data_25153 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25153 _Entry.Title ; holo_FldB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-15 _Entry.Accession_date 2014-08-15 _Entry.Last_release_date 2016-03-07 _Entry.Original_release_date 2016-03-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Changwen Jin . . . . 25153 2 Wenyu Fu . . . . 25153 3 Qian Ye . . . . 25153 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25153 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha/beta/alpha sandwich fold' . 25153 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25153 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 750 25153 '15N chemical shifts' 185 25153 '1H chemical shifts' 1159 25153 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-03-07 . original BMRB . 25153 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25155 'apo FldB' 25153 PDB 2MT9 'BMRB Entry Tracking System' 25153 stop_ save_ ############### # Citations # ############### save_holo_FldB _Citation.Sf_category citations _Citation.Sf_framecode holo_FldB _Citation.Entry_ID 25153 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25380767 _Citation.Full_citation . _Citation.Title ; Long-chain flavodoxin FldB from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR.' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 4 _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 283 _Citation.Page_last 288 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qian Ye . . . . 25153 1 2 Wenyu Fu . . . . 25153 1 3 Yunfei Hu . . . . 25153 1 4 Changwen Jin . . . . 25153 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25153 _Assembly.ID 1 _Assembly.Name 'holo FldB' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25153 1 2 'FLAVIN MONONUCLEOTIDE' 2 $entity_FMN B . no native no no . . . 25153 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25153 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNMGLFYGSSTCYTEMAAEK IRDIIGPELVTLHNLKDDSP KLMEQYDVLILGIPTWDFGE IQEDWEAVWDQLDDLNLEGK IVALYGLGDQLGYGEWFLDA LGMLHDKLSTKGVKFVGYWP TEGYEFTSPKPVIADGQLFV GLALDETNQYDLSDERIQSW CEQILNEMAEHYA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19713.229 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25153 1 2 . ASN . 25153 1 3 . MET . 25153 1 4 . GLY . 25153 1 5 . LEU . 25153 1 6 . PHE . 25153 1 7 . TYR . 25153 1 8 . GLY . 25153 1 9 . SER . 25153 1 10 . SER . 25153 1 11 . THR . 25153 1 12 . CYS . 25153 1 13 . TYR . 25153 1 14 . THR . 25153 1 15 . GLU . 25153 1 16 . MET . 25153 1 17 . ALA . 25153 1 18 . ALA . 25153 1 19 . GLU . 25153 1 20 . LYS . 25153 1 21 . ILE . 25153 1 22 . ARG . 25153 1 23 . ASP . 25153 1 24 . ILE . 25153 1 25 . ILE . 25153 1 26 . GLY . 25153 1 27 . PRO . 25153 1 28 . GLU . 25153 1 29 . LEU . 25153 1 30 . VAL . 25153 1 31 . THR . 25153 1 32 . LEU . 25153 1 33 . HIS . 25153 1 34 . ASN . 25153 1 35 . LEU . 25153 1 36 . LYS . 25153 1 37 . ASP . 25153 1 38 . ASP . 25153 1 39 . SER . 25153 1 40 . PRO . 25153 1 41 . LYS . 25153 1 42 . LEU . 25153 1 43 . MET . 25153 1 44 . GLU . 25153 1 45 . GLN . 25153 1 46 . TYR . 25153 1 47 . ASP . 25153 1 48 . VAL . 25153 1 49 . LEU . 25153 1 50 . ILE . 25153 1 51 . LEU . 25153 1 52 . GLY . 25153 1 53 . ILE . 25153 1 54 . PRO . 25153 1 55 . THR . 25153 1 56 . TRP . 25153 1 57 . ASP . 25153 1 58 . PHE . 25153 1 59 . GLY . 25153 1 60 . GLU . 25153 1 61 . ILE . 25153 1 62 . GLN . 25153 1 63 . GLU . 25153 1 64 . ASP . 25153 1 65 . TRP . 25153 1 66 . GLU . 25153 1 67 . ALA . 25153 1 68 . VAL . 25153 1 69 . TRP . 25153 1 70 . ASP . 25153 1 71 . GLN . 25153 1 72 . LEU . 25153 1 73 . ASP . 25153 1 74 . ASP . 25153 1 75 . LEU . 25153 1 76 . ASN . 25153 1 77 . LEU . 25153 1 78 . GLU . 25153 1 79 . GLY . 25153 1 80 . LYS . 25153 1 81 . ILE . 25153 1 82 . VAL . 25153 1 83 . ALA . 25153 1 84 . LEU . 25153 1 85 . TYR . 25153 1 86 . GLY . 25153 1 87 . LEU . 25153 1 88 . GLY . 25153 1 89 . ASP . 25153 1 90 . GLN . 25153 1 91 . LEU . 25153 1 92 . GLY . 25153 1 93 . TYR . 25153 1 94 . GLY . 25153 1 95 . GLU . 25153 1 96 . TRP . 25153 1 97 . PHE . 25153 1 98 . LEU . 25153 1 99 . ASP . 25153 1 100 . ALA . 25153 1 101 . LEU . 25153 1 102 . GLY . 25153 1 103 . MET . 25153 1 104 . LEU . 25153 1 105 . HIS . 25153 1 106 . ASP . 25153 1 107 . LYS . 25153 1 108 . LEU . 25153 1 109 . SER . 25153 1 110 . THR . 25153 1 111 . LYS . 25153 1 112 . GLY . 25153 1 113 . VAL . 25153 1 114 . LYS . 25153 1 115 . PHE . 25153 1 116 . VAL . 25153 1 117 . GLY . 25153 1 118 . TYR . 25153 1 119 . TRP . 25153 1 120 . PRO . 25153 1 121 . THR . 25153 1 122 . GLU . 25153 1 123 . GLY . 25153 1 124 . TYR . 25153 1 125 . GLU . 25153 1 126 . PHE . 25153 1 127 . THR . 25153 1 128 . SER . 25153 1 129 . PRO . 25153 1 130 . LYS . 25153 1 131 . PRO . 25153 1 132 . VAL . 25153 1 133 . ILE . 25153 1 134 . ALA . 25153 1 135 . ASP . 25153 1 136 . GLY . 25153 1 137 . GLN . 25153 1 138 . LEU . 25153 1 139 . PHE . 25153 1 140 . VAL . 25153 1 141 . GLY . 25153 1 142 . LEU . 25153 1 143 . ALA . 25153 1 144 . LEU . 25153 1 145 . ASP . 25153 1 146 . GLU . 25153 1 147 . THR . 25153 1 148 . ASN . 25153 1 149 . GLN . 25153 1 150 . TYR . 25153 1 151 . ASP . 25153 1 152 . LEU . 25153 1 153 . SER . 25153 1 154 . ASP . 25153 1 155 . GLU . 25153 1 156 . ARG . 25153 1 157 . ILE . 25153 1 158 . GLN . 25153 1 159 . SER . 25153 1 160 . TRP . 25153 1 161 . CYS . 25153 1 162 . GLU . 25153 1 163 . GLN . 25153 1 164 . ILE . 25153 1 165 . LEU . 25153 1 166 . ASN . 25153 1 167 . GLU . 25153 1 168 . MET . 25153 1 169 . ALA . 25153 1 170 . GLU . 25153 1 171 . HIS . 25153 1 172 . TYR . 25153 1 173 . ALA . 25153 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25153 1 . ASN 2 2 25153 1 . MET 3 3 25153 1 . GLY 4 4 25153 1 . LEU 5 5 25153 1 . PHE 6 6 25153 1 . TYR 7 7 25153 1 . GLY 8 8 25153 1 . SER 9 9 25153 1 . SER 10 10 25153 1 . THR 11 11 25153 1 . CYS 12 12 25153 1 . TYR 13 13 25153 1 . THR 14 14 25153 1 . GLU 15 15 25153 1 . MET 16 16 25153 1 . ALA 17 17 25153 1 . ALA 18 18 25153 1 . GLU 19 19 25153 1 . LYS 20 20 25153 1 . ILE 21 21 25153 1 . ARG 22 22 25153 1 . ASP 23 23 25153 1 . ILE 24 24 25153 1 . ILE 25 25 25153 1 . GLY 26 26 25153 1 . PRO 27 27 25153 1 . GLU 28 28 25153 1 . LEU 29 29 25153 1 . VAL 30 30 25153 1 . THR 31 31 25153 1 . LEU 32 32 25153 1 . HIS 33 33 25153 1 . ASN 34 34 25153 1 . LEU 35 35 25153 1 . LYS 36 36 25153 1 . ASP 37 37 25153 1 . ASP 38 38 25153 1 . SER 39 39 25153 1 . PRO 40 40 25153 1 . LYS 41 41 25153 1 . LEU 42 42 25153 1 . MET 43 43 25153 1 . GLU 44 44 25153 1 . GLN 45 45 25153 1 . TYR 46 46 25153 1 . ASP 47 47 25153 1 . VAL 48 48 25153 1 . LEU 49 49 25153 1 . ILE 50 50 25153 1 . LEU 51 51 25153 1 . GLY 52 52 25153 1 . ILE 53 53 25153 1 . PRO 54 54 25153 1 . THR 55 55 25153 1 . TRP 56 56 25153 1 . ASP 57 57 25153 1 . PHE 58 58 25153 1 . GLY 59 59 25153 1 . GLU 60 60 25153 1 . ILE 61 61 25153 1 . GLN 62 62 25153 1 . GLU 63 63 25153 1 . ASP 64 64 25153 1 . TRP 65 65 25153 1 . GLU 66 66 25153 1 . ALA 67 67 25153 1 . VAL 68 68 25153 1 . TRP 69 69 25153 1 . ASP 70 70 25153 1 . GLN 71 71 25153 1 . LEU 72 72 25153 1 . ASP 73 73 25153 1 . ASP 74 74 25153 1 . LEU 75 75 25153 1 . ASN 76 76 25153 1 . LEU 77 77 25153 1 . GLU 78 78 25153 1 . GLY 79 79 25153 1 . LYS 80 80 25153 1 . ILE 81 81 25153 1 . VAL 82 82 25153 1 . ALA 83 83 25153 1 . LEU 84 84 25153 1 . TYR 85 85 25153 1 . GLY 86 86 25153 1 . LEU 87 87 25153 1 . GLY 88 88 25153 1 . ASP 89 89 25153 1 . GLN 90 90 25153 1 . LEU 91 91 25153 1 . GLY 92 92 25153 1 . TYR 93 93 25153 1 . GLY 94 94 25153 1 . GLU 95 95 25153 1 . TRP 96 96 25153 1 . PHE 97 97 25153 1 . LEU 98 98 25153 1 . ASP 99 99 25153 1 . ALA 100 100 25153 1 . LEU 101 101 25153 1 . GLY 102 102 25153 1 . MET 103 103 25153 1 . LEU 104 104 25153 1 . HIS 105 105 25153 1 . ASP 106 106 25153 1 . LYS 107 107 25153 1 . LEU 108 108 25153 1 . SER 109 109 25153 1 . THR 110 110 25153 1 . LYS 111 111 25153 1 . GLY 112 112 25153 1 . VAL 113 113 25153 1 . LYS 114 114 25153 1 . PHE 115 115 25153 1 . VAL 116 116 25153 1 . GLY 117 117 25153 1 . TYR 118 118 25153 1 . TRP 119 119 25153 1 . PRO 120 120 25153 1 . THR 121 121 25153 1 . GLU 122 122 25153 1 . GLY 123 123 25153 1 . TYR 124 124 25153 1 . GLU 125 125 25153 1 . PHE 126 126 25153 1 . THR 127 127 25153 1 . SER 128 128 25153 1 . PRO 129 129 25153 1 . LYS 130 130 25153 1 . PRO 131 131 25153 1 . VAL 132 132 25153 1 . ILE 133 133 25153 1 . ALA 134 134 25153 1 . ASP 135 135 25153 1 . GLY 136 136 25153 1 . GLN 137 137 25153 1 . LEU 138 138 25153 1 . PHE 139 139 25153 1 . VAL 140 140 25153 1 . GLY 141 141 25153 1 . LEU 142 142 25153 1 . ALA 143 143 25153 1 . LEU 144 144 25153 1 . ASP 145 145 25153 1 . GLU 146 146 25153 1 . THR 147 147 25153 1 . ASN 148 148 25153 1 . GLN 149 149 25153 1 . TYR 150 150 25153 1 . ASP 151 151 25153 1 . LEU 152 152 25153 1 . SER 153 153 25153 1 . ASP 154 154 25153 1 . GLU 155 155 25153 1 . ARG 156 156 25153 1 . ILE 157 157 25153 1 . GLN 158 158 25153 1 . SER 159 159 25153 1 . TRP 160 160 25153 1 . CYS 161 161 25153 1 . GLU 162 162 25153 1 . GLN 163 163 25153 1 . ILE 164 164 25153 1 . LEU 165 165 25153 1 . ASN 166 166 25153 1 . GLU 167 167 25153 1 . MET 168 168 25153 1 . ALA 169 169 25153 1 . GLU 170 170 25153 1 . HIS 171 171 25153 1 . TYR 172 172 25153 1 . ALA 173 173 25153 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 25153 _Entity.ID 2 _Entity.BMRB_code FMN _Entity.Name entity_FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 456.344 _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 'FLAVIN MONONUCLEOTIDE' BMRB 25153 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 25153 2 FMN 'Three letter code' 25153 2 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 1 FMN $chem_comp_FMN 25153 2 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 25153 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . 25153 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 25153 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET-21 . . . 25153 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 25153 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 25153 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 25153 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 25153 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25153 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 25153 FMN ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; InChI InChI 1.03 25153 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 25153 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 25153 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25153 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 25153 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 25153 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 25153 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 25153 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 25153 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 25153 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 25153 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 25153 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 25153 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 25153 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 25153 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 25153 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 25153 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 25153 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 25153 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 25153 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 25153 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 25153 FMN C1' C1' C1' C1* . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 25153 FMN C2' C2' C2' C2* . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 25153 FMN O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 25153 FMN C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 25153 FMN O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 25153 FMN C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 25153 FMN O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 25153 FMN C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 25153 FMN O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 25153 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 25153 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 25153 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 25153 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 25153 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 25153 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 25153 FMN HM71 HM71 HM71 1HM7 . H . . N 0 . . . 0 no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 25153 FMN HM72 HM72 HM72 2HM7 . H . . N 0 . . . 0 no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 25153 FMN HM73 HM73 HM73 3HM7 . H . . N 0 . . . 0 no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 25153 FMN HM81 HM81 HM81 1HM8 . H . . N 0 . . . 0 no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 25153 FMN HM82 HM82 HM82 2HM8 . H . . N 0 . . . 0 no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 25153 FMN HM83 HM83 HM83 3HM8 . H . . N 0 . . . 0 no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 25153 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 25153 FMN H1'1 H1'1 H1'1 1H1* . H . . N 0 . . . 0 no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 25153 FMN H1'2 H1'2 H1'2 2H1* . H . . N 0 . . . 0 no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 25153 FMN H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 25153 FMN HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 25153 FMN H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 25153 FMN HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 25153 FMN H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 25153 FMN HO4' HO4' HO4' *HO4 . H . . N 0 . . . 0 no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 25153 FMN H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 25153 FMN H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 25153 FMN HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 25153 FMN HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 25153 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 25153 FMN 2 . DOUB N1 C10 yes N 2 . 25153 FMN 3 . DOUB C2 O2 no N 3 . 25153 FMN 4 . SING C2 N3 yes N 4 . 25153 FMN 5 . SING N3 C4 yes N 5 . 25153 FMN 6 . SING N3 HN3 no N 6 . 25153 FMN 7 . DOUB C4 O4 no N 7 . 25153 FMN 8 . SING C4 C4A yes N 8 . 25153 FMN 9 . DOUB C4A N5 yes N 9 . 25153 FMN 10 . SING C4A C10 yes N 10 . 25153 FMN 11 . SING N5 C5A yes N 11 . 25153 FMN 12 . DOUB C5A C6 yes N 12 . 25153 FMN 13 . SING C5A C9A yes N 13 . 25153 FMN 14 . SING C6 C7 yes N 14 . 25153 FMN 15 . SING C6 H6 no N 15 . 25153 FMN 16 . SING C7 C7M no N 16 . 25153 FMN 17 . DOUB C7 C8 yes N 17 . 25153 FMN 18 . SING C7M HM71 no N 18 . 25153 FMN 19 . SING C7M HM72 no N 19 . 25153 FMN 20 . SING C7M HM73 no N 20 . 25153 FMN 21 . SING C8 C8M no N 21 . 25153 FMN 22 . SING C8 C9 yes N 22 . 25153 FMN 23 . SING C8M HM81 no N 23 . 25153 FMN 24 . SING C8M HM82 no N 24 . 25153 FMN 25 . SING C8M HM83 no N 25 . 25153 FMN 26 . DOUB C9 C9A yes N 26 . 25153 FMN 27 . SING C9 H9 no N 27 . 25153 FMN 28 . SING C9A N10 yes N 28 . 25153 FMN 29 . SING N10 C10 yes N 29 . 25153 FMN 30 . SING N10 C1' no N 30 . 25153 FMN 31 . SING C1' C2' no N 31 . 25153 FMN 32 . SING C1' H1'1 no N 32 . 25153 FMN 33 . SING C1' H1'2 no N 33 . 25153 FMN 34 . SING C2' O2' no N 34 . 25153 FMN 35 . SING C2' C3' no N 35 . 25153 FMN 36 . SING C2' H2' no N 36 . 25153 FMN 37 . SING O2' HO2' no N 37 . 25153 FMN 38 . SING C3' O3' no N 38 . 25153 FMN 39 . SING C3' C4' no N 39 . 25153 FMN 40 . SING C3' H3' no N 40 . 25153 FMN 41 . SING O3' HO3' no N 41 . 25153 FMN 42 . SING C4' O4' no N 42 . 25153 FMN 43 . SING C4' C5' no N 43 . 25153 FMN 44 . SING C4' H4' no N 44 . 25153 FMN 45 . SING O4' HO4' no N 45 . 25153 FMN 46 . SING C5' O5' no N 46 . 25153 FMN 47 . SING C5' H5'1 no N 47 . 25153 FMN 48 . SING C5' H5'2 no N 48 . 25153 FMN 49 . SING O5' P no N 49 . 25153 FMN 50 . DOUB P O1P no N 50 . 25153 FMN 51 . SING P O2P no N 51 . 25153 FMN 52 . SING P O3P no N 52 . 25153 FMN 53 . SING O2P HOP2 no N 53 . 25153 FMN 54 . SING O3P HOP3 no N 54 . 25153 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25153 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 25153 1 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 25153 1 3 'FLAVIN MONONUCLEOTIDE' 'natural abundance' . . 2 $entity_FMN . . 2 . . mM . . . . 25153 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25153 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25153 2 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 25153 2 3 'FLAVIN MONONUCLEOTIDE' 'natural abundance' . . 2 $entity_FMN . . 2 . . mM . . . . 25153 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25153 _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 7 . pH 25153 1 pressure 1 . atm 25153 1 temperature 298 . K 25153 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25153 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25153 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25153 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25153 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25153 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25153 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25153 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25153 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25153 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25153 1 2 spectrometer_2 Bruker Avance . 800 . . . 25153 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 25153 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25153 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25153 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25153 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25153 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25153 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25153 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25153 1 2 '3D CBCA(CO)NH' . . . 25153 1 3 '3D HNCO' . . . 25153 1 5 '3D HNCACB' . . . 25153 1 6 '3D HBHA(CO)NH' . . . 25153 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.250 . . . . . . A 1 MET HA . 25153 1 2 . 1 1 1 1 MET HB2 H 1 2.074 . . . . . . A 1 MET HB2 . 25153 1 3 . 1 1 1 1 MET HG2 H 1 2.450 . . . . . . A 1 MET HG2 . 25153 1 4 . 1 1 1 1 MET HE1 H 1 1.953 . . . . . . A 1 MET HE1 . 25153 1 5 . 1 1 1 1 MET HE2 H 1 1.953 . . . . . . A 1 MET HE2 . 25153 1 6 . 1 1 1 1 MET HE3 H 1 1.953 . . . . . . A 1 MET HE3 . 25153 1 7 . 1 1 1 1 MET C C 13 171.560 . . . . . . A 1 MET C . 25153 1 8 . 1 1 1 1 MET CA C 13 55.300 . . . . . . A 1 MET CA . 25153 1 9 . 1 1 1 1 MET CB C 13 33.126 . . . . . . A 1 MET CB . 25153 1 10 . 1 1 1 1 MET CG C 13 31.200 . . . . . . A 1 MET CG . 25153 1 11 . 1 1 1 1 MET CE C 13 17.000 . . . . . . A 1 MET CE . 25153 1 12 . 1 1 2 2 ASN H H 1 9.428 . . . . . . A 2 ASN H . 25153 1 13 . 1 1 2 2 ASN HA H 1 5.208 . . . . . . A 2 ASN HA . 25153 1 14 . 1 1 2 2 ASN HB2 H 1 3.060 . . . . . . A 2 ASN HB2 . 25153 1 15 . 1 1 2 2 ASN HD21 H 1 6.821 . . . . . . A 2 ASN HD21 . 25153 1 16 . 1 1 2 2 ASN HD22 H 1 7.707 . . . . . . A 2 ASN HD22 . 25153 1 17 . 1 1 2 2 ASN C C 13 174.590 . . . . . . A 2 ASN C . 25153 1 18 . 1 1 2 2 ASN CA C 13 53.000 . . . . . . A 2 ASN CA . 25153 1 19 . 1 1 2 2 ASN CB C 13 39.970 . . . . . . A 2 ASN CB . 25153 1 20 . 1 1 2 2 ASN N N 15 123.320 . . . . . . A 2 ASN N . 25153 1 21 . 1 1 2 2 ASN ND2 N 15 113.860 . . . . . . A 2 ASN ND2 . 25153 1 22 . 1 1 3 3 MET H H 1 8.751 . . . . . . A 3 MET H . 25153 1 23 . 1 1 3 3 MET HA H 1 5.530 . . . . . . A 3 MET HA . 25153 1 24 . 1 1 3 3 MET HB2 H 1 2.227 . . . . . . A 3 MET HB2 . 25153 1 25 . 1 1 3 3 MET HB3 H 1 1.600 . . . . . . A 3 MET HB3 . 25153 1 26 . 1 1 3 3 MET HG2 H 1 2.250 . . . . . . A 3 MET HG2 . 25153 1 27 . 1 1 3 3 MET HG3 H 1 2.485 . . . . . . A 3 MET HG3 . 25153 1 28 . 1 1 3 3 MET HE1 H 1 1.970 . . . . . . A 3 MET HE1 . 25153 1 29 . 1 1 3 3 MET HE2 H 1 1.970 . . . . . . A 3 MET HE2 . 25153 1 30 . 1 1 3 3 MET HE3 H 1 1.970 . . . . . . A 3 MET HE3 . 25153 1 31 . 1 1 3 3 MET C C 13 174.400 . . . . . . A 3 MET C . 25153 1 32 . 1 1 3 3 MET CA C 13 54.643 . . . . . . A 3 MET CA . 25153 1 33 . 1 1 3 3 MET CB C 13 34.637 . . . . . . A 3 MET CB . 25153 1 34 . 1 1 3 3 MET CG C 13 32.900 . . . . . . A 3 MET CG . 25153 1 35 . 1 1 3 3 MET CE C 13 19.000 . . . . . . A 3 MET CE . 25153 1 36 . 1 1 3 3 MET N N 15 120.920 . . . . . . A 3 MET N . 25153 1 37 . 1 1 4 4 GLY H H 1 8.927 . . . . . . A 4 GLY H . 25153 1 38 . 1 1 4 4 GLY HA2 H 1 4.152 . . . . . . A 4 GLY HA2 . 25153 1 39 . 1 1 4 4 GLY HA3 H 1 2.074 . . . . . . A 4 GLY HA3 . 