data_50094 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50094 _Entry.Title ; The N-terminal PARP-like domain of TASOR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-28 _Entry.Accession_date 2019-11-28 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'The Assignment of the N-terminal PARP-like domain of TASOR (residues 106-332).' _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 Christopher Douse . H. . . 50094 2 Richard Timms . T. . . 50094 3 Iva Tchasovnikarova . A. . . 50094 4 Jane Wagstaff . L. . . 50094 5 Stefan Freund . M.V. . . 50094 6 Paul Lehner . J. . . 50094 7 Yorgo Modis . . . . 50094 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Studies Division, MRC Laboratory of Molecular Biology,' . 50094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 50094 '15N chemical shifts' 169 50094 '1H chemical shifts' 169 50094 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 . . 2021-08-13 . original BMRB . 50094 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50094 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33009411 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; TASOR is a pseudo-PARP that directs HUSH complex assembly and epigenetic transposon control ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4940 _Citation.Page_last 4940 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christopher Douse C. H. . . 50094 1 2 Iva Tchasovnikarova I. A. . . 50094 1 3 Richard Timms R. T. . . 50094 1 4 Anna Protasio A. V. . . 50094 1 5 Marta Seczynska M. . . . 50094 1 6 Daniil Prigozhin D. M. . . 50094 1 7 Anna Albecka A. . . . 50094 1 8 Jane Wagstaff J. . . . 50094 1 9 James Williamson J. C. . . 50094 1 10 Stefan Freund . . . . 50094 1 11 Paul Lehner P. J. . . 50094 1 12 Yorgo Modis Y. . . . 50094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50094 _Assembly.ID 1 _Assembly.Name 'PARP-like domain of TASOR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26692.6 _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 'PARP-like domain of TASOR' 1 $entity_1 . . yes native no no . . . 50094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PARP-like domain of TASOR' _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 ; GSHMSREKKALFQPLTPGSR EFEDVVNIMHSSYLEPTSVT NFNYRRACLVHNELLEKEFT EKRRELKFDGRLDKELSESY AFLMVDRYQVQTICEKGLHV GQSKITILGSPSMGVYLSRY ADLLQANPLDTGAMGDVVIF KIMKGKIKSIYDPMGVKSLE SMLNKSALDPTPKHECHVSK NANRITSLLAYRAYELTQYY FYEYGFDELRRRPRHVCPYA VVSFTYKDDIQ ; _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 231 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50094 1 2 . SER . 50094 1 3 . HIS . 50094 1 4 . MET . 50094 1 5 . SER . 50094 1 6 . ARG . 50094 1 7 . GLU . 50094 1 8 . LYS . 50094 1 9 . LYS . 50094 1 10 . ALA . 50094 1 11 . LEU . 50094 1 12 . PHE . 50094 1 13 . GLN . 50094 1 14 . PRO . 50094 1 15 . LEU . 50094 1 16 . THR . 50094 1 17 . PRO . 50094 1 18 . GLY . 50094 1 19 . SER . 50094 1 20 . ARG . 50094 1 21 . GLU . 50094 1 22 . PHE . 50094 1 23 . GLU . 50094 1 24 . ASP . 50094 1 25 . VAL . 50094 1 26 . VAL . 50094 1 27 . ASN . 50094 1 28 . ILE . 50094 1 29 . MET . 50094 1 30 . HIS . 50094 1 31 . SER . 50094 1 32 . SER . 50094 1 33 . TYR . 50094 1 34 . LEU . 50094 1 35 . GLU . 50094 1 36 . PRO . 50094 1 37 . THR . 50094 1 38 . SER . 50094 1 39 . VAL . 50094 1 40 . THR . 50094 1 41 . ASN . 50094 1 42 . PHE . 50094 1 43 . ASN . 50094 1 44 . TYR . 50094 1 45 . ARG . 50094 1 46 . ARG . 50094 1 47 . ALA . 50094 1 48 . CYS . 50094 1 49 . LEU . 50094 1 50 . VAL . 50094 1 51 . HIS . 50094 1 52 . ASN . 50094 1 53 . GLU . 50094 1 54 . LEU . 50094 1 55 . LEU . 50094 1 56 . GLU . 50094 1 57 . LYS . 50094 1 58 . GLU . 50094 1 59 . PHE . 50094 1 60 . THR . 50094 1 61 . GLU . 50094 1 62 . LYS . 50094 1 63 . ARG . 50094 1 64 . ARG . 50094 1 65 . GLU . 50094 1 66 . LEU . 50094 1 67 . LYS . 50094 1 68 . PHE . 50094 1 69 . ASP . 50094 1 70 . GLY . 50094 1 71 . ARG . 50094 1 72 . LEU . 50094 1 73 . ASP . 50094 1 74 . LYS . 50094 1 75 . GLU . 50094 1 76 . LEU . 50094 1 77 . SER . 50094 1 78 . GLU . 50094 1 79 . SER . 50094 1 80 . TYR . 50094 1 81 . ALA . 50094 1 82 . PHE . 