 1 1.36 0.03 . 1 . . . . . . . . 5786 1 1122 . 1 1 148 148 ALA CA C 13 52.45 0.3 . 1 . . . . . . . . 5786 1 1123 . 1 1 148 148 ALA CB C 13 18.89 0.3 . 1 . . . . . . . . 5786 1 1124 . 1 1 148 148 ALA N N 15 124.47 0.3 . 1 . . . . . . . . 5786 1 1125 . 1 1 149 149 LYS H H 1 8.21 0.03 . 1 . . . . . . . . 5786 1 1126 . 1 1 149 149 LYS HA H 1 4.28 0.03 . 1 . . . . . . . . 5786 1 1127 . 1 1 149 149 LYS CA C 13 56.39 0.3 . 1 . . . . . . . . 5786 1 1128 . 1 1 149 149 LYS CB C 13 32.64 0.3 . 1 . . . . . . . . 5786 1 1129 . 1 1 149 149 LYS N N 15 120.12 0.3 . 1 . . . . . . . . 5786 1 1130 . 1 1 151 151 SER CA C 13 58.75 0.3 . 1 . . . . . . . . 5786 1 1131 . 1 1 151 151 SER CB C 13 64.06 0.3 . 1 . . . . . . . . 5786 1 1132 . 1 1 152 152 GLY H H 1 8.41 0.03 . 1 . . . . . . . . 5786 1 1133 . 1 1 152 152 GLY HA3 H 1 3.97 0.03 . 1 . . . . . . . . 5786 1 1134 . 1 1 152 152 GLY CA C 13 45.27 0.3 . 1 . . . . . . . . 5786 1 1135 . 1 1 152 152 GLY N N 15 110.27 0.3 . 1 . . . . . . . . 5786 1 1136 . 1 1 153 153 ALA H H 1 8.11 0.03 . 1 . . . . . . . . 5786 1 1137 . 1 1 153 153 ALA CA C 13 52.64 0.3 . 1 . . . . . . . . 5786 1 1138 . 1 1 153 153 ALA CB C 13 18.89 0.3 . 1 . . . . . . . . 5786 1 1139 . 1 1 153 153 ALA N N 15 123.29 0.3 . 1 . . . . . . . . 5786 1 1140 . 1 1 154 154 LEU H H 1 8.16 0.03 . 1 . . . . . . . . 5786 1 1141 . 1 1 154 154 LEU HA H 1 4.29 0.03 . 1 . . . . . . . . 5786 1 1142 . 1 1 154 154 LEU CA C 13 55.32 0.3 . 1 . . . . . . . . 5786 1 1143 . 1 1 154 154 LEU CB C 13 41.81 0.3 . 1 . . . . . . . . 5786 1 1144 . 1 1 154 154 LEU N N 15 120.72 0.3 . 1 . . . . . . . . 5786 1 1145 . 1 1 156 156 ARG CA C 13 55.78 0.3 . 1 . . . . . . . . 5786 1 1146 . 1 1 156 156 ARG CB C 13 29.19 0.3 . 1 . . . . . . . . 5786 1 1147 . 1 1 157 157 GLN H H 1 8.34 0.03 . 1 . . . . . . . . 5786 1 1148 . 1 1 157 157 GLN CA C 13 56.28 0.3 . 1 . . . . . . . . 5786 1 1149 . 1 1 157 157 GLN CB C 13 32.83 0.3 . 1 . . . . . . . . 5786 1 1150 . 1 1 157 157 GLN CG C 13 36.04 0.3 . 1 . . . . . . . . 5786 1 1151 . 1 1 157 157 GLN N N 15 123.33 0.3 . 1 . . . . . . . . 5786 1 1152 . 1 1 158 158 LYS H H 1 8.10 0.03 . 1 . . . . . . . . 5786 1 1153 . 1 1 158 158 LYS CA C 13 53.69 0.3 . 1 . . . . . . . . 5786 1 1154 . 1 1 158 158 LYS CB C 13 30.75 0.3 . 1 . . . . . . . . 5786 1 1155 . 1 1 158 158 LYS N N 15 121.06 0.3 . 1 . . . . . . . . 5786 1 stop_ save_