25153 1 40 . 1 1 4 4 GLY C C 13 170.413 . . . . . . A 4 GLY C . 25153 1 41 . 1 1 4 4 GLY CA C 13 43.102 . . . . . . A 4 GLY CA . 25153 1 42 . 1 1 4 4 GLY N N 15 115.542 . . . . . . A 4 GLY N . 25153 1 43 . 1 1 5 5 LEU H H 1 8.928 . . . . . . A 5 LEU H . 25153 1 44 . 1 1 5 5 LEU HA H 1 6.402 . . . . . . A 5 LEU HA . 25153 1 45 . 1 1 5 5 LEU HB2 H 1 1.793 . . . . . . A 5 LEU HB2 . 25153 1 46 . 1 1 5 5 LEU HB3 H 1 1.168 . . . . . . A 5 LEU HB3 . 25153 1 47 . 1 1 5 5 LEU HG H 1 0.914 . . . . . . A 5 LEU HG . 25153 1 48 . 1 1 5 5 LEU HD11 H 1 1.178 . . . . . . A 5 LEU HD11 . 25153 1 49 . 1 1 5 5 LEU HD12 H 1 1.178 . . . . . . A 5 LEU HD12 . 25153 1 50 . 1 1 5 5 LEU HD13 H 1 1.178 . . . . . . A 5 LEU HD13 . 25153 1 51 . 1 1 5 5 LEU C C 13 175.952 . . . . . . A 5 LEU C . 25153 1 52 . 1 1 5 5 LEU CA C 13 53.450 . . . . . . A 5 LEU CA . 25153 1 53 . 1 1 5 5 LEU CB C 13 44.592 . . . . . . A 5 LEU CB . 25153 1 54 . 1 1 5 5 LEU CG C 13 27.530 . . . . . . A 5 LEU CG . 25153 1 55 . 1 1 5 5 LEU CD1 C 13 24.700 . . . . . . A 5 LEU CD1 . 25153 1 56 . 1 1 5 5 LEU N N 15 131.030 . . . . . . A 5 LEU N . 25153 1 57 . 1 1 6 6 PHE H H 1 9.237 . . . . . . A 6 PHE H . 25153 1 58 . 1 1 6 6 PHE HA H 1 5.740 . . . . . . A 6 PHE HA . 25153 1 59 . 1 1 6 6 PHE HB2 H 1 3.260 . . . . . . A 6 PHE HB2 . 25153 1 60 . 1 1 6 6 PHE HB3 H 1 2.345 . . . . . . A 6 PHE HB3 . 25153 1 61 . 1 1 6 6 PHE HD1 H 1 6.994 . . . . . . A 6 PHE HD1 . 25153 1 62 . 1 1 6 6 PHE HE1 H 1 6.820 . . . . . . A 6 PHE HE1 . 25153 1 63 . 1 1 6 6 PHE HZ H 1 6.575 . . . . . . A 6 PHE HZ . 25153 1 64 . 1 1 6 6 PHE C C 13 174.300 . . . . . . A 6 PHE C . 25153 1 65 . 1 1 6 6 PHE CA C 13 55.320 . . . . . . A 6 PHE CA . 25153 1 66 . 1 1 6 6 PHE CB C 13 41.230 . . . . . . A 6 PHE CB . 25153 1 67 . 1 1 6 6 PHE CE1 C 13 130.276 . . . . . . A 6 PHE CE1 . 25153 1 68 . 1 1 6 6 PHE CZ C 13 130.350 . . . . . . A 6 PHE CZ . 25153 1 69 . 1 1 6 6 PHE N N 15 125.790 . . . . . . A 6 PHE N . 25153 1 70 . 1 1 7 7 TYR H H 1 8.125 . . . . . . A 7 TYR H . 25153 1 71 . 1 1 7 7 TYR HA H 1 5.965 . . . . . . A 7 TYR HA . 25153 1 72 . 1 1 7 7 TYR HB2 H 1 2.862 . . . . . . A 7 TYR HB2 . 25153 1 73 . 1 1 7 7 TYR HD1 H 1 6.583 . . . . . . A 7 TYR HD1 . 25153 1 74 . 1 1 7 7 TYR HE1 H 1 6.530 . . . . . . A 7 TYR HE1 . 25153 1 75 . 1 1 7 7 TYR C C 13 171.262 . . . . . . A 7 TYR C . 25153 1 76 . 1 1 7 7 TYR CA C 13 55.400 . . . . . . A 7 TYR CA . 25153 1 77 . 1 1 7 7 TYR CB C 13 41.240 . . . . . . A 7 TYR CB . 25153 1 78 . 1 1 7 7 TYR CD1 C 13 132.714 . . . . . . A 7 TYR CD1 . 25153 1 79 . 1 1 7 7 TYR CE1 C 13 117.684 . . . . . . A 7 TYR CE1 . 25153 1 80 . 1 1 7 7 TYR N N 15 117.289 . . . . . . A 7 TYR N . 25153 1 81 . 1 1 8 8 GLY H H 1 7.031 . . . . . . A 8 GLY H . 25153 1 82 . 1 1 8 8 GLY HA2 H 1 4.559 . . . . . . A 8 GLY HA2 . 25153 1 83 . 1 1 8 8 GLY HA3 H 1 3.560 . . . . . . A 8 GLY HA3 . 25153 1 84 . 1 1 8 8 GLY C C 13 172.000 . . . . . . A 8 GLY C . 25153 1 85 . 1 1 8 8 GLY CA C 13 43.944 . . . . . . A 8 GLY CA . 25153 1 86 . 1 1 8 8 GLY N N 15 107.420 . . . . . . A 8 GLY N . 25153 1 87 . 1 1 9 9 SER H H 1 9.604 . . . . . . A 9 SER H . 25153 1 88 . 1 1 9 9 SER HA H 1 5.200 . . . . . . A 9 SER HA . 25153 1 89 . 1 1 9 9 SER HB2 H 1 3.665 . . . . . . A 9 SER HB2 . 25153 1 90 . 1 1 9 9 SER HB3 H 1 3.845 . . . . . . A 9 SER HB3 . 25153 1 91 . 1 1 9 9 SER C C 13 175.000 . . . . . . A 9 SER C . 25153 1 92 . 1 1 9 9 SER CA C 13 57.570 . . . . . . A 9 SER CA . 25153 1 93 . 1 1 9 9 SER CB C 13 66.700 . . . . . . A 9 SER CB . 25153 1 94 . 1 1 9 9 SER N N 15 118.150 . . . . . . A 9 SER N . 25153 1 95 . 1 1 10 10 SER H H 1 11.636 . . . . . . A 10 SER H . 25153 1 96 . 1 1 10 10 SER HA H 1 4.775 . . . . . . A 10 SER HA . 25153 1 97 . 1 1 10 10 SER HB2 H 1 3.578 . . . . . . A 10 SER HB2 . 25153 1 98 . 1 1 10 10 SER HB3 H 1 3.456 . . . . . . A 10 SER HB3 . 25153 1 99 . 1 1 10 10 SER C C 13 175.730 . . . . . . A 10 SER C . 25153 1 100 . 1 1 10 10 SER CA C 13 61.750 . . . . . . A 10 SER CA . 25153 1 101 . 1 1 10 10 SER CB C 13 64.400 . . . . . . A 10 SER CB . 25153 1 102 . 1 1 10 10 SER N N 15 131.193 . . . . . . A 10 SER N . 25153 1 103 . 1 1 11 11 THR H H 1 9.550 . . . . . . A 11 THR H . 25153 1 104 . 1 1 11 11 THR HA H 1 4.770 . . . . . . A 11 THR HA . 25153 1 105 . 1 1 11 11 THR HB H 1 4.993 . . . . . . A 11 THR HB . 25153 1 106 . 1 1 11 11 THR HG21 H 1 1.387 . . . . . . A 11 THR HG21 . 25153 1 107 . 1 1 11 11 THR HG22 H 1 1.387 . . . . . . A 11 THR HG22 . 25153 1 108 . 1 1 11 11 THR HG23 H 1 1.387 . . . . . . A 11 THR HG23 . 25153 1 109 . 1 1 11 11 THR C C 13 173.700 . . . . . . A 11 THR C . 25153 1 110 . 1 1 11 11 THR CA C 13 60.700 . . . . . . A 11 THR CA . 25153 1 111 . 1 1 11 11 THR CB C 13 67.430 . . . . . . A 11 THR CB . 25153 1 112 . 1 1 11 11 THR CG2 C 13 23.800 . . . . . . A 11 THR CG2 . 25153 1 113 . 1 1 11 11 THR N N 15 115.848 . . . . . . A 11 THR N . 25153 1 114 . 1 1 12 12 CYS H H 1 7.437 . . . . . . A 12 CYS H . 25153 1 115 . 1 1 12 12 CYS HA H 1 4.070 . . . . . . A 12 CYS HA . 25153 1 116 . 1 1 12 12 CYS HB2 H 1 3.264 . . . . . . A 12 CYS HB2 . 25153 1 117 . 1 1 12 12 CYS HB3 H 1 3.180 . . . . . . A 12 CYS HB3 . 25153 1 118 . 1 1 12 12 CYS C C 13 176.220 . . . . . . A 12 CYS C . 25153 1 119 . 1 1 12 12 CYS CA C 13 63.600 . . . . . . A 12 CYS CA . 25153 1 120 . 1 1 12 12 CYS CB C 13 26.400 . . . . . . A 12 CYS CB . 25153 1 121 . 1 1 12 12 CYS N N 15 109.780 . . . . . . A 12 CYS N . 25153 1 122 . 1 1 13 13 TYR H H 1 10.886 . . . . . . A 13 TYR H . 25153 1 123 . 1 1 13 13 TYR HA H 1 4.103 . . . . . . A 13 TYR HA . 25153 1 124 . 1 1 13 13 TYR HB2 H 1 3.500 . . . . . . A 13 TYR HB2 . 25153 1 125 . 1 1 13 13 TYR HB3 H 1 2.793 . . . . . . A 13 TYR HB3 . 25153 1 126 . 1 1 13 13 TYR HD2 H 1 7.621 . . . . . . A 13 TYR HD2 . 25153 1 127 . 1 1 13 13 TYR HE2 H 1 6.990 . . . . . . A 13 TYR HE2 . 25153 1 128 . 1 1 13 13 TYR C C 13 180.880 . . . . . . A 13 TYR C . 25153 1 129 . 1 1 13 13 TYR CA C 13 65.100 . . . . . . A 13 TYR CA . 25153 1 130 . 1 1 13 13 TYR CB C 13 36.835 . . . . . . A 13 TYR CB . 25153 1 131 . 1 1 13 13 TYR CD2 C 13 133.932 . . . . . . A 13 TYR CD2 . 25153 1 132 . 1 1 13 13 TYR CE2 C 13 118.496 . . . . . . A 13 TYR CE2 . 25153 1 133 . 1 1 13 13 TYR N N 15 127.830 . . . . . . A 13 TYR N . 25153 1 134 . 1 1 14 14 THR H H 1 11.405 . . . . . . A 14 THR H . 25153 1 135 . 1 1 14 14 THR HA H 1 4.160 . . . . . . A 14 THR HA . 25153 1 136 . 1 1 14 14 THR HB H 1 3.855 . . . . . . A 14 THR HB . 25153 1 137 . 1 1 14 14 THR HG21 H 1 1.283 . . . . . . A 14 THR HG21 . 25153 1 138 . 1 1 14 14 THR HG22 H 1 1.283 . . . . . . A 14 THR HG22 . 25153 1 139 . 1 1 14 14 THR HG23 H 1 1.283 . . . . . . A 14 THR HG23 . 25153 1 140 . 1 1 14 14 THR C C 13 177.760 . . . . . . A 14 THR C . 25153 1 141 . 1 1 14 14 THR CA C 13 67.823 . . . . . . A 14 THR CA . 25153 1 142 . 1 1 14 14 THR CB C 13 68.040 . . . . . . A 14 THR CB . 25153 1 143 . 1 1 14 14 THR CG2 C 13 21.100 . . . . . . A 14 THR CG2 . 25153 1 144 . 1 1 14 14 THR N N 15 124.428 . . . . . . A 14 THR N . 25153 1 145 . 1 1 15 15 GLU H H 1 6.885 . . . . . . A 15 GLU HN . 25153 1 146 . 1 1 15 15 GLU HA H 1 2.890 . . . . . . A 15 GLU HA . 25153 1 147 . 1 1 15 15 GLU HB2 H 1 1.777 . . . . . . A 15 GLU HB2 . 25153 1 148 . 1 1 15 15 GLU HB3 H 1 2.215 . . . . . . A 15 GLU HB3 . 25153 1 149 . 1 1 15 15 GLU HG2 H 1 1.900 . . . . . . A 15 GLU HG2 . 25153 1 150 . 1 1 15 15 GLU C C 13 176.392 . . . . . . A 15 GLU C . 25153 1 151 . 1 1 15 15 GLU CA C 13 59.200 . . . . . . A 15 GLU CA . 25153 1 152 . 1 1 15 15 GLU CB C 13 30.450 . . . . . . A 15 GLU CB . 25153 1 153 . 1 1 15 15 GLU CG C 13 36.100 . . . . . . A 15 GLU CG . 25153 1 154 . 1 1 15 15 GLU N N 15 123.050 . . . . . . A 15 GLU N . 25153 1 155 . 1 1 16 16 MET H H 1 8.469 . . . . . . A 16 MET H . 25153 1 156 . 1 1 16 16 MET HA H 1 4.050 . . . . . . A 16 MET HA . 25153 1 157 . 1 1 16 16 MET HB2 H 1 2.016 . . . . . . A 16 MET HB2 . 25153 1 158 . 1 1 16 16 MET HB3 H 1 2.250 . . . . . . A 16 MET HB3 . 25153 1 159 . 1 1 16 16 MET HG2 H 1 2.507 . . . . . . A 16 MET HG2 . 25153 1 160 . 1 1 16 16 MET HG3 H 1 2.783 . . . . . . A 16 MET HG3 . 25153 1 161 . 1 1 16 16 MET HE1 H 1 1.923 . . . . . . A 16 MET HE1 . 25153 1 162 . 1 1 16 16 MET HE2 H 1 1.923 . . . . . . A 16 MET HE2 . 25153 1 163 . 1 1 16 16 MET HE3 H 1 1.923 . . . . . . A 16 MET HE3 . 25153 1 164 . 1 1 16 16 MET C C 13 179.940 . . . . . . A 16 MET C . 25153 1 165 . 1 1 16 16 MET CA C 13 59.240 . . . . . . A 16 MET CA . 25153 1 166 . 1 1 16 16 MET CB C 13 32.970 . . . . . . A 16 MET CB . 25153 1 167 . 1 1 16 16 MET CG C 13 32.460 . . . . . . A 16 MET CG . 25153 1 168 . 1 1 16 16 MET CE C 13 17.000 . . . . . . A 16 MET CE . 25153 1 169 . 1 1 16 16 MET N N 15 120.173 . . . . . . A 16 MET N . 25153 1 170 . 1 1 17 17 ALA H H 1 7.880 . . . . . . A 17 ALA H . 25153 1 171 . 1 1 17 17 ALA HA H 1 3.836 . . . . . . A 17 ALA HA . 25153 1 172 . 1 1 17 17 ALA HB1 H 1 1.245 . . . . . . A 17 ALA HB1 . 25153 1 173 . 1 1 17 17 ALA HB2 H 1 1.245 . . . . . . A 17 ALA HB2 . 25153 1 174 . 1 1 17 17 ALA HB3 H 1 1.245 . . . . . . A 17 ALA HB3 . 25153 1 175 . 1 1 17 17 ALA C C 13 177.900 . . . . . . A 17 ALA C . 25153 1 176 . 1 1 17 17 ALA CA C 13 55.200 . . . . . . A 17 ALA CA . 25153 1 177 . 1 1 17 17 ALA CB C 13 18.000 . . . . . . A 17 ALA CB . 25153 1 178 . 1 1 17 17 ALA N N 15 121.930 . . . . . . A 17 ALA N . 25153 1 179 . 1 1 18 18 ALA H H 1 7.374 . . . . . . A 18 ALA H . 25153 1 180 . 1 1 18 18 ALA HA H 1 3.737 . . . . . . A 18 ALA HA . 25153 1 181 . 1 1 18 18 ALA HB1 H 1 1.158 . . . . . . A 18 ALA HB1 . 25153 1 182 . 1 1 18 18 ALA HB2 H 1 1.158 . . . . . . A 18 ALA HB2 . 25153 1 183 . 1 1 18 18 ALA HB3 H 1 1.158 . . . . . . A 18 ALA HB3 . 25153 1 184 . 1 1 18 18 ALA C C 13 179.380 . . . . . . A 18 ALA C . 25153 1 185 . 1 1 18 18 ALA CA C 13 55.000 . . . . . . A 18 ALA CA . 25153 1 186 . 1 1 18 18 ALA CB C 13 18.830 . . . . . . A 18 ALA CB . 25153 1 187 . 1 1 18 18 ALA N N 15 121.477 . . . . . . A 18 ALA N . 25153 1 188 . 1 1 19 19 GLU H H 1 7.628 . . . . . . A 19 GLU HN . 25153 1 189 . 1 1 19 19 GLU HA H 1 3.616 . . . . . . A 19 GLU HA . 25153 1 190 . 1 1 19 19 GLU HB2 H 1 1.980 . . . . . . A 19 GLU HB2 . 25153 1 191 . 1 1 19 19 GLU HB3 H 1 2.070 . . . . . . A 19 GLU HB3 . 25153 1 192 . 1 1 19 19 GLU HG2 H 1 2.420 . . . . . . A 19 GLU HG2 . 25153 1 193 . 1 1 19 19 GLU HG3 H 1 1.953 . . . . . . A 19 GLU HG3 . 25153 1 194 . 1 1 19 19 GLU C C 13 178.479 . . . . . . A 19 GLU C . 25153 1 195 . 1 1 19 19 GLU CA C 13 59.730 . . . . . . A 19 GLU CA . 25153 1 196 . 1 1 19 19 GLU CB C 13 29.300 . . . . . . A 19 GLU CB . 25153 1 197 . 1 1 19 19 GLU CG C 13 36.400 . . . . . . A 19 GLU CG . 25153 1 198 . 1 1 19 19 GLU N N 15 116.650 . . . . . . A 19 GLU N . 25153 1 199 . 1 1 20 20 LYS H H 1 7.376 . . . . . . A 20 LYS HN . 25153 1 200 . 1 1 20 20 LYS HA H 1 4.050 . . . . . . A 20 LYS HA . 25153 1 201 . 1 1 20 20 LYS HB2 H 1 1.980 . . . . . . A 20 LYS HB2 . 25153 1 202 . 1 1 20 20 LYS HB3 H 1 1.777 . . . . . . A 20 LYS HB3 . 25153 1 203 . 1 1 20 20 LYS HG2 H 1 1.655 . . . . . . A 20 LYS HG2 . 25153 1 204 . 1 1 20 20 LYS HG3 H 1 1.396 . . . . . . A 20 LYS HG3 . 25153 1 205 . 1 1 20 20 LYS HD2 H 1 1.680 . . . . . . A 20 LYS HD2 . 25153 1 206 . 1 1 20 20 LYS HD3 H 1 1.465 . . . . . . A 20 LYS HD3 . 25153 1 207 . 1 1 20 20 LYS HE2 H 1 2.840 . . . . . . A 20 LYS HE2 . 25153 1 208 . 1 1 20 20 LYS HE3 H 1 2.890 . . . . . . A 20 LYS HE3 . 25153 1 209 . 1 1 20 20 LYS C C 13 179.116 . . . . . . A 20 LYS C . 25153 1 210 . 1 1 20 20 LYS CA C 13 59.830 . . . . . . A 20 LYS CA . 25153 1 211 . 1 1 20 20 LYS CB C 13 32.850 . . . . . . A 20 LYS CB . 25153 1 212 . 1 1 20 20 LYS CG C 13 26.100 . . . . . . A 20 LYS CG . 25153 1 213 . 1 1 20 20 LYS CD C 13 29.640 . . . . . . A 20 LYS CD . 25153 1 214 . 1 1 20 20 LYS CE C 13 42.250 . . . . . . A 20 LYS CE . 25153 1 215 . 1 1 20 20 LYS N N 15 119.470 . . . . . . A 20 LYS N . 25153 1 216 . 1 1 21 21 ILE H H 1 8.100 . . . . . . A 21 ILE H . 25153 1 217 . 1 1 21 21 ILE HA H 1 3.390 . . . . . . A 21 ILE HA . 25153 1 218 . 1 1 21 21 ILE HB H 1 1.637 . . . . . . A 21 ILE HB . 25153 1 219 . 1 1 21 21 ILE HG12 H 1 1.505 . . . . . . A 21 ILE HG12 . 25153 1 220 . 1 1 21 21 ILE HG13 H 1 0.530 . . . . . . A 21 ILE HG13 . 25153 1 221 . 1 1 21 21 ILE HG21 H 1 0.870 . . . . . . A 21 ILE HG21 . 25153 1 222 . 1 1 21 21 ILE HG22 H 1 0.870 . . . . . . A 21 ILE HG22 . 25153 1 223 . 1 1 21 21 ILE HG23 H 1 0.870 . . . . . . A 21 ILE HG23 . 25153 1 224 . 1 1 21 21 ILE HD11 H 1 -0.006 . . . . . . A 21 ILE HD11 . 25153 1 225 . 1 1 21 21 ILE HD12 H 1 -0.006 . . . . . . A 21 ILE HD12 . 25153 1 226 . 1 1 21 21 ILE HD13 H 1 -0.006 . . . . . . A 21 ILE HD13 . 25153 1 227 . 1 1 21 21 ILE C C 13 177.580 . . . . . . A 21 ILE C . 25153 1 228 . 1 1 21 21 ILE CA C 13 65.820 . . . . . . A 21 ILE CA . 25153 1 229 . 1 1 21 21 ILE CB C 13 38.348 . . . . . . A 21 ILE CB . 25153 1 230 . 1 1 21 21 ILE CG1 C 13 31.186 . . . . . . A 21 ILE CG1 . 25153 1 231 . 1 1 21 21 ILE CG2 C 13 17.800 . . . . . . A 21 ILE CG2 . 25153 1 232 . 1 1 21 21 ILE CD1 C 13 13.560 . . . . . . A 21 ILE CD1 . 25153 1 233 . 1 1 21 21 ILE N N 15 121.030 . . . . . . A 21 ILE N . 25153 1 234 . 1 1 22 22 ARG H H 1 8.187 . . . . . . A 22 ARG HN . 25153 1 235 . 1 1 22 22 ARG HA H 1 3.555 . . . . . . A 22 ARG HA . 25153 1 236 . 1 1 22 22 ARG HB2 H 1 2.132 . . . . . . A 22 ARG HB2 . 25153 1 237 . 1 1 22 22 ARG HB3 H 1 1.558 . . . . . . A 22 ARG HB3 . 25153 1 238 . 1 1 22 22 ARG HG2 H 1 1.725 . . . . . . A 22 ARG HG2 . 25153 1 239 . 1 1 22 22 ARG HG3 H 1 1.380 . . . . . . A 22 ARG HG3 . 25153 1 240 . 1 1 22 22 ARG HD2 H 1 3.136 . . . . . . A 22 ARG HD2 . 25153 1 241 . 1 1 22 22 ARG HD3 H 1 3.176 . . . . . . A 22 ARG HD3 . 25153 1 242 . 1 1 22 22 ARG HE H 1 7.158 . . . . . . A 22 ARG HE . 25153 1 243 . 1 1 22 22 ARG C C 13 177.320 . . . . . . A 22 ARG C . 25153 1 244 . 1 1 22 22 ARG CA C 13 59.720 . . . . . . A 22 ARG CA . 25153 1 245 . 1 1 22 22 ARG CB C 13 28.932 . . . . . . A 22 ARG CB . 25153 1 246 . 1 1 22 22 ARG CG C 13 26.570 . . . . . . A 22 ARG CG . 25153 1 247 . 1 1 22 22 ARG CD C 13 43.600 . . . . . . A 22 ARG CD . 25153 1 248 . 1 1 22 22 ARG N N 15 119.720 . . . . . . A 22 ARG N . 25153 1 249 . 1 1 22 22 ARG NE N 15 116.650 . . . . . . A 22 ARG NE . 25153 1 250 . 1 1 23 23 ASP H H 1 7.950 . . . . . . A 23 ASP HN . 25153 1 251 . 1 1 23 23 ASP HA H 1 4.363 . . . . . . A 23 ASP HA . 25153 1 252 . 1 1 23 23 ASP HB2 H 1 2.795 . . . . . . A 23 ASP HB2 . 25153 1 253 . 1 1 23 23 ASP HB3 H 1 2.647 . . . . . . A 23 ASP HB3 . 25153 1 254 . 1 1 23 23 ASP C C 13 178.330 . . . . . . A 23 ASP C . 25153 1 255 . 1 1 23 23 ASP CA C 13 56.950 . . . . . . A 23 ASP CA . 25153 1 256 . 1 1 23 23 ASP CB C 13 40.240 . . . . . . A 23 ASP CB . 25153 1 257 . 1 1 23 23 ASP N N 15 118.730 . . . . . . A 23 ASP N . 25153 1 258 . 1 1 24 24 ILE H H 1 7.910 . . . . . . A 24 ILE H . 25153 1 259 . 1 1 24 24 ILE HA H 1 3.796 . . . . . . A 24 ILE HA . 25153 1 260 . 1 1 24 24 ILE HB H 1 1.995 . . . . . . A 24 ILE HB . 25153 1 261 . 1 1 24 24 ILE HG12 H 1 1.197 . . . . . . A 24 ILE HG12 . 25153 1 262 . 1 1 24 24 ILE HG13 H 1 1.688 . . . . . . A 24 ILE HG13 . 25153 1 263 . 1 1 24 24 ILE HG21 H 1 0.882 . . . . . . A 24 ILE HG21 . 25153 1 264 . 1 1 24 24 ILE HG22 H 1 0.882 . . . . . . A 24 ILE HG22 . 25153 1 265 . 1 1 24 24 ILE HG23 H 1 0.882 . . . . . . A 24 ILE HG23 . 25153 1 266 . 1 1 24 24 ILE HD11 H 1 0.805 . . . . . . A 24 ILE HD11 . 25153 1 267 . 1 1 24 24 ILE HD12 H 1 0.805 . . . . . . A 24 ILE HD12 . 25153 1 268 . 1 1 24 24 ILE HD13 H 1 0.805 . . . . . . A 24 ILE HD13 . 25153 1 269 . 1 1 24 24 ILE C C 13 178.250 . . . . . . A 24 ILE C . 25153 1 270 . 1 1 24 24 ILE CA C 13 64.150 . . . . . . A 24 ILE CA . 25153 1 271 . 1 1 24 24 ILE CB C 13 38.480 . . . . . . A 24 ILE CB . 25153 1 272 . 1 1 24 24 ILE CG1 C 13 29.300 . . . . . . A 24 ILE CG1 . 25153 1 273 . 1 1 24 24 ILE CG2 C 13 18.800 . . . . . . A 24 ILE CG2 . 25153 1 274 . 1 1 24 24 ILE CD1 C 13 14.180 . . . . . . A 24 ILE CD1 . 25153 1 275 . 1 1 24 24 ILE N N 15 121.090 . . . . . . A 24 ILE N . 25153 1 276 . 1 1 25 25 ILE H H 1 8.476 . . . . . . A 25 ILE H . 25153 1 277 . 1 1 25 25 ILE HA H 1 3.646 . . . . . . A 25 ILE HA . 25153 1 278 . 1 1 25 25 ILE HB H 1 1.685 . . . . . . A 25 ILE HB . 25153 1 279 . 1 1 25 25 ILE HG12 H 1 1.926 . . . . . . A 25 ILE HG12 . 25153 1 280 . 1 1 25 25 ILE HG13 H 1 0.870 . . . . . . A 25 ILE HG13 . 25153 1 281 . 1 1 25 25 ILE HG21 H 1 0.920 . . . . . . A 25 ILE HG21 . 25153 1 282 . 1 1 25 25 ILE HG22 H 1 0.920 . . . . . . A 25 ILE HG22 . 25153 1 283 . 1 1 25 25 ILE HG23 H 1 0.920 . . . . . . A 25 ILE HG23 . 25153 1 284 . 1 1 25 25 ILE HD11 H 1 0.680 . . . . . . A 25 ILE HD11 . 25153 1 285 . 1 1 25 25 ILE HD12 H 1 0.680 . . . . . . A 25 ILE HD12 . 25153 1 286 . 1 1 25 25 ILE HD13 H 1 0.680 . . . . . . A 25 ILE HD13 . 25153 1 287 . 1 1 25 25 ILE C C 13 176.800 . . . . . . A 25 ILE C . 25153 1 288 . 1 1 25 25 ILE CA C 13 65.700 . . . . . . A 25 ILE CA . 25153 1 289 . 1 1 25 25 ILE CB C 13 38.190 . . . . . . A 25 ILE CB . 25153 1 290 . 1 1 25 25 ILE CG1 C 13 29.250 . . . . . . A 25 ILE CG1 . 25153 1 291 . 1 1 25 25 ILE CG2 C 13 17.860 . . . . . . A 25 ILE CG2 . 25153 1 292 . 1 1 25 25 ILE CD1 C 13 13.390 . . . . . . A 25 ILE CD1 . 25153 1 293 . 1 1 25 25 ILE N N 15 121.406 . . . . . . A 25 ILE N . 25153 1 294 . 1 1 26 26 GLY H H 1 8.016 . . . . . . A 26 GLY H . 25153 1 295 . 1 1 26 26 GLY HA2 H 1 4.420 . . . . . . A 26 GLY HA2 . 25153 1 296 . 1 1 26 26 GLY HA3 H 1 3.967 . . . . . . A 26 GLY HA3 . 25153 1 297 . 1 1 26 26 GLY C C 13 173.710 . . . . . . A 26 GLY C . 25153 1 298 . 1 1 26 26 GLY CA C 13 44.330 . . . . . . A 26 GLY CA . 25153 1 299 . 1 1 26 26 GLY N N 15 108.900 . . . . . . A 26 GLY N . 25153 1 300 . 1 1 27 27 PRO HA H 1 4.338 . . . . . . A 27 PRO HA . 25153 1 301 . 1 1 27 27 PRO HB2 H 1 2.246 . . . . . . A 27 PRO HB2 . 25153 1 302 . 1 1 27 27 PRO HB3 H 1 2.060 . . . . . . A 27 PRO HB3 . 25153 1 303 . 1 1 27 27 PRO HG2 H 1 2.125 . . . . . . A 27 PRO HG2 . 25153 1 304 . 1 1 27 27 PRO HG3 H 1 2.050 . . . . . . A 27 PRO HG3 . 25153 1 305 . 1 1 27 27 PRO HD2 H 1 3.982 . . . . . . A 27 PRO HD2 . 25153 1 306 . 1 1 27 27 PRO HD3 H 1 3.946 . . . . . . A 27 PRO HD3 . 25153 1 307 . 1 1 27 27 PRO C C 13 177.200 . . . . . . A 27 PRO C . 25153 1 308 . 1 1 27 27 PRO CA C 13 64.686 . . . . . . A 27 PRO CA . 25153 1 309 . 1 1 27 27 PRO CB C 13 32.200 . . . . . . A 27 PRO CB . 25153 1 310 . 1 1 27 27 PRO CG C 13 27.820 . . . . . . A 27 PRO CG . 25153 1 311 . 1 1 27 27 PRO CD C 13 52.000 . . . . . . A 27 PRO CD . 25153 1 312 . 1 1 28 28 GLU H H 1 9.204 . . . . . . A 28 GLU HN . 25153 1 313 . 1 1 28 28 GLU HA H 1 4.270 . . . . . . A 28 GLU HA . 25153 1 314 . 1 1 28 28 GLU HB2 H 1 2.012 . . . . . . A 28 GLU HB2 . 25153 1 315 . 1 1 28 28 GLU HB3 H 1 2.113 . . . . . . A 28 GLU HB3 . 25153 1 316 . 1 1 28 28 GLU HG2 H 1 2.370 . . . . . . A 28 GLU HG2 . 25153 1 317 . 1 1 28 28 GLU HG3 H 1 2.300 . . . . . . A 28 GLU HG3 . 25153 1 318 . 1 1 28 28 GLU C C 13 176.980 . . . . . . A 28 GLU C . 25153 1 319 . 1 1 28 28 GLU CA C 13 57.740 . . . . . . A 28 GLU CA . 25153 1 320 . 1 1 28 28 GLU CB C 13 28.670 . . . . . . A 28 GLU CB . 25153 1 321 . 1 1 28 28 GLU CG C 13 36.530 . . . . . . A 28 GLU CG . 25153 1 322 . 1 1 28 28 GLU N N 15 116.295 . . . . . . A 28 GLU N . 25153 1 323 . 1 1 29 29 LEU H H 1 7.940 . . . . . . A 29 LEU H . 25153 1 324 . 1 1 29 29 LEU HA H 1 4.636 . . . . . . A 29 LEU HA . 25153 1 325 . 1 1 29 29 LEU HB2 H 1 1.860 . . . . . . A 29 LEU HB2 . 25153 1 326 . 1 1 29 29 LEU HB3 H 1 1.592 . . . . . . A 29 LEU HB3 . 25153 1 327 . 1 1 29 29 LEU HG H 1 1.612 . . . . . . A 29 LEU HG . 25153 1 328 . 1 1 29 29 LEU HD11 H 1 0.950 . . . . . . A 29 LEU HD11 . 25153 1 329 . 1 1 29 29 LEU HD12 H 1 0.950 . . . . . . A 29 LEU HD12 . 25153 1 330 . 1 1 29 29 LEU HD13 H 1 0.950 . . . . . . A 29 LEU HD13 . 25153 1 331 . 1 1 29 29 LEU HD21 H 1 0.925 . . . . . . A 29 LEU HD21 . 25153 1 332 . 1 1 29 29 LEU HD22 H 1 0.925 . . . . . . A 29 LEU HD22 . 25153 1 333 . 1 1 29 29 LEU HD23 H 1 0.925 . . . . . . A 29 LEU HD23 . 25153 1 334 . 1 1 29 29 LEU C C 13 175.770 . . . . . . A 29 LEU C . 25153 1 335 . 1 1 29 29 LEU CA C 13 55.800 . . . . . . A 29 LEU CA . 25153 1 336 . 1 1 29 29 LEU CB C 13 45.100 . . . . . . A 29 LEU CB . 25153 1 337 . 1 1 29 29 LEU CG C 13 27.650 . . . . . . A 29 LEU CG . 25153 1 338 . 1 1 29 29 LEU CD1 C 13 25.500 . . . . . . A 29 LEU CD1 . 25153 1 339 . 1 1 29 29 LEU CD2 C 13 23.360 . . . . . . A 29 LEU CD2 . 25153 1 340 . 1 1 29 29 LEU N N 15 120.250 . . . . . . A 29 LEU N . 25153 1 341 . 1 1 30 30 VAL H H 1 7.434 . . . . . . A 30 VAL H . 25153 1 342 . 1 1 30 30 VAL HA H 1 4.648 . . . . . . A 30 VAL HA . 25153 1 343 . 1 1 30 30 VAL HB H 1 1.840 . . . . . . A 30 VAL HB . 25153 1 344 . 1 1 30 30 VAL HG11 H 1 0.656 . . . . . . A 30 VAL HG11 . 