50094 1 83 . LEU . 50094 1 84 . MET . 50094 1 85 . VAL . 50094 1 86 . ASP . 50094 1 87 . ARG . 50094 1 88 . TYR . 50094 1 89 . GLN . 50094 1 90 . VAL . 50094 1 91 . GLN . 50094 1 92 . THR . 50094 1 93 . ILE . 50094 1 94 . CYS . 50094 1 95 . GLU . 50094 1 96 . LYS . 50094 1 97 . GLY . 50094 1 98 . LEU . 50094 1 99 . HIS . 50094 1 100 . VAL . 50094 1 101 . GLY . 50094 1 102 . GLN . 50094 1 103 . SER . 50094 1 104 . LYS . 50094 1 105 . ILE . 50094 1 106 . THR . 50094 1 107 . ILE . 50094 1 108 . LEU . 50094 1 109 . GLY . 50094 1 110 . SER . 50094 1 111 . PRO . 50094 1 112 . SER . 50094 1 113 . MET . 50094 1 114 . GLY . 50094 1 115 . VAL . 50094 1 116 . TYR . 50094 1 117 . LEU . 50094 1 118 . SER . 50094 1 119 . ARG . 50094 1 120 . TYR . 50094 1 121 . ALA . 50094 1 122 . ASP . 50094 1 123 . LEU . 50094 1 124 . LEU . 50094 1 125 . GLN . 50094 1 126 . ALA . 50094 1 127 . ASN . 50094 1 128 . PRO . 50094 1 129 . LEU . 50094 1 130 . ASP . 50094 1 131 . THR . 50094 1 132 . GLY . 50094 1 133 . ALA . 50094 1 134 . MET . 50094 1 135 . GLY . 50094 1 136 . ASP . 50094 1 137 . VAL . 50094 1 138 . VAL . 50094 1 139 . ILE . 50094 1 140 . PHE . 50094 1 141 . LYS . 50094 1 142 . ILE . 50094 1 143 . MET . 50094 1 144 . LYS . 50094 1 145 . GLY . 50094 1 146 . LYS . 50094 1 147 . ILE . 50094 1 148 . LYS . 50094 1 149 . SER . 50094 1 150 . ILE . 50094 1 151 . TYR . 50094 1 152 . ASP . 50094 1 153 . PRO . 50094 1 154 . MET . 50094 1 155 . GLY . 50094 1 156 . VAL . 50094 1 157 . LYS . 50094 1 158 . SER . 50094 1 159 . LEU . 50094 1 160 . GLU . 50094 1 161 . SER . 50094 1 162 . MET . 50094 1 163 . LEU . 50094 1 164 . ASN . 50094 1 165 . LYS . 50094 1 166 . SER . 50094 1 167 . ALA . 50094 1 168 . LEU . 50094 1 169 . ASP . 50094 1 170 . PRO . 50094 1 171 . THR . 50094 1 172 . PRO . 50094 1 173 . LYS . 50094 1 174 . HIS . 50094 1 175 . GLU . 50094 1 176 . CYS . 50094 1 177 . HIS . 50094 1 178 . VAL . 50094 1 179 . SER . 50094 1 180 . LYS . 50094 1 181 . ASN . 50094 1 182 . ALA . 50094 1 183 . ASN . 50094 1 184 . ARG . 50094 1 185 . ILE . 50094 1 186 . THR . 50094 1 187 . SER . 50094 1 188 . LEU . 50094 1 189 . LEU . 50094 1 190 . ALA . 50094 1 191 . TYR . 50094 1 192 . ARG . 50094 1 193 . ALA . 50094 1 194 . TYR . 50094 1 195 . GLU . 50094 1 196 . LEU . 50094 1 197 . THR . 50094 1 198 . GLN . 50094 1 199 . TYR . 50094 1 200 . TYR . 50094 1 201 . PHE . 50094 1 202 . TYR . 50094 1 203 . GLU . 50094 1 204 . TYR . 50094 1 205 . GLY . 50094 1 206 . PHE . 50094 1 207 . ASP . 50094 1 208 . GLU . 50094 1 209 . LEU . 50094 1 210 . ARG . 50094 1 211 . ARG . 50094 1 212 . ARG . 50094 1 213 . PRO . 50094 1 214 . ARG . 50094 1 215 . HIS . 50094 1 216 . VAL . 50094 1 217 . CYS . 50094 1 218 . PRO . 50094 1 219 . TYR . 50094 1 220 . ALA . 50094 1 221 . VAL . 50094 1 222 . VAL . 50094 1 223 . SER . 50094 1 224 . PHE . 50094 1 225 . THR . 50094 1 226 . TYR . 50094 1 227 . LYS . 50094 1 228 . ASP . 50094 1 229 . ASP . 50094 1 230 . ILE . 50094 1 231 . GLN . 50094 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50094 1 . SER 2 2 50094 1 . HIS 3 3 50094 1 . MET 4 4 50094 1 . SER 5 5 50094 1 . ARG 6 6 50094 1 . GLU 7 7 50094 1 . LYS 8 8 50094 1 . LYS 9 9 50094 1 . ALA 10 10 50094 1 . LEU 11 11 50094 1 . PHE 12 12 50094 1 . GLN 13 13 50094 1 . PRO 14 14 50094 1 . LEU 15 15 50094 1 . THR 16 16 50094 1 . PRO 17 17 50094 1 . GLY 18 18 50094 1 . SER 19 19 50094 1 . ARG 20 20 50094 1 . GLU 21 21 50094 1 . PHE 22 22 50094 1 . GLU 23 23 50094 1 . ASP 24 24 50094 1 . VAL 25 25 50094 1 . VAL 26 26 50094 1 . ASN 27 27 50094 1 . ILE 28 28 50094 1 . MET 29 29 50094 1 . HIS 30 30 50094 1 . SER 31 31 50094 1 . SER 32 32 50094 1 . TYR 33 33 50094 1 . LEU 34 34 50094 1 . GLU 35 35 50094 1 . PRO 36 36 50094 1 . THR 37 37 50094 1 . SER 38 38 50094 1 . VAL 39 39 50094 1 . THR 40 40 50094 1 . ASN 41 41 50094 1 . PHE 42 42 50094 1 . ASN 43 43 50094 1 . TYR 44 44 50094 1 . ARG 45 45 50094 1 . ARG 46 46 50094 1 . ALA 47 47 50094 1 . CYS 48 48 50094 1 . LEU 49 49 50094 1 . VAL 50 50 50094 1 . HIS 51 51 50094 1 . ASN 52 52 50094 1 . GLU 53 53 50094 1 . LEU 54 54 50094 1 . LEU 55 55 50094 