25153 1 345 . 1 1 30 30 VAL HG12 H 1 0.656 . . . . . . A 30 VAL HG12 . 25153 1 346 . 1 1 30 30 VAL HG13 H 1 0.656 . . . . . . A 30 VAL HG13 . 25153 1 347 . 1 1 30 30 VAL HG21 H 1 0.895 . . . . . . A 30 VAL HG21 . 25153 1 348 . 1 1 30 30 VAL HG22 H 1 0.895 . . . . . . A 30 VAL HG22 . 25153 1 349 . 1 1 30 30 VAL HG23 H 1 0.895 . . . . . . A 30 VAL HG23 . 25153 1 350 . 1 1 30 30 VAL C C 13 174.347 . . . . . . A 30 VAL C . 25153 1 351 . 1 1 30 30 VAL CA C 13 60.868 . . . . . . A 30 VAL CA . 25153 1 352 . 1 1 30 30 VAL CB C 13 34.580 . . . . . . A 30 VAL CB . 25153 1 353 . 1 1 30 30 VAL CG1 C 13 22.730 . . . . . . A 30 VAL CG1 . 25153 1 354 . 1 1 30 30 VAL CG2 C 13 22.410 . . . . . . A 30 VAL CG2 . 25153 1 355 . 1 1 30 30 VAL N N 15 118.693 . . . . . . A 30 VAL N . 25153 1 356 . 1 1 31 31 THR H H 1 7.844 . . . . . . A 31 THR H . 25153 1 357 . 1 1 31 31 THR HA H 1 4.362 . . . . . . A 31 THR HA . 25153 1 358 . 1 1 31 31 THR HB H 1 3.934 . . . . . . A 31 THR HB . 25153 1 359 . 1 1 31 31 THR HG21 H 1 0.893 . . . . . . A 31 THR HG21 . 25153 1 360 . 1 1 31 31 THR HG22 H 1 0.893 . . . . . . A 31 THR HG22 . 25153 1 361 . 1 1 31 31 THR HG23 H 1 0.893 . . . . . . A 31 THR HG23 . 25153 1 362 . 1 1 31 31 THR C C 13 172.964 . . . . . . A 31 THR C . 25153 1 363 . 1 1 31 31 THR CA C 13 61.720 . . . . . . A 31 THR CA . 25153 1 364 . 1 1 31 31 THR CB C 13 70.485 . . . . . . A 31 THR CB . 25153 1 365 . 1 1 31 31 THR CG2 C 13 22.000 . . . . . . A 31 THR CG2 . 25153 1 366 . 1 1 31 31 THR N N 15 123.800 . . . . . . A 31 THR N . 25153 1 367 . 1 1 32 32 LEU H H 1 8.660 . . . . . . A 32 LEU H . 25153 1 368 . 1 1 32 32 LEU HA H 1 4.684 . . . . . . A 32 LEU HA . 25153 1 369 . 1 1 32 32 LEU HB2 H 1 1.720 . . . . . . A 32 LEU HB2 . 25153 1 370 . 1 1 32 32 LEU HB3 H 1 1.563 . . . . . . A 32 LEU HB3 . 25153 1 371 . 1 1 32 32 LEU HG H 1 1.680 . . . . . . A 32 LEU HG . 25153 1 372 . 1 1 32 32 LEU HD11 H 1 0.780 . . . . . . A 32 LEU HD11 . 25153 1 373 . 1 1 32 32 LEU HD12 H 1 0.780 . . . . . . A 32 LEU HD12 . 25153 1 374 . 1 1 32 32 LEU HD13 H 1 0.780 . . . . . . A 32 LEU HD13 . 25153 1 375 . 1 1 32 32 LEU C C 13 176.600 . . . . . . A 32 LEU C . 25153 1 376 . 1 1 32 32 LEU CA C 13 55.155 . . . . . . A 32 LEU CA . 25153 1 377 . 1 1 32 32 LEU CB C 13 43.850 . . . . . . A 32 LEU CB . 25153 1 378 . 1 1 32 32 LEU CG C 13 29.420 . . . . . . A 32 LEU CG . 25153 1 379 . 1 1 32 32 LEU CD1 C 13 25.750 . . . . . . A 32 LEU CD1 . 25153 1 380 . 1 1 32 32 LEU N N 15 127.800 . . . . . . A 32 LEU N . 25153 1 381 . 1 1 33 33 HIS H H 1 9.060 . . . . . . A 33 HIS H . 25153 1 382 . 1 1 33 33 HIS HA H 1 4.400 . . . . . . A 33 HIS HA . 25153 1 383 . 1 1 33 33 HIS HB2 H 1 2.050 . . . . . . A 33 HIS HB2 . 25153 1 384 . 1 1 33 33 HIS HB3 H 1 1.435 . . . . . . A 33 HIS HB3 . 25153 1 385 . 1 1 33 33 HIS HD2 H 1 5.480 . . . . . . A 33 HIS HD2 . 25153 1 386 . 1 1 33 33 HIS HE1 H 1 6.570 . . . . . . A 33 HIS HE1 . 25153 1 387 . 1 1 33 33 HIS C C 13 171.667 . . . . . . A 33 HIS C . 25153 1 388 . 1 1 33 33 HIS CA C 13 55.200 . . . . . . A 33 HIS CA . 25153 1 389 . 1 1 33 33 HIS CB C 13 32.200 . . . . . . A 33 HIS CB . 25153 1 390 . 1 1 33 33 HIS CD2 C 13 125.400 . . . . . . A 33 HIS CD2 . 25153 1 391 . 1 1 33 33 HIS N N 15 119.670 . . . . . . A 33 HIS N . 25153 1 392 . 1 1 34 34 ASN H H 1 8.780 . . . . . . A 34 ASN H . 25153 1 393 . 1 1 34 34 ASN HA H 1 3.434 . . . . . . A 34 ASN HA . 25153 1 394 . 1 1 34 34 ASN HB2 H 1 3.060 . . . . . . A 34 ASN HB2 . 25153 1 395 . 1 1 34 34 ASN HB3 H 1 2.512 . . . . . . A 34 ASN HB3 . 25153 1 396 . 1 1 34 34 ASN HD21 H 1 7.433 . . . . . . A 34 ASN HD21 . 25153 1 397 . 1 1 34 34 ASN HD22 H 1 7.683 . . . . . . A 34 ASN HD22 . 25153 1 398 . 1 1 34 34 ASN C C 13 178.000 . . . . . . A 34 ASN C . 25153 1 399 . 1 1 34 34 ASN CA C 13 51.429 . . . . . . A 34 ASN CA . 25153 1 400 . 1 1 34 34 ASN CB C 13 38.560 . . . . . . A 34 ASN CB . 25153 1 401 . 1 1 34 34 ASN N N 15 124.068 . . . . . . A 34 ASN N . 25153 1 402 . 1 1 34 34 ASN ND2 N 15 113.340 . . . . . . A 34 ASN ND2 . 25153 1 403 . 1 1 35 35 LEU H H 1 8.821 . . . . . . A 35 LEU H . 25153 1 404 . 1 1 35 35 LEU HA H 1 4.315 . . . . . . A 35 LEU HA . 25153 1 405 . 1 1 35 35 LEU HB2 H 1 1.008 . . . . . . A 35 LEU HB2 . 25153 1 406 . 1 1 35 35 LEU HB3 H 1 0.887 . . . . . . A 35 LEU HB3 . 25153 1 407 . 1 1 35 35 LEU HG H 1 1.124 . . . . . . A 35 LEU HG . 25153 1 408 . 1 1 35 35 LEU HD11 H 1 0.575 . . . . . . A 35 LEU HD11 . 25153 1 409 . 1 1 35 35 LEU HD12 H 1 0.575 . . . . . . A 35 LEU HD12 . 25153 1 410 . 1 1 35 35 LEU HD13 H 1 0.575 . . . . . . A 35 LEU HD13 . 25153 1 411 . 1 1 35 35 LEU HD21 H 1 -0.977 . . . . . . A 35 LEU HD21 . 25153 1 412 . 1 1 35 35 LEU HD22 H 1 -0.977 . . . . . . A 35 LEU HD22 . 25153 1 413 . 1 1 35 35 LEU HD23 H 1 -0.977 . . . . . . A 35 LEU HD23 . 25153 1 414 . 1 1 35 35 LEU C C 13 177.700 . . . . . . A 35 LEU C . 25153 1 415 . 1 1 35 35 LEU CA C 13 56.480 . . . . . . A 35 LEU CA . 25153 1 416 . 1 1 35 35 LEU CB C 13 42.300 . . . . . . A 35 LEU CB . 25153 1 417 . 1 1 35 35 LEU CG C 13 26.950 . . . . . . A 35 LEU CG . 25153 1 418 . 1 1 35 35 LEU CD1 C 13 23.050 . . . . . . A 35 LEU CD1 . 25153 1 419 . 1 1 35 35 LEU CD2 C 13 23.175 . . . . . . A 35 LEU CD2 . 25153 1 420 . 1 1 35 35 LEU N N 15 129.040 . . . . . . A 35 LEU N . 25153 1 421 . 1 1 36 36 LYS H H 1 8.480 . . . . . . A 36 LYS HN . 25153 1 422 . 1 1 36 36 LYS HA H 1 3.880 . . . . . . A 36 LYS HA . 25153 1 423 . 1 1 36 36 LYS HB2 H 1 1.310 . . . . . . A 36 LYS HB2 . 25153 1 424 . 1 1 36 36 LYS HB3 H 1 1.492 . . . . . . A 36 LYS HB3 . 25153 1 425 . 1 1 36 36 LYS HG2 H 1 1.336 . . . . . . A 36 LYS HG2 . 25153 1 426 . 1 1 36 36 LYS HG3 H 1 1.300 . . . . . . A 36 LYS HG3 . 25153 1 427 . 1 1 36 36 LYS HD2 H 1 1.682 . . . . . . A 36 LYS HD2 . 25153 1 428 . 1 1 36 36 LYS HE2 H 1 3.033 . . . . . . A 36 LYS HE2 . 25153 1 429 . 1 1 36 36 LYS HE3 H 1 2.985 . . . . . . A 36 LYS HE3 . 25153 1 430 . 1 1 36 36 LYS C C 13 176.230 . . . . . . A 36 LYS C . 25153 1 431 . 1 1 36 36 LYS CA C 13 59.420 . . . . . . A 36 LYS CA . 25153 1 432 . 1 1 36 36 LYS CB C 13 33.270 . . . . . . A 36 LYS CB . 25153 1 433 . 1 1 36 36 LYS CG C 13 24.450 . . . . . . A 36 LYS CG . 25153 1 434 . 1 1 36 36 LYS CD C 13 29.300 . . . . . . A 36 LYS CD . 25153 1 435 . 1 1 36 36 LYS CE C 13 41.780 . . . . . . A 36 LYS CE . 25153 1 436 . 1 1 36 36 LYS N N 15 121.043 . . . . . . A 36 LYS N . 25153 1 437 . 1 1 37 37 ASP H H 1 7.228 . . . . . . A 37 ASP HN . 25153 1 438 . 1 1 37 37 ASP HA H 1 4.777 . . . . . . A 37 ASP HA . 25153 1 439 . 1 1 37 37 ASP HB2 H 1 2.700 . . . . . . A 37 ASP HB2 . 25153 1 440 . 1 1 37 37 ASP HB3 H 1 2.362 . . . . . . A 37 ASP HB3 . 25153 1 441 . 1 1 37 37 ASP C C 13 175.440 . . . . . . A 37 ASP C . 25153 1 442 . 1 1 37 37 ASP CA C 13 54.711 . . . . . . A 37 ASP CA . 25153 1 443 . 1 1 37 37 ASP CB C 13 44.700 . . . . . . A 37 ASP CB . 25153 1 444 . 1 1 37 37 ASP N N 15 114.965 . . . . . . A 37 ASP N . 25153 1 445 . 1 1 38 38 ASP H H 1 8.184 . . . . . . A 38 ASP HN . 25153 1 446 . 1 1 38 38 ASP HA H 1 4.870 . . . . . . A 38 ASP HA . 25153 1 447 . 1 1 38 38 ASP HB2 H 1 2.390 . . . . . . A 38 ASP HB2 . 25153 1 448 . 1 1 38 38 ASP HB3 H 1 2.215 . . . . . . A 38 ASP HB3 . 25153 1 449 . 1 1 38 38 ASP C C 13 174.852 . . . . . . A 38 ASP C . 25153 1 450 . 1 1 38 38 ASP CA C 13 53.080 . . . . . . A 38 ASP CA . 25153 1 451 . 1 1 38 38 ASP CB C 13 42.110 . . . . . . A 38 ASP CB . 25153 1 452 . 1 1 38 38 ASP N N 15 121.650 . . . . . . A 38 ASP N . 25153 1 453 . 1 1 39 39 SER H H 1 8.351 . . . . . . A 39 SER H . 25153 1 454 . 1 1 39 39 SER HA H 1 4.585 . . . . . . A 39 SER HA . 25153 1 455 . 1 1 39 39 SER HB2 H 1 4.145 . . . . . . A 39 SER HB2 . 25153 1 456 . 1 1 39 39 SER HB3 H 1 3.670 . . . . . . A 39 SER HB3 . 25153 1 457 . 1 1 39 39 SER C C 13 175.040 . . . . . . A 39 SER C . 25153 1 458 . 1 1 39 39 SER CA C 13 54.960 . . . . . . A 39 SER CA . 25153 1 459 . 1 1 39 39 SER CB C 13 64.720 . . . . . . A 39 SER CB . 25153 1 460 . 1 1 39 39 SER N N 15 115.207 . . . . . . A 39 SER N . 25153 1 461 . 1 1 40 40 PRO HA H 1 4.005 . . . . . . A 40 PRO HA . 25153 1 462 . 1 1 40 40 PRO HB2 H 1 1.852 . . . . . . A 40 PRO HB2 . 25153 1 463 . 1 1 40 40 PRO HB3 H 1 1.787 . . . . . . A 40 PRO HB3 . 25153 1 464 . 1 1 40 40 PRO HG2 H 1 1.786 . . . . . . A 40 PRO HG2 . 25153 1 465 . 1 1 40 40 PRO HG3 H 1 1.893 . . . . . . A 40 PRO HG3 . 25153 1 466 . 1 1 40 40 PRO HD2 H 1 4.107 . . . . . . A 40 PRO HD2 . 25153 1 467 . 1 1 40 40 PRO HD3 H 1 3.766 . . . . . . A 40 PRO HD3 . 25153 1 468 . 1 1 40 40 PRO C C 13 176.730 . . . . . . A 40 PRO C . 25153 1 469 . 1 1 40 40 PRO CA C 13 63.900 . . . . . . A 40 PRO CA . 25153 1 470 . 1 1 40 40 PRO CB C 13 31.400 . . . . . . A 40 PRO CB . 25153 1 471 . 1 1 40 40 PRO CG C 13 27.200 . . . . . . A 40 PRO CG . 25153 1 472 . 1 1 40 40 PRO CD C 13 50.460 . . . . . . A 40 PRO CD . 25153 1 473 . 1 1 41 41 LYS H H 1 8.255 . . . . . . A 41 LYS HN . 25153 1 474 . 1 1 41 41 LYS HA H 1 3.912 . . . . . . A 41 LYS HA . 25153 1 475 . 1 1 41 41 LYS HB2 H 1 1.756 . . . . . . A 41 LYS HB2 . 25153 1 476 . 1 1 41 41 LYS HG2 H 1 1.393 . . . . . . A 41 LYS HG2 . 25153 1 477 . 1 1 41 41 LYS HD2 H 1 1.513 . . . . . . A 41 LYS HD2 . 25153 1 478 . 1 1 41 41 LYS HD3 H 1 1.640 . . . . . . A 41 LYS HD3 . 25153 1 479 . 1 1 41 41 LYS HE2 H 1 2.915 . . . . . . A 41 LYS HE2 . 25153 1 480 . 1 1 41 41 LYS C C 13 179.600 . . . . . . A 41 LYS C . 25153 1 481 . 1 1 41 41 LYS CA C 13 58.200 . . . . . . A 41 LYS CA . 25153 1 482 . 1 1 41 41 LYS CB C 13 32.000 . . . . . . A 41 LYS CB . 25153 1 483 . 1 1 41 41 LYS CG C 13 24.850 . . . . . . A 41 LYS CG . 25153 1 484 . 1 1 41 41 LYS CD C 13 28.824 . . . . . . A 41 LYS CD . 25153 1 485 . 1 1 41 41 LYS CE C 13 42.250 . . . . . . A 41 LYS CE . 25153 1 486 . 1 1 41 41 LYS N N 15 121.150 . . . . . . A 41 LYS N . 25153 1 487 . 1 1 42 42 LEU H H 1 7.600 . . . . . . A 42 LEU H . 25153 1 488 . 1 1 42 42 LEU HA H 1 4.037 . . . . . . A 42 LEU HA . 25153 1 489 . 1 1 42 42 LEU HB2 H 1 1.887 . . . . . . A 42 LEU HB2 . 25153 1 490 . 1 1 42 42 LEU HB3 H 1 1.430 . . . . . . A 42 LEU HB3 . 25153 1 491 . 1 1 42 42 LEU HG H 1 1.793 . . . . . . A 42 LEU HG . 25153 1 492 . 1 1 42 42 LEU HD11 H 1 0.832 . . . . . . A 42 LEU HD11 . 25153 1 493 . 1 1 42 42 LEU HD12 H 1 0.832 . . . . . . A 42 LEU HD12 . 25153 1 494 . 1 1 42 42 LEU HD13 H 1 0.832 . . . . . . A 42 LEU HD13 . 25153 1 495 . 1 1 42 42 LEU HD21 H 1 0.828 . . . . . . A 42 LEU HD21 . 25153 1 496 . 1 1 42 42 LEU HD22 H 1 0.828 . . . . . . A 42 LEU HD22 . 25153 1 497 . 1 1 42 42 LEU HD23 H 1 0.828 . . . . . . A 42 LEU HD23 . 25153 1 498 . 1 1 42 42 LEU C C 13 178.760 . . . . . . A 42 LEU C . 25153 1 499 . 1 1 42 42 LEU CA C 13 57.180 . . . . . . A 42 LEU CA . 25153 1 500 . 1 1 42 42 LEU CB C 13 41.973 . . . . . . A 42 LEU CB . 25153 1 501 . 1 1 42 42 LEU CG C 13 27.460 . . . . . . A 42 LEU CG . 25153 1 502 . 1 1 42 42 LEU CD1 C 13 25.700 . . . . . . A 42 LEU CD1 . 25153 1 503 . 1 1 42 42 LEU CD2 C 13 22.300 . . . . . . A 42 LEU CD2 . 25153 1 504 . 1 1 42 42 LEU N N 15 118.103 . . . . . . A 42 LEU N . 25153 1 505 . 1 1 43 43 MET H H 1 8.202 . . . . . . A 43 MET H . 25153 1 506 . 1 1 43 43 MET HA H 1 3.750 . . . . . . A 43 MET HA . 25153 1 507 . 1 1 43 43 MET HB2 H 1 1.674 . . . . . . A 43 MET HB2 . 25153 1 508 . 1 1 43 43 MET HB3 H 1 0.787 . . . . . . A 43 MET HB3 . 25153 1 509 . 1 1 43 43 MET HE1 H 1 1.596 . . . . . . A 43 MET HE1 . 25153 1 510 . 1 1 43 43 MET HE2 H 1 1.596 . . . . . . A 43 MET HE2 . 25153 1 511 . 1 1 43 43 MET HE3 H 1 1.596 . . . . . . A 43 MET HE3 . 25153 1 512 . 1 1 43 43 MET C C 13 177.680 . . . . . . A 43 MET C . 25153 1 513 . 1 1 43 43 MET CA C 13 59.730 . . . . . . A 43 MET CA . 25153 1 514 . 1 1 43 43 MET CB C 13 32.700 . . . . . . A 43 MET CB . 25153 1 515 . 1 1 43 43 MET CG C 13 32.720 . . . . . . A 43 MET CG . 25153 1 516 . 1 1 43 43 MET CE C 13 18.550 . . . . . . A 43 MET CE . 25153 1 517 . 1 1 43 43 MET N N 15 118.917 . . . . . . A 43 MET N . 25153 1 518 . 1 1 44 44 GLU H H 1 7.218 . . . . . . A 44 GLU HN . 25153 1 519 . 1 1 44 44 GLU HA H 1 3.740 . . . . . . A 44 GLU HA . 25153 1 520 . 1 1 44 44 GLU HB2 H 1 2.226 . . . . . . A 44 GLU HB2 . 25153 1 521 . 1 1 44 44 GLU HB3 H 1 2.027 . . . . . . A 44 GLU HB3 . 25153 1 522 . 1 1 44 44 GLU HG2 H 1 2.319 . . . . . . A 44 GLU HG2 . 25153 1 523 . 1 1 44 44 GLU HG3 H 1 2.410 . . . . . . A 44 GLU HG3 . 25153 1 524 . 1 1 44 44 GLU C C 13 178.130 . . . . . . A 44 GLU C . 25153 1 525 . 1 1 44 44 GLU CA C 13 59.400 . . . . . . A 44 GLU CA . 25153 1 526 . 1 1 44 44 GLU CB C 13 29.550 . . . . . . A 44 GLU CB . 25153 1 527 . 1 1 44 44 GLU CG C 13 38.000 . . . . . . A 44 GLU CG . 25153 1 528 . 1 1 44 44 GLU N N 15 110.924 . . . . . . A 44 GLU N . 25153 1 529 . 1 1 45 45 GLN H H 1 7.516 . . . . . . A 45 GLN H . 25153 1 530 . 1 1 45 45 GLN HA H 1 4.183 . . . . . . A 45 GLN HA . 25153 1 531 . 1 1 45 45 GLN HB2 H 1 1.845 . . . . . . A 45 GLN HB2 . 25153 1 532 . 1 1 45 45 GLN HB3 H 1 1.800 . . . . . . A 45 GLN HB3 . 25153 1 533 . 1 1 45 45 GLN HG2 H 1 2.341 . . . . . . A 45 GLN HG2 . 25153 1 534 . 1 1 45 45 GLN HE21 H 1 6.887 . . . . . . A 45 GLN HE21 . 25153 1 535 . 1 1 45 45 GLN HE22 H 1 7.055 . . . . . . A 45 GLN HE22 . 25153 1 536 . 1 1 45 45 GLN C C 13 175.414 . . . . . . A 45 GLN C . 25153 1 537 . 1 1 45 45 GLN CA C 13 56.180 . . . . . . A 45 GLN CA . 25153 1 538 . 1 1 45 45 GLN CB C 13 28.600 . . . . . . A 45 GLN CB . 25153 1 539 . 1 1 45 45 GLN CG C 13 33.220 . . . . . . A 45 GLN CG . 25153 1 540 . 1 1 45 45 GLN N N 15 115.756 . . . . . . A 45 GLN N . 25153 1 541 . 1 1 45 45 GLN NE2 N 15 111.670 . . . . . . A 45 GLN NE2 . 25153 1 542 . 1 1 46 46 TYR H H 1 6.996 . . . . . . A 46 TYR H . 25153 1 543 . 1 1 46 46 TYR HA H 1 4.663 . . . . . . A 46 TYR HA . 25153 1 544 . 1 1 46 46 TYR HB2 H 1 3.434 . . . . . . A 46 TYR HB2 . 25153 1 545 . 1 1 46 46 TYR HB3 H 1 2.720 . . . . . . A 46 TYR HB3 . 25153 1 546 . 1 1 46 46 TYR HD1 H 1 7.090 . . . . . . A 46 TYR HD1 . 25153 1 547 . 1 1 46 46 TYR HE1 H 1 6.880 . . . . . . A 46 TYR HE1 . 25153 1 548 . 1 1 46 46 TYR C C 13 175.500 . . . . . . A 46 TYR C . 25153 1 549 . 1 1 46 46 TYR CA C 13 58.486 . . . . . . A 46 TYR CA . 25153 1 550 . 1 1 46 46 TYR CB C 13 41.470 . . . . . . A 46 TYR CB . 25153 1 551 . 1 1 46 46 TYR CD1 C 13 133.932 . . . . . . A 46 TYR CD1 . 25153 1 552 . 1 1 46 46 TYR CE1 C 13 119.800 . . . . . . A 46 TYR CE1 . 25153 1 553 . 1 1 46 46 TYR N N 15 117.860 . . . . . . A 46 TYR N . 25153 1 554 . 1 1 47 47 ASP H H 1 8.808 . . . . . . A 47 ASP HN . 25153 1 555 . 1 1 47 47 ASP HA H 1 4.700 . . . . . . A 47 ASP HA . 25153 1 556 . 1 1 47 47 ASP HB2 H 1 2.988 . . . . . . A 47 ASP HB2 . 25153 1 557 . 1 1 47 47 ASP HB3 H 1 2.891 . . . . . . A 47 ASP HB3 . 25153 1 558 . 1 1 47 47 ASP C C 13 175.610 . . . . . . A 47 ASP C . 25153 1 559 . 1 1 47 47 ASP CA C 13 56.700 . . . . . . A 47 ASP CA . 25153 1 560 . 1 1 47 47 ASP CB C 13 43.000 . . . . . . A 47 ASP CB . 25153 1 561 . 1 1 47 47 ASP N N 15 121.683 . . . . . . A 47 ASP N . 25153 1 562 . 1 1 48 48 VAL H H 1 7.628 . . . . . . A 48 VAL H . 25153 1 563 . 1 1 48 48 VAL HA H 1 5.034 . . . . . . A 48 VAL HA . 25153 1 564 . 1 1 48 48 VAL HB H 1 1.883 . . . . . . A 48 VAL HB . 25153 1 565 . 1 1 48 48 VAL HG11 H 1 1.086 . . . . . . A 48 VAL HG11 . 25153 1 566 . 1 1 48 48 VAL HG12 H 1 1.086 . . . . . . A 48 VAL HG12 . 25153 1 567 . 1 1 48 48 VAL HG13 H 1 1.086 . . . . . . A 48 VAL HG13 . 25153 1 568 . 1 1 48 48 VAL HG21 H 1 0.874 . . . . . . A 48 VAL HG21 . 25153 1 569 . 1 1 48 48 VAL HG22 H 1 0.874 . . . . . . A 48 VAL HG22 . 25153 1 570 . 1 1 48 48 VAL HG23 H 1 0.874 . . . . . . A 48 VAL HG23 . 25153 1 571 . 1 1 48 48 VAL C C 13 174.190 . . . . . . A 48 VAL C . 25153 1 572 . 1 1 48 48 VAL CA C 13 60.190 . . . . . . A 48 VAL CA . 25153 1 573 . 1 1 48 48 VAL CB C 13 36.100 . . . . . . A 48 VAL CB . 25153 1 574 . 1 1 48 48 VAL CG1 C 13 21.650 . . . . . . A 48 VAL CG1 . 25153 1 575 . 1 1 48 48 VAL CG2 C 13 20.890 . . . . . . A 48 VAL CG2 . 25153 1 576 . 1 1 48 48 VAL N N 15 118.628 . . . . . . A 48 VAL N . 25153 1 577 . 1 1 49 49 LEU H H 1 9.407 . . . . . . A 49 LEU H . 25153 1 578 . 1 1 49 49 LEU HA H 1 5.603 . . . . . . A 49 LEU HA . 25153 1 579 . 1 1 49 49 LEU HB2 H 1 1.996 . . . . . . A 49 LEU HB2 . 25153 1 580 . 1 1 49 49 LEU HB3 H 1 1.376 . . . . . . A 49 LEU HB3 . 25153 1 581 . 1 1 49 49 LEU HG H 1 0.902 . . . . . . A 49 LEU HG . 25153 1 582 . 1 1 49 49 LEU HD11 H 1 1.254 . . . . . . A 49 LEU HD11 . 25153 1 583 . 1 1 49 49 LEU HD12 H 1 1.254 . . . . . . A 49 LEU HD12 . 25153 1 584 . 1 1 49 49 LEU HD13 H 1 1.254 . . . . . . A 49 LEU HD13 . 25153 1 585 . 1 1 49 49 LEU C C 13 174.880 . . . . . . A 49 LEU C . 25153 1 586 . 1 1 49 49 LEU CA C 13 52.240 . . . . . . A 49 LEU CA . 25153 1 587 . 1 1 49 49 LEU CB C 13 45.340 . . . . . . A 49 LEU CB . 25153 1 588 . 1 1 49 49 LEU CG C 13 26.530 . . . . . . A 49 LEU CG . 25153 1 589 . 1 1 49 49 LEU CD1 C 13 25.050 . . . . . . A 49 LEU CD1 . 25153 1 590 . 1 1 49 49 LEU N N 15 128.190 . . . . . . A 49 LEU N . 25153 1 591 . 1 1 50 50 ILE H H 1 9.238 . . . . . . A 50 ILE H . 25153 1 592 . 1 1 50 50 ILE HA H 1 5.700 . . . . . . A 50 ILE HA . 25153 1 593 . 1 1 50 50 ILE HB H 1 1.716 . . . . . . A 50 ILE HB . 25153 1 594 . 1 1 50 50 ILE HG12 H 1 1.603 . . . . . . A 50 ILE HG12 . 25153 1 595 . 1 1 50 50 ILE HG13 H 1 0.940 . . . . . . A 50 ILE HG13 . 25153 1 596 . 1 1 50 50 ILE HG21 H 1 1.320 . . . . . . A 50 ILE HG21 . 25153 1 597 . 1 1 50 50 ILE HG22 H 1 1.320 . . . . . . A 50 ILE HG22 . 25153 1 598 . 1 1 50 50 ILE HG23 H 1 1.320 . . . . . . A 50 ILE HG23 . 25153 1 599 . 1 1 50 50 ILE HD11 H 1 0.752 . . . . . . A 50 ILE HD11 . 25153 1 600 . 1 1 50 50 ILE HD12 H 1 0.752 . . . . . . A 50 ILE HD12 . 25153 1 601 . 1 1 50 50 ILE HD13 H 1 0.752 . . . . . . A 50 ILE HD13 . 25153 1 602 . 1 1 50 50 ILE C C 13 175.300 . . . . . . A 50 ILE C . 25153 1 603 . 1 1 50 50 ILE CA C 13 59.864 . . . . . . A 50 ILE CA . 25153 1 604 . 1 1 50 50 ILE CB C 13 40.250 . . . . . . A 50 ILE CB . 25153 1 605 . 1 1 50 50 ILE CG1 C 13 27.405 . . . . . . A 50 ILE CG1 . 25153 1 606 . 1 1 50 50 ILE CG2 C 13 17.970 . . . . . . A 50 ILE CG2 . 25153 1 607 . 1 1 50 50 ILE CD1 C 13 14.692 . . . . . . A 50 ILE CD1 . 25153 1 608 . 1 1 50 50 ILE N N 15 124.550 . . . . . . A 50 ILE N . 25153 1 609 . 1 1 51 51 LEU H H 1 9.228 . . . . . . A 51 LEU H . 25153 1 610 . 1 1 51 51 LEU HA H 1 6.185 . . . . . . A 51 LEU HA . 25153 1 611 . 1 1 51 51 LEU HB2 H 1 1.576 . . . . . . A 51 LEU HB2 . 25153 1 612 . 1 1 51 51 LEU HB3 H 1 2.200 . . . . . . A 51 LEU HB3 . 25153 1 613 . 1 1 51 51 LEU HG H 1 1.398 . . . . . . A 51 LEU HG . 25153 1 614 . 1 1 51 51 LEU HD11 H 1 0.948 . . . . . . A 51 LEU HD11 . 25153 1 615 . 1 1 51 51 LEU HD12 H 1 0.948 . . . . . . A 51 LEU HD12 . 25153 1 616 . 1 1 51 51 LEU HD13 H 1 0.948 . . . . . . A 51 LEU HD13 . 25153 1 617 . 1 1 51 51 LEU HD21 H 1 1.875 . . . . . . A 51 LEU HD21 . 25153 1 618 . 1 1 51 51 LEU HD22 H 1 1.875 . . . . . . A 51 LEU HD22 . 25153 1 619 . 1 1 51 51 LEU HD23 H 1 1.875 . . . . . . A 51 LEU HD23 . 25153 1 620 . 1 1 51 51 LEU C C 13 174.544 . . . . . . A 51 LEU C . 25153 1 621 . 1 1 51 51 LEU CA C 13 52.820 . . . . . . A 51 LEU CA . 25153 1 622 . 1 1 51 51 LEU CB C 13 43.637 . . . . . . A 51 LEU CB . 25153 1 623 . 1 1 51 51 LEU CG C 13 26.580 . . . . . . A 51 LEU CG . 25153 1 624 . 1 1 51 51 LEU CD1 C 13 26.800 . . . . . . A 51 LEU CD1 . 25153 1 625 . 1 1 51 51 LEU CD2 C 13 26.900 . . . . . . A 51 LEU CD2 . 25153 1 626 . 1 1 51 51 LEU N N 15 127.460 . . . . . . A 51 LEU N . 25153 1 627 . 1 1 52 52 GLY H H 1 8.860 . . . . . . A 52 GLY H . 25153 1 628 . 1 1 52 52 GLY HA2 H 1 4.090 . . . . . . A 52 GLY HA2 . 25153 1 629 . 1 1 52 52 GLY HA3 H 1 2.304 . . . . . . A 52 GLY HA3 . 25153 1 630 . 1 1 52 52 GLY C C 13 174.710 . . . . . . A 52 GLY C . 25153 1 631 . 1 1 52 52 GLY CA C 13 43.870 . . . . . . A 52 GLY CA . 25153 1 632 . 1 1 52 52 GLY N N 15 107.760 . . . . . . A 52 GLY N . 25153 1 633 . 1 1 53 53 ILE H H 1 8.458 . . . . . . A 53 ILE H . 25153 1 634 . 1 1 53 53 ILE HA H 1 5.270 . . . . . . A 53 ILE HA . 25153 1 635 . 1 1 53 53 ILE HB H 1 0.940 . . . . . . A 53 ILE HB . 25153 1 636 . 1 1 53 53 ILE HG12 H 1 1.260 . . . . . . A 53 ILE HG12 . 25153 1 637 . 1 1 53 53 ILE HG13 H 1 0.855 . . . . . . A 53 ILE HG13 . 25153 1 638 . 1 1 53 53 ILE HG21 H 1 0.099 . . . . . . A 53 ILE HG21 . 25153 1 639 . 1 1 53 53 ILE HG22 H 1 0.099 . . . . . . A 53 ILE HG22 . 25153 1 640 . 1 1 53 53 ILE HG23 H 1 0.099 . . . . . . A 53 ILE HG23 . 25153 1 641 . 1 1 53 53 ILE HD11 H 1 0.547 . . . . . . A 53 ILE HD11 . 25153 1 642 . 1 1 53 53 ILE HD12 H 1 0.547 . . . . . . A 53 ILE HD12 . 25153 1 643 . 1 1 53 53 ILE HD13 H 1 0.547 . . . . . . A 53 ILE HD13 . 25153 1 644 . 1 1 53 53 ILE C C 13 172.630 . . . . . . A 53 ILE C . 25153 1 645 . 1 1 53 53 ILE CA C 13 56.680 . . . . . . A 53 ILE CA . 25153 1 646 . 1 1 53 53 ILE CB C 13 44.160 . . . . . . A 53 ILE CB . 25153 1 647 . 1 1 53 53 ILE CG1 C 13 28.380 . . . . . . A 53 ILE CG1 . 25153 1 648 . 1 1 53 53 ILE CG2 C 13 14.850 . . . . . . A 53 ILE CG2 . 25153 1 649 . 1 1 53 53 ILE CD1 C 13 14.160 . . . . . . A 53 ILE CD1 . 25153 1 650 . 1 1 53 53 ILE N N 15 123.890 . . . . . . A 53 ILE N . 25153 1 651 . 1 1 54 54 PRO HA H 1 5.388 . . . . . . A 54 PRO HA . 25153 1 652 . 1 1 54 54 PRO HB2 H 1 2.520 . . . . . . A 54 PRO HB2 . 25153 1 653 . 1 1 54 54 PRO HB3 H 1 1.860 . . . . . . A 54 PRO HB3 . 25153 1 654 . 1 1 54 54 PRO HG2 H 1 3.380 . . . . . . A 54 PRO HG2 . 25153 1 655 . 1 1 54 54 PRO HD2 H 1 3.817 . . . . . . A 54 PRO HD2 . 25153 1 656 . 1 1 54 54 PRO C C 13 175.000 . . . . . . A 54 PRO C . 25153 1 657 . 1 1 54 54 PRO CA C 13 61.600 . . . . . . A 54 PRO CA . 25153 1 658 . 1 1 54 54 PRO CB C 13 32.300 . . . . . . A 54 PRO CB . 25153 1 659 . 1 1 54 54 PRO CG C 13 27.460 . . . . . . A 54 PRO CG . 25153 1 660 . 1 1 54 54 PRO CD C 13 52.100 . . . . . . A 54 PRO CD . 25153 1 661 . 1 1 55 55 THR H H 1 6.523 . . . . . . A 55 THR H . 25153 1 662 . 1 1 55 55 THR HA H 1 4.452 . . . . . . A 55 THR HA . 25153 1 663 . 1 1 55 55 THR HB H 1 3.677 . . . . . . A 55 THR HB . 25153 1 664 . 1 1 55 55 THR HG21 H 1 1.445 . . . . . . A 55 THR HG21 . 25153 1 665 . 1 1 55 55 THR HG22 H 1 1.445 . . . . . . A 55 THR HG22 . 25153 1 666 . 1 1 55 55 THR HG23 H 1 1.445 . . . . . . A 55 THR HG23 . 25153 1 667 . 1 1 55 55 THR C C 13 172.480 . . . . . . A 55 THR C . 25153 1 668 . 1 1 55 55 THR CA C 13 62.350 . . . . . . A 55 THR CA . 25153 1 669 . 1 1 55 55 THR CB C 13 70.230 . . . . . . A 55 THR CB . 25153 1 670 . 1 1 55 55 THR CG2 C 13 22.300 . . . . . . A 55 THR CG2 . 25153 1 671 . 1 1 55 55 THR N N 15 112.754 . . . . . . A 55 THR N . 25153 1 672 . 1 1 56 56 TRP H H 1 8.450 . . . . . . A 56 TRP H . 25153 1 673 . 1 1 56 56 TRP HA H 1 2.715 . . . . . . A 56 TRP HA . 25153 1 674 . 1 1 56 56 TRP HB2 H 1 2.894 . . . . . . A 56 TRP HB2 . 25153 1 675 . 1 1 56 56 TRP HB3 H 1 1.996 . . . . . . A 56 TRP HB3 . 25153 1 676 . 1 1 56 56 TRP HD1 H 1 6.348 . . . . . . A 56 TRP HD1 . 25153 1 677 . 1 1 56 56 TRP HE3 H 1 11.362 . . . . . . A 56 TRP HE3 . 25153 1 678 . 1 1 56 56 TRP HZ2 H 1 8.252 . . . . . . A 56 TRP HZ2 . 25153 1 679 . 1 1 56 56 TRP HZ3 H 1 6.995 . . . . . . A 56 TRP HZ3 . 25153 1 680 . 1 1 56 56 TRP HH2 H 1 7.312 . . . . . . A 56 TRP HH2 . 25153 1 681 . 1 1 56 56 TRP C C 13 172.890 . . . . . . A 56 TRP C . 25153 1 682 . 1 1 56 56 TRP CA C 13 56.650 . . . . . . A 56 TRP CA . 25153 1 683 . 1 1 56 56 TRP CB C 13 33.000 . . . . . . A 56 TRP CB . 25153 1 684 . 1 1 56 56 TRP CD1 C 13 121.340 . . . . . . A 56 TRP CD1 . 25153 1 685 . 1 1 56 56 TRP CZ2 C 13 116.800 . . . . . . A 56 TRP CZ2 . 25153 1 686 . 1 1 56 56 TRP CZ3 C 13 122.150 . . . . . . A 56 TRP CZ3 . 25153 1 687 . 1 1 56 56 TRP CH2 C 13 124.930 . . . . . . A 56 TRP CH2 . 25153 1 688 . 1 1 56 56 TRP N N 15 130.044 . . . . . . A 56 TRP N . 25153 1 689 . 1 1 56 56 TRP NE1 N 15 131.044 . . . . . . A 56 TRP NE1 . 25153 1 690 . 1 1 57 57 ASP H H 1 6.910 . . . . . . A 57 ASP HN . 25153 1 691 . 1 1 57 57 ASP HA H 1 4.352 . . . . . . A 57 ASP HA . 25153 1 692 . 1 1 57 57 ASP HB2 H 1 2.760 . . . . . . A 57 ASP HB2 . 25153 1 693 . 1 1 57 57 ASP HB3 H 1 2.550 . . . . . . A 57 ASP HB3 . 25153 1 694 . 1 1 57 57 ASP C C 13 173.660 . . . . . . A 57 ASP C . 25153 1 695 . 1 1 57 57 ASP CA C 13 56.230 . . . . . . A 57 ASP CA . 25153 1 696 . 1 1 57 57 ASP CB C 13 40.170 . . . . . . A 57 ASP CB . 25153 1 697 . 1 1 57 57 ASP N N 15 115.275 . . . . . . A 57 ASP N . 25153 1 698 . 1 1 58 58 PHE H H 1 7.640 . . . . . . A 58 PHE H . 25153 1 699 . 1 1 58 58 PHE HA H 1 3.324 . . . . . . A 58 PHE HA . 25153 1 700 . 1 1 58 58 PHE HB2 H 1 3.168 . . . . . . A 58 PHE HB2 . 25153 1 701 . 1 1 58 58 PHE HB3 H 1 1.545 . . . . . . A 58 PHE HB3 . 25153 1 702 . 1 1 58 58 PHE HD2 H 1 6.130 . . . . . . A 58 PHE HD2 . 25153 1 703 . 1 1 58 58 PHE HE2 H 1 7.334 . . . . . . A 58 PHE HE2 . 25153 1 704 . 1 1 58 58 PHE HZ H 1 7.338 . . . . . . A 58 PHE HZ . 25153 1 705 . 1 1 58 58 PHE C C 13 175.730 . . . . . . A 58 PHE C . 25153 1 706 . 1 1 58 58 PHE CA C 13 58.823 . . . . . . A 58 PHE CA . 25153 1 707 . 1 1 58 58 PHE CB C 13 34.754 . . . . . . A 58 PHE CB . 25153 1 708 . 1 1 58 58 PHE CD2 C 13 131.900 . . . . . . A 58 PHE CD2 . 25153 1 709 . 1 1 58 58 PHE CE2 C 13 131.900 . . . . . . A 58 PHE CE2 . 25153 1 710 . 1 1 58 58 PHE CZ C 13 129.460 . . . . . . A 58 PHE CZ . 25153 1 711 . 1 1 58 58 PHE N N 15 112.840 . . . . . . A 58 PHE N . 25153 1 712 . 1 1 59 59 GLY H H 1 8.024 . . . . . . A 59 GLY H . 25153 1 713 . 1 1 59 59 GLY HA2 H 1 4.612 . . . . . . A 59 GLY HA2 . 25153 1 714 . 1 1 59 59 GLY HA3 H 1 3.635 . . . . . . A 59 GLY HA3 . 25153 1 715 . 1 1 59 59 GLY C C 13 173.750 . . . . . . A 59 GLY C . 25153 1 716 . 1 1 59 59 GLY CA C 13 46.290 . . . . . . A 59 GLY CA . 25153 1 717 . 1 1 59 59 GLY N N 15 104.940 . . . . . . A 59 GLY N . 25153 1 718 . 1 1 60 60 GLU H H 1 8.396 . . . . . . A 60 GLU HN . 25153 1 719 . 1 1 60 60 GLU HA H 1 4.413 . . . . . . A 60 GLU HA . 25153 1 720 . 1 1 60 60 GLU HB2 H 1 1.932 . . . . . . A 60 GLU HB2 . 25153 1 721 . 1 1 60 60 GLU HB3 H 1 1.720 . . . . . . A 60 GLU HB3 . 25153 1 722 . 1 1 60 60 GLU HG2 H 1 2.430 . . . . . . A 60 GLU HG2 . 25153 1 723 . 1 1 60 60 GLU HG3 H 1 2.190 . . . . . . A 60 GLU HG3 . 25153 1 724 . 1 1 60 60 GLU C C 13 176.050 . . . . . . A 60 GLU C . 25153 1 725 . 1 1 60 60 GLU CA C 13 54.620 . . . . . . A 60 GLU CA . 25153 1 726 . 1 1 60 60 GLU CB C 13 30.610 . . . . . . A 60 GLU CB . 25153 1 727 . 1 1 60 60 GLU CG C 13 35.400 . . . . . . A 60 GLU CG . 25153 1 728 . 1 1 60 60 GLU N N 15 120.045 . . . . . . A 60 GLU N . 25153 1 729 . 1 1 61 61 ILE H H 1 8.200 . . . . . . A 61 ILE H . 25153 1 730 . 1 1 61 61 ILE HA H 1 3.467 . . . . . . A 61 ILE HA . 25153 1 731 . 1 1 61 61 ILE HB H 1 1.310 . . . . . . A 61 ILE HB . 25153 1 732 . 1 1 61 61 ILE HG12 H 1 1.085 . . . . . . A 61 ILE HG12 . 25153 1 733 . 1 1 61 61 ILE HG13 H 1 0.462 . . . . . . A 61 ILE HG13 . 25153 1 734 . 1 1 61 61 ILE HG21 H 1 0.670 . . . . . . A 61 ILE HG21 . 25153 1 735 . 1 1 61 61 ILE HG22 H 1 0.670 . . . . . . A 61 ILE HG22 . 25153 1 736 . 1 1 61 61 ILE HG23 H 1 0.670 . . . . . . A 61 ILE HG23 . 25153 1 737 . 1 1 61 61 ILE HD11 H 1 -0.380 . . . . . . A 61 ILE HD11 . 25153 1 738 . 1 1 61 61 ILE HD12 H 1 -0.380 . . . . . . A 61 ILE HD12 . 25153 1 739 . 1 1 61 61 ILE HD13 H 1 -0.380 . . . . . . A 61 ILE HD13 . 25153 1 740 . 1 1 61 61 ILE C C 13 175.130 . . . . . . A 61 ILE C . 25153 1 741 . 1 1 61 61 ILE CA C 13 61.547 . . . . . . A 61 ILE CA . 25153 1 742 . 1 1 61 61 ILE CB C 13 38.850 . . . . . . A 61 ILE CB . 25153 1 743 . 1 1 61 61 ILE CG1 C 13 28.100 . . . . . . A 61 ILE CG1 . 25153 1 744 . 1 1 61 61 ILE CG2 C 13 19.060 . . . . . . A 61 ILE CG2 . 25153 1 745 . 1 1 61 61 ILE CD1 C 13 12.280 . . . . . . A 61 ILE CD1 . 25153 1 746 . 1 1 61 61 ILE N N 15 120.790 . . . . . . A 61 ILE N . 25153 1 747 . 1 1 62 62 GLN H H 1 5.667 . . . . . . A 62 GLN H . 25153 1 748 . 1 1 62 62 GLN HA H 1 3.956 . . . . . . A 62 GLN HA . 25153 1 749 . 1 1 62 62 GLN HB2 H 1 2.657 . . . . . . A 62 GLN HB2 . 25153 1 750 . 1 1 62 62 GLN HB3 H 1 2.306 . . . . . . A 62 GLN HB3 . 25153 1 751 . 1 1 62 62 GLN HG2 H 1 2.520 . . . . . . A 62 GLN HG2 . 25153 1 752 . 1 1 62 62 GLN C C 13 177.160 . . . . . . A 62 GLN C . 25153 1 753 . 1 1 62 62 GLN CA C 13 57.610 . . . . . . A 62 GLN CA . 25153 1 754 . 1 1 62 62 GLN CB C 13 27.650 . . . . . . A 62 GLN CB . 25153 1 755 . 1 1 62 62 GLN CG C 13 32.672 . . . . . . A 62 GLN CG . 25153 1 756 . 1 1 62 62 GLN N N 15 124.520 . . . . . . A 62 GLN N . 25153 1 757 . 1 1 63 63 GLU H H 1 8.826 . . . . . . A 63 GLU HN . 25153 1 758 . 1 1 63 63 GLU HA H 1 3.986 . . . . . . A 63 GLU HA . 25153 1 759 . 1 1 63 63 GLU HB2 H 1 1.807 . . . . . . A 63 GLU HB2 . 25153 1 760 . 1 1 63 63 GLU HB3 H 1 1.987 . . . . . . A 63 GLU HB3 . 25153 1 761 . 1 1 63 63 GLU HG2 H 1 2.030 . . . . . . A 63 GLU HG2 . 25153 1 762 . 1 1 63 63 GLU HG3 H 1 1.998 . . . . . . A 63 GLU HG3 . 25153 1 763 . 1 1 63 63 GLU C C 13 177.300 . . . . . . A 63 GLU C . 25153 1 764 . 1 1 63 63 GLU CA C 13 60.720 . . . . . . A 63 GLU CA . 25153 1 765 . 1 1 63 63 GLU CB C 13 30.120 . . . . . . A 63 GLU CB . 25153 1 766 . 1 1 63 63 GLU CG C 13 34.880 . . . . . . A 63 GLU CG . 25153 1 767 . 1 1 63 63 GLU N N 15 124.570 . . . . . . A 63 GLU N . 25153 1 768 . 1 1 64 64 ASP H H 1 7.650 . . . . . . A 64 ASP HN . 25153 1 769 . 1 1 64 64 ASP HA H 1 4.620 . . . . . . A 64 ASP HA . 25153 1 770 . 1 1 64 64 ASP HB2 H 1 2.780 . . . . . . A 64 ASP HB2 . 25153 1 771 . 1 1 64 64 ASP HB3 H 1 2.130 . . . . . . A 64 ASP HB3 . 25153 1 772 . 1 1 64 64 ASP C C 13 179.180 . . . . . . A 64 ASP C . 25153 1 773 . 1 1 64 64 ASP CA C 13 57.950 . . . . . . A 64 ASP CA . 25153 1 774 . 1 1 64 64 ASP CB C 13 40.950 . . . . . . A 64 ASP CB . 25153 1 775 . 1 1 64 64 ASP N N 15 119.060 . . . . . . A 64 ASP N . 25153 1 776 . 1 1 65 65 TRP H H 1 7.350 . . . . . . A 65 TRP H . 25153 1 777 . 1 1 65 65 TRP HA H 1 4.340 . . . . . . A 65 TRP HA . 25153 1 778 . 1 1 65 65 TRP HB2 H 1 3.442 . . . . . . A 65 TRP HB2 . 25153 1 779 . 1 1 65 65 TRP HB3 H 1 3.325 . . . . . . A 65 TRP HB3 . 25153 1 780 . 1 1 65 65 TRP HD1 H 1 7.367 . . . . . . A 65 TRP HD1 . 25153 1 781 . 1 1 65 65 TRP HE1 H 1 10.600 . . . . . . A 65 TRP HE3 . 25153 1 782 . 1 1 65 65 TRP HE3 H 1 7.640 . . . . . . A 65 TRP HE3 . 25153 1 783 . 1 1 65 65 TRP HZ2 H 1 7.340 . . . . . . A 65 TRP HZ2 . 25153 1 784 . 1 1 65 65 TRP HZ3 H 1 6.780 . . . . . . A 65 TRP HZ3 . 25153 1 785 . 1 1 65 65 TRP HH2 H 1 7.008 . . . . . . A 65 TRP HH2 . 25153 1 786 . 1 1 65 65 TRP C C 13 178.970 . . . . . . A 65 TRP C . 25153 1 787 . 1 1 65 65 TRP CA C 13 60.820 . . . . . . A 65 TRP CA . 25153 1 788 . 1 1 65 65 TRP CB C 13 30.400 . . . . . . A 65 TRP CB . 25153 1 789 . 1 1 65 65 TRP CD1 C 13 124.590 . . . . . . A 65 TRP CD1 . 25153 1 790 . 1 1 65 65 TRP CE3 C 13 120.000 . . . . . . A 65 TRP CE3 . 25153 1 791 . 1 1 65 65 TRP CZ2 C 13 114.100 . . . . . . A 65 TRP CZ2 . 25153 1 792 . 1 1 65 65 TRP CZ3 C 13 121.850 . . . . . . A 65 TRP CZ3 . 25153 1 793 . 1 1 65 65 TRP CH2 C 13 124.590 . . . . . . A 65 TRP CH2 . 25153 1 794 . 1 1 65 65 TRP N N 15 121.070 . . . . . . A 65 TRP N . 25153 1 795 . 1 1 65 65 TRP NE1 N 15 128.170 . . . . . . A 65 TRP NE1 . 25153 1 796 . 1 1 66 66 GLU H H 1 8.720 . . . . . . A 66 GLU HN . 25153 1 797 . 1 1 66 66 GLU HA H 1 3.840 . . . . . . A 66 GLU HA . 25153 1 798 . 1 1 66 66 GLU HB2 H 1 2.068 . . . . . . A 66 GLU HB2 . 25153 1 799 . 1 1 66 66 GLU HB3 H 1 1.683 . . . . . . A 66 GLU HB3 . 25153 1 800 . 1 1 66 66 GLU HG2 H 1 2.174 . . . . . . A 66 GLU HG2 . 25153 1 801 . 1 1 66 66 GLU C C 13 178.750 . . . . . . A 66 GLU C . 25153 1 802 . 1 1 66 66 GLU CA C 13 60.000 . . . . . . A 66 GLU CA . 25153 1 803 . 1 1 66 66 GLU CB C 13 28.860 . . . . . . A 66 GLU CB . 25153 1 804 . 1 1 66 66 GLU CG C 13 35.500 . . . . . . A 66 GLU CG . 25153 1 805 . 1 1 66 66 GLU N N 15 120.900 . . . . . . A 66 GLU N . 25153 1 806 . 1 1 67 67 ALA H H 1 7.640 . . . . . . A 67 ALA H . 25153 1 807 . 1 1 67 67 ALA HA H 1 4.253 . . . . . . A 67 ALA HA . 25153 1 808 . 1 1 67 67 ALA HB1 H 1 1.600 . . . . . . A 67 ALA HB1 . 25153 1 809 . 1 1 67 67 ALA HB2 H 1 1.600 . . . . . . A 67 ALA HB2 . 25153 1 810 . 1 1 67 67 ALA HB3 H 1 1.600 . . . . . . A 67 ALA HB3 . 25153 1 811 . 1 1 67 67 ALA C C 13 179.410 . . . . . . A 67 ALA C . 25153 1 812 . 1 1 67 67 ALA CA C 13 54.580 . . . . . . A 67 ALA CA . 25153 1 813 . 1 1 67 67 ALA CB C 13 18.810 . . . . . . A 67 ALA CB . 25153 1 814 . 1 1 67 67 ALA N N 15 119.130 . . . . . . A 67 ALA N . 25153 1 815 . 1 1 68 68 VAL H H 1 7.219 . . . . . . A 68 VAL H . 25153 1 816 . 1 1 68 68 VAL HA H 1 4.810 . . . . . . A 68 VAL HA . 25153 1 817 . 1 1 68 68 VAL HB H 1 2.464 . . . . . . A 68 VAL HB . 25153 1 818 . 1 1 68 68 VAL HG11 H 1 0.997 . . . . . . A 68 VAL HG11 . 25153 1 819 . 1 1 68 68 VAL HG12 H 1 0.997 . . . . . . A 68 VAL HG12 . 25153 1 820 . 1 1 68 68 VAL HG13 H 1 0.997 . . . . . . A 68 VAL HG13 . 25153 1 821 . 1 1 68 68 VAL HG21 H 1 0.970 . . . . . . A 68 VAL HG21 . 25153 1 822 . 1 1 68 68 VAL HG22 H 1 0.970 . . . . . . A 68 VAL HG22 . 25153 1 823 . 1 1 68 68 VAL HG23 H 1 0.970 . . . . . . A 68 VAL HG23 . 25153 1 824 . 1 1 68 68 VAL C C 13 176.750 . . . . . . A 68 VAL C . 25153 1 825 . 1 1 68 68 VAL CA C 13 59.610 . . . . . . A 68 VAL CA . 25153 1 826 . 1 1 68 68 VAL CB C 13 32.620 . . . . . . A 68 VAL CB . 25153 1 827 . 1 1 68 68 VAL CG1 C 13 18.520 . . . . . . A 68 VAL CG1 . 25153 1 828 . 1 1 68 68 VAL CG2 C 13 21.140 . . . . . . A 68 VAL CG2 . 25153 1 829 . 1 1 68 68 VAL N N 15 106.845 . . . . . . A 68 VAL N . 25153 1 830 . 1 1 69 69 TRP H H 1 7.832 . . . . . . A 69 TRP H . 25153 1 831 . 1 1 69 69 TRP HA H 1 4.238 . . . . . . A 69 TRP HA . 25153 1 832 . 1 1 69 69 TRP HB2 H 1 3.823 . . . . . . A 69 TRP HB2 . 25153 1 833 . 1 1 69 69 TRP HB3 H 1 3.349 . . . . . . A 69 TRP HB3 . 25153 1 834 . 1 1 69 69 TRP HD1 H 1 7.300 . . . . . . A 69 TRP HD1 . 25153 1 835 . 1 1 69 69 TRP HE1 H 1 10.273 . . . . . . A 69 TRP HE3 . 25153 1 836 . 1 1 69 69 TRP HE3 H 1 7.750 . . . . . . A 69 TRP HE3 . 25153 1 837 . 1 1 69 69 TRP HZ2 H 1 7.139 . . . . . . A 69 TRP HZ2 . 25153 1 838 . 1 1 69 69 TRP HZ3 H 1 6.596 . . . . . . A 69 TRP HZ3 . 25153 1 839 . 1 1 69 69 TRP HH2 H 1 6.510 . . . . . . A 69 TRP HH2 . 25153 1 840 . 1 1 69 69 TRP C C 13 178.670 . . . . . . A 69 TRP C . 25153 1 841 . 1 1 69 69 TRP CA C 13 61.220 . . . . . . A 69 TRP CA . 25153 1 842 . 1 1 69 69 TRP CB C 13 31.630 . . . . . . A 69 TRP CB . 25153 1 843 . 1 1 69 69 TRP CD1 C 13 127.000 . . . . . . A 69 TRP CD1 . 25153 1 844 . 1 1 69 69 TRP CE3 C 13 121.340 . . . . . . A 69 TRP CE3 . 25153 1 845 . 1 1 69 69 TRP CZ2 C 13 114.028 . . . . . . A 69 TRP CZ2 . 25153 1 846 . 1 1 69 69 TRP CZ3 C 13 121.300 . . . . . . A 69 TRP CZ3 . 25153 1 847 . 1 1 69 69 TRP CH2 C 13 123.780 . . . . . . A 69 TRP CH2 . 25153 1 848 . 1 1 69 69 TRP N N 15 127.630 . . . . . . A 69 TRP N . 25153 1 849 . 1 1 69 69 TRP NE1 N 15 128.420 . . . . . . A 69 TRP NE1 . 25153 1 850 . 1 1 70 70 ASP H H 1 8.730 . . . . . . A 70 ASP HN . 25153 1 851 . 1 1 70 70 ASP HA H 1 4.522 . . . . . . A 70 ASP HA . 25153 1 852 . 1 1 70 70 ASP HB2 H 1 2.790 . . . . . . A 70 ASP HB2 . 25153 1 853 . 1 1 70 70 ASP HB3 H 1 2.730 . . . . . . A 70 ASP HB3 . 25153 1 854 . 1 1 70 70 ASP C C 13 178.670 . . . . . . A 70 ASP C . 25153 1 855 . 1 1 70 70 ASP CA C 13 56.000 . . . . . . A 70 ASP CA . 25153 1 856 . 1 1 70 70 ASP CB C 13 39.850 . . . . . . A 70 ASP CB . 25153 1 857 . 1 1 70 70 ASP N N 15 114.544 . . . . . . A 70 ASP N . 25153 1 858 . 1 1 71 71 GLN H H 1 7.995 . . . . . . A 71 GLN H . 25153 1 859 . 1 1 71 71 GLN HA H 1 4.184 . . . . . . A 71 GLN HA . 25153 1 860 . 1 1 71 71 GLN HB2 H 1 2.130 . . . . . . A 71 GLN HB2 . 25153 1 861 . 1 1 71 71 GLN HG2 H 1 2.500 . . . . . . A 71 GLN HG2 . 25153 1 862 . 1 1 71 71 GLN HG3 H 1 2.383 . . . . . . A 71 GLN HG3 . 25153 1 863 . 1 1 71 71 GLN HE21 H 1 6.943 . . . . . . A 71 GLN HE21 . 25153 1 864 . 1 1 71 71 GLN HE22 H 1 7.856 . . . . . . A 71 GLN HE22 . 25153 1 865 . 1 1 71 71 GLN C C 13 178.910 . . . . . . A 71 GLN C . 25153 1 866 . 1 1 71 71 GLN CA C 13 57.610 . . . . . . A 71 GLN CA . 25153 1 867 . 1 1 71 71 GLN CB C 13 29.100 . . . . . . A 71 GLN CB . 25153 1 868 . 1 1 71 71 GLN CG C 13 34.490 . . . . . . A 71 GLN CG . 25153 1 869 . 1 1 71 71 GLN N N 15 120.040 . . . . . . A 71 GLN N . 25153 1 870 . 1 1 71 71 GLN NE2 N 15 112.340 . . . . . . A 71 GLN NE2 . 25153 1 871 . 1 1 72 72 LEU H H 1 7.450 . . . . . . A 72 LEU H . 25153 1 872 . 1 1 72 72 LEU HA H 1 3.813 . . . . . . A 72 LEU HA . 25153 1 873 . 1 1 72 72 LEU HB2 H 1 1.585 . . . . . . A 72 LEU HB2 . 25153 1 874 . 1 1 72 72 LEU HB3 H 1 0.937 . . . . . . A 72 LEU HB3 . 25153 1 875 . 1 1 72 72 LEU HG H 1 1.970 . . . . . . A 72 LEU HG . 25153 1 876 . 1 1 72 72 LEU HD11 H 1 0.433 . . . . . . A 72 LEU HD11 . 25153 1 877 . 1 1 72 72 LEU HD12 H 1 0.433 . . . . . . A 72 LEU HD12 . 25153 1 878 . 1 1 72 72 LEU HD13 H 1 0.433 . . . . . . A 72 LEU HD13 . 25153 1 879 . 1 1 72 72 LEU HD21 H 1 0.668 . . . . . . A 72 LEU HD21 . 25153 1 880 . 1 1 72 72 LEU HD22 H 1 0.668 . . . . . . A 72 LEU HD22 . 25153 1 881 . 1 1 72 72 LEU HD23 H 1 0.668 . . . . . . A 72 LEU HD23 . 25153 1 882 . 1 1 72 72 LEU C C 13 178.650 . . . . . . A 72 LEU C . 25153 1 883 . 1 1 72 72 LEU CA C 13 57.200 . . . . . . A 72 LEU CA . 25153 1 884 . 1 1 72 72 LEU CB C 13 41.410 . . . . . . A 72 LEU CB . 25153 1 885 . 1 1 72 72 LEU CG C 13 26.600 . . . . . . A 72 LEU CG . 25153 1 886 . 1 1 72 72 LEU CD1 C 13 25.710 . . . . . . A 72 LEU CD1 . 25153 1 887 . 1 1 72 72 LEU CD2 C 13 22.500 . . . . . . A 72 LEU CD2 . 25153 1 888 . 1 1 72 72 LEU N N 15 117.400 . . . . . . A 72 LEU N . 25153 1 889 . 1 1 73 73 ASP H H 1 7.499 . . . . . . A 73 ASP HN . 25153 1 890 . 1 1 73 73 ASP HA H 1 4.168 . . . . . . A 73 ASP HA . 25153 1 891 . 1 1 73 73 ASP HB2 H 1 2.652 . . . . . . A 73 ASP HB2 . 25153 1 892 . 1 1 73 73 ASP C C 13 177.560 . . . . . . A 73 ASP C . 25153 1 893 . 1 1 73 73 ASP CA C 13 57.400 . . . . . . A 73 ASP CA . 25153 1 894 . 1 1 73 73 ASP CB C 13 40.100 . . . . . . A 73 ASP CB . 25153 1 895 . 1 1 73 73 ASP N N 15 115.750 . . . . . . A 73 ASP N . 25153 1 896 . 1 1 74 74 ASP H H 1 7.380 . . . . . . A 74 ASP HN . 25153 1 897 . 1 1 74 74 ASP HA H 1 4.703 . . . . . . A 74 ASP HA . 25153 1 898 . 1 1 74 74 ASP HB2 H 1 2.818 . . . . . . A 74 ASP HB2 . 25153 1 899 . 1 1 74 74 ASP HB3 H 1 2.506 . . . . . . A 74 ASP HB3 . 25153 1 900 . 1 1 74 74 ASP C C 13 176.388 . . . . . . A 74 ASP C . 25153 1 901 . 1 1 74 74 ASP CA C 13 54.500 . . . . . . A 74 ASP CA . 25153 1 902 . 1 1 74 74 ASP CB C 13 41.700 . . . . . . A 74 ASP CB . 25153 1 903 . 1 1 74 74 ASP N N 15 117.223 . . . . . . A 74 ASP N . 25153 1 904 . 1 1 75 75 LEU H H 1 6.960 . . . . . . A 75 LEU H . 25153 1 905 . 1 1 75 75 LEU HA H 1 4.285 . . . . . . A 75 LEU HA . 25153 1 906 . 1 1 75 75 LEU HB2 H 1 1.658 . . . . . . A 75 LEU HB2 . 25153 1 907 . 1 1 75 75 LEU HB3 H 1 1.053 . . . . . . A 75 LEU HB3 . 25153 1 908 . 1 1 75 75 LEU HG H 1 1.970 . . . . . . A 75 LEU HG . 25153 1 909 . 1 1 75 75 LEU HD11 H 1 0.783 . . . . . . A 75 LEU HD11 . 25153 1 910 . 1 1 75 75 LEU HD12 H 1 0.783 . . . . . . A 75 LEU HD12 . 25153 1 911 . 1 1 75 75 LEU HD13 H 1 0.783 . . . . . . A 75 LEU HD13 . 25153 1 912 . 1 1 75 75 LEU HD21 H 1 0.694 . . . . . . A 75 LEU HD21 . 25153 1 913 . 1 1 75 75 LEU HD22 H 1 0.694 . . . . . . A 75 LEU HD22 . 25153 1 914 . 1 1 75 75 LEU HD23 H 1 0.694 . . . . . . A 75 LEU HD23 . 25153 1 915 . 1 1 75 75 LEU C C 13 176.820 . . . . . . A 75 LEU C . 25153 1 916 . 1 1 75 75 LEU CA C 13 54.400 . . . . . . A 75 LEU CA . 25153 1 917 . 1 1 75 75 LEU CB C 13 43.280 . . . . . . A 75 LEU CB . 25153 1 918 . 1 1 75 75 LEU CG C 13 26.000 . . . . . . A 75 LEU CG . 25153 1 919 . 1 1 75 75 LEU CD1 C 13 28.700 . . . . . . A 75 LEU CD1 . 25153 1 920 . 1 1 75 75 LEU CD2 C 13 23.000 . . . . . . A 75 LEU CD2 . 25153 1 921 . 1 1 75 75 LEU N N 15 118.316 . . . . . . A 75 LEU N . 25153 1 922 . 1 1 76 76 ASN H H 1 9.890 . . . . . . A 76 ASN H . 25153 1 923 . 1 1 76 76 ASN HA H 1 4.890 . . . . . . A 76 ASN HA . 25153 1 924 . 1 1 76 76 ASN HB2 H 1 2.934 . . . . . . A 76 ASN HB2 . 25153 1 925 . 1 1 76 76 ASN HB3 H 1 2.700 . . . . . . A 76 ASN HB3 . 25153 1 926 . 1 1 76 76 ASN HD21 H 1 6.854 . . . . . . A 76 ASN HD21 . 25153 1 927 . 1 1 76 76 ASN HD22 H 1 7.581 . . . . . . A 76 ASN HD22 . 25153 1 928 . 1 1 76 76 ASN C C 13 174.950 . . . . . . A 76 ASN C . 25153 1 929 . 1 1 76 76 ASN CA C 13 52.050 . . . . . . A 76 ASN CA . 25153 1 930 . 1 1 76 76 ASN CB C 13 37.500 . . . . . . A 76 ASN CB . 25153 1 931 . 1 1 76 76 ASN N N 15 123.045 . . . . . . A 76 ASN N . 25153 1 932 . 1 1 76 76 ASN ND2 N 15 111.800 . . . . . . A 76 ASN ND2 . 25153 1 933 . 1 1 77 77 LEU H H 1 8.730 . . . . . . A 77 LEU H . 25153 1 934 . 1 1 77 77 LEU HA H 1 4.370 . . . . . . A 77 LEU HA . 25153 1 935 . 1 1 77 77 LEU HB2 H 1 1.460 . . . . . . A 77 LEU HB2 . 25153 1 936 . 1 1 77 77 LEU HB3 H 1 1.256 . . . . . . A 77 LEU HB3 . 25153 1 937 . 1 1 77 77 LEU HG H 1 0.602 . . . . . . A 77 LEU HG . 25153 1 938 . 1 1 77 77 LEU HD11 H 1 0.533 . . . . . . A 77 LEU HD11 . 25153 1 939 . 1 1 77 77 LEU HD12 H 1 0.533 . . . . . . A 77 LEU HD12 . 25153 1 940 . 1 1 77 77 LEU HD13 H 1 0.533 . . . . . . A 77 LEU HD13 . 25153 1 941 . 1 1 77 77 LEU HD21 H 1 0.622 . . . . . . A 77 LEU HD21 . 25153 1 942 . 1 1 77 77 LEU HD22 H 1 0.622 . . . . . . A 77 LEU HD22 . 25153 1 943 . 1 1 77 77 LEU HD23 H 1 0.622 . . . . . . A 77 LEU HD23 . 25153 1 944 . 1 1 77 77 LEU C C 13 175.040 . . . . . . A 77 LEU C . 25153 1 945 . 1 1 77 77 LEU CA C 13 52.250 . . . . . . A 77 LEU CA . 