1 . GLU 56 56 50094 1 . LYS 57 57 50094 1 . GLU 58 58 50094 1 . PHE 59 59 50094 1 . THR 60 60 50094 1 . GLU 61 61 50094 1 . LYS 62 62 50094 1 . ARG 63 63 50094 1 . ARG 64 64 50094 1 . GLU 65 65 50094 1 . LEU 66 66 50094 1 . LYS 67 67 50094 1 . PHE 68 68 50094 1 . ASP 69 69 50094 1 . GLY 70 70 50094 1 . ARG 71 71 50094 1 . LEU 72 72 50094 1 . ASP 73 73 50094 1 . LYS 74 74 50094 1 . GLU 75 75 50094 1 . LEU 76 76 50094 1 . SER 77 77 50094 1 . GLU 78 78 50094 1 . SER 79 79 50094 1 . TYR 80 80 50094 1 . ALA 81 81 50094 1 . PHE 82 82 50094 1 . LEU 83 83 50094 1 . MET 84 84 50094 1 . VAL 85 85 50094 1 . ASP 86 86 50094 1 . ARG 87 87 50094 1 . TYR 88 88 50094 1 . GLN 89 89 50094 1 . VAL 90 90 50094 1 . GLN 91 91 50094 1 . THR 92 92 50094 1 . ILE 93 93 50094 1 . CYS 94 94 50094 1 . GLU 95 95 50094 1 . LYS 96 96 50094 1 . GLY 97 97 50094 1 . LEU 98 98 50094 1 . HIS 99 99 50094 1 . VAL 100 100 50094 1 . GLY 101 101 50094 1 . GLN 102 102 50094 1 . SER 103 103 50094 1 . LYS 104 104 50094 1 . ILE 105 105 50094 1 . THR 106 106 50094 1 . ILE 107 107 50094 1 . LEU 108 108 50094 1 . GLY 109 109 50094 1 . SER 110 110 50094 1 . PRO 111 111 50094 1 . SER 112 112 50094 1 . MET 113 113 50094 1 . GLY 114 114 50094 1 . VAL 115 115 50094 1 . TYR 116 116 50094 1 . LEU 117 117 50094 1 . SER 118 118 50094 1 . ARG 119 119 50094 1 . TYR 120 120 50094 1 . ALA 121 121 50094 1 . ASP 122 122 50094 1 . LEU 123 123 50094 1 . LEU 124 124 50094 1 . GLN 125 125 50094 1 . ALA 126 126 50094 1 . ASN 127 127 50094 1 . PRO 128 128 50094 1 . LEU 129 129 50094 1 . ASP 130 130 50094 1 . THR 131 131 50094 1 . GLY 132 132 50094 1 . ALA 133 133 50094 1 . MET 134 134 50094 1 . GLY 135 135 50094 1 . ASP 136 136 50094 1 . VAL 137 137 50094 1 . VAL 138 138 50094 1 . ILE 139 139 50094 1 . PHE 140 140 50094 1 . LYS 141 141 50094 1 . ILE 142 142 50094 1 . MET 143 143 50094 1 . LYS 144 144 50094 1 . GLY 145 145 50094 1 . LYS 146 146 50094 1 . ILE 147 147 50094 1 . LYS 148 148 50094 1 . SER 149 149 50094 1 . ILE 150 150 50094 1 . TYR 151 151 50094 1 . ASP 152 152 50094 1 . PRO 153 153 50094 1 . MET 154 154 50094 1 . GLY 155 155 50094 1 . VAL 156 156 50094 1 . LYS 157 157 50094 1 . SER 158 158 50094 1 . LEU 159 159 50094 1 . GLU 160 160 50094 1 . SER 161 161 50094 1 . MET 162 162 50094 1 . LEU 163 163 50094 1 . ASN 164 164 50094 1 . LYS 165 165 50094 1 . SER 166 166 50094 1 . ALA 167 167 50094 1 . LEU 168 168 50094 1 . ASP 169 169 50094 1 . PRO 170 170 50094 1 . THR 171 171 50094 1 . PRO 172 172 50094 1 . LYS 173 173 50094 1 . HIS 174 174 50094 1 . GLU 175 175 50094 1 . CYS 176 176 50094 1 . HIS 177 177 50094 1 . VAL 178 178 50094 1 . SER 179 179 50094 1 . LYS 180 180 50094 1 . ASN 181 181 50094 1 . ALA 182 182 50094 1 . ASN 183 183 50094 1 . ARG 184 184 50094 1 . ILE 185 185 50094 1 . THR 186 186 50094 1 . SER 187 187 50094 1 . LEU 188 188 50094 1 . LEU 189 189 50094 1 . ALA 190 190 50094 1 . TYR 191 191 50094 1 . ARG 192 192 50094 1 . ALA 193 193 50094 1 . TYR 194 194 50094 1 . GLU 195 195 50094 1 . LEU 196 196 50094 1 . THR 197 197 50094 1 . GLN 198 198 50094 1 . TYR 199 199 50094 1 . TYR 200 200 50094 1 . PHE 201 201 50094 1 . TYR 202 202 50094 1 . GLU 203 203 50094 1 . TYR 204 204 50094 1 . GLY 205 205 50094 1 . PHE 206 206 50094 1 . ASP 207 207 50094 1 . GLU 208 208 50094 1 . LEU 209 209 50094 1 . ARG 210 210 50094 1 . ARG 211 211 50094 1 . ARG 212 212 50094 1 . PRO 213 213 50094 1 . ARG 214 214 50094 1 . HIS 215 215 50094 1 . VAL 216 216 50094 1 . CYS 217 217 50094 1 . PRO 218 218 50094 1 . TYR 219 219 50094 1 . ALA 220 220 50094 1 . VAL 221 221 50094 1 . VAL 222 222 50094 1 . SER 223 223 50094 1 . PHE 224 224 50094 1 . THR 225 225 50094 1 . TYR 226 226 50094 1 . LYS 227 227 50094 1 . ASP 228 228 50094 1 . ASP 229 229 50094 1 . ILE 230 230 50094 1 . GLN 231 231 50094 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50094 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50094 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50094 _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' . . . . . BL21 DE3 . plasmid . . pET-15b . . . 