25153 1 946 . 1 1 77 77 LEU CB C 13 42.900 . . . . . . A 77 LEU CB . 25153 1 947 . 1 1 77 77 LEU CG C 13 25.200 . . . . . . A 77 LEU CG . 25153 1 948 . 1 1 77 77 LEU CD1 C 13 22.070 . . . . . . A 77 LEU CD1 . 25153 1 949 . 1 1 77 77 LEU CD2 C 13 22.150 . . . . . . A 77 LEU CD2 . 25153 1 950 . 1 1 77 77 LEU N N 15 123.494 . . . . . . A 77 LEU N . 25153 1 951 . 1 1 78 78 GLU H H 1 7.682 . . . . . . A 78 GLU HN . 25153 1 952 . 1 1 78 78 GLU HA H 1 3.900 . . . . . . A 78 GLU HA . 25153 1 953 . 1 1 78 78 GLU HB2 H 1 2.009 . . . . . . A 78 GLU HB2 . 25153 1 954 . 1 1 78 78 GLU HB3 H 1 2.070 . . . . . . A 78 GLU HB3 . 25153 1 955 . 1 1 78 78 GLU HG2 H 1 2.325 . . . . . . A 78 GLU HG2 . 25153 1 956 . 1 1 78 78 GLU HG3 H 1 2.373 . . . . . . A 78 GLU HG3 . 25153 1 957 . 1 1 78 78 GLU C C 13 178.660 . . . . . . A 78 GLU C . 25153 1 958 . 1 1 78 78 GLU CA C 13 58.760 . . . . . . A 78 GLU CA . 25153 1 959 . 1 1 78 78 GLU CB C 13 29.400 . . . . . . A 78 GLU CB . 25153 1 960 . 1 1 78 78 GLU CG C 13 36.000 . . . . . . A 78 GLU CG . 25153 1 961 . 1 1 78 78 GLU N N 15 120.870 . . . . . . A 78 GLU N . 25153 1 962 . 1 1 79 79 GLY H H 1 8.474 . . . . . . A 79 GLY H . 25153 1 963 . 1 1 79 79 GLY HA2 H 1 4.288 . . . . . . A 79 GLY HA2 . 25153 1 964 . 1 1 79 79 GLY HA3 H 1 3.650 . . . . . . A 79 GLY HA3 . 25153 1 965 . 1 1 79 79 GLY C C 13 174.460 . . . . . . A 79 GLY C . 25153 1 966 . 1 1 79 79 GLY CA C 13 45.430 . . . . . . A 79 GLY CA . 25153 1 967 . 1 1 79 79 GLY N N 15 113.240 . . . . . . A 79 GLY N . 25153 1 968 . 1 1 80 80 LYS H H 1 7.805 . . . . . . A 80 LYS HN . 25153 1 969 . 1 1 80 80 LYS HA H 1 4.358 . . . . . . A 80 LYS HA . 25153 1 970 . 1 1 80 80 LYS HB2 H 1 1.686 . . . . . . A 80 LYS HB2 . 25153 1 971 . 1 1 80 80 LYS HB3 H 1 1.590 . . . . . . A 80 LYS HB3 . 25153 1 972 . 1 1 80 80 LYS HG2 H 1 1.517 . . . . . . A 80 LYS HG2 . 25153 1 973 . 1 1 80 80 LYS HG3 H 1 1.250 . . . . . . A 80 LYS HG3 . 25153 1 974 . 1 1 80 80 LYS HD2 H 1 1.500 . . . . . . A 80 LYS HD2 . 25153 1 975 . 1 1 80 80 LYS HD3 H 1 1.910 . . . . . . A 80 LYS HD3 . 25153 1 976 . 1 1 80 80 LYS HE2 H 1 3.400 . . . . . . A 80 LYS HE2 . 25153 1 977 . 1 1 80 80 LYS HE3 H 1 3.090 . . . . . . A 80 LYS HE3 . 25153 1 978 . 1 1 80 80 LYS C C 13 175.360 . . . . . . A 80 LYS C . 25153 1 979 . 1 1 80 80 LYS CA C 13 56.970 . . . . . . A 80 LYS CA . 25153 1 980 . 1 1 80 80 LYS CB C 13 33.200 . . . . . . A 80 LYS CB . 25153 1 981 . 1 1 80 80 LYS CG C 13 26.680 . . . . . . A 80 LYS CG . 25153 1 982 . 1 1 80 80 LYS CD C 13 28.500 . . . . . . A 80 LYS CD . 25153 1 983 . 1 1 80 80 LYS CE C 13 43.540 . . . . . . A 80 LYS CE . 25153 1 984 . 1 1 80 80 LYS N N 15 120.295 . . . . . . A 80 LYS N . 25153 1 985 . 1 1 81 81 ILE H H 1 7.400 . . . . . . A 81 ILE H . 25153 1 986 . 1 1 81 81 ILE HA H 1 4.793 . . . . . . A 81 ILE HA . 25153 1 987 . 1 1 81 81 ILE HB H 1 1.892 . . . . . . A 81 ILE HB . 25153 1 988 . 1 1 81 81 ILE HG12 H 1 1.635 . . . . . . A 81 ILE HG12 . 25153 1 989 . 1 1 81 81 ILE HG13 H 1 0.963 . . . . . . A 81 ILE HG13 . 25153 1 990 . 1 1 81 81 ILE HG21 H 1 0.845 . . . . . . A 81 ILE HG21 . 25153 1 991 . 1 1 81 81 ILE HG22 H 1 0.845 . . . . . . A 81 ILE HG22 . 25153 1 992 . 1 1 81 81 ILE HG23 H 1 0.845 . . . . . . A 81 ILE HG23 . 25153 1 993 . 1 1 81 81 ILE HD11 H 1 0.708 . . . . . . A 81 ILE HD11 . 25153 1 994 . 1 1 81 81 ILE HD12 H 1 0.708 . . . . . . A 81 ILE HD12 . 25153 1 995 . 1 1 81 81 ILE HD13 H 1 0.708 . . . . . . A 81 ILE HD13 . 25153 1 996 . 1 1 81 81 ILE C C 13 174.760 . . . . . . A 81 ILE C . 25153 1 997 . 1 1 81 81 ILE CA C 13 59.830 . . . . . . A 81 ILE CA . 25153 1 998 . 1 1 81 81 ILE CB C 13 38.700 . . . . . . A 81 ILE CB . 25153 1 999 . 1 1 81 81 ILE CG1 C 13 28.400 . . . . . . A 81 ILE CG1 . 25153 1 1000 . 1 1 81 81 ILE CG2 C 13 19.311 . . . . . . A 81 ILE CG2 . 25153 1 1001 . 1 1 81 81 ILE CD1 C 13 13.390 . . . . . . A 81 ILE CD1 . 25153 1 1002 . 1 1 81 81 ILE N N 15 122.400 . . . . . . A 81 ILE N . 25153 1 1003 . 1 1 82 82 VAL H H 1 8.790 . . . . . . A 82 VAL H . 25153 1 1004 . 1 1 82 82 VAL HA H 1 5.262 . . . . . . A 82 VAL HA . 25153 1 1005 . 1 1 82 82 VAL HB H 1 1.480 . . . . . . A 82 VAL HB . 25153 1 1006 . 1 1 82 82 VAL HG11 H 1 0.732 . . . . . . A 82 VAL HG11 . 25153 1 1007 . 1 1 82 82 VAL HG12 H 1 0.732 . . . . . . A 82 VAL HG12 . 25153 1 1008 . 1 1 82 82 VAL HG13 H 1 0.732 . . . . . . A 82 VAL HG13 . 25153 1 1009 . 1 1 82 82 VAL HG21 H 1 1.015 . . . . . . A 82 VAL HG21 . 25153 1 1010 . 1 1 82 82 VAL HG22 H 1 1.015 . . . . . . A 82 VAL HG22 . 25153 1 1011 . 1 1 82 82 VAL HG23 H 1 1.015 . . . . . . A 82 VAL HG23 . 25153 1 1012 . 1 1 82 82 VAL C C 13 172.724 . . . . . . A 82 VAL C . 25153 1 1013 . 1 1 82 82 VAL CA C 13 60.410 . . . . . . A 82 VAL CA . 25153 1 1014 . 1 1 82 82 VAL CB C 13 35.400 . . . . . . A 82 VAL CB . 25153 1 1015 . 1 1 82 82 VAL CG1 C 13 22.050 . . . . . . A 82 VAL CG1 . 25153 1 1016 . 1 1 82 82 VAL CG2 C 13 23.000 . . . . . . A 82 VAL CG2 . 25153 1 1017 . 1 1 82 82 VAL N N 15 127.840 . . . . . . A 82 VAL N . 25153 1 1018 . 1 1 83 83 ALA H H 1 9.300 . . . . . . A 83 ALA H . 25153 1 1019 . 1 1 83 83 ALA HA H 1 5.382 . . . . . . A 83 ALA HA . 25153 1 1020 . 1 1 83 83 ALA HB1 H 1 1.360 . . . . . . A 83 ALA HB1 . 25153 1 1021 . 1 1 83 83 ALA HB2 H 1 1.360 . . . . . . A 83 ALA HB2 . 25153 1 1022 . 1 1 83 83 ALA HB3 H 1 1.360 . . . . . . A 83 ALA HB3 . 25153 1 1023 . 1 1 83 83 ALA C C 13 175.750 . . . . . . A 83 ALA C . 25153 1 1024 . 1 1 83 83 ALA CA C 13 49.870 . . . . . . A 83 ALA CA . 25153 1 1025 . 1 1 83 83 ALA CB C 13 23.450 . . . . . . A 83 ALA CB . 25153 1 1026 . 1 1 83 83 ALA N N 15 131.347 . . . . . . A 83 ALA N . 25153 1 1027 . 1 1 84 84 LEU H H 1 10.287 . . . . . . A 84 LEU H . 25153 1 1028 . 1 1 84 84 LEU HA H 1 5.520 . . . . . . A 84 LEU HA . 25153 1 1029 . 1 1 84 84 LEU HB2 H 1 2.110 . . . . . . A 84 LEU HB2 . 25153 1 1030 . 1 1 84 84 LEU HB3 H 1 1.310 . . . . . . A 84 LEU HB3 . 25153 1 1031 . 1 1 84 84 LEU HG H 1 2.285 . . . . . . A 84 LEU HG . 25153 1 1032 . 1 1 84 84 LEU HD11 H 1 0.940 . . . . . . A 84 LEU HD11 . 25153 1 1033 . 1 1 84 84 LEU HD12 H 1 0.940 . . . . . . A 84 LEU HD12 . 25153 1 1034 . 1 1 84 84 LEU HD13 H 1 0.940 . . . . . . A 84 LEU HD13 . 25153 1 1035 . 1 1 84 84 LEU HD21 H 1 0.970 . . . . . . A 84 LEU HD21 . 25153 1 1036 . 1 1 84 84 LEU HD22 H 1 0.970 . . . . . . A 84 LEU HD22 . 25153 1 1037 . 1 1 84 84 LEU HD23 H 1 0.970 . . . . . . A 84 LEU HD23 . 25153 1 1038 . 1 1 84 84 LEU C C 13 175.760 . . . . . . A 84 LEU C . 25153 1 1039 . 1 1 84 84 LEU CA C 13 53.500 . . . . . . A 84 LEU CA . 25153 1 1040 . 1 1 84 84 LEU CB C 13 44.900 . . . . . . A 84 LEU CB . 25153 1 1041 . 1 1 84 84 LEU CG C 13 26.680 . . . . . . A 84 LEU CG . 25153 1 1042 . 1 1 84 84 LEU CD1 C 13 26.510 . . . . . . A 84 LEU CD1 . 25153 1 1043 . 1 1 84 84 LEU CD2 C 13 26.400 . . . . . . A 84 LEU CD2 . 25153 1 1044 . 1 1 84 84 LEU N N 15 124.200 . . . . . . A 84 LEU N . 25153 1 1045 . 1 1 85 85 TYR H H 1 9.257 . . . . . . A 85 TYR H . 25153 1 1046 . 1 1 85 85 TYR HA H 1 4.960 . . . . . . A 85 TYR HA . 25153 1 1047 . 1 1 85 85 TYR HB2 H 1 2.060 . . . . . . A 85 TYR HB2 . 25153 1 1048 . 1 1 85 85 TYR HD1 H 1 6.780 . . . . . . A 85 TYR HD1 . 25153 1 1049 . 1 1 85 85 TYR HE1 H 1 6.402 . . . . . . A 85 TYR HE1 . 25153 1 1050 . 1 1 85 85 TYR C C 13 172.372 . . . . . . A 85 TYR C . 25153 1 1051 . 1 1 85 85 TYR CA C 13 56.100 . . . . . . A 85 TYR CA . 25153 1 1052 . 1 1 85 85 TYR CB C 13 43.030 . . . . . . A 85 TYR CB . 25153 1 1053 . 1 1 85 85 TYR CD1 C 13 133.330 . . . . . . A 85 TYR CD1 . 25153 1 1054 . 1 1 85 85 TYR CE1 C 13 116.860 . . . . . . A 85 TYR CE1 . 25153 1 1055 . 1 1 85 85 TYR N N 15 115.912 . . . . . . A 85 TYR N . 25153 1 1056 . 1 1 86 86 GLY H H 1 9.027 . . . . . . A 86 GLY H . 25153 1 1057 . 1 1 86 86 GLY HA2 H 1 5.032 . . . . . . A 86 GLY HA2 . 25153 1 1058 . 1 1 86 86 GLY HA3 H 1 3.050 . . . . . . A 86 GLY HA3 . 25153 1 1059 . 1 1 86 86 GLY C C 13 170.330 . . . . . . A 86 GLY C . 25153 1 1060 . 1 1 86 86 GLY CA C 13 44.370 . . . . . . A 86 GLY CA . 25153 1 1061 . 1 1 86 86 GLY N N 15 107.800 . . . . . . A 86 GLY N . 25153 1 1062 . 1 1 87 87 LEU H H 1 6.580 . . . . . . A 87 LEU H . 25153 1 1063 . 1 1 87 87 LEU HA H 1 5.465 . . . . . . A 87 LEU HA . 25153 1 1064 . 1 1 87 87 LEU HB2 H 1 1.963 . . . . . . A 87 LEU HB2 . 25153 1 1065 . 1 1 87 87 LEU HB3 H 1 1.310 . . . . . . A 87 LEU HB3 . 25153 1 1066 . 1 1 87 87 LEU HG H 1 1.945 . . . . . . A 87 LEU HG . 25153 1 1067 . 1 1 87 87 LEU HD11 H 1 0.985 . . . . . . A 87 LEU HD11 . 25153 1 1068 . 1 1 87 87 LEU HD12 H 1 0.985 . . . . . . A 87 LEU HD12 . 25153 1 1069 . 1 1 87 87 LEU HD13 H 1 0.985 . . . . . . A 87 LEU HD13 . 25153 1 1070 . 1 1 87 87 LEU HD21 H 1 1.002 . . . . . . A 87 LEU HD21 . 25153 1 1071 . 1 1 87 87 LEU HD22 H 1 1.002 . . . . . . A 87 LEU HD22 . 25153 1 1072 . 1 1 87 87 LEU HD23 H 1 1.002 . . . . . . A 87 LEU HD23 . 25153 1 1073 . 1 1 87 87 LEU C C 13 178.100 . . . . . . A 87 LEU C . 25153 1 1074 . 1 1 87 87 LEU CA C 13 53.590 . . . . . . A 87 LEU CA . 25153 1 1075 . 1 1 87 87 LEU CB C 13 45.340 . . . . . . A 87 LEU CB . 25153 1 1076 . 1 1 87 87 LEU CG C 13 31.654 . . . . . . A 87 LEU CG . 25153 1 1077 . 1 1 87 87 LEU CD1 C 13 27.134 . . . . . . A 87 LEU CD1 . 25153 1 1078 . 1 1 87 87 LEU CD2 C 13 24.387 . . . . . . A 87 LEU CD2 . 25153 1 1079 . 1 1 87 87 LEU N N 15 123.458 . . . . . . A 87 LEU N . 25153 1 1080 . 1 1 88 88 GLY H H 1 8.070 . . . . . . A 88 GLY H . 25153 1 1081 . 1 1 88 88 GLY HA2 H 1 5.310 . . . . . . A 88 GLY HA2 . 25153 1 1082 . 1 1 88 88 GLY HA3 H 1 4.418 . . . . . . A 88 GLY HA3 . 25153 1 1083 . 1 1 88 88 GLY C C 13 172.820 . . . . . . A 88 GLY C . 25153 1 1084 . 1 1 88 88 GLY CA C 13 46.660 . . . . . . A 88 GLY CA . 25153 1 1085 . 1 1 88 88 GLY N N 15 108.966 . . . . . . A 88 GLY N . 25153 1 1086 . 1 1 89 89 ASP H H 1 8.416 . . . . . . A 89 ASP HN . 25153 1 1087 . 1 1 89 89 ASP HA H 1 5.246 . . . . . . A 89 ASP HA . 25153 1 1088 . 1 1 89 89 ASP HB2 H 1 3.010 . . . . . . A 89 ASP HB2 . 25153 1 1089 . 1 1 89 89 ASP HB3 H 1 2.690 . . . . . . A 89 ASP HB3 . 25153 1 1090 . 1 1 89 89 ASP C C 13 176.220 . . . . . . A 89 ASP C . 25153 1 1091 . 1 1 89 89 ASP CA C 13 52.470 . . . . . . A 89 ASP CA . 25153 1 1092 . 1 1 89 89 ASP CB C 13 42.480 . . . . . . A 89 ASP CB . 25153 1 1093 . 1 1 89 89 ASP N N 15 121.150 . . . . . . A 89 ASP N . 25153 1 1094 . 1 1 90 90 GLN H H 1 8.623 . . . . . . A 90 GLN H . 25153 1 1095 . 1 1 90 90 GLN HA H 1 3.488 . . . . . . A 90 GLN HA . 25153 1 1096 . 1 1 90 90 GLN HB2 H 1 2.464 . . . . . . A 90 GLN HB2 . 25153 1 1097 . 1 1 90 90 GLN HB3 H 1 0.299 . . . . . . A 90 GLN HB3 . 25153 1 1098 . 1 1 90 90 GLN HG2 H 1 1.991 . . . . . . A 90 GLN HG2 . 25153 1 1099 . 1 1 90 90 GLN HG3 H 1 2.254 . . . . . . A 90 GLN HG3 . 25153 1 1100 . 1 1 90 90 GLN HE21 H 1 9.014 . . . . . . A 90 GLN HE21 . 25153 1 1101 . 1 1 90 90 GLN HE22 H 1 6.106 . . . . . . A 90 GLN HE22 . 25153 1 1102 . 1 1 90 90 GLN C C 13 173.646 . . . . . . A 90 GLN C . 25153 1 1103 . 1 1 90 90 GLN CA C 13 58.310 . . . . . . A 90 GLN CA . 25153 1 1104 . 1 1 90 90 GLN CB C 13 28.210 . . . . . . A 90 GLN CB . 25153 1 1105 . 1 1 90 90 GLN CG C 13 33.880 . . . . . . A 90 GLN CG . 25153 1 1106 . 1 1 90 90 GLN N N 15 123.970 . . . . . . A 90 GLN N . 25153 1 1107 . 1 1 90 90 GLN NE2 N 15 109.960 . . . . . . A 90 GLN NE2 . 25153 1 1108 . 1 1 91 91 LEU H H 1 7.046 . . . . . . A 91 LEU H . 25153 1 1109 . 1 1 91 91 LEU HA H 1 4.375 . . . . . . A 91 LEU HA . 25153 1 1110 . 1 1 91 91 LEU HB2 H 1 1.611 . . . . . . A 91 LEU HB2 . 25153 1 1111 . 1 1 91 91 LEU HB3 H 1 1.475 . . . . . . A 91 LEU HB3 . 25153 1 1112 . 1 1 91 91 LEU HG H 1 1.430 . . . . . . A 91 LEU HG . 25153 1 1113 . 1 1 91 91 LEU HD11 H 1 0.852 . . . . . . A 91 LEU HD11 . 25153 1 1114 . 1 1 91 91 LEU HD12 H 1 0.852 . . . . . . A 91 LEU HD12 . 25153 1 1115 . 1 1 91 91 LEU HD13 H 1 0.852 . . . . . . A 91 LEU HD13 . 25153 1 1116 . 1 1 91 91 LEU HD21 H 1 0.790 . . . . . . A 91 LEU HD21 . 25153 1 1117 . 1 1 91 91 LEU HD22 H 1 0.790 . . . . . . A 91 LEU HD22 . 25153 1 1118 . 1 1 91 91 LEU HD23 H 1 0.790 . . . . . . A 91 LEU HD23 . 25153 1 1119 . 1 1 91 91 LEU C C 13 180.160 . . . . . . A 91 LEU C . 25153 1 1120 . 1 1 91 91 LEU CA C 13 56.060 . . . . . . A 91 LEU CA . 25153 1 1121 . 1 1 91 91 LEU CB C 13 41.550 . . . . . . A 91 LEU CB . 25153 1 1122 . 1 1 91 91 LEU CG C 13 27.526 . . . . . . A 91 LEU CG . 25153 1 1123 . 1 1 91 91 LEU CD1 C 13 24.736 . . . . . . A 91 LEU CD1 . 25153 1 1124 . 1 1 91 91 LEU CD2 C 13 22.633 . . . . . . A 91 LEU CD2 . 25153 1 1125 . 1 1 91 91 LEU N N 15 118.017 . . . . . . A 91 LEU N . 25153 1 1126 . 1 1 92 92 GLY H H 1 9.238 . . . . . . A 92 GLY H . 25153 1 1127 . 1 1 92 92 GLY HA2 H 1 3.677 . . . . . . A 92 GLY HA2 . 25153 1 1128 . 1 1 92 92 GLY HA3 H 1 3.121 . . . . . . A 92 GLY HA3 . 25153 1 1129 . 1 1 92 92 GLY C C 13 174.912 . . . . . . A 92 GLY C . 25153 1 1130 . 1 1 92 92 GLY CA C 13 46.180 . . . . . . A 92 GLY CA . 25153 1 1131 . 1 1 92 92 GLY N N 15 110.028 . . . . . . A 92 GLY N . 25153 1 1132 . 1 1 93 93 TYR H H 1 6.962 . . . . . . A 93 TYR H . 25153 1 1133 . 1 1 93 93 TYR HA H 1 5.009 . . . . . . A 93 TYR HA . 25153 1 1134 . 1 1 93 93 TYR HB2 H 1 3.310 . . . . . . A 93 TYR HB2 . 25153 1 1135 . 1 1 93 93 TYR HB3 H 1 2.668 . . . . . . A 93 TYR HB3 . 25153 1 1136 . 1 1 93 93 TYR HD1 H 1 6.360 . . . . . . A 93 TYR HD1 . 25153 1 1137 . 1 1 93 93 TYR HE1 H 1 7.460 . . . . . . A 93 TYR HE1 . 25153 1 1138 . 1 1 93 93 TYR C C 13 176.850 . . . . . . A 93 TYR C . 25153 1 1139 . 1 1 93 93 TYR CA C 13 56.730 . . . . . . A 93 TYR CA . 25153 1 1140 . 1 1 93 93 TYR CB C 13 38.130 . . . . . . A 93 TYR CB . 25153 1 1141 . 1 1 93 93 TYR CD1 C 13 132.628 . . . . . . A 93 TYR CD1 . 25153 1 1142 . 1 1 93 93 TYR CE1 C 13 119.715 . . . . . . A 93 TYR CE1 . 25153 1 1143 . 1 1 93 93 TYR N N 15 115.910 . . . . . . A 93 TYR N . 25153 1 1144 . 1 1 94 94 GLY H H 1 7.835 . . . . . . A 94 GLY H . 25153 1 1145 . 1 1 94 94 GLY HA2 H 1 4.307 . . . . . . A 94 GLY HA2 . 25153 1 1146 . 1 1 94 94 GLY HA3 H 1 4.000 . . . . . . A 94 GLY HA3 . 25153 1 1147 . 1 1 94 94 GLY C C 13 177.777 . . . . . . A 94 GLY C . 25153 1 1148 . 1 1 94 94 GLY CA C 13 50.030 . . . . . . A 94 GLY CA . 25153 1 1149 . 1 1 94 94 GLY N N 15 111.630 . . . . . . A 94 GLY N . 25153 1 1150 . 1 1 95 95 GLU H H 1 8.570 . . . . . . A 95 GLU HN . 25153 1 1151 . 1 1 95 95 GLU HA H 1 3.918 . . . . . . A 95 GLU HA . 25153 1 1152 . 1 1 95 95 GLU HB2 H 1 0.450 . . . . . . A 95 GLU HB2 . 25153 1 1153 . 1 1 95 95 GLU HB3 H 1 0.375 . . . . . . A 95 GLU HB3 . 25153 1 1154 . 1 1 95 95 GLU HG2 H 1 1.457 . . . . . . A 95 GLU HG2 . 25153 1 1155 . 1 1 95 95 GLU HG3 H 1 1.643 . . . . . . A 95 GLU HG3 . 25153 1 1156 . 1 1 95 95 GLU C C 13 175.300 . . . . . . A 95 GLU C . 25153 1 1157 . 1 1 95 95 GLU CA C 13 58.100 . . . . . . A 95 GLU CA . 25153 1 1158 . 1 1 95 95 GLU CB C 13 27.511 . . . . . . A 95 GLU CB . 25153 1 1159 . 1 1 95 95 GLU CG C 13 36.240 . . . . . . A 95 GLU CG . 25153 1 1160 . 1 1 95 95 GLU N N 15 122.450 . . . . . . A 95 GLU N . 25153 1 1161 . 1 1 96 96 TRP H H 1 8.070 . . . . . . A 96 TRP H . 25153 1 1162 . 1 1 96 96 TRP HA H 1 5.444 . . . . . . A 96 TRP HA . 25153 1 1163 . 1 1 96 96 TRP HB2 H 1 3.681 . . . . . . A 96 TRP HB2 . 25153 1 1164 . 1 1 96 96 TRP HB3 H 1 3.263 . . . . . . A 96 TRP HB3 . 25153 1 1165 . 1 1 96 96 TRP HD1 H 1 7.346 . . . . . . A 96 TRP HD1 . 25153 1 1166 . 1 1 96 96 TRP HE1 H 1 10.096 . . . . . . A 96 TRP HE3 . 25153 1 1167 . 1 1 96 96 TRP HE3 H 1 7.473 . . . . . . A 96 TRP HE3 . 25153 1 1168 . 1 1 96 96 TRP HZ2 H 1 7.525 . . . . . . A 96 TRP HZ2 . 25153 1 1169 . 1 1 96 96 TRP C C 13 179.280 . . . . . . A 96 TRP C . 25153 1 1170 . 1 1 96 96 TRP CA C 13 57.015 . . . . . . A 96 TRP CA . 25153 1 1171 . 1 1 96 96 TRP CB C 13 30.020 . . . . . . A 96 TRP CB . 25153 1 1172 . 1 1 96 96 TRP CD1 C 13 128.300 . . . . . . A 96 TRP CD1 . 25153 1 1173 . 1 1 96 96 TRP CE3 C 13 119.600 . . . . . . A 96 TRP CE3 . 25153 1 1174 . 1 1 96 96 TRP CZ2 C 13 115.850 . . . . . . A 96 TRP CZ2 . 25153 1 1175 . 1 1 96 96 TRP N N 15 118.790 . . . . . . A 96 TRP N . 25153 1 1176 . 1 1 96 96 TRP NE1 N 15 130.132 . . . . . . A 96 TRP NE1 . 25153 1 1177 . 1 1 97 97 PHE H H 1 7.165 . . . . . . A 97 PHE H . 25153 1 1178 . 1 1 97 97 PHE HA H 1 5.305 . . . . . . A 97 PHE HA . 25153 1 1179 . 1 1 97 97 PHE HB2 H 1 3.420 . . . . . . A 97 PHE HB2 . 25153 1 1180 . 1 1 97 97 PHE HB3 H 1 3.056 . . . . . . A 97 PHE HB3 . 25153 1 1181 . 1 1 97 97 PHE HD1 H 1 6.354 . . . . . . A 97 PHE HD1 . 25153 1 1182 . 1 1 97 97 PHE HE1 H 1 6.590 . . . . . . A 97 PHE HE1 . 25153 1 1183 . 1 1 97 97 PHE HZ H 1 6.835 . . . . . . A 97 PHE HZ . 25153 1 1184 . 1 1 97 97 PHE C C 13 173.227 . . . . . . A 97 PHE C . 25153 1 1185 . 1 1 97 97 PHE CA C 13 56.720 . . . . . . A 97 PHE CA . 25153 1 1186 . 1 1 97 97 PHE CB C 13 39.940 . . . . . . A 97 PHE CB . 25153 1 1187 . 1 1 97 97 PHE CD1 C 13 133.000 . . . . . . A 97 PHE CD1 . 25153 1 1188 . 1 1 97 97 PHE CE1 C 13 131.500 . . . . . . A 97 PHE CE1 . 25153 1 1189 . 1 1 97 97 PHE CZ C 13 128.600 . . . . . . A 97 PHE CZ . 25153 1 1190 . 1 1 97 97 PHE N N 15 128.067 . . . . . . A 97 PHE N . 25153 1 1191 . 1 1 98 98 LEU H H 1 7.453 . . . . . . A 98 LEU H . 25153 1 1192 . 1 1 98 98 LEU HA H 1 3.490 . . . . . . A 98 LEU HA . 25153 1 1193 . 1 1 98 98 LEU HB2 H 1 1.325 . . . . . . A 98 LEU HB2 . 25153 1 1194 . 1 1 98 98 LEU HB3 H 1 1.080 . . . . . . A 98 LEU HB3 . 25153 1 1195 . 1 1 98 98 LEU HG H 1 -0.575 . . . . . . A 98 LEU HG . 25153 1 1196 . 1 1 98 98 LEU HD11 H 1 -1.063 . . . . . . A 98 LEU HD11 . 25153 1 1197 . 1 1 98 98 LEU HD12 H 1 -1.063 . . . . . . A 98 LEU HD12 . 25153 1 1198 . 1 1 98 98 LEU HD13 H 1 -1.063 . . . . . . A 98 LEU HD13 . 25153 1 1199 . 1 1 98 98 LEU HD21 H 1 -0.113 . . . . . . A 98 LEU HD21 . 25153 1 1200 . 1 1 98 98 LEU HD22 H 1 -0.113 . . . . . . A 98 LEU HD22 . 25153 1 1201 . 1 1 98 98 LEU HD23 H 1 -0.113 . . . . . . A 98 LEU HD23 . 25153 1 1202 . 1 1 98 98 LEU C C 13 179.365 . . . . . . A 98 LEU C . 25153 1 1203 . 1 1 98 98 LEU CA C 13 55.460 . . . . . . A 98 LEU CA . 25153 1 1204 . 1 1 98 98 LEU CB C 13 38.230 . . . . . . A 98 LEU CB . 25153 1 1205 . 1 1 98 98 LEU CG C 13 27.253 . . . . . . A 98 LEU CG . 25153 1 1206 . 1 1 98 98 LEU CD1 C 13 24.350 . . . . . . A 98 LEU CD1 . 25153 1 1207 . 1 1 98 98 LEU CD2 C 13 23.300 . . . . . . A 98 LEU CD2 . 25153 1 1208 . 1 1 98 98 LEU N N 15 114.306 . . . . . . A 98 LEU N . 25153 1 1209 . 1 1 99 99 ASP H H 1 7.768 . . . . . . A 99 ASP HN . 25153 1 1210 . 1 1 99 99 ASP HA H 1 3.933 . . . . . . A 99 ASP HA . 25153 1 1211 . 1 1 99 99 ASP HB2 H 1 2.616 . . . . . . A 99 ASP HB2 . 25153 1 1212 . 1 1 99 99 ASP HB3 H 1 2.433 . . . . . . A 99 ASP HB3 . 25153 1 1213 . 1 1 99 99 ASP C C 13 178.800 . . . . . . A 99 ASP C . 25153 1 1214 . 1 1 99 99 ASP CA C 13 59.180 . . . . . . A 99 ASP CA . 25153 1 1215 . 1 1 99 99 ASP CB C 13 40.430 . . . . . . A 99 ASP CB . 25153 1 1216 . 1 1 99 99 ASP N N 15 122.354 . . . . . . A 99 ASP N . 25153 1 1217 . 1 1 100 100 ALA H H 1 8.682 . . . . . . A 100 ALA H . 25153 1 1218 . 1 1 100 100 ALA HA H 1 3.840 . . . . . . A 100 ALA HA . 25153 1 1219 . 1 1 100 100 ALA HB1 H 1 1.106 . . . . . . A 100 ALA HB1 . 25153 1 1220 . 1 1 100 100 ALA HB2 H 1 1.106 . . . . . . A 100 ALA HB2 . 25153 1 1221 . 1 1 100 100 ALA HB3 H 1 1.106 . . . . . . A 100 ALA HB3 . 25153 1 1222 . 1 1 100 100 ALA C C 13 178.500 . . . . . . A 100 ALA C . 25153 1 1223 . 1 1 100 100 ALA CA C 13 54.916 . . . . . . A 100 ALA CA . 25153 1 1224 . 1 1 100 100 ALA CB C 13 19.660 . . . . . . A 100 ALA CB . 25153 1 1225 . 1 1 100 100 ALA N N 15 118.568 . . . . . . A 100 ALA N . 25153 1 1226 . 1 1 101 101 LEU H H 1 6.637 . . . . . . A 101 LEU H . 25153 1 1227 . 1 1 101 101 LEU HA H 1 3.680 . . . . . . A 101 LEU HA . 25153 1 1228 . 1 1 101 101 LEU HB2 H 1 2.090 . . . . . . A 101 LEU HB2 . 25153 1 1229 . 1 1 101 101 LEU HB3 H 1 0.996 . . . . . . A 101 LEU HB3 . 25153 1 1230 . 1 1 101 101 LEU HG H 1 1.152 . . . . . . A 101 LEU HG . 25153 1 1231 . 1 1 101 101 LEU HD11 H 1 0.510 . . . . . . A 101 LEU HD11 . 25153 1 1232 . 1 1 101 101 LEU HD12 H 1 0.510 . . . . . . A 101 LEU HD12 . 25153 1 1233 . 1 1 101 101 LEU HD13 H 1 0.510 . . . . . . A 101 LEU HD13 . 25153 1 1234 . 1 1 101 101 LEU HD21 H 1 0.340 . . . . . . A 101 LEU HD21 . 25153 1 1235 . 1 1 101 101 LEU HD22 H 1 0.340 . . . . . . A 101 LEU HD22 . 25153 1 1236 . 1 1 101 101 LEU HD23 H 1 0.340 . . . . . . A 101 LEU HD23 . 25153 1 1237 . 1 1 101 101 LEU C C 13 178.930 . . . . . . A 101 LEU C . 25153 1 1238 . 1 1 101 101 LEU CA C 13 57.700 . . . . . . A 101 LEU CA . 25153 1 1239 . 1 1 101 101 LEU CB C 13 42.400 . . . . . . A 101 LEU CB . 25153 1 1240 . 1 1 101 101 LEU CG C 13 25.640 . . . . . . A 101 LEU CG . 25153 1 1241 . 1 1 101 101 LEU CD1 C 13 25.700 . . . . . . A 101 LEU CD1 . 