50094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50094 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Singly labelled protein; 15N labelled PARP-like N-terminal TASOR domain' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50094 1 2 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 50094 1 3 'PARP-like domain of TASOR' '[U-95% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 50094 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50094 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50094 1 6 D20 '[U-99% 2H]' . . . . . . 5 . . % . . . . 50094 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50094 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Doubly labelled protein; 15N/13C labelled PARP-like N-terminal TASOR domain' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50094 2 2 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 50094 2 3 'PARP-like domain of TASOR' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 50094 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50094 2 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50094 2 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 50094 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50094 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Triply labelled protein, this sample was also refolded due to back exchange issues; 2H/13C/15N labelled PARP-like N-terminal TASOR domain. ; _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50094 3 2 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 50094 3 3 'PARP-like domain of TASOR' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 100 . . uM . . . . 50094 3 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 50094 3 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50094 3 6 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 50094 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50094 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'All sample conditions' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 175 . mM 50094 1 pH 7 . pH 50094 1 pressure 1 . atm 50094 1 temperature 298 . K 50094 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50094 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50094 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50094 1 processing . 50094 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50094 _Software.ID 2 _Software.Type . _Software.Name MARS _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Raghavendran Lakshmi Narayanan & Young-Sang Jung & Markus Zweckstetter' . . 50094 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50094 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50094 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50094 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50094 3 'peak picking' . 50094 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50094 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Maxim Mayzel & Vladislav Orekhov' . . 50094 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing 'compressed sensing' 50094 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50094 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 BEST-TROSY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 2 trHNCO no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 3 trHNCACO no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 4 trHNCA no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 5 trHNCOCA no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 6 trHNCACB no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 7 trHNCOCACB no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50094 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50094 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50094 1 H 1 DSS 'methyl protons' . . . . ppm 1 external indirect 1 . . . . . 50094 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50094 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 trHNCO . . . 50094 1 3 trHNCACO . . . 50094 1 4 trHNCA . . . 50094 1 5 trHNCOCA . . . 50094 1 6 trHNCACB . . . 50094 1 7 trHNCOCACB . . . 