25153 1 1242 . 1 1 101 101 LEU CD2 C 13 25.700 . . . . . . A 101 LEU CD2 . 25153 1 1243 . 1 1 101 101 LEU N N 15 118.815 . . . . . . A 101 LEU N . 25153 1 1244 . 1 1 102 102 GLY H H 1 7.330 . . . . . . A 102 GLY H . 25153 1 1245 . 1 1 102 102 GLY HA2 H 1 3.587 . . . . . . A 102 GLY HA2 . 25153 1 1246 . 1 1 102 102 GLY C C 13 175.530 . . . . . . A 102 GLY C . 25153 1 1247 . 1 1 102 102 GLY CA C 13 48.000 . . . . . . A 102 GLY CA . 25153 1 1248 . 1 1 102 102 GLY N N 15 103.700 . . . . . . A 102 GLY N . 25153 1 1249 . 1 1 103 103 MET H H 1 8.407 . . . . . . A 103 MET H . 25153 1 1250 . 1 1 103 103 MET HA H 1 4.254 . . . . . . A 103 MET HA . 25153 1 1251 . 1 1 103 103 MET HB2 H 1 2.242 . . . . . . A 103 MET HB2 . 25153 1 1252 . 1 1 103 103 MET HB3 H 1 2.062 . . . . . . A 103 MET HB3 . 25153 1 1253 . 1 1 103 103 MET HG2 H 1 2.725 . . . . . . A 103 MET HG2 . 25153 1 1254 . 1 1 103 103 MET HE1 H 1 2.026 . . . . . . A 103 MET HE1 . 25153 1 1255 . 1 1 103 103 MET HE2 H 1 2.026 . . . . . . A 103 MET HE2 . 25153 1 1256 . 1 1 103 103 MET HE3 H 1 2.026 . . . . . . A 103 MET HE3 . 25153 1 1257 . 1 1 103 103 MET C C 13 179.688 . . . . . . A 103 MET C . 25153 1 1258 . 1 1 103 103 MET CA C 13 59.615 . . . . . . A 103 MET CA . 25153 1 1259 . 1 1 103 103 MET CB C 13 33.290 . . . . . . A 103 MET CB . 25153 1 1260 . 1 1 103 103 MET CG C 13 32.400 . . . . . . A 103 MET CG . 25153 1 1261 . 1 1 103 103 MET CE C 13 17.280 . . . . . . A 103 MET CE . 25153 1 1262 . 1 1 103 103 MET N N 15 120.330 . . . . . . A 103 MET N . 25153 1 1263 . 1 1 104 104 LEU H H 1 8.330 . . . . . . A 104 LEU H . 25153 1 1264 . 1 1 104 104 LEU HA H 1 4.196 . . . . . . A 104 LEU HA . 25153 1 1265 . 1 1 104 104 LEU HB2 H 1 1.332 . . . . . . A 104 LEU HB2 . 25153 1 1266 . 1 1 104 104 LEU HB3 H 1 1.905 . . . . . . A 104 LEU HB3 . 25153 1 1267 . 1 1 104 104 LEU HG H 1 1.312 . . . . . . A 104 LEU HG . 25153 1 1268 . 1 1 104 104 LEU HD11 H 1 0.392 . . . . . . A 104 LEU HD11 . 25153 1 1269 . 1 1 104 104 LEU HD12 H 1 0.392 . . . . . . A 104 LEU HD12 . 25153 1 1270 . 1 1 104 104 LEU HD13 H 1 0.392 . . . . . . A 104 LEU HD13 . 25153 1 1271 . 1 1 104 104 LEU HD21 H 1 0.206 . . . . . . A 104 LEU HD21 . 25153 1 1272 . 1 1 104 104 LEU HD22 H 1 0.206 . . . . . . A 104 LEU HD22 . 25153 1 1273 . 1 1 104 104 LEU HD23 H 1 0.206 . . . . . . A 104 LEU HD23 . 25153 1 1274 . 1 1 104 104 LEU C C 13 177.620 . . . . . . A 104 LEU C . 25153 1 1275 . 1 1 104 104 LEU CA C 13 57.970 . . . . . . A 104 LEU CA . 25153 1 1276 . 1 1 104 104 LEU CB C 13 41.300 . . . . . . A 104 LEU CB . 25153 1 1277 . 1 1 104 104 LEU CG C 13 26.810 . . . . . . A 104 LEU CG . 25153 1 1278 . 1 1 104 104 LEU CD1 C 13 22.360 . . . . . . A 104 LEU CD1 . 25153 1 1279 . 1 1 104 104 LEU CD2 C 13 27.050 . . . . . . A 104 LEU CD2 . 25153 1 1280 . 1 1 104 104 LEU N N 15 123.450 . . . . . . A 104 LEU N . 25153 1 1281 . 1 1 105 105 HIS H H 1 8.050 . . . . . . A 105 HIS H . 25153 1 1282 . 1 1 105 105 HIS HA H 1 3.877 . . . . . . A 105 HIS HA . 25153 1 1283 . 1 1 105 105 HIS HB2 H 1 2.834 . . . . . . A 105 HIS HB2 . 25153 1 1284 . 1 1 105 105 HIS HB3 H 1 3.340 . . . . . . A 105 HIS HB3 . 25153 1 1285 . 1 1 105 105 HIS HD2 H 1 5.960 . . . . . . A 105 HIS HD2 . 25153 1 1286 . 1 1 105 105 HIS HE1 H 1 6.207 . . . . . . A 105 HIS HE1 . 25153 1 1287 . 1 1 105 105 HIS C C 13 177.100 . . . . . . A 105 HIS C . 25153 1 1288 . 1 1 105 105 HIS CA C 13 60.970 . . . . . . A 105 HIS CA . 25153 1 1289 . 1 1 105 105 HIS CB C 13 28.593 . . . . . . A 105 HIS CB . 25153 1 1290 . 1 1 105 105 HIS CD2 C 13 123.700 . . . . . . A 105 HIS CD2 . 25153 1 1291 . 1 1 105 105 HIS CE1 C 13 130.680 . . . . . . A 105 HIS CE1 . 25153 1 1292 . 1 1 105 105 HIS N N 15 119.040 . . . . . . A 105 HIS N . 25153 1 1293 . 1 1 106 106 ASP H H 1 8.636 . . . . . . A 106 ASP HN . 25153 1 1294 . 1 1 106 106 ASP HA H 1 4.330 . . . . . . A 106 ASP HA . 25153 1 1295 . 1 1 106 106 ASP HB2 H 1 2.900 . . . . . . A 106 ASP HB2 . 25153 1 1296 . 1 1 106 106 ASP HB3 H 1 2.823 . . . . . . A 106 ASP HB3 . 25153 1 1297 . 1 1 106 106 ASP C C 13 179.300 . . . . . . A 106 ASP C . 25153 1 1298 . 1 1 106 106 ASP CA C 13 57.810 . . . . . . A 106 ASP CA . 25153 1 1299 . 1 1 106 106 ASP CB C 13 40.400 . . . . . . A 106 ASP CB . 25153 1 1300 . 1 1 106 106 ASP N N 15 119.950 . . . . . . A 106 ASP N . 25153 1 1301 . 1 1 107 107 LYS H H 1 8.096 . . . . . . A 107 LYS HN . 25153 1 1302 . 1 1 107 107 LYS HA H 1 4.133 . . . . . . A 107 LYS HA . 25153 1 1303 . 1 1 107 107 LYS HB2 H 1 1.934 . . . . . . A 107 LYS HB2 . 25153 1 1304 . 1 1 107 107 LYS HB3 H 1 1.810 . . . . . . A 107 LYS HB3 . 25153 1 1305 . 1 1 107 107 LYS HG2 H 1 0.966 . . . . . . A 107 LYS HG2 . 25153 1 1306 . 1 1 107 107 LYS HG3 H 1 0.580 . . . . . . A 107 LYS HG3 . 25153 1 1307 . 1 1 107 107 LYS HD2 H 1 1.364 . . . . . . A 107 LYS HD2 . 25153 1 1308 . 1 1 107 107 LYS HD3 H 1 1.280 . . . . . . A 107 LYS HD3 . 25153 1 1309 . 1 1 107 107 LYS HE2 H 1 2.206 . . . . . . A 107 LYS HE2 . 25153 1 1310 . 1 1 107 107 LYS HE3 H 1 1.943 . . . . . . A 107 LYS HE3 . 25153 1 1311 . 1 1 107 107 LYS C C 13 178.100 . . . . . . A 107 LYS C . 25153 1 1312 . 1 1 107 107 LYS CA C 13 58.200 . . . . . . A 107 LYS CA . 25153 1 1313 . 1 1 107 107 LYS CB C 13 32.360 . . . . . . A 107 LYS CB . 25153 1 1314 . 1 1 107 107 LYS CG C 13 23.500 . . . . . . A 107 LYS CG . 25153 1 1315 . 1 1 107 107 LYS CD C 13 28.580 . . . . . . A 107 LYS CD . 25153 1 1316 . 1 1 107 107 LYS CE C 13 41.550 . . . . . . A 107 LYS CE . 25153 1 1317 . 1 1 107 107 LYS N N 15 122.060 . . . . . . A 107 LYS N . 25153 1 1318 . 1 1 108 108 LEU H H 1 7.828 . . . . . . A 108 LEU H . 25153 1 1319 . 1 1 108 108 LEU HA H 1 4.068 . . . . . . A 108 LEU HA . 25153 1 1320 . 1 1 108 108 LEU HB2 H 1 1.918 . . . . . . A 108 LEU HB2 . 25153 1 1321 . 1 1 108 108 LEU HB3 H 1 1.465 . . . . . . A 108 LEU HB3 . 25153 1 1322 . 1 1 108 108 LEU HG H 1 1.760 . . . . . . A 108 LEU HG . 25153 1 1323 . 1 1 108 108 LEU HD11 H 1 0.557 . . . . . . A 108 LEU HD11 . 25153 1 1324 . 1 1 108 108 LEU HD12 H 1 0.557 . . . . . . A 108 LEU HD12 . 25153 1 1325 . 1 1 108 108 LEU HD13 H 1 0.557 . . . . . . A 108 LEU HD13 . 25153 1 1326 . 1 1 108 108 LEU HD21 H 1 0.780 . . . . . . A 108 LEU HD21 . 25153 1 1327 . 1 1 108 108 LEU HD22 H 1 0.780 . . . . . . A 108 LEU HD22 . 25153 1 1328 . 1 1 108 108 LEU HD23 H 1 0.780 . . . . . . A 108 LEU HD23 . 25153 1 1329 . 1 1 108 108 LEU C C 13 178.866 . . . . . . A 108 LEU C . 25153 1 1330 . 1 1 108 108 LEU CA C 13 55.954 . . . . . . A 108 LEU CA . 25153 1 1331 . 1 1 108 108 LEU CB C 13 42.160 . . . . . . A 108 LEU CB . 25153 1 1332 . 1 1 108 108 LEU CG C 13 27.250 . . . . . . A 108 LEU CG . 25153 1 1333 . 1 1 108 108 LEU CD1 C 13 21.763 . . . . . . A 108 LEU CD1 . 25153 1 1334 . 1 1 108 108 LEU CD2 C 13 27.100 . . . . . . A 108 LEU CD2 . 25153 1 1335 . 1 1 108 108 LEU N N 15 115.610 . . . . . . A 108 LEU N . 25153 1 1336 . 1 1 109 109 SER H H 1 8.278 . . . . . . A 109 SER H . 25153 1 1337 . 1 1 109 109 SER HA H 1 4.299 . . . . . . A 109 SER HA . 25153 1 1338 . 1 1 109 109 SER HB2 H 1 4.117 . . . . . . A 109 SER HB2 . 25153 1 1339 . 1 1 109 109 SER HB3 H 1 4.048 . . . . . . A 109 SER HB3 . 25153 1 1340 . 1 1 109 109 SER C C 13 175.660 . . . . . . A 109 SER C . 25153 1 1341 . 1 1 109 109 SER CA C 13 62.350 . . . . . . A 109 SER CA . 25153 1 1342 . 1 1 109 109 SER CB C 13 62.815 . . . . . . A 109 SER CB . 25153 1 1343 . 1 1 109 109 SER N N 15 116.362 . . . . . . A 109 SER N . 25153 1 1344 . 1 1 110 110 THR H H 1 7.211 . . . . . . A 110 THR H . 25153 1 1345 . 1 1 110 110 THR HA H 1 4.615 . . . . . . A 110 THR HA . 25153 1 1346 . 1 1 110 110 THR HB H 1 4.595 . . . . . . A 110 THR HB . 25153 1 1347 . 1 1 110 110 THR HG21 H 1 1.322 . . . . . . A 110 THR HG21 . 25153 1 1348 . 1 1 110 110 THR HG22 H 1 1.322 . . . . . . A 110 THR HG22 . 25153 1 1349 . 1 1 110 110 THR HG23 H 1 1.322 . . . . . . A 110 THR HG23 . 25153 1 1350 . 1 1 110 110 THR C C 13 175.990 . . . . . . A 110 THR C . 25153 1 1351 . 1 1 110 110 THR CA C 13 62.090 . . . . . . A 110 THR CA . 25153 1 1352 . 1 1 110 110 THR CB C 13 68.800 . . . . . . A 110 THR CB . 25153 1 1353 . 1 1 110 110 THR CG2 C 13 21.752 . . . . . . A 110 THR CG2 . 25153 1 1354 . 1 1 110 110 THR N N 15 110.230 . . . . . . A 110 THR N . 25153 1 1355 . 1 1 111 111 LYS H H 1 7.682 . . . . . . A 111 LYS HN . 25153 1 1356 . 1 1 111 111 LYS HA H 1 4.512 . . . . . . A 111 LYS HA . 25153 1 1357 . 1 1 111 111 LYS HB2 H 1 2.160 . . . . . . A 111 LYS HB2 . 25153 1 1358 . 1 1 111 111 LYS HB3 H 1 1.816 . . . . . . A 111 LYS HB3 . 25153 1 1359 . 1 1 111 111 LYS HG2 H 1 1.526 . . . . . . A 111 LYS HG2 . 25153 1 1360 . 1 1 111 111 LYS HD2 H 1 1.743 . . . . . . A 111 LYS HD2 . 25153 1 1361 . 1 1 111 111 LYS HD3 H 1 1.563 . . . . . . A 111 LYS HD3 . 25153 1 1362 . 1 1 111 111 LYS HE2 H 1 3.102 . . . . . . A 111 LYS HE2 . 25153 1 1363 . 1 1 111 111 LYS C C 13 176.916 . . . . . . A 111 LYS C . 25153 1 1364 . 1 1 111 111 LYS CA C 13 55.654 . . . . . . A 111 LYS CA . 25153 1 1365 . 1 1 111 111 LYS CB C 13 30.843 . . . . . . A 111 LYS CB . 25153 1 1366 . 1 1 111 111 LYS CG C 13 23.700 . . . . . . A 111 LYS CG . 25153 1 1367 . 1 1 111 111 LYS CD C 13 27.320 . . . . . . A 111 LYS CD . 25153 1 1368 . 1 1 111 111 LYS CE C 13 40.700 . . . . . . A 111 LYS CE . 25153 1 1369 . 1 1 111 111 LYS N N 15 119.900 . . . . . . A 111 LYS N . 25153 1 1370 . 1 1 112 112 GLY H H 1 8.366 . . . . . . A 112 GLY H . 25153 1 1371 . 1 1 112 112 GLY HA2 H 1 4.041 . . . . . . A 112 GLY HA2 . 25153 1 1372 . 1 1 112 112 GLY HA3 H 1 3.900 . . . . . . A 112 GLY HA3 . 25153 1 1373 . 1 1 112 112 GLY C C 13 176.250 . . . . . . A 112 GLY C . 25153 1 1374 . 1 1 112 112 GLY CA C 13 47.040 . . . . . . A 112 GLY CA . 25153 1 1375 . 1 1 112 112 GLY N N 15 107.910 . . . . . . A 112 GLY N . 25153 1 1376 . 1 1 113 113 VAL H H 1 6.903 . . . . . . A 113 VAL H . 25153 1 1377 . 1 1 113 113 VAL HA H 1 4.474 . . . . . . A 113 VAL HA . 25153 1 1378 . 1 1 113 113 VAL HB H 1 1.765 . . . . . . A 113 VAL HB . 25153 1 1379 . 1 1 113 113 VAL HG11 H 1 -0.151 . . . . . . A 113 VAL HG11 . 25153 1 1380 . 1 1 113 113 VAL HG12 H 1 -0.151 . . . . . . A 113 VAL HG12 . 25153 1 1381 . 1 1 113 113 VAL HG13 H 1 -0.151 . . . . . . A 113 VAL HG13 . 25153 1 1382 . 1 1 113 113 VAL HG21 H 1 0.621 . . . . . . A 113 VAL HG21 . 25153 1 1383 . 1 1 113 113 VAL HG22 H 1 0.621 . . . . . . A 113 VAL HG22 . 25153 1 1384 . 1 1 113 113 VAL HG23 H 1 0.621 . . . . . . A 113 VAL HG23 . 25153 1 1385 . 1 1 113 113 VAL C C 13 174.630 . . . . . . A 113 VAL C . 25153 1 1386 . 1 1 113 113 VAL CA C 13 59.450 . . . . . . A 113 VAL CA . 25153 1 1387 . 1 1 113 113 VAL CB C 13 32.550 . . . . . . A 113 VAL CB . 25153 1 1388 . 1 1 113 113 VAL CG1 C 13 17.840 . . . . . . A 113 VAL CG1 . 25153 1 1389 . 1 1 113 113 VAL CG2 C 13 22.180 . . . . . . A 113 VAL CG2 . 25153 1 1390 . 1 1 113 113 VAL N N 15 113.530 . . . . . . A 113 VAL N . 25153 1 1391 . 1 1 114 114 LYS H H 1 8.503 . . . . . . A 114 LYS HN . 25153 1 1392 . 1 1 114 114 LYS HA H 1 4.505 . . . . . . A 114 LYS HA . 25153 1 1393 . 1 1 114 114 LYS HB2 H 1 1.480 . . . . . . A 114 LYS HB2 . 25153 1 1394 . 1 1 114 114 LYS HG2 H 1 1.061 . . . . . . A 114 LYS HG2 . 25153 1 1395 . 1 1 114 114 LYS HG3 H 1 1.148 . . . . . . A 114 LYS HG3 . 25153 1 1396 . 1 1 114 114 LYS HD2 H 1 1.463 . . . . . . A 114 LYS HD2 . 25153 1 1397 . 1 1 114 114 LYS HE2 H 1 2.840 . . . . . . A 114 LYS HE2 . 25153 1 1398 . 1 1 114 114 LYS C C 13 175.000 . . . . . . A 114 LYS C . 25153 1 1399 . 1 1 114 114 LYS CA C 13 54.200 . . . . . . A 114 LYS CA . 25153 1 1400 . 1 1 114 114 LYS CB C 13 33.340 . . . . . . A 114 LYS CB . 25153 1 1401 . 1 1 114 114 LYS CG C 13 24.720 . . . . . . A 114 LYS CG . 25153 1 1402 . 1 1 114 114 LYS CD C 13 29.140 . . . . . . A 114 LYS CD . 25153 1 1403 . 1 1 114 114 LYS CE C 13 42.300 . . . . . . A 114 LYS CE . 25153 1 1404 . 1 1 114 114 LYS N N 15 123.020 . . . . . . A 114 LYS N . 25153 1 1405 . 1 1 115 115 PHE H H 1 8.494 . . . . . . A 115 PHE H . 25153 1 1406 . 1 1 115 115 PHE HA H 1 5.713 . . . . . . A 115 PHE HA . 25153 1 1407 . 1 1 115 115 PHE HB2 H 1 3.141 . . . . . . A 115 PHE HB2 . 25153 1 1408 . 1 1 115 115 PHE HB3 H 1 2.912 . . . . . . A 115 PHE HB3 . 25153 1 1409 . 1 1 115 115 PHE HD1 H 1 7.524 . . . . . . A 115 PHE HD1 . 25153 1 1410 . 1 1 115 115 PHE HE1 H 1 6.933 . . . . . . A 115 PHE HE1 . 25153 1 1411 . 1 1 115 115 PHE HZ H 1 6.875 . . . . . . A 115 PHE HZ . 25153 1 1412 . 1 1 115 115 PHE C C 13 177.605 . . . . . . A 115 PHE C . 25153 1 1413 . 1 1 115 115 PHE CA C 13 58.610 . . . . . . A 115 PHE CA . 25153 1 1414 . 1 1 115 115 PHE CB C 13 41.000 . . . . . . A 115 PHE CB . 25153 1 1415 . 1 1 115 115 PHE CD1 C 13 132.714 . . . . . . A 115 PHE CD1 . 25153 1 1416 . 1 1 115 115 PHE CE1 C 13 129.930 . . . . . . A 115 PHE CE1 . 25153 1 1417 . 1 1 115 115 PHE N N 15 123.290 . . . . . . A 115 PHE N . 25153 1 1418 . 1 1 116 116 VAL H H 1 8.889 . . . . . . A 116 VAL H . 25153 1 1419 . 1 1 116 116 VAL HA H 1 4.492 . . . . . . A 116 VAL HA . 25153 1 1420 . 1 1 116 116 VAL HB H 1 2.371 . . . . . . A 116 VAL HB . 25153 1 1421 . 1 1 116 116 VAL HG11 H 1 0.735 . . . . . . A 116 VAL HG11 . 25153 1 1422 . 1 1 116 116 VAL HG12 H 1 0.735 . . . . . . A 116 VAL HG12 . 25153 1 1423 . 1 1 116 116 VAL HG13 H 1 0.735 . . . . . . A 116 VAL HG13 . 25153 1 1424 . 1 1 116 116 VAL HG21 H 1 0.581 . . . . . . A 116 VAL HG21 . 25153 1 1425 . 1 1 116 116 VAL HG22 H 1 0.581 . . . . . . A 116 VAL HG22 . 25153 1 1426 . 1 1 116 116 VAL HG23 H 1 0.581 . . . . . . A 116 VAL HG23 . 25153 1 1427 . 1 1 116 116 VAL C C 13 175.414 . . . . . . A 116 VAL C . 25153 1 1428 . 1 1 116 116 VAL CA C 13 58.986 . . . . . . A 116 VAL CA . 25153 1 1429 . 1 1 116 116 VAL CB C 13 34.100 . . . . . . A 116 VAL CB . 25153 1 1430 . 1 1 116 116 VAL CG1 C 13 22.520 . . . . . . A 116 VAL CG1 . 25153 1 1431 . 1 1 116 116 VAL CG2 C 13 18.300 . . . . . . A 116 VAL CG2 . 25153 1 1432 . 1 1 116 116 VAL N N 15 115.790 . . . . . . A 116 VAL N . 25153 1 1433 . 1 1 117 117 GLY H H 1 9.810 . . . . . . A 117 GLY H . 25153 1 1434 . 1 1 117 117 GLY HA2 H 1 4.293 . . . . . . A 117 GLY HA2 . 25153 1 1435 . 1 1 117 117 GLY HA3 H 1 3.692 . . . . . . A 117 GLY HA3 . 25153 1 1436 . 1 1 117 117 GLY C C 13 176.180 . . . . . . A 117 GLY C . 25153 1 1437 . 1 1 117 117 GLY CA C 13 47.800 . . . . . . A 117 GLY CA . 25153 1 1438 . 1 1 117 117 GLY N N 15 108.300 . . . . . . A 117 GLY N . 25153 1 1439 . 1 1 118 118 TYR H H 1 8.592 . . . . . . A 118 TYR H . 25153 1 1440 . 1 1 118 118 TYR HA H 1 4.954 . . . . . . A 118 TYR HA . 25153 1 1441 . 1 1 118 118 TYR HB2 H 1 3.236 . . . . . . A 118 TYR HB2 . 25153 1 1442 . 1 1 118 118 TYR HB3 H 1 3.090 . . . . . . A 118 TYR HB3 . 25153 1 1443 . 1 1 118 118 TYR HD2 H 1 6.986 . . . . . . A 118 TYR HD2 . 25153 1 1444 . 1 1 118 118 TYR HE2 H 1 6.683 . . . . . . A 118 TYR HE2 . 25153 1 1445 . 1 1 118 118 TYR C C 13 177.450 . . . . . . A 118 TYR C . 25153 1 1446 . 1 1 118 118 TYR CA C 13 56.240 . . . . . . A 118 TYR CA . 25153 1 1447 . 1 1 118 118 TYR CB C 13 36.110 . . . . . . A 118 TYR CB . 25153 1 1448 . 1 1 118 118 TYR CD2 C 13 131.500 . . . . . . A 118 TYR CD2 . 25153 1 1449 . 1 1 118 118 TYR CE2 C 13 118.090 . . . . . . A 118 TYR CE2 . 25153 1 1450 . 1 1 118 118 TYR N N 15 120.050 . . . . . . A 118 TYR N . 25153 1 1451 . 1 1 119 119 TRP H H 1 7.926 . . . . . . A 119 TRP H . 25153 1 1452 . 1 1 119 119 TRP HA H 1 6.028 . . . . . . A 119 TRP HA . 25153 1 1453 . 1 1 119 119 TRP HB2 H 1 3.610 . . . . . . A 119 TRP HB2 . 25153 1 1454 . 1 1 119 119 TRP HB3 H 1 3.220 . . . . . . A 119 TRP HB3 . 25153 1 1455 . 1 1 119 119 TRP HD1 H 1 7.334 . . . . . . A 119 TRP HD1 . 25153 1 1456 . 1 1 119 119 TRP HE1 H 1 10.112 . . . . . . A 119 TRP HE3 . 25153 1 1457 . 1 1 119 119 TRP HE3 H 1 8.308 . . . . . . A 119 TRP HE3 . 25153 1 1458 . 1 1 119 119 TRP HZ2 H 1 7.697 . . . . . . A 119 TRP HZ2 . 25153 1 1459 . 1 1 119 119 TRP C C 13 173.090 . . . . . . A 119 TRP C . 25153 1 1460 . 1 1 119 119 TRP CA C 13 53.900 . . . . . . A 119 TRP CA . 25153 1 1461 . 1 1 119 119 TRP CB C 13 36.250 . . . . . . A 119 TRP CB . 25153 1 1462 . 1 1 119 119 TRP CD1 C 13 126.200 . . . . . . A 119 TRP CD1 . 25153 1 1463 . 1 1 119 119 TRP CE3 C 13 121.900 . . . . . . A 119 TRP CE3 . 25153 1 1464 . 1 1 119 119 TRP CZ2 C 13 114.028 . . . . . . A 119 TRP CZ2 . 25153 1 1465 . 1 1 119 119 TRP N N 15 125.500 . . . . . . A 119 TRP N . 25153 1 1466 . 1 1 119 119 TRP NE1 N 15 128.474 . . . . . . A 119 TRP NE1 . 25153 1 1467 . 1 1 120 120 PRO HA H 1 4.810 . . . . . . A 120 PRO HA . 25153 1 1468 . 1 1 120 120 PRO HB2 H 1 2.527 . . . . . . A 120 PRO HB2 . 25153 1 1469 . 1 1 120 120 PRO HB3 H 1 1.860 . . . . . . A 120 PRO HB3 . 25153 1 1470 . 1 1 120 120 PRO HG2 H 1 1.706 . . . . . . A 120 PRO HG2 . 25153 1 1471 . 1 1 120 120 PRO HD2 H 1 3.800 . . . . . . A 120 PRO HD2 . 25153 1 1472 . 1 1 120 120 PRO HD3 H 1 2.208 . . . . . . A 120 PRO HD3 . 25153 1 1473 . 1 1 120 120 PRO CA C 13 63.680 . . . . . . A 120 PRO CA . 25153 1 1474 . 1 1 120 120 PRO CB C 13 32.250 . . . . . . A 120 PRO CB . 25153 1 1475 . 1 1 120 120 PRO CG C 13 27.900 . . . . . . A 120 PRO CG . 25153 1 1476 . 1 1 120 120 PRO CD C 13 51.350 . . . . . . A 120 PRO CD . 25153 1 1477 . 1 1 121 121 THR H H 1 7.356 . . . . . . A 121 THR H . 25153 1 1478 . 1 1 121 121 THR HA H 1 4.142 . . . . . . A 121 THR HA . 25153 1 1479 . 1 1 121 121 THR HB H 1 4.280 . . . . . . A 121 THR HB . 25153 1 1480 . 1 1 121 121 THR HG21 H 1 -0.132 . . . . . . A 121 THR HG21 . 25153 1 1481 . 1 1 121 121 THR HG22 H 1 -0.132 . . . . . . A 121 THR HG22 . 25153 1 1482 . 1 1 121 121 THR HG23 H 1 -0.132 . . . . . . A 121 THR HG23 . 25153 1 1483 . 1 1 121 121 THR C C 13 176.300 . . . . . . A 121 THR C . 25153 1 1484 . 1 1 121 121 THR CA C 13 61.230 . . . . . . A 121 THR CA . 25153 1 1485 . 1 1 121 121 THR CB C 13 69.890 . . . . . . A 121 THR CB . 25153 1 1486 . 1 1 121 121 THR CG2 C 13 21.000 . . . . . . A 121 THR CG2 . 25153 1 1487 . 1 1 121 121 THR N N 15 109.114 . . . . . . A 121 THR N . 25153 1 1488 . 1 1 122 122 GLU H H 1 7.265 . . . . . . A 122 GLU HN . 25153 1 1489 . 1 1 122 122 GLU HA H 1 4.238 . . . . . . A 122 GLU HA . 25153 1 1490 . 1 1 122 122 GLU HB2 H 1 2.070 . . . . . . A 122 GLU HB2 . 25153 1 1491 . 1 1 122 122 GLU HB3 H 1 1.950 . . . . . . A 122 GLU HB3 . 25153 1 1492 . 1 1 122 122 GLU HG2 H 1 2.300 . . . . . . A 122 GLU HG2 . 25153 1 1493 . 1 1 122 122 GLU C C 13 177.830 . . . . . . A 122 GLU C . 25153 1 1494 . 1 1 122 122 GLU CA C 13 58.230 . . . . . . A 122 GLU CA . 25153 1 1495 . 1 1 122 122 GLU CB C 13 29.770 . . . . . . A 122 GLU CB . 25153 1 1496 . 1 1 122 122 GLU CG C 13 35.800 . . . . . . A 122 GLU CG . 25153 1 1497 . 1 1 122 122 GLU N N 15 123.980 . . . . . . A 122 GLU N . 25153 1 1498 . 1 1 123 123 GLY H H 1 9.181 . . . . . . A 123 GLY H . 25153 1 1499 . 1 1 123 123 GLY HA2 H 1 3.649 . . . . . . A 123 GLY HA2 . 25153 1 1500 . 1 1 123 123 GLY HA3 H 1 4.236 . . . . . . A 123 GLY HA3 . 25153 1 1501 . 1 1 123 123 GLY C C 13 173.700 . . . . . . A 123 GLY C . 25153 1 1502 . 1 1 123 123 GLY CA C 13 45.400 . . . . . . A 123 GLY CA . 25153 1 1503 . 1 1 123 123 GLY N N 15 114.570 . . . . . . A 123 GLY N . 25153 1 1504 . 1 1 124 124 TYR H H 1 7.877 . . . . . . A 124 TYR H . 25153 1 1505 . 1 1 124 124 TYR HA H 1 5.310 . . . . . . A 124 TYR HA . 25153 1 1506 . 1 1 124 124 TYR HB2 H 1 3.418 . . . . . . A 124 TYR HB2 . 25153 1 1507 . 1 1 124 124 TYR HB3 H 1 2.855 . . . . . . A 124 TYR HB3 . 25153 1 1508 . 1 1 124 124 TYR HD1 H 1 7.000 . . . . . . A 124 TYR HD1 . 25153 1 1509 . 1 1 124 124 TYR HE1 H 1 7.380 . . . . . . A 124 TYR HE1 . 25153 1 1510 . 1 1 124 124 TYR C C 13 175.680 . . . . . . A 124 TYR C . 25153 1 1511 . 1 1 124 124 TYR CA C 13 56.470 . . . . . . A 124 TYR CA . 25153 1 1512 . 1 1 124 124 TYR CB C 13 41.000 . . . . . . A 124 TYR CB . 25153 1 1513 . 1 1 124 124 TYR N N 15 118.923 . . . . . . A 124 TYR N . 25153 1 1514 . 1 1 125 125 GLU H H 1 9.225 . . . . . . A 125 GLU HN . 25153 1 1515 . 1 1 125 125 GLU HA H 1 4.700 . . . . . . A 125 GLU HA . 25153 1 1516 . 1 1 125 125 GLU HB2 H 1 1.883 . . . . . . A 125 GLU HB2 . 25153 1 1517 . 1 1 125 125 GLU HB3 H 1 1.795 . . . . . . A 125 GLU HB3 . 25153 1 1518 . 1 1 125 125 GLU HG2 H 1 2.093 . . . . . . A 125 GLU HG2 . 25153 1 1519 . 1 1 125 125 GLU C C 13 172.880 . . . . . . A 125 GLU C . 25153 1 1520 . 1 1 125 125 GLU CA C 13 55.430 . . . . . . A 125 GLU CA . 25153 1 1521 . 1 1 125 125 GLU CB C 13 31.420 . . . . . . A 125 GLU CB . 25153 1 1522 . 1 1 125 125 GLU CG C 13 35.860 . . . . . . A 125 GLU CG . 25153 1 1523 . 1 1 125 125 GLU N N 15 124.890 . . . . . . A 125 GLU N . 25153 1 1524 . 1 1 126 126 PHE H H 1 7.716 . . . . . . A 126 PHE H . 25153 1 1525 . 1 1 126 126 PHE HA H 1 4.809 . . . . . . A 126 PHE HA . 25153 1 1526 . 