50094 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'spectrometer error' C 13 2.6 . 50094 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_2 . . 50094 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 7 7 GLU C C 13 175.647 . . 1 . . . . . 7 E CO . 50094 1 2 . 1 . 1 7 7 GLU CA C 13 55.455 . . 1 . . . . . 7 E CA . 50094 1 3 . 1 . 1 7 7 GLU CB C 13 28.825 . . 1 . . . . . 7 E CB . 50094 1 4 . 1 . 1 8 8 LYS H H 1 8.178 . . 1 . . . . . 8 K HN . 50094 1 5 . 1 . 1 8 8 LYS CA C 13 55.028 . . 1 . . . . . 8 K CA . 50094 1 6 . 1 . 1 8 8 LYS CB C 13 31.275 . . 1 . . . . . 8 K CB . 50094 1 7 . 1 . 1 8 8 LYS N N 15 123.407 . . 1 . . . . . 8 K N . 50094 1 8 . 1 . 1 9 9 LYS H H 1 8.231 . . 1 . . . . . 9 K HN . 50094 1 9 . 1 . 1 9 9 LYS C C 13 175.590 . . 1 . . . . . 9 K CO . 50094 1 10 . 1 . 1 9 9 LYS CB C 13 31.725 . . 1 . . . . . 9 K CB . 50094 1 11 . 1 . 1 9 9 LYS N N 15 123.814 . . 1 . . . . . 9 K N . 50094 1 12 . 1 . 1 10 10 ALA H H 1 8.135 . . 1 . . . . . 10 A HN . 50094 1 13 . 1 . 1 10 10 ALA C C 13 176.129 . . 1 . . . . . 10 A CO . 50094 1 14 . 1 . 1 10 10 ALA CA C 13 51.017 . . 1 . . . . . 10 A CA . 50094 1 15 . 1 . 1 10 10 ALA CB C 13 17.899 . . 1 . . . . . 10 A CB . 50094 1 16 . 1 . 1 10 10 ALA N N 15 126.691 . . 1 . . . . . 10 A N . 50094 1 17 . 1 . 1 11 11 LEU H H 1 7.851 . . 1 . . . . . 11 L HN . 50094 1 18 . 1 . 1 11 11 LEU C C 13 174.838 . . 1 . . . . . 11 L CO . 50094 1 19 . 1 . 1 11 11 LEU CA C 13 55.691 . . 1 . . . . . 11 L CA . 50094 1 20 . 1 . 1 11 11 LEU CB C 13 41.151 . . 1 . . . . . 11 L CB . 50094 1 21 . 1 . 1 11 11 LEU N N 15 122.253 . . 1 . . . . . 11 L N . 50094 1 22 . 1 . 1 12 12 PHE H H 1 7.517 . . 1 . . . . . 12 F HN . 50094 1 23 . 1 . 1 12 12 PHE C C 13 175.040 . . 1 . . . . . 12 F CO . 50094 1 24 . 1 . 1 12 12 PHE CA C 13 53.963 . . 1 . . . . . 12 F CA . 50094 1 25 . 1 . 1 12 12 PHE CB C 13 40.101 . . 1 . . . . . 12 F CB . 50094 1 26 . 1 . 1 12 12 PHE N N 15 111.071 . . 1 . . . . . 12 F N . 50094 1 27 . 1 . 1 13 13 GLN H H 1 8.987 . . 1 . . . . . 13 Q HN . 50094 1 28 . 1 . 1 13 13 GLN C C 13 172.158 . . 1 . . . . . 13 Q CO . 50094 1 29 . 1 . 1 13 13 GLN CA C 13 50.283 . . 1 . . . . . 13 Q CA . 50094 1 30 . 1 . 1 13 13 GLN CB C 13 28.900 . . 1 . . . . . 13 Q CB . 50094 1 31 . 1 . 1 13 13 GLN N N 15 123.639 . . 1 . . . . . 13 Q N . 50094 1 32 . 1 . 1 14 14 PRO C C 13 175.831 . . 1 . . . . . 14 P CO . 50094 1 33 . 1 . 1 14 14 PRO CA C 13 62.520 . . 1 . . . . . 14 P CA . 50094 1 34 . 1 . 1 14 14 PRO CB C 13 30.900 . . 1 . . . . . 14 P CB . 50094 1 35 . 1 . 1 15 15 LEU H H 1 8.531 . . 1 . . . . . 15 L HN . 50094 1 36 . 1 . 1 15 15 LEU C C 13 176.390 . . 1 . . . . . 15 L CO . 50094 1 37 . 1 . 1 15 15 LEU CA C 13 51.431 . . 1 . . . . . 15 L CA . 50094 1 38 . 1 . 1 15 15 LEU CB C 13 42.551 . . 1 . . . . . 15 L CB . 50094 1 39 . 1 . 1 15 15 LEU N N 15 123.169 . . 1 . . . . . 15 L N . 50094 1 40 . 1 . 1 16 16 THR H H 1 9.107 . . 1 . . . . . 16 T HN . 50094 1 41 . 1 . 1 16 16 THR C C 13 172.254 . . 1 . . . . . 16 T CO . 50094 1 42 . 1 . 1 16 16 THR CA C 13 59.668 . . 1 . . . . . 16 T CA . 50094 1 43 . 1 . 1 16 16 THR CB C 13 68.653 . . 1 . . . . . 16 T CB . 50094 1 44 . 1 . 1 16 16 THR N N 15 121.686 . . 1 . . . . . 16 T N . 50094 1 45 . 1 . 1 17 17 PRO C C 13 179.503 . . 1 . . . . . 17 P CO . 50094 1 46 . 1 . 1 17 17 PRO CA C 13 63.111 . . 1 . . . . . 17 P CA . 50094 1 47 . 1 . 1 17 17 PRO CB C 13 28.550 . . 1 . . . . . 17 P CB . 50094 1 48 . 1 . 1 18 18 GLY H H 1 7.510 . . 1 . . . . . 18 G HN . 50094 1 49 . 1 . 1 18 18 GLY CA C 13 44.058 . . 1 . . . . . 18 G CA . 50094 1 50 . 1 . 1 18 18 GLY N N 15 112.919 . . 1 . . . . . 18 G N . 50094 1 51 . 1 . 1 19 19 SER H H 1 7.816 . . 1 . . . . . 19 S HN . 50094 1 52 . 1 . 1 19 19 SER C C 13 174.076 . . 1 . . . . . 19 S CO . 50094 1 53 . 1 . 1 19 19 SER CA C 13 56.733 . . 1 . . . . . 19 S CA . 50094 1 54 . 1 . 1 19 19 SER CB C 13 65.053 . . 1 . . . . . 19 S CB . 50094 1 55 . 1 . 1 19 19 SER N N 15 115.526 . . 1 . . . . . 19 S N . 50094 1 56 . 1 . 1 20 20 ARG H H 1 7.715 . . 1 . . . . . 20 R HN . 50094 1 57 . 1 . 1 20 20 ARG C C 13 175.879 . . 1 . . . . . 20 R CO . 50094 1 58 . 1 . 1 20 20 ARG CA C 13 56.401 . . 1 . . . . . 20 R CA . 50094 1 59 . 1 . 1 20 20 ARG CB C 13 30.625 . . 1 . . . . . 20 R CB . 50094 1 60 . 1 . 1 20 20 ARG N N 15 123.910 . . 1 . . . . . 20 R N . 50094 1 61 . 1 . 1 21 21 GLU H H 1 9.343 . . 1 . . . . . 21 E HN . 50094 1 62 . 1 . 1 21 21 GLU C C 13 178.356 . . 1 . . . . . 21 E CO . 50094 1 63 . 1 . 1 21 21 GLU CA C 13 59.324 . . 1 . . . . . 21 E CA . 50094 1 64 . 1 . 1 21 21 GLU N N 15 117.040 . . 1 . . . . . 21 E N . 50094 1 65 . 1 . 1 22 22 PHE H H 1 7.487 . . 1 . . . . . 22 F HN . 50094 1 66 . 1 . 1 22 22 PHE C C 13 176.573 . . 1 . . . . . 22 F CO . 50094 1 67 . 1 . 1 22 22 PHE CA C 13 60.046 . . 1 . . . . . 22 F CA . 50094 1 68 . 1 . 1 22 22 PHE CB C 13 39.026 . . 1 . . . . . 22 F CB . 50094 1 69 . 1 . 1 22 22 PHE N N 15 121.226 . . 1 . . . . . 22 F N . 50094 1 70 . 1 . 1 23 23 GLU H H 1 8.317 . . 1 . . . . . 23 E HN . 50094 1 71 . 1 . 1 23 23 GLU C C 13 178.549 . . 1 . . . . . 23 E CO . 50094 1 72 . 1 . 1 23 23 GLU CA C 13 58.094 . . 1 . . . . . 23 E CA . 50094 1 73 . 1 . 1 23 23 GLU CB C 13 27.600 . . 1 . . . . . 23 E CB . 50094 1 74 . 1 . 1 23 23 GLU N N 15 118.876 . . 1 . . . . . 23 E N . 50094 1 75 . 1 . 1 24 24 ASP H H 1 8.399 . . 1 . . . . . 24 D HN . 50094 1 76 . 1 . 1 24 24 ASP C C 13 178.385 . . 1 . . . . . 24 D CO . 50094 1 77 . 1 . 1 24 24 ASP CA C 13 56.389 . . 1 . . . . . 24 D CA . 50094 1 78 . 1 . 1 24 24 ASP CB C 13 38.826 . . 1 . . . . . 24 D CB . 50094 1 79 . 1 . 1 24 24 ASP N N 15 120.426 . . 1 . . . . . 24 D N . 50094 1 80 . 1 . 1 25 25 VAL H H 1 7.127 . . 1 . . . . . 25 V HN . 50094 1 81 . 1 . 1 25 25 VAL C C 13 176.766 . . 1 . . . . . 25 V CO . 50094 1 82 . 1 . 1 25 25 VAL CA C 13 65.265 . . 1 . . . . . 25 V CA . 50094 1 83 . 1 . 1 25 25 VAL CB C 13 29.250 . . 1 . . . . . 25 V CB . 50094 1 84 . 1 . 1 25 25 VAL N N 15 121.190 . . 1 . . . . . 25 V N . 50094 1 85 . 1 . 1 26 26 VAL C C 13 176.544 . . 1 . . . . . 26 V CO . 50094 1 86 . 1 . 1 26 26 VAL CA C 13 65.608 . . 1 . . . . . 26 V CA . 50094 1 87 . 1 . 1 26 26 VAL CB C 13 29.000 . . 1 . . . . . 26 V CB . 50094 1 88 . 1 . 1 27 27 ASN H H 1 8.257 . . 1 . . . . . 27 N HN . 50094 1 89 . 1 . 1 27 27 ASN C C 13 177.874 . . 1 . . . . . 27 N CO . 50094 1 90 . 1 . 1 27 27 ASN CA C 13 55.407 . . 1 . . . . . 27 N CA . 50094 1 91 . 1 . 1 27 27 ASN CB C 13 37.226 . . 1 . . . . . 27 N CB . 50094 1 92 . 1 . 1 27 27 ASN N N 15 117.622 . . 1 . . . . . 27 N N . 50094 1 93 . 1 . 1 28 28 ILE H H 1 7.302 . . 1 . . . . . 28 I HN . 50094 1 94 . 1 . 1 28 28 ILE C C 13 177.527 . . 1 . . . . . 28 I CO . 50094 1 95 . 1 . 1 28 28 ILE CA C 13 64.756 . . 1 . . . . . 28 I CA . 50094 1 96 . 1 . 1 28 28 ILE CB C 13 36.226 . . 1 . . . . . 28 I CB . 50094 1 97 . 1 . 1 28 28 ILE N N 15 122.642 . . 1 . . . . . 28 I N . 50094 1 98 . 1 . 1 29 29 MET C C 13 176.698 . . 1 . . . . . 29 M CO . 50094 1 99 . 1 . 1 29 29 MET CA C 13 57.431 . . 1 . . . . . 29 M CA . 50094 1 100 . 1 . 1 29 29 MET CB C 13 37.676 . . 1 . . . . . 29 M CB . 50094 1 101 . 1 . 1 30 30 HIS H H 1 8.367 . . 1 . . . . . 30 H HN . 50094 1 102 . 1 . 1 30 30 HIS C C 13 177.874 . . 1 . . . . . 30 H CO . 50094 1 103 . 1 . 1 30 30 HIS CA C 13 54.875 . . 1 . . . . . 30 H CA . 50094 1 104 . 1 . 1 30 30 HIS CB C 13 29.975 . . 1 . . . . . 30 H CB . 50094 1 105 . 1 . 1 30 30 HIS N N 15 115.374 . . 1 . . . . . 30 H N . 50094 1 106 . 1 . 1 31 31 SER H H 1 7.875 . . 1 . . . . . 31 S HN . 50094 1 107 . 1 . 1 31 31 SER CA C 13 59.099 . . 1 . . . . . 31 S CA . 50094 1 108 . 1 . 1 31 31 SER CB C 13 62.303 . . 1 . . . . . 31 S CB . 50094 1 109 . 1 . 1 31 31 SER N N 15 112.616 . . 1 . . . . . 31 S N . 50094 1 110 . 1 . 1 32 32 SER H H 1 7.293 . . 1 . . . . . 32 S HN . 50094 1 111 . 1 . 1 32 32 SER CA C 13 56.283 . . 1 . . . . . 32 S CA . 50094 1 112 . 1 . 1 32 32 SER CB C 13 63.328 . . 1 . . . . . 32 S CB . 50094 1 113 . 1 . 1 32 32 SER N N 15 116.951 . . 1 . . . . . 32 S N . 50094 1 114 . 1 . 1 33 33 TYR H H 1 7.186 . . 1 . . . . . 33 Y HN . 50094 1 115 . 1 . 1 33 33 TYR C C 13 177.055 . . 1 . . . . . 33 Y CO . 50094 1 116 . 1 . 1 33 33 TYR CA C 13 52.957 . . 1 . . . . . 33 Y CA . 50094 1 117 . 1 . 