1 1 126 126 PHE HB2 H 1 3.470 . . . . . . A 126 PHE HB2 . 25153 1 1527 . 1 1 126 126 PHE HB3 H 1 3.264 . . . . . . A 126 PHE HB3 . 25153 1 1528 . 1 1 126 126 PHE HD1 H 1 7.230 . . . . . . A 126 PHE HD1 . 25153 1 1529 . 1 1 126 126 PHE HE1 H 1 6.580 . . . . . . A 126 PHE HE1 . 25153 1 1530 . 1 1 126 126 PHE C C 13 173.750 . . . . . . A 126 PHE C . 25153 1 1531 . 1 1 126 126 PHE CA C 13 56.790 . . . . . . A 126 PHE CA . 25153 1 1532 . 1 1 126 126 PHE CB C 13 40.050 . . . . . . A 126 PHE CB . 25153 1 1533 . 1 1 126 126 PHE CD1 C 13 132.300 . . . . . . A 126 PHE CD1 . 25153 1 1534 . 1 1 126 126 PHE CE1 C 13 131.500 . . . . . . A 126 PHE CE1 . 25153 1 1535 . 1 1 126 126 PHE N N 15 119.166 . . . . . . A 126 PHE N . 25153 1 1536 . 1 1 127 127 THR H H 1 7.220 . . . . . . A 127 THR H . 25153 1 1537 . 1 1 127 127 THR HA H 1 4.400 . . . . . . A 127 THR HA . 25153 1 1538 . 1 1 127 127 THR HB H 1 4.225 . . . . . . A 127 THR HB . 25153 1 1539 . 1 1 127 127 THR HG21 H 1 1.000 . . . . . . A 127 THR HG21 . 25153 1 1540 . 1 1 127 127 THR HG22 H 1 1.000 . . . . . . A 127 THR HG22 . 25153 1 1541 . 1 1 127 127 THR HG23 H 1 1.000 . . . . . . A 127 THR HG23 . 25153 1 1542 . 1 1 127 127 THR C C 13 175.300 . . . . . . A 127 THR C . 25153 1 1543 . 1 1 127 127 THR CA C 13 61.100 . . . . . . A 127 THR CA . 25153 1 1544 . 1 1 127 127 THR CB C 13 70.600 . . . . . . A 127 THR CB . 25153 1 1545 . 1 1 127 127 THR CG2 C 13 21.900 . . . . . . A 127 THR CG2 . 25153 1 1546 . 1 1 127 127 THR N N 15 106.800 . . . . . . A 127 THR N . 25153 1 1547 . 1 1 128 128 SER H H 1 7.411 . . . . . . A 128 SER H . 25153 1 1548 . 1 1 128 128 SER HA H 1 4.680 . . . . . . A 128 SER HA . 25153 1 1549 . 1 1 128 128 SER HB2 H 1 4.057 . . . . . . A 128 SER HB2 . 25153 1 1550 . 1 1 128 128 SER HB3 H 1 4.142 . . . . . . A 128 SER HB3 . 25153 1 1551 . 1 1 128 128 SER C C 13 175.720 . . . . . . A 128 SER C . 25153 1 1552 . 1 1 128 128 SER CA C 13 56.250 . . . . . . A 128 SER CA . 25153 1 1553 . 1 1 128 128 SER CB C 13 65.635 . . . . . . A 128 SER CB . 25153 1 1554 . 1 1 128 128 SER N N 15 118.360 . . . . . . A 128 SER N . 25153 1 1555 . 1 1 129 129 PRO HA H 1 4.775 . . . . . . A 129 PRO HA . 25153 1 1556 . 1 1 129 129 PRO HB2 H 1 2.230 . . . . . . A 129 PRO HB2 . 25153 1 1557 . 1 1 129 129 PRO HB3 H 1 2.078 . . . . . . A 129 PRO HB3 . 25153 1 1558 . 1 1 129 129 PRO HG2 H 1 2.135 . . . . . . A 129 PRO HG2 . 25153 1 1559 . 1 1 129 129 PRO HG3 H 1 1.935 . . . . . . A 129 PRO HG3 . 25153 1 1560 . 1 1 129 129 PRO HD2 H 1 4.125 . . . . . . A 129 PRO HD2 . 25153 1 1561 . 1 1 129 129 PRO HD3 H 1 4.004 . . . . . . A 129 PRO HD3 . 25153 1 1562 . 1 1 129 129 PRO CA C 13 62.500 . . . . . . A 129 PRO CA . 25153 1 1563 . 1 1 129 129 PRO CB C 13 32.400 . . . . . . A 129 PRO CB . 25153 1 1564 . 1 1 129 129 PRO CG C 13 26.550 . . . . . . A 129 PRO CG . 25153 1 1565 . 1 1 129 129 PRO CD C 13 50.740 . . . . . . A 129 PRO CD . 25153 1 1566 . 1 1 130 130 LYS H H 1 8.445 . . . . . . A 130 LYS HN . 25153 1 1567 . 1 1 130 130 LYS HA H 1 4.233 . . . . . . A 130 LYS HA . 25153 1 1568 . 1 1 130 130 LYS HB2 H 1 2.070 . . . . . . A 130 LYS HB2 . 25153 1 1569 . 1 1 130 130 LYS HB3 H 1 1.643 . . . . . . A 130 LYS HB3 . 25153 1 1570 . 1 1 130 130 LYS HG2 H 1 1.431 . . . . . . A 130 LYS HG2 . 25153 1 1571 . 1 1 130 130 LYS HG3 H 1 1.666 . . . . . . A 130 LYS HG3 . 25153 1 1572 . 1 1 130 130 LYS HD2 H 1 1.679 . . . . . . A 130 LYS HD2 . 25153 1 1573 . 1 1 130 130 LYS HE2 H 1 3.034 . . . . . . A 130 LYS HE2 . 25153 1 1574 . 1 1 130 130 LYS CA C 13 61.700 . . . . . . A 130 LYS CA . 25153 1 1575 . 1 1 130 130 LYS CB C 13 30.570 . . . . . . A 130 LYS CB . 25153 1 1576 . 1 1 130 130 LYS CG C 13 26.900 . . . . . . A 130 LYS CG . 25153 1 1577 . 1 1 130 130 LYS CD C 13 29.700 . . . . . . A 130 LYS CD . 25153 1 1578 . 1 1 130 130 LYS CE C 13 42.320 . . . . . . A 130 LYS CE . 25153 1 1579 . 1 1 130 130 LYS N N 15 122.014 . . . . . . A 130 LYS N . 25153 1 1580 . 1 1 131 131 PRO HA H 1 4.518 . . . . . . A 131 PRO HA . 25153 1 1581 . 1 1 131 131 PRO HB2 H 1 2.082 . . . . . . A 131 PRO HB2 . 25153 1 1582 . 1 1 131 131 PRO HG2 H 1 2.728 . . . . . . A 131 PRO HG2 . 25153 1 1583 . 1 1 131 131 PRO HG3 H 1 1.648 . . . . . . A 131 PRO HG3 . 25153 1 1584 . 1 1 131 131 PRO HD2 H 1 3.932 . . . . . . A 131 PRO HD2 . 25153 1 1585 . 1 1 131 131 PRO HD3 H 1 3.473 . . . . . . A 131 PRO HD3 . 25153 1 1586 . 1 1 131 131 PRO C C 13 174.000 . . . . . . A 131 PRO C . 25153 1 1587 . 1 1 131 131 PRO CA C 13 64.700 . . . . . . A 131 PRO CA . 25153 1 1588 . 1 1 131 131 PRO CB C 13 31.200 . . . . . . A 131 PRO CB . 25153 1 1589 . 1 1 131 131 PRO CG C 13 26.110 . . . . . . A 131 PRO CG . 25153 1 1590 . 1 1 131 131 PRO CD C 13 49.700 . . . . . . A 131 PRO CD . 25153 1 1591 . 1 1 132 132 VAL H H 1 6.697 . . . . . . A 132 VAL H . 25153 1 1592 . 1 1 132 132 VAL HA H 1 5.200 . . . . . . A 132 VAL HA . 25153 1 1593 . 1 1 132 132 VAL HB H 1 1.947 . . . . . . A 132 VAL HB . 25153 1 1594 . 1 1 132 132 VAL HG11 H 1 0.920 . . . . . . A 132 VAL HG11 . 25153 1 1595 . 1 1 132 132 VAL HG12 H 1 0.920 . . . . . . A 132 VAL HG12 . 25153 1 1596 . 1 1 132 132 VAL HG13 H 1 0.920 . . . . . . A 132 VAL HG13 . 25153 1 1597 . 1 1 132 132 VAL HG21 H 1 0.820 . . . . . . A 132 VAL HG21 . 25153 1 1598 . 1 1 132 132 VAL HG22 H 1 0.820 . . . . . . A 132 VAL HG22 . 25153 1 1599 . 1 1 132 132 VAL HG23 H 1 0.820 . . . . . . A 132 VAL HG23 . 25153 1 1600 . 1 1 132 132 VAL C C 13 175.210 . . . . . . A 132 VAL C . 25153 1 1601 . 1 1 132 132 VAL CA C 13 59.620 . . . . . . A 132 VAL CA . 25153 1 1602 . 1 1 132 132 VAL CB C 13 34.980 . . . . . . A 132 VAL CB . 25153 1 1603 . 1 1 132 132 VAL CG1 C 13 19.140 . . . . . . A 132 VAL CG1 . 25153 1 1604 . 1 1 132 132 VAL CG2 C 13 23.180 . . . . . . A 132 VAL CG2 . 25153 1 1605 . 1 1 132 132 VAL N N 15 113.260 . . . . . . A 132 VAL N . 25153 1 1606 . 1 1 133 133 ILE H H 1 8.756 . . . . . . A 133 ILE H . 25153 1 1607 . 1 1 133 133 ILE HA H 1 4.380 . . . . . . A 133 ILE HA . 25153 1 1608 . 1 1 133 133 ILE HB H 1 1.684 . . . . . . A 133 ILE HB . 25153 1 1609 . 1 1 133 133 ILE HG12 H 1 0.906 . . . . . . A 133 ILE HG12 . 25153 1 1610 . 1 1 133 133 ILE HG13 H 1 0.485 . . . . . . A 133 ILE HG13 . 25153 1 1611 . 1 1 133 133 ILE HG21 H 1 0.422 . . . . . . A 133 ILE HG21 . 25153 1 1612 . 1 1 133 133 ILE HG22 H 1 0.422 . . . . . . A 133 ILE HG22 . 25153 1 1613 . 1 1 133 133 ILE HG23 H 1 0.422 . . . . . . A 133 ILE HG23 . 25153 1 1614 . 1 1 133 133 ILE HD11 H 1 0.110 . . . . . . A 133 ILE HD11 . 25153 1 1615 . 1 1 133 133 ILE HD12 H 1 0.110 . . . . . . A 133 ILE HD12 . 25153 1 1616 . 1 1 133 133 ILE HD13 H 1 0.110 . . . . . . A 133 ILE HD13 . 25153 1 1617 . 1 1 133 133 ILE C C 13 175.440 . . . . . . A 133 ILE C . 25153 1 1618 . 1 1 133 133 ILE CA C 13 60.450 . . . . . . A 133 ILE CA . 25153 1 1619 . 1 1 133 133 ILE CB C 13 42.100 . . . . . . A 133 ILE CB . 25153 1 1620 . 1 1 133 133 ILE CG1 C 13 26.600 . . . . . . A 133 ILE CG1 . 25153 1 1621 . 1 1 133 133 ILE CG2 C 13 17.688 . . . . . . A 133 ILE CG2 . 25153 1 1622 . 1 1 133 133 ILE CD1 C 13 13.356 . . . . . . A 133 ILE CD1 . 25153 1 1623 . 1 1 133 133 ILE N N 15 119.940 . . . . . . A 133 ILE N . 25153 1 1624 . 1 1 134 134 ALA H H 1 8.523 . . . . . . A 134 ALA H . 25153 1 1625 . 1 1 134 134 ALA HA H 1 3.960 . . . . . . A 134 ALA HA . 25153 1 1626 . 1 1 134 134 ALA HB1 H 1 1.297 . . . . . . A 134 ALA HB1 . 25153 1 1627 . 1 1 134 134 ALA HB2 H 1 1.297 . . . . . . A 134 ALA HB2 . 25153 1 1628 . 1 1 134 134 ALA HB3 H 1 1.297 . . . . . . A 134 ALA HB3 . 25153 1 1629 . 1 1 134 134 ALA C C 13 178.312 . . . . . . A 134 ALA C . 25153 1 1630 . 1 1 134 134 ALA CA C 13 53.080 . . . . . . A 134 ALA CA . 25153 1 1631 . 1 1 134 134 ALA CB C 13 16.836 . . . . . . A 134 ALA CB . 25153 1 1632 . 1 1 134 134 ALA N N 15 122.632 . . . . . . A 134 ALA N . 25153 1 1633 . 1 1 135 135 ASP H H 1 8.635 . . . . . . A 135 ASP HN . 25153 1 1634 . 1 1 135 135 ASP HA H 1 4.252 . . . . . . A 135 ASP HA . 25153 1 1635 . 1 1 135 135 ASP HB2 H 1 2.903 . . . . . . A 135 ASP HB2 . 25153 1 1636 . 1 1 135 135 ASP HB3 H 1 2.663 . . . . . . A 135 ASP HB3 . 25153 1 1637 . 1 1 135 135 ASP C C 13 176.387 . . . . . . A 135 ASP C . 25153 1 1638 . 1 1 135 135 ASP CA C 13 55.210 . . . . . . A 135 ASP CA . 25153 1 1639 . 1 1 135 135 ASP CB C 13 39.700 . . . . . . A 135 ASP CB . 25153 1 1640 . 1 1 135 135 ASP N N 15 117.366 . . . . . . A 135 ASP N . 25153 1 1641 . 1 1 136 136 GLY H H 1 7.610 . . . . . . A 136 GLY H . 25153 1 1642 . 1 1 136 136 GLY HA2 H 1 4.248 . . . . . . A 136 GLY HA2 . 25153 1 1643 . 1 1 136 136 GLY HA3 H 1 3.328 . . . . . . A 136 GLY HA3 . 25153 1 1644 . 1 1 136 136 GLY C C 13 174.922 . . . . . . A 136 GLY C . 25153 1 1645 . 1 1 136 136 GLY CA C 13 45.100 . . . . . . A 136 GLY CA . 25153 1 1646 . 1 1 136 136 GLY N N 15 104.310 . . . . . . A 136 GLY N . 25153 1 1647 . 1 1 137 137 GLN H H 1 7.870 . . . . . . A 137 GLN H . 25153 1 1648 . 1 1 137 137 GLN HA H 1 4.055 . . . . . . A 137 GLN HA . 25153 1 1649 . 1 1 137 137 GLN HB2 H 1 2.250 . . . . . . A 137 GLN HB2 . 25153 1 1650 . 1 1 137 137 GLN HB3 H 1 2.134 . . . . . . A 137 GLN HB3 . 25153 1 1651 . 1 1 137 137 GLN HG2 H 1 2.503 . . . . . . A 137 GLN HG2 . 25153 1 1652 . 1 1 137 137 GLN HG3 H 1 2.325 . . . . . . A 137 GLN HG3 . 25153 1 1653 . 1 1 137 137 GLN HE21 H 1 6.818 . . . . . . A 137 GLN HE21 . 25153 1 1654 . 1 1 137 137 GLN HE22 H 1 7.483 . . . . . . A 137 GLN HE22 . 25153 1 1655 . 1 1 137 137 GLN C C 13 176.390 . . . . . . A 137 GLN C . 25153 1 1656 . 1 1 137 137 GLN CA C 13 57.640 . . . . . . A 137 GLN CA . 25153 1 1657 . 1 1 137 137 GLN CB C 13 30.230 . . . . . . A 137 GLN CB . 25153 1 1658 . 1 1 137 137 GLN CG C 13 34.500 . . . . . . A 137 GLN CG . 25153 1 1659 . 1 1 137 137 GLN N N 15 118.784 . . . . . . A 137 GLN N . 25153 1 1660 . 1 1 137 137 GLN NE2 N 15 112.800 . . . . . . A 137 GLN NE2 . 25153 1 1661 . 1 1 138 138 LEU H H 1 7.356 . . . . . . A 138 LEU H . 25153 1 1662 . 1 1 138 138 LEU HA H 1 4.987 . . . . . . A 138 LEU HA . 25153 1 1663 . 1 1 138 138 LEU HB2 H 1 1.220 . . . . . . A 138 LEU HB2 . 25153 1 1664 . 1 1 138 138 LEU HB3 H 1 1.316 . . . . . . A 138 LEU HB3 . 25153 1 1665 . 1 1 138 138 LEU HG H 1 1.320 . . . . . . A 138 LEU HG . 25153 1 1666 . 1 1 138 138 LEU HD11 H 1 0.828 . . . . . . A 138 LEU HD11 . 25153 1 1667 . 1 1 138 138 LEU HD12 H 1 0.828 . . . . . . A 138 LEU HD12 . 25153 1 1668 . 1 1 138 138 LEU HD13 H 1 0.828 . . . . . . A 138 LEU HD13 . 25153 1 1669 . 1 1 138 138 LEU HD21 H 1 0.780 . . . . . . A 138 LEU HD21 . 25153 1 1670 . 1 1 138 138 LEU HD22 H 1 0.780 . . . . . . A 138 LEU HD22 . 25153 1 1671 . 1 1 138 138 LEU HD23 H 1 0.780 . . . . . . A 138 LEU HD23 . 25153 1 1672 . 1 1 138 138 LEU C C 13 175.913 . . . . . . A 138 LEU C . 25153 1 1673 . 1 1 138 138 LEU CA C 13 53.600 . . . . . . A 138 LEU CA . 25153 1 1674 . 1 1 138 138 LEU CB C 13 46.400 . . . . . . A 138 LEU CB . 25153 1 1675 . 1 1 138 138 LEU CG C 13 26.560 . . . . . . A 138 LEU CG . 25153 1 1676 . 1 1 138 138 LEU CD1 C 13 25.761 . . . . . . A 138 LEU CD1 . 25153 1 1677 . 1 1 138 138 LEU CD2 C 13 22.800 . . . . . . A 138 LEU CD2 . 25153 1 1678 . 1 1 138 138 LEU N N 15 118.040 . . . . . . A 138 LEU N . 25153 1 1679 . 1 1 139 139 PHE H H 1 10.094 . . . . . . A 139 PHE H . 25153 1 1680 . 1 1 139 139 PHE HA H 1 5.310 . . . . . . A 139 PHE HA . 25153 1 1681 . 1 1 139 139 PHE HB2 H 1 3.560 . . . . . . A 139 PHE HB2 . 25153 1 1682 . 1 1 139 139 PHE HB3 H 1 3.043 . . . . . . A 139 PHE HB3 . 25153 1 1683 . 1 1 139 139 PHE HD2 H 1 6.860 . . . . . . A 139 PHE HD2 . 25153 1 1684 . 1 1 139 139 PHE HE2 H 1 6.055 . . . . . . A 139 PHE HE2 . 25153 1 1685 . 1 1 139 139 PHE HZ H 1 6.828 . . . . . . A 139 PHE HZ . 25153 1 1686 . 1 1 139 139 PHE C C 13 178.780 . . . . . . A 139 PHE C . 25153 1 1687 . 1 1 139 139 PHE CA C 13 56.850 . . . . . . A 139 PHE CA . 25153 1 1688 . 1 1 139 139 PHE CB C 13 43.460 . . . . . . A 139 PHE CB . 25153 1 1689 . 1 1 139 139 PHE CD2 C 13 131.500 . . . . . . A 139 PHE CD2 . 25153 1 1690 . 1 1 139 139 PHE CE2 C 13 131.500 . . . . . . A 139 PHE CE2 . 25153 1 1691 . 1 1 139 139 PHE CZ C 13 128.500 . . . . . . A 139 PHE CZ . 25153 1 1692 . 1 1 139 139 PHE N N 15 119.060 . . . . . . A 139 PHE N . 25153 1 1693 . 1 1 140 140 VAL H H 1 7.470 . . . . . . A 140 VAL H . 25153 1 1694 . 1 1 140 140 VAL HA H 1 3.481 . . . . . . A 140 VAL HA . 25153 1 1695 . 1 1 140 140 VAL HB H 1 1.790 . . . . . . A 140 VAL HB . 25153 1 1696 . 1 1 140 140 VAL HG11 H 1 0.447 . . . . . . A 140 VAL HG11 . 25153 1 1697 . 1 1 140 140 VAL HG12 H 1 0.447 . . . . . . A 140 VAL HG12 . 25153 1 1698 . 1 1 140 140 VAL HG13 H 1 0.447 . . . . . . A 140 VAL HG13 . 25153 1 1699 . 1 1 140 140 VAL HG21 H 1 -0.140 . . . . . . A 140 VAL HG21 . 25153 1 1700 . 1 1 140 140 VAL HG22 H 1 -0.140 . . . . . . A 140 VAL HG22 . 25153 1 1701 . 1 1 140 140 VAL HG23 H 1 -0.140 . . . . . . A 140 VAL HG23 . 25153 1 1702 . 1 1 140 140 VAL C C 13 172.790 . . . . . . A 140 VAL C . 25153 1 1703 . 1 1 140 140 VAL CA C 13 62.000 . . . . . . A 140 VAL CA . 25153 1 1704 . 1 1 140 140 VAL CB C 13 30.550 . . . . . . A 140 VAL CB . 25153 1 1705 . 1 1 140 140 VAL CG1 C 13 18.200 . . . . . . A 140 VAL CG1 . 25153 1 1706 . 1 1 140 140 VAL CG2 C 13 21.155 . . . . . . A 140 VAL CG2 . 25153 1 1707 . 1 1 140 140 VAL N N 15 109.690 . . . . . . A 140 VAL N . 25153 1 1708 . 1 1 141 141 GLY H H 1 7.137 . . . . . . A 141 GLY H . 25153 1 1709 . 1 1 141 141 GLY HA2 H 1 4.619 . . . . . . A 141 GLY HA2 . 25153 1 1710 . 1 1 141 141 GLY HA3 H 1 3.925 . . . . . . A 141 GLY HA3 . 25153 1 1711 . 1 1 141 141 GLY C C 13 171.513 . . . . . . A 141 GLY C . 25153 1 1712 . 1 1 141 141 GLY CA C 13 45.430 . . . . . . A 141 GLY CA . 25153 1 1713 . 1 1 141 141 GLY N N 15 107.060 . . . . . . A 141 GLY N . 25153 1 1714 . 1 1 142 142 LEU H H 1 7.517 . . . . . . A 142 LEU H . 25153 1 1715 . 1 1 142 142 LEU HA H 1 2.975 . . . . . . A 142 LEU HA . 25153 1 1716 . 1 1 142 142 LEU HB2 H 1 0.053 . . . . . . A 142 LEU HB2 . 25153 1 1717 . 1 1 142 142 LEU HB3 H 1 -1.666 . . . . . . A 142 LEU HB3 . 25153 1 1718 . 1 1 142 142 LEU HG H 1 -0.258 . . . . . . A 142 LEU HG . 25153 1 1719 . 1 1 142 142 LEU HD11 H 1 -0.877 . . . . . . A 142 LEU HD11 . 25153 1 1720 . 1 1 142 142 LEU HD12 H 1 -0.877 . . . . . . A 142 LEU HD12 . 25153 1 1721 . 1 1 142 142 LEU HD13 H 1 -0.877 . . . . . . A 142 LEU HD13 . 25153 1 1722 . 1 1 142 142 LEU C C 13 173.640 . . . . . . A 142 LEU C . 25153 1 1723 . 1 1 142 142 LEU CA C 13 55.920 . . . . . . A 142 LEU CA . 25153 1 1724 . 1 1 142 142 LEU CB C 13 37.550 . . . . . . A 142 LEU CB . 25153 1 1725 . 1 1 142 142 LEU CG C 13 24.750 . . . . . . A 142 LEU CG . 25153 1 1726 . 1 1 142 142 LEU CD1 C 13 20.120 . . . . . . A 142 LEU CD1 . 25153 1 1727 . 1 1 142 142 LEU N N 15 117.863 . . . . . . A 142 LEU N . 25153 1 1728 . 1 1 143 143 ALA H H 1 5.186 . . . . . . A 143 ALA H . 25153 1 1729 . 1 1 143 143 ALA HA H 1 4.277 . . . . . . A 143 ALA HA . 25153 1 1730 . 1 1 143 143 ALA HB1 H 1 0.085 . . . . . . A 143 ALA HB1 . 25153 1 1731 . 1 1 143 143 ALA HB2 H 1 0.085 . . . . . . A 143 ALA HB2 . 25153 1 1732 . 1 1 143 143 ALA HB3 H 1 0.085 . . . . . . A 143 ALA HB3 . 25153 1 1733 . 1 1 143 143 ALA C C 13 175.730 . . . . . . A 143 ALA C . 25153 1 1734 . 1 1 143 143 ALA CA C 13 49.440 . . . . . . A 143 ALA CA . 25153 1 1735 . 1 1 143 143 ALA CB C 13 23.310 . . . . . . A 143 ALA CB . 25153 1 1736 . 1 1 143 143 ALA N N 15 126.990 . . . . . . A 143 ALA N . 25153 1 1737 . 1 1 144 144 LEU H H 1 8.758 . . . . . . A 144 LEU H . 25153 1 1738 . 1 1 144 144 LEU HA H 1 4.780 . . . . . . A 144 LEU HA . 25153 1 1739 . 1 1 144 144 LEU HB2 H 1 1.330 . . . . . . A 144 LEU HB2 . 25153 1 1740 . 1 1 144 144 LEU HB3 H 1 1.945 . . . . . . A 144 LEU HB3 . 25153 1 1741 . 1 1 144 144 LEU HG H 1 0.602 . . . . . . A 144 LEU HG . 25153 1 1742 . 1 1 144 144 LEU HD11 H 1 0.830 . . . . . . A 144 LEU HD11 . 25153 1 1743 . 1 1 144 144 LEU HD12 H 1 0.830 . . . . . . A 144 LEU HD12 . 25153 1 1744 . 1 1 144 144 LEU HD13 H 1 0.830 . . . . . . A 144 LEU HD13 . 25153 1 1745 . 1 1 144 144 LEU HD21 H 1 1.167 . . . . . . A 144 LEU HD21 . 25153 1 1746 . 1 1 144 144 LEU HD22 H 1 1.167 . . . . . . A 144 LEU HD22 . 25153 1 1747 . 1 1 144 144 LEU HD23 H 1 1.167 . . . . . . A 144 LEU HD23 . 25153 1 1748 . 1 1 144 144 LEU C C 13 174.473 . . . . . . A 144 LEU C . 25153 1 1749 . 1 1 144 144 LEU CA C 13 53.240 . . . . . . A 144 LEU CA . 25153 1 1750 . 1 1 144 144 LEU CB C 13 45.300 . . . . . . A 144 LEU CB . 25153 1 1751 . 1 1 144 144 LEU CG C 13 25.200 . . . . . . A 144 LEU CG . 25153 1 1752 . 1 1 144 144 LEU CD1 C 13 22.823 . . . . . . A 144 LEU CD1 . 25153 1 1753 . 1 1 144 144 LEU CD2 C 13 26.900 . . . . . . A 144 LEU CD2 . 25153 1 1754 . 1 1 144 144 LEU N N 15 125.477 . . . . . . A 144 LEU N . 25153 1 1755 . 1 1 145 145 ASP H H 1 8.164 . . . . . . A 145 ASP HN . 25153 1 1756 . 1 1 145 145 ASP HA H 1 5.532 . . . . . . A 145 ASP HA . 25153 1 1757 . 1 1 145 145 ASP HB2 H 1 2.840 . . . . . . A 145 ASP HB2 . 25153 1 1758 . 1 1 145 145 ASP HB3 H 1 2.668 . . . . . . A 145 ASP HB3 . 25153 1 1759 . 1 1 145 145 ASP C C 13 176.470 . . . . . . A 145 ASP C . 25153 1 1760 . 1 1 145 145 ASP CA C 13 52.630 . . . . . . A 145 ASP CA . 25153 1 1761 . 1 1 145 145 ASP CB C 13 43.000 . . . . . . A 145 ASP CB . 25153 1 1762 . 1 1 145 145 ASP N N 15 118.915 . . . . . . A 145 ASP N . 25153 1 1763 . 1 1 146 146 GLU H H 1 9.490 . . . . . . A 146 GLU HN . 25153 1 1764 . 1 1 146 146 GLU HA H 1 4.376 . . . . . . A 146 GLU HA . 25153 1 1765 . 1 1 146 146 GLU HB2 H 1 2.208 . . . . . . A 146 GLU HB2 . 25153 1 1766 . 1 1 146 146 GLU HB3 H 1 1.304 . . . . . . A 146 GLU HB3 . 25153 1 1767 . 1 1 146 146 GLU HG2 H 1 2.529 . . . . . . A 146 GLU HG2 . 25153 1 1768 . 1 1 146 146 GLU HG3 H 1 2.210 . . . . . . A 146 GLU HG3 . 25153 1 1769 . 1 1 146 146 GLU C C 13 177.290 . . . . . . A 146 GLU C . 25153 1 1770 . 1 1 146 146 GLU CA C 13 56.120 . . . . . . A 146 GLU CA . 25153 1 1771 . 1 1 146 146 GLU CB C 13 30.150 . . . . . . A 146 GLU CB . 25153 1 1772 . 1 1 146 146 GLU CG C 13 36.050 . . . . . . A 146 GLU CG . 25153 1 1773 . 1 1 146 146 GLU N N 15 124.813 . . . . . . A 146 GLU N . 25153 1 1774 . 1 1 147 147 THR H H 1 8.562 . . . . . . A 147 THR H . 25153 1 1775 . 1 1 147 147 THR HA H 1 4.200 . . . . . . A 147 THR HA . 25153 1 1776 . 1 1 147 147 THR HB H 1 4.225 . . . . . . A 147 THR HB . 25153 1 1777 . 1 1 147 147 THR HG21 H 1 1.250 . . . . . . A 147 THR HG21 . 25153 1 1778 . 1 1 147 147 THR HG22 H 1 1.250 . . . . . . A 147 THR HG22 . 25153 1 1779 . 1 1 147 147 THR HG23 H 1 1.250 . . . . . . A 147 THR HG23 . 25153 1 1780 . 1 1 147 147 THR C C 13 175.683 . . . . . . A 147 THR C . 25153 1 1781 . 1 1 147 147 THR CA C 13 66.250 . . . . . . A 147 THR CA . 25153 1 1782 . 1 1 147 147 THR CB C 13 69.600 . . . . . . A 147 THR CB . 25153 1 1783 . 1 1 147 147 THR CG2 C 13 21.570 . . . . . . A 147 THR CG2 . 25153 1 1784 . 1 1 147 147 THR N N 15 118.328 . . . . . . A 147 THR N . 25153 1 1785 . 1 1 148 148 ASN H H 1 9.118 . . . . . . A 148 ASN H . 25153 1 1786 . 1 1 148 148 ASN HA H 1 4.987 . . . . . . A 148 ASN HA . 25153 1 1787 . 1 1 148 148 ASN HB2 H 1 2.880 . . . . . . A 148 ASN HB2 . 25153 1 1788 . 1 1 148 148 ASN HB3 H 1 2.330 . . . . . . A 148 ASN HB3 . 25153 1 1789 . 1 1 148 148 ASN HD21 H 1 8.091 . . . . . . A 148 ASN HD21 . 25153 1 1790 . 1 1 148 148 ASN HD22 H 1 9.915 . . . . . . A 148 ASN HD22 . 25153 1 1791 . 1 1 148 148 ASN C C 13 175.870 . . . . . . A 148 ASN C . 25153 1 1792 . 1 1 148 148 ASN CA C 13 53.700 . . . . . . A 148 ASN CA . 25153 1 1793 . 1 1 148 148 ASN CB C 13 41.880 . . . . . . A 148 ASN CB . 25153 1 1794 . 1 1 148 148 ASN N N 15 115.550 . . . . . . A 148 ASN N . 25153 1 1795 . 1 1 148 148 ASN ND2 N 15 125.045 . . . . . . A 148 ASN ND2 . 25153 1 1796 . 1 1 149 149 GLN H H 1 7.555 . . . . . . A 149 GLN H . 25153 1 1797 . 1 1 149 149 GLN HA H 1 4.843 . . . . . . A 149 GLN HA . 25153 1 1798 . 1 1 149 149 GLN HB2 H 1 2.252 . . . . . . A 149 GLN HB2 . 25153 1 1799 . 1 1 149 149 GLN HB3 H 1 2.135 . . . . . . A 149 GLN HB3 . 25153 1 1800 . 1 1 149 149 GLN HG2 H 1 2.445 . . . . . . A 149 GLN HG2 . 25153 1 1801 . 1 1 149 149 GLN HG3 H 1 1.845 . . . . . . A 149 GLN HG3 . 25153 1 1802 . 1 1 149 149 GLN HE21 H 1 6.741 . . . . . . A 149 GLN HE21 . 25153 1 1803 . 1 1 149 149 GLN HE22 H 1 7.746 . . . . . . A 149 GLN HE22 . 25153 1 1804 . 1 1 149 149 GLN C C 13 177.780 . . . . . . A 149 GLN C . 25153 1 1805 . 1 1 149 149 GLN CA C 13 53.900 . . . . . . A 149 GLN CA . 25153 1 1806 . 1 1 149 149 GLN CB C 13 29.300 . . . . . . A 149 GLN CB . 25153 1 1807 . 1 1 149 149 GLN CG C 13 33.340 . . . . . . A 149 GLN CG . 25153 1 1808 . 1 1 149 149 GLN N N 15 117.400 . . . . . . A 149 GLN N . 25153 1 1809 . 1 1 149 149 GLN NE2 N 15 115.100 . . . . . . A 149 GLN NE2 . 25153 1 1810 . 1 1 150 150 TYR H H 1 6.983 . . . . . . A 150 TYR H . 