1 33 33 TYR CB C 13 36.476 . . 1 . . . . . 33 Y CB . 50094 1 118 . 1 . 1 33 33 TYR N N 15 121.511 . . 1 . . . . . 33 Y N . 50094 1 119 . 1 . 1 36 36 PRO C C 13 178.607 . . 1 . . . . . 36 P CO . 50094 1 120 . 1 . 1 36 36 PRO CA C 13 63.928 . . 1 . . . . . 36 P CA . 50094 1 121 . 1 . 1 36 36 PRO CB C 13 30.550 . . 1 . . . . . 36 P CB . 50094 1 122 . 1 . 1 37 37 THR H H 1 7.446 . . 1 . . . . . 37 T HN . 50094 1 123 . 1 . 1 37 37 THR C C 13 175.647 . . 1 . . . . . 37 T CO . 50094 1 124 . 1 . 1 37 37 THR CA C 13 62.176 . . 1 . . . . . 37 T CA . 50094 1 125 . 1 . 1 37 37 THR CB C 13 67.553 . . 1 . . . . . 37 T CB . 50094 1 126 . 1 . 1 37 37 THR N N 15 106.791 . . 1 . . . . . 37 T N . 50094 1 127 . 1 . 1 38 38 SER H H 1 8.406 . . 1 . . . . . 38 S HN . 50094 1 128 . 1 . 1 38 38 SER C C 13 174.346 . . 1 . . . . . 38 S CO . 50094 1 129 . 1 . 1 38 38 SER CA C 13 60.602 . . 1 . . . . . 38 S CA . 50094 1 130 . 1 . 1 38 38 SER CB C 13 59.777 . . 1 . . . . . 38 S CB . 50094 1 131 . 1 . 1 38 38 SER N N 15 121.731 . . 1 . . . . . 38 S N . 50094 1 132 . 1 . 1 39 39 VAL H H 1 7.159 . . 1 . . . . . 39 V HN . 50094 1 133 . 1 . 1 39 39 VAL C C 13 176.081 . . 1 . . . . . 39 V CO . 50094 1 134 . 1 . 1 39 39 VAL CA C 13 63.833 . . 1 . . . . . 39 V CA . 50094 1 135 . 1 . 1 39 39 VAL CB C 13 30.675 . . 1 . . . . . 39 V CB . 50094 1 136 . 1 . 1 39 39 VAL N N 15 119.432 . . 1 . . . . . 39 V N . 50094 1 137 . 1 . 1 40 40 THR H H 1 7.236 . . 1 . . . . . 40 T HN . 50094 1 138 . 1 . 1 40 40 THR C C 13 174.298 . . 1 . . . . . 40 T CO . 50094 1 139 . 1 . 1 40 40 THR CA C 13 61.952 . . 1 . . . . . 40 T CA . 50094 1 140 . 1 . 1 40 40 THR CB C 13 67.753 . . 1 . . . . . 40 T CB . 50094 1 141 . 1 . 1 40 40 THR N N 15 110.423 . . 1 . . . . . 40 T N . 50094 1 142 . 1 . 1 41 41 ASN H H 1 7.395 . . 1 . . . . . 41 N HN . 50094 1 143 . 1 . 1 41 41 ASN C C 13 173.864 . . 1 . . . . . 41 N CO . 50094 1 144 . 1 . 1 41 41 ASN CA C 13 52.733 . . 1 . . . . . 41 N CA . 50094 1 145 . 1 . 1 41 41 ASN CB C 13 39.001 . . 1 . . . . . 41 N CB . 50094 1 146 . 1 . 1 41 41 ASN N N 15 117.432 . . 1 . . . . . 41 N N . 50094 1 147 . 1 . 1 42 42 PHE H H 1 6.894 . . 1 . . . . . 42 F HN . 50094 1 148 . 1 . 1 42 42 PHE C C 13 173.093 . . 1 . . . . . 42 F CO . 50094 1 149 . 1 . 1 42 42 PHE CA C 13 57.537 . . 1 . . . . . 42 F CA . 50094 1 150 . 1 . 1 42 42 PHE CB C 13 40.351 . . 1 . . . . . 42 F CB . 50094 1 151 . 1 . 1 42 42 PHE N N 15 116.182 . . 1 . . . . . 42 F N . 50094 1 152 . 1 . 1 43 43 ASN H H 1 8.543 . . 1 . . . . . 43 N HN . 50094 1 153 . 1 . 1 43 43 ASN C C 13 174.558 . . 1 . . . . . 43 N CO . 50094 1 154 . 1 . 1 43 43 ASN CA C 13 50.626 . . 1 . . . . . 43 N CA . 50094 1 155 . 1 . 1 43 43 ASN CB C 13 38.276 . . 1 . . . . . 43 N CB . 50094 1 156 . 1 . 1 43 43 ASN N N 15 121.996 . . 1 . . . . . 43 N N . 50094 1 157 . 1 . 1 44 44 TYR H H 1 8.867 . . 1 . . . . . 44 Y HN . 50094 1 158 . 1 . 1 44 44 TYR C C 13 174.134 . . 1 . . . . . 44 Y CO . 50094 1 159 . 1 . 1 44 44 TYR CA C 13 57.206 . . 1 . . . . . 44 Y CA . 50094 1 160 . 1 . 1 44 44 TYR CB C 13 35.350 . . 1 . . . . . 44 Y CB . 50094 1 161 . 1 . 1 44 44 TYR N N 15 125.395 . . 1 . . . . . 44 Y N . 50094 1 162 . 1 . 1 45 45 ARG H H 1 8.287 . . 1 . . . . . 45 R HN . 50094 1 163 . 1 . 1 45 45 ARG C C 13 175.869 . . 1 . . . . . 45 R CO . 50094 1 164 . 1 . 1 45 45 ARG CA C 13 55.892 . . 1 . . . . . 45 R CA . 50094 1 165 . 1 . 1 45 45 ARG CB C 13 30.975 . . 1 . . . . . 45 R CB . 50094 1 166 . 1 . 1 45 45 ARG N N 15 123.112 . . 1 . . . . . 45 R N . 50094 1 167 . 1 . 1 46 46 ARG H H 1 7.673 . . 1 . . . . . 46 R HN . 50094 1 168 . 1 . 1 46 46 ARG C C 13 173.199 . . 1 . . . . . 46 R CO . 50094 1 169 . 1 . 1 46 46 ARG CA C 13 53.703 . . 1 . . . . . 46 R CA . 50094 1 170 . 1 . 1 46 46 ARG CB C 13 32.600 . . 1 . . . . . 46 R CB . 50094 1 171 . 1 . 1 46 46 ARG N N 15 115.830 . . 1 . . . . . 46 R N . 50094 1 172 . 1 . 1 47 47 ALA H H 1 9.074 . . 1 . . . . . 47 A HN . 50094 1 173 . 1 . 1 47 47 ALA C C 13 174.732 . . 1 . . . . . 47 A CO . 50094 1 174 . 1 . 1 47 47 ALA CA C 13 50.366 . . 1 . . . . . 47 A CA . 50094 1 175 . 1 . 1 47 47 ALA CB C 13 21.349 . . 1 . . . . . 47 A CB . 50094 1 176 . 1 . 1 47 47 ALA N N 15 123.335 . . 1 . . . . . 47 A N . 50094 1 177 . 1 . 1 48 48 CYS C C 13 173.681 . . 1 . . . . . 48 C CO . 50094 1 178 . 1 . 1 48 48 CYS CA C 13 54.401 . . 1 . . . . . 48 C CA . 50094 1 179 . 1 . 1 48 48 CYS CB C 13 30.175 . . 1 . . . . . 48 C CB . 50094 1 180 . 1 . 1 49 49 LEU H H 1 8.189 . . 1 . . . . . 49 L HN . 50094 1 181 . 1 . 1 49 49 LEU C C 13 175.021 . . 1 . . . . . 49 L CO . 50094 1 182 . 1 . 1 49 49 LEU CA C 13 53.123 . . 1 . . . . . 49 L CA . 50094 1 183 . 1 . 1 49 49 LEU CB C 13 41.701 . . 1 . . . . . 49 L CB . 50094 1 184 . 1 . 1 49 49 LEU N N 15 121.614 . . 1 . . . . . 49 L N . 50094 1 185 . 1 . 1 50 50 VAL C C 13 174.134 . . 1 . . . . . 50 V CO . 50094 1 186 . 1 . 1 50 50 VAL CA C 13 59.620 . . 1 . . . . . 50 V CA . 50094 1 187 . 1 . 1 50 50 VAL CB C 13 31.175 . . 1 . . . . . 50 V CB . 50094 1 188 . 1 . 1 51 51 HIS H H 1 9.135 . . 1 . . . . . 51 H HN . 50094 1 189 . 1 . 1 51 51 HIS C C 13 172.110 . . 1 . . . . . 51 H CO . 50094 1 190 . 1 . 1 51 51 HIS CA C 13 52.591 . . 1 . . . . . 51 H CA . 50094 1 191 . 1 . 1 51 51 HIS CB C 13 28.450 . . 1 . . . . . 51 H CB . 50094 1 192 . 1 . 1 51 51 HIS N N 15 127.668 . . 1 . . . . . 51 H N . 50094 1 193 . 1 . 1 52 52 ASN H H 1 8.786 . . 1 . . . . . 52 N HN . 50094 1 194 . 1 . 1 52 52 ASN C C 13 173.459 . . 1 . . . . . 52 N CO . 50094 1 195 . 1 . 1 52 52 ASN CA C 13 50.733 . . 1 . . . . . 52 N CA . 50094 1 196 . 1 . 1 52 52 ASN CB C 13 37.126 . . 1 . . . . . 52 N CB . 50094 1 197 . 1 . 1 52 52 ASN N N 15 123.598 . . 1 . . . . . 52 N N . 50094 1 198 . 1 . 1 53 53 GLU H H 1 8.546 . . 1 . . . . . 53 E HN . 50094 1 199 . 1 . 1 53 53 GLU C C 13 177.710 . . 1 . . . . . 53 E CO . 50094 1 200 . 1 . 1 53 53 GLU CA C 13 58.815 . . 1 . . . . . 53 E CA . 50094 1 201 . 1 . 1 53 53 GLU CB C 13 28.350 . . 1 . . . . . 53 E CB . 50094 1 202 . 1 . 1 53 53 GLU N N 15 124.860 . . 1 . . . . . 53 E N . 50094 1 203 . 1 . 1 54 54 LEU H H 1 7.719 . . 1 . . . . . 54 L HN . 50094 1 204 . 1 . 1 54 54 LEU C C 13 178.240 . . 1 . . . . . 54 L CO . 50094 1 205 . 1 . 1 54 54 LEU CA C 13 57.170 . . 1 . . . . . 54 L CA . 50094 1 206 . 1 . 1 54 54 LEU CB C 13 40.026 . . 1 . . . . . 54 L CB . 50094 1 207 . 1 . 1 54 54 LEU N N 15 120.582 . . 1 . . . . . 54 L N . 50094 1 208 . 1 . 1 55 55 LEU H H 1 7.241 . . 1 . . . . . 55 L HN . 50094 1 209 . 1 . 1 55 55 LEU C C 13 180.486 . . 1 . . . . . 55 L CO . 50094 1 210 . 1 . 1 55 55 LEU CA C 13 56.437 . . 1 . . . . . 55 L CA . 50094 1 211 . 1 . 1 55 55 LEU CB C 13 39.376 . . 1 . . . . . 55 L CB . 50094 1 212 . 1 . 1 55 55 LEU N N 15 116.983 . . 1 . . . . . 55 L N . 50094 1 213 . 1 . 1 56 56 GLU H H 1 8.483 . . 1 . . . . . 56 E HN . 50094 1 214 . 1 . 1 56 56 GLU C C 13 178.905 . . 1 . . . . . 56 E CO . 50094 1 215 . 1 . 1 56 56 GLU CA C 13 58.342 . . 1 . . . . . 56 E CA . 50094 1 216 . 1 . 1 56 56 GLU CB C 13 27.625 . . 1 . . . . . 56 E CB . 50094 1 217 . 1 . 1 56 56 GLU N N 15 122.059 . . 1 . . . . . 56 E N . 50094 1 218 . 1 . 1 57 57 LYS H H 1 8.129 . . 1 . . . . . 57 K HN . 50094 1 219 . 1 . 1 57 57 LYS C C 13 176.129 . . 1 . . . . . 57 K CO . 50094 1 220 . 1 . 1 57 57 LYS CB C 13 30.500 . . 1 . . . . . 57 K CB . 50094 1 221 . 1 . 1 57 57 LYS N N 15 122.953 . . 1 . . . . . 57 K N . 50094 1 222 . 1 . 1 58 58 GLU H H 1 8.018 . . 1 . . . . . 58 E HN . 50094 1 223 . 1 . 1 58 58 GLU C C 13 177.209 . . 1 . . . . . 58 E CO . 50094 1 224 . 1 . 1 58 58 GLU CA C 13 59.017 . . 1 . . . . . 58 E CA . 50094 1 225 . 1 . 1 58 58 GLU CB C 13 28.075 . . 1 . . . . . 58 E CB . 50094 1 226 . 1 . 1 58 58 GLU N N 15 118.567 . . 1 . . . . . 58 E N . 50094 1 227 . 1 . 1 59 59 PHE H H 1 7.937 . . 1 . . . . . 59 F HN . 50094 1 228 . 1 . 1 59 59 PHE C C 13 176.534 . . 1 . . . . . 59 F CO . 50094 1 229 . 1 . 1 59 59 PHE CA C 13 60.449 . . 1 . . . . . 59 F CA . 50094 1 230 . 1 . 1 59 59 PHE CB C 13 38.376 . . 1 . . . . . 59 F CB . 50094 1 231 . 1 . 1 59 59 PHE N N 15 122.942 . . 1 . . . . . 59 F N . 50094 1 232 . 1 . 1 60 60 THR H H 1 8.218 . . 1 . . . . . 60 T HN . 50094 1 233 . 1 . 1 60 60 THR CA C 13 65.443 . . 1 . . . . . 60 T CA . 