25153 1 1811 . 1 1 150 150 TYR HA H 1 4.528 . . . . . . A 150 TYR HA . 25153 1 1812 . 1 1 150 150 TYR HB2 H 1 3.448 . . . . . . A 150 TYR HB2 . 25153 1 1813 . 1 1 150 150 TYR HB3 H 1 3.355 . . . . . . A 150 TYR HB3 . 25153 1 1814 . 1 1 150 150 TYR HD1 H 1 7.093 . . . . . . A 150 TYR HD1 . 25153 1 1815 . 1 1 150 150 TYR HE1 H 1 6.942 . . . . . . A 150 TYR HE1 . 25153 1 1816 . 1 1 150 150 TYR C C 13 177.830 . . . . . . A 150 TYR C . 25153 1 1817 . 1 1 150 150 TYR CA C 13 58.487 . . . . . . A 150 TYR CA . 25153 1 1818 . 1 1 150 150 TYR CB C 13 36.600 . . . . . . A 150 TYR CB . 25153 1 1819 . 1 1 150 150 TYR CD1 C 13 133.932 . . . . . . A 150 TYR CD1 . 25153 1 1820 . 1 1 150 150 TYR CE1 C 13 118.890 . . . . . . A 150 TYR CE1 . 25153 1 1821 . 1 1 150 150 TYR N N 15 120.674 . . . . . . A 150 TYR N . 25153 1 1822 . 1 1 151 151 ASP H H 1 8.626 . . . . . . A 151 ASP HN . 25153 1 1823 . 1 1 151 151 ASP HA H 1 4.515 . . . . . . A 151 ASP HA . 25153 1 1824 . 1 1 151 151 ASP HB2 H 1 2.577 . . . . . . A 151 ASP HB2 . 25153 1 1825 . 1 1 151 151 ASP C C 13 176.400 . . . . . . A 151 ASP C . 25153 1 1826 . 1 1 151 151 ASP CA C 13 55.400 . . . . . . A 151 ASP CA . 25153 1 1827 . 1 1 151 151 ASP CB C 13 39.080 . . . . . . A 151 ASP CB . 25153 1 1828 . 1 1 151 151 ASP N N 15 120.810 . . . . . . A 151 ASP N . 25153 1 1829 . 1 1 152 152 LEU H H 1 7.453 . . . . . . A 152 LEU H . 25153 1 1830 . 1 1 152 152 LEU HA H 1 4.676 . . . . . . A 152 LEU HA . 25153 1 1831 . 1 1 152 152 LEU HB2 H 1 1.649 . . . . . . A 152 LEU HB2 . 25153 1 1832 . 1 1 152 152 LEU HG H 1 1.511 . . . . . . A 152 LEU HG . 25153 1 1833 . 1 1 152 152 LEU HD11 H 1 0.794 . . . . . . A 152 LEU HD11 . 25153 1 1834 . 1 1 152 152 LEU HD12 H 1 0.794 . . . . . . A 152 LEU HD12 . 25153 1 1835 . 1 1 152 152 LEU HD13 H 1 0.794 . . . . . . A 152 LEU HD13 . 25153 1 1836 . 1 1 152 152 LEU HD21 H 1 0.780 . . . . . . A 152 LEU HD21 . 25153 1 1837 . 1 1 152 152 LEU HD22 H 1 0.780 . . . . . . A 152 LEU HD22 . 25153 1 1838 . 1 1 152 152 LEU HD23 H 1 0.780 . . . . . . A 152 LEU HD23 . 25153 1 1839 . 1 1 152 152 LEU C C 13 178.470 . . . . . . A 152 LEU C . 25153 1 1840 . 1 1 152 152 LEU CA C 13 54.600 . . . . . . A 152 LEU CA . 25153 1 1841 . 1 1 152 152 LEU CB C 13 42.600 . . . . . . A 152 LEU CB . 25153 1 1842 . 1 1 152 152 LEU CG C 13 25.360 . . . . . . A 152 LEU CG . 25153 1 1843 . 1 1 152 152 LEU CD1 C 13 22.280 . . . . . . A 152 LEU CD1 . 25153 1 1844 . 1 1 152 152 LEU CD2 C 13 25.750 . . . . . . A 152 LEU CD2 . 25153 1 1845 . 1 1 152 152 LEU N N 15 118.083 . . . . . . A 152 LEU N . 25153 1 1846 . 1 1 153 153 SER H H 1 7.360 . . . . . . A 153 SER H . 25153 1 1847 . 1 1 153 153 SER HA H 1 3.960 . . . . . . A 153 SER HA . 25153 1 1848 . 1 1 153 153 SER HB2 H 1 4.158 . . . . . . A 153 SER HB2 . 25153 1 1849 . 1 1 153 153 SER HB3 H 1 3.836 . . . . . . A 153 SER HB3 . 25153 1 1850 . 1 1 153 153 SER C C 13 174.590 . . . . . . A 153 SER C . 25153 1 1851 . 1 1 153 153 SER CA C 13 63.400 . . . . . . A 153 SER CA . 25153 1 1852 . 1 1 153 153 SER CB C 13 63.100 . . . . . . A 153 SER CB . 25153 1 1853 . 1 1 153 153 SER N N 15 116.407 . . . . . . A 153 SER N . 25153 1 1854 . 1 1 154 154 ASP H H 1 9.046 . . . . . . A 154 ASP HN . 25153 1 1855 . 1 1 154 154 ASP HA H 1 4.310 . . . . . . A 154 ASP HA . 25153 1 1856 . 1 1 154 154 ASP HB2 H 1 2.648 . . . . . . A 154 ASP HB2 . 25153 1 1857 . 1 1 154 154 ASP C C 13 178.640 . . . . . . A 154 ASP C . 25153 1 1858 . 1 1 154 154 ASP CA C 13 59.000 . . . . . . A 154 ASP CA . 25153 1 1859 . 1 1 154 154 ASP CB C 13 39.570 . . . . . . A 154 ASP CB . 25153 1 1860 . 1 1 154 154 ASP N N 15 121.960 . . . . . . A 154 ASP N . 25153 1 1861 . 1 1 155 155 GLU H H 1 8.593 . . . . . . A 155 GLU HN . 25153 1 1862 . 1 1 155 155 GLU HA H 1 4.185 . . . . . . A 155 GLU HA . 25153 1 1863 . 1 1 155 155 GLU HB2 H 1 2.176 . . . . . . A 155 GLU HB2 . 25153 1 1864 . 1 1 155 155 GLU HG2 H 1 2.415 . . . . . . A 155 GLU HG2 . 25153 1 1865 . 1 1 155 155 GLU HG3 H 1 2.478 . . . . . . A 155 GLU HG3 . 25153 1 1866 . 1 1 155 155 GLU C C 13 179.600 . . . . . . A 155 GLU C . 25153 1 1867 . 1 1 155 155 GLU CA C 13 59.450 . . . . . . A 155 GLU CA . 25153 1 1868 . 1 1 155 155 GLU CB C 13 29.400 . . . . . . A 155 GLU CB . 25153 1 1869 . 1 1 155 155 GLU CG C 13 36.480 . . . . . . A 155 GLU CG . 25153 1 1870 . 1 1 155 155 GLU N N 15 121.310 . . . . . . A 155 GLU N . 25153 1 1871 . 1 1 156 156 ARG H H 1 8.163 . . . . . . A 156 ARG HN . 25153 1 1872 . 1 1 156 156 ARG HA H 1 4.300 . . . . . . A 156 ARG HA . 25153 1 1873 . 1 1 156 156 ARG HB2 H 1 1.920 . . . . . . A 156 ARG HB2 . 25153 1 1874 . 1 1 156 156 ARG HB3 H 1 1.660 . . . . . . A 156 ARG HB3 . 25153 1 1875 . 1 1 156 156 ARG HG2 H 1 2.390 . . . . . . A 156 ARG HG2 . 25153 1 1876 . 1 1 156 156 ARG HG3 H 1 2.173 . . . . . . A 156 ARG HG3 . 25153 1 1877 . 1 1 156 156 ARG HD2 H 1 3.130 . . . . . . A 156 ARG HD2 . 25153 1 1878 . 1 1 156 156 ARG HD3 H 1 2.918 . . . . . . A 156 ARG HD3 . 25153 1 1879 . 1 1 156 156 ARG C C 13 177.330 . . . . . . A 156 ARG C . 25153 1 1880 . 1 1 156 156 ARG CA C 13 60.460 . . . . . . A 156 ARG CA . 25153 1 1881 . 1 1 156 156 ARG CB C 13 30.760 . . . . . . A 156 ARG CB . 25153 1 1882 . 1 1 156 156 ARG CG C 13 28.400 . . . . . . A 156 ARG CG . 25153 1 1883 . 1 1 156 156 ARG CD C 13 44.330 . . . . . . A 156 ARG CD . 25153 1 1884 . 1 1 156 156 ARG N N 15 121.394 . . . . . . A 156 ARG N . 25153 1 1885 . 1 1 157 157 ILE H H 1 8.966 . . . . . . A 157 ILE H . 25153 1 1886 . 1 1 157 157 ILE HA H 1 3.434 . . . . . . A 157 ILE HA . 25153 1 1887 . 1 1 157 157 ILE HB H 1 1.807 . . . . . . A 157 ILE HB . 25153 1 1888 . 1 1 157 157 ILE HG12 H 1 0.375 . . . . . . A 157 ILE HG12 . 25153 1 1889 . 1 1 157 157 ILE HG13 H 1 1.915 . . . . . . A 157 ILE HG13 . 25153 1 1890 . 1 1 157 157 ILE HG21 H 1 0.730 . . . . . . A 157 ILE HG21 . 25153 1 1891 . 1 1 157 157 ILE HG22 H 1 0.730 . . . . . . A 157 ILE HG22 . 25153 1 1892 . 1 1 157 157 ILE HG23 H 1 0.730 . . . . . . A 157 ILE HG23 . 25153 1 1893 . 1 1 157 157 ILE HD11 H 1 0.723 . . . . . . A 157 ILE HD11 . 25153 1 1894 . 1 1 157 157 ILE HD12 H 1 0.723 . . . . . . A 157 ILE HD12 . 25153 1 1895 . 1 1 157 157 ILE HD13 H 1 0.723 . . . . . . A 157 ILE HD13 . 25153 1 1896 . 1 1 157 157 ILE C C 13 178.814 . . . . . . A 157 ILE C . 25153 1 1897 . 1 1 157 157 ILE CA C 13 66.694 . . . . . . A 157 ILE CA . 25153 1 1898 . 1 1 157 157 ILE CB C 13 38.853 . . . . . . A 157 ILE CB . 25153 1 1899 . 1 1 157 157 ILE CG1 C 13 31.380 . . . . . . A 157 ILE CG1 . 25153 1 1900 . 1 1 157 157 ILE CG2 C 13 19.060 . . . . . . A 157 ILE CG2 . 25153 1 1901 . 1 1 157 157 ILE CD1 C 13 13.900 . . . . . . A 157 ILE CD1 . 25153 1 1902 . 1 1 157 157 ILE N N 15 118.390 . . . . . . A 157 ILE N . 25153 1 1903 . 1 1 158 158 GLN H H 1 8.394 . . . . . . A 158 GLN H . 25153 1 1904 . 1 1 158 158 GLN HA H 1 3.956 . . . . . . A 158 GLN HA . 25153 1 1905 . 1 1 158 158 GLN HB2 H 1 2.262 . . . . . . A 158 GLN HB2 . 25153 1 1906 . 1 1 158 158 GLN HB3 H 1 2.292 . . . . . . A 158 GLN HB3 . 25153 1 1907 . 1 1 158 158 GLN HG2 H 1 2.477 . . . . . . A 158 GLN HG2 . 25153 1 1908 . 1 1 158 158 GLN HE21 H 1 6.812 . . . . . . A 158 GLN HE21 . 25153 1 1909 . 1 1 158 158 GLN HE22 H 1 7.736 . . . . . . A 158 GLN HE22 . 25153 1 1910 . 1 1 158 158 GLN C C 13 178.843 . . . . . . A 158 GLN C . 25153 1 1911 . 1 1 158 158 GLN CA C 13 60.600 . . . . . . A 158 GLN CA . 25153 1 1912 . 1 1 158 158 GLN CB C 13 28.390 . . . . . . A 158 GLN CB . 25153 1 1913 . 1 1 158 158 GLN CG C 13 33.750 . . . . . . A 158 GLN CG . 25153 1 1914 . 1 1 158 158 GLN N N 15 120.060 . . . . . . A 158 GLN N . 25153 1 1915 . 1 1 158 158 GLN NE2 N 15 112.750 . . . . . . A 158 GLN NE2 . 25153 1 1916 . 1 1 159 159 SER H H 1 8.460 . . . . . . A 159 SER H . 25153 1 1917 . 1 1 159 159 SER HA H 1 4.455 . . . . . . A 159 SER HA . 25153 1 1918 . 1 1 159 159 SER HB2 H 1 4.509 . . . . . . A 159 SER HB2 . 25153 1 1919 . 1 1 159 159 SER HB3 H 1 4.425 . . . . . . A 159 SER HB3 . 25153 1 1920 . 1 1 159 159 SER C C 13 177.330 . . . . . . A 159 SER C . 25153 1 1921 . 1 1 159 159 SER CA C 13 62.400 . . . . . . A 159 SER CA . 25153 1 1922 . 1 1 159 159 SER CB C 13 63.760 . . . . . . A 159 SER CB . 25153 1 1923 . 1 1 159 159 SER N N 15 115.613 . . . . . . A 159 SER N . 25153 1 1924 . 1 1 160 160 TRP H H 1 9.318 . . . . . . A 160 TRP H . 25153 1 1925 . 1 1 160 160 TRP HA H 1 4.465 . . . . . . A 160 TRP HA . 25153 1 1926 . 1 1 160 160 TRP HB2 H 1 3.085 . . . . . . A 160 TRP HB2 . 25153 1 1927 . 1 1 160 160 TRP HB3 H 1 2.753 . . . . . . A 160 TRP HB3 . 25153 1 1928 . 1 1 160 160 TRP HD1 H 1 7.355 . . . . . . A 160 TRP HD1 . 25153 1 1929 . 1 1 160 160 TRP HE1 H 1 11.495 . . . . . . A 160 TRP HE3 . 25153 1 1930 . 1 1 160 160 TRP HE3 H 1 7.435 . . . . . . A 160 TRP HE3 . 25153 1 1931 . 1 1 160 160 TRP HZ2 H 1 7.730 . . . . . . A 160 TRP HZ2 . 25153 1 1932 . 1 1 160 160 TRP HZ3 H 1 6.630 . . . . . . A 160 TRP HZ3 . 25153 1 1933 . 1 1 160 160 TRP HH2 H 1 6.830 . . . . . . A 160 TRP HH2 . 25153 1 1934 . 1 1 160 160 TRP C C 13 178.050 . . . . . . A 160 TRP C . 25153 1 1935 . 1 1 160 160 TRP CA C 13 62.700 . . . . . . A 160 TRP CA . 25153 1 1936 . 1 1 160 160 TRP CB C 13 29.360 . . . . . . A 160 TRP CB . 25153 1 1937 . 1 1 160 160 TRP CD1 C 13 126.220 . . . . . . A 160 TRP CD1 . 25153 1 1938 . 1 1 160 160 TRP CE3 C 13 122.100 . . . . . . A 160 TRP CE3 . 25153 1 1939 . 1 1 160 160 TRP CZ2 C 13 116.060 . . . . . . A 160 TRP CZ2 . 25153 1 1940 . 1 1 160 160 TRP CH2 C 13 123.770 . . . . . . A 160 TRP CH2 . 25153 1 1941 . 1 1 160 160 TRP N N 15 126.820 . . . . . . A 160 TRP N . 25153 1 1942 . 1 1 160 160 TRP NE1 N 15 134.294 . . . . . . A 160 TRP NE1 . 25153 1 1943 . 1 1 161 161 CYS H H 1 8.950 . . . . . . A 161 CYS H . 25153 1 1944 . 1 1 161 161 CYS HA H 1 3.883 . . . . . . A 161 CYS HA . 25153 1 1945 . 1 1 161 161 CYS HB2 H 1 3.185 . . . . . . A 161 CYS HB2 . 25153 1 1946 . 1 1 161 161 CYS HB3 H 1 2.387 . . . . . . A 161 CYS HB3 . 25153 1 1947 . 1 1 161 161 CYS C C 13 176.270 . . . . . . A 161 CYS C . 25153 1 1948 . 1 1 161 161 CYS CA C 13 65.360 . . . . . . A 161 CYS CA . 25153 1 1949 . 1 1 161 161 CYS CB C 13 27.880 . . . . . . A 161 CYS CB . 25153 1 1950 . 1 1 161 161 CYS N N 15 116.750 . . . . . . A 161 CYS N . 25153 1 1951 . 1 1 162 162 GLU H H 1 7.550 . . . . . . A 162 GLU HN . 25153 1 1952 . 1 1 162 162 GLU HA H 1 3.930 . . . . . . A 162 GLU HA . 25153 1 1953 . 1 1 162 162 GLU HB2 H 1 2.238 . . . . . . A 162 GLU HB2 . 25153 1 1954 . 1 1 162 162 GLU HB3 H 1 2.200 . . . . . . A 162 GLU HB3 . 25153 1 1955 . 1 1 162 162 GLU HG2 H 1 2.503 . . . . . . A 162 GLU HG2 . 25153 1 1956 . 1 1 162 162 GLU C C 13 178.680 . . . . . . A 162 GLU C . 25153 1 1957 . 1 1 162 162 GLU CA C 13 59.730 . . . . . . A 162 GLU CA . 25153 1 1958 . 1 1 162 162 GLU CB C 13 29.430 . . . . . . A 162 GLU CB . 25153 1 1959 . 1 1 162 162 GLU CG C 13 36.260 . . . . . . A 162 GLU CG . 25153 1 1960 . 1 1 162 162 GLU N N 15 118.096 . . . . . . A 162 GLU N . 25153 1 1961 . 1 1 163 163 GLN H H 1 8.205 . . . . . . A 163 GLN H . 25153 1 1962 . 1 1 163 163 GLN HA H 1 4.177 . . . . . . A 163 GLN HA . 25153 1 1963 . 1 1 163 163 GLN HB2 H 1 2.510 . . . . . . A 163 GLN HB2 . 25153 1 1964 . 1 1 163 163 GLN HB3 H 1 2.460 . . . . . . A 163 GLN HB3 . 25153 1 1965 . 1 1 163 163 GLN HG2 H 1 2.330 . . . . . . A 163 GLN HG2 . 25153 1 1966 . 1 1 163 163 GLN HG3 H 1 2.525 . . . . . . A 163 GLN HG3 . 25153 1 1967 . 1 1 163 163 GLN HE21 H 1 7.742 . . . . . . A 163 GLN HE21 . 25153 1 1968 . 1 1 163 163 GLN HE22 H 1 7.742 . . . . . . A 163 GLN HE22 . 25153 1 1969 . 1 1 163 163 GLN C C 13 179.690 . . . . . . A 163 GLN C . 25153 1 1970 . 1 1 163 163 GLN CA C 13 59.540 . . . . . . A 163 GLN CA . 25153 1 1971 . 1 1 163 163 GLN CB C 13 29.000 . . . . . . A 163 GLN CB . 25153 1 1972 . 1 1 163 163 GLN CG C 13 32.600 . . . . . . A 163 GLN CG . 25153 1 1973 . 1 1 163 163 GLN N N 15 120.790 . . . . . . A 163 GLN N . 25153 1 1974 . 1 1 163 163 GLN NE2 N 15 110.240 . . . . . . A 163 GLN NE2 . 25153 1 1975 . 1 1 164 164 ILE H H 1 9.005 . . . . . . A 164 ILE H . 25153 1 1976 . 1 1 164 164 ILE HA H 1 4.043 . . . . . . A 164 ILE HA . 25153 1 1977 . 1 1 164 164 ILE HB H 1 1.387 . . . . . . A 164 ILE HB . 25153 1 1978 . 1 1 164 164 ILE HG12 H 1 1.178 . . . . . . A 164 ILE HG12 . 25153 1 1979 . 1 1 164 164 ILE HG13 H 1 1.000 . . . . . . A 164 ILE HG13 . 25153 1 1980 . 1 1 164 164 ILE HG21 H 1 -0.030 . . . . . . A 164 ILE HG21 . 25153 1 1981 . 1 1 164 164 ILE HG22 H 1 -0.030 . . . . . . A 164 ILE HG22 . 25153 1 1982 . 1 1 164 164 ILE HG23 H 1 -0.030 . . . . . . A 164 ILE HG23 . 25153 1 1983 . 1 1 164 164 ILE HD11 H 1 -0.155 . . . . . . A 164 ILE HD11 . 25153 1 1984 . 1 1 164 164 ILE HD12 H 1 -0.155 . . . . . . A 164 ILE HD12 . 25153 1 1985 . 1 1 164 164 ILE HD13 H 1 -0.155 . . . . . . A 164 ILE HD13 . 25153 1 1986 . 1 1 164 164 ILE C C 13 178.680 . . . . . . A 164 ILE C . 25153 1 1987 . 1 1 164 164 ILE CA C 13 66.210 . . . . . . A 164 ILE CA . 25153 1 1988 . 1 1 164 164 ILE CB C 13 37.700 . . . . . . A 164 ILE CB . 25153 1 1989 . 1 1 164 164 ILE CG1 C 13 24.950 . . . . . . A 164 ILE CG1 . 25153 1 1990 . 1 1 164 164 ILE CG2 C 13 17.420 . . . . . . A 164 ILE CG2 . 25153 1 1991 . 1 1 164 164 ILE CD1 C 13 12.465 . . . . . . A 164 ILE CD1 . 25153 1 1992 . 1 1 164 164 ILE N N 15 114.860 . . . . . . A 164 ILE N . 25153 1 1993 . 1 1 165 165 LEU H H 1 7.825 . . . . . . A 165 LEU H . 25153 1 1994 . 1 1 165 165 LEU HA H 1 4.150 . . . . . . A 165 LEU HA . 25153 1 1995 . 1 1 165 165 LEU HB2 H 1 1.935 . . . . . . A 165 LEU HB2 . 25153 1 1996 . 1 1 165 165 LEU HB3 H 1 1.406 . . . . . . A 165 LEU HB3 . 25153 1 1997 . 1 1 165 165 LEU HG H 1 1.845 . . . . . . A 165 LEU HG . 25153 1 1998 . 1 1 165 165 LEU HD11 H 1 0.845 . . . . . . A 165 LEU HD11 . 25153 1 1999 . 1 1 165 165 LEU HD12 H 1 0.845 . . . . . . A 165 LEU HD12 . 25153 1 2000 . 1 1 165 165 LEU HD13 H 1 0.845 . . . . . . A 165 LEU HD13 . 25153 1 2001 . 1 1 165 165 LEU HD21 H 1 0.865 . . . . . . A 165 LEU HD21 . 25153 1 2002 . 1 1 165 165 LEU HD22 H 1 0.865 . . . . . . A 165 LEU HD22 . 25153 1 2003 . 1 1 165 165 LEU HD23 H 1 0.865 . . . . . . A 165 LEU HD23 . 25153 1 2004 . 1 1 165 165 LEU C C 13 180.520 . . . . . . A 165 LEU C . 25153 1 2005 . 1 1 165 165 LEU CA C 13 58.300 . . . . . . A 165 LEU CA . 25153 1 2006 . 1 1 165 165 LEU CB C 13 41.050 . . . . . . A 165 LEU CB . 25153 1 2007 . 1 1 165 165 LEU CG C 13 27.230 . . . . . . A 165 LEU CG . 25153 1 2008 . 1 1 165 165 LEU CD1 C 13 22.470 . . . . . . A 165 LEU CD1 . 25153 1 2009 . 1 1 165 165 LEU CD2 C 13 25.700 . . . . . . A 165 LEU CD2 . 25153 1 2010 . 1 1 165 165 LEU N N 15 123.900 . . . . . . A 165 LEU N . 25153 1 2011 . 1 1 166 166 ASN H H 1 7.760 . . . . . . A 166 ASN H . 25153 1 2012 . 1 1 166 166 ASN HA H 1 4.583 . . . . . . A 166 ASN HA . 25153 1 2013 . 1 1 166 166 ASN HB2 H 1 3.077 . . . . . . A 166 ASN HB2 . 25153 1 2014 . 1 1 166 166 ASN HB3 H 1 2.908 . . . . . . A 166 ASN HB3 . 25153 1 2015 . 1 1 166 166 ASN HD21 H 1 7.646 . . . . . . A 166 ASN HD21 . 25153 1 2016 . 1 1 166 166 ASN HD22 H 1 7.032 . . . . . . A 166 ASN HD22 . 25153 1 2017 . 1 1 166 166 ASN C C 13 178.440 . . . . . . A 166 ASN C . 25153 1 2018 . 1 1 166 166 ASN CA C 13 56.420 . . . . . . A 166 ASN CA . 25153 1 2019 . 1 1 166 166 ASN CB C 13 38.420 . . . . . . A 166 ASN CB . 25153 1 2020 . 1 1 166 166 ASN N N 15 120.112 . . . . . . A 166 ASN N . 25153 1 2021 . 1 1 166 166 ASN ND2 N 15 114.110 . . . . . . A 166 ASN ND2 . 25153 1 2022 . 1 1 167 167 GLU H H 1 8.921 . . . . . . A 167 GLU HN . 25153 1 2023 . 1 1 167 167 GLU HA H 1 4.103 . . . . . . A 167 GLU HA . 25153 1 2024 . 1 1 167 167 GLU HB2 H 1 2.219 . . . . . . A 167 GLU HB2 . 25153 1 2025 . 1 1 167 167 GLU HB3 H 1 2.108 . . . . . . A 167 GLU HB3 . 25153 1 2026 . 1 1 167 167 GLU HG2 H 1 2.768 . . . . . . A 167 GLU HG2 . 25153 1 2027 . 1 1 167 167 GLU HG3 H 1 2.234 . . . . . . A 167 GLU HG3 . 25153 1 2028 . 1 1 167 167 GLU C C 13 180.332 . . . . . . A 167 GLU C . 25153 1 2029 . 1 1 167 167 GLU CA C 13 60.150 . . . . . . A 167 GLU CA . 25153 1 2030 . 1 1 167 167 GLU CB C 13 31.020 . . . . . . A 167 GLU CB . 25153 1 2031 . 1 1 167 167 GLU CG C 13 38.400 . . . . . . A 167 GLU CG . 25153 1 2032 . 1 1 167 167 GLU N N 15 121.370 . . . . . . A 167 GLU N . 25153 1 2033 . 1 1 168 168 MET H H 1 8.718 . . . . . . A 168 MET H . 25153 1 2034 . 1 1 168 168 MET HA H 1 4.015 . . . . . . A 168 MET HA . 25153 1 2035 . 1 1 168 168 MET HB2 H 1 2.261 . . . . . . A 168 MET HB2 . 25153 1 2036 . 1 1 168 168 MET HB3 H 1 2.037 . . . . . . A 168 MET HB3 . 25153 1 2037 . 1 1 168 168 MET HG2 H 1 2.702 . . . . . . A 168 MET HG2 . 25153 1 2038 . 1 1 168 168 MET HG3 H 1 2.746 . . . . . . A 168 MET HG3 . 25153 1 2039 . 1 1 168 168 MET HE1 H 1 1.784 . . . . . . A 168 MET HE1 . 25153 1 2040 . 1 1 168 168 MET HE2 H 1 1.784 . . . . . . A 168 MET HE2 . 25153 1 2041 . 1 1 168 168 MET HE3 H 1 1.784 . . . . . . A 168 MET HE3 . 25153 1 2042 . 1 1 168 168 MET C C 13 176.600 . . . . . . A 168 MET C . 25153 1 2043 . 1 1 168 168 MET CA C 13 59.300 . . . . . . A 168 MET CA . 25153 1 2044 . 1 1 168 168 MET CB C 13 33.400 . . . . . . A 168 MET CB . 25153 1 2045 . 1 1 168 168 MET CG C 13 32.500 . . . . . . A 168 MET CG . 25153 1 2046 . 1 1 168 168 MET CE C 13 17.000 . . . . . . A 168 MET CE . 25153 1 2047 . 1 1 168 168 MET N N 15 118.532 . . . . . . A 168 MET N . 25153 1 2048 . 1 1 169 169 ALA H H 1 7.448 . . . . . . A 169 ALA H . 25153 1 2049 . 1 1 169 169 ALA HA H 1 4.174 . . . . . . A 169 ALA HA . 25153 1 2050 . 1 1 169 169 ALA HB1 H 1 1.562 . . . . . . A 169 ALA HB1 . 25153 1 2051 . 1 1 169 169 ALA HB2 H 1 1.562 . . . . . . A 169 ALA HB2 . 25153 1 2052 . 1 1 169 169 ALA HB3 H 1 1.562 . . . . . . A 169 ALA HB3 . 25153 1 2053 . 1 1 169 169 ALA C C 13 179.410 . . . . . . A 169 ALA C . 25153 1 2054 . 1 1 169 169 ALA CA C 13 54.400 . . . . . . A 169 ALA CA . 25153 1 2055 . 1 1 169 169 ALA CB C 13 18.410 . . . . . . A 169 ALA CB . 25153 1 2056 . 1 1 169 169 ALA N N 15 121.922 . . . . . . A 169 ALA N . 25153 1 2057 . 1 1 170 170 GLU H H 1 7.734 . . . . . . A 170 GLU HN . 25153 1 2058 . 1 1 170 170 GLU HA H 1 4.095 . . . . . . A 170 GLU HA . 25153 1 2059 . 1 1 170 170 GLU HB2 H 1 1.958 . . . . . . A 170 GLU HB2 . 25153 1 2060 . 1 1 170 170 GLU HG2 H 1 2.313 . . . . . . A 170 GLU HG2 . 25153 1 2061 . 1 1 170 170 GLU HG3 H 1 2.168 . . . . . . A 170 GLU HG3 . 25153 1 2062 . 1 1 170 170 GLU C C 13 177.470 . . . . . . A 170 GLU C . 25153 1 2063 . 1 1 170 170 GLU CA C 13 57.950 . . . . . . A 170 GLU CA . 25153 1 2064 . 1 1 170 170 GLU CB C 13 29.775 . . . . . . A 170 GLU CB . 25153 1 2065 . 1 1 170 170 GLU CG C 13 36.100 . . . . . . A 170 GLU CG . 25153 1 2066 . 1 1 170 170 GLU N N 15 117.300 . . . . . . A 170 GLU N . 25153 1 2067 . 1 1 171 171 HIS H H 1 7.788 . . . . . . A 171 HIS H . 25153 1 2068 . 1 1 171 171 HIS HA H 1 4.500 . . . . . . A 171 HIS HA . 25153 1 2069 . 1 1 171 171 HIS HB2 H 1 3.015 . . . . . . A 171 HIS HB2 . 25153 1 2070 . 1 1 171 171 HIS HB3 H 1 2.893 . . . . . . A 171 HIS HB3 . 25153 1 2071 . 1 1 171 171 HIS HD2 H 1 6.670 . . . . . . A 171 HIS HD2 . 25153 1 2072 . 1 1 171 171 HIS HE1 H 1 8.055 . . . . . . A 171 HIS HE1 . 25153 1 2073 . 1 1 171 171 HIS C C 13 175.120 . . . . . . A 171 HIS C . 25153 1 2074 . 1 1 171 171 HIS CA C 13 57.200 . . . . . . A 171 HIS CA . 25153 1 2075 . 1 1 171 171 HIS CB C 13 30.600 . . . . . . A 171 HIS CB . 25153 1 2076 . 1 1 171 171 HIS CD2 C 13 118.880 . . . . . . A 171 HIS CD2 . 25153 1 2077 . 1 1 171 171 HIS CE1 C 13 138.000 . . . . . . A 171 HIS CE1 . 25153 1 2078 . 1 1 171 171 HIS N N 15 117.944 . . . . . . A 171 HIS N . 25153 1 2079 . 1 1 172 172 TYR H H 1 7.820 . . . . . . A 172 TYR H . 25153 1 2080 . 1 1 172 172 TYR HA H 1 4.593 . . . . . . A 172 TYR HA . 25153 1 2081 . 1 1 172 172 TYR HB2 H 1 3.223 . . . . . . A 172 TYR HB2 . 25153 1 2082 . 1 1 172 172 TYR HB3 H 1 2.808 . . . . . . A 172 TYR HB3 . 25153 1 2083 . 1 1 172 172 TYR HD1 H 1 7.160 . . . . . . A 172 TYR HD1 . 25153 1 2084 . 1 1 172 172 TYR HE1 H 1 6.780 . . . . . . A 172 TYR HE1 . 25153 1 2085 . 1 1 172 172 TYR C C 13 174.612 . . . . . . A 172 TYR C . 25153 1 2086 . 1 1 172 172 TYR CA C 13 57.980 . . . . . . A 172 TYR CA . 25153 1 2087 . 1 1 172 172 TYR CB C 13 38.980 . . . . . . A 172 TYR CB . 25153 1 2088 . 1 1 172 172 TYR CD1 C 13 133.120 . . . . . . A 172 TYR CD1 . 25153 1 2089 . 1 1 172 172 TYR CE1 C 13 118.180 . . . . . . A 172 TYR CE1 . 25153 1 2090 . 1 1 172 172 TYR N N 15 120.040 . . . . . . A 172 TYR N . 25153 1 2091 . 1 1 173 173 ALA H H 1 7.553 . . . . . . A 173 ALA HN . 25153 1 2092 . 1 1 173 173 ALA HA H 1 4.096 . . . . . . A 173 ALA HA . 25153 1 2093 . 1 1 173 173 ALA CA C 13 54.230 . . . . . . A 173 ALA CA . 25153 1 2094 . 1 1 173 173 ALA N N 15 130.670 . . . . . . A 173 ALA N . 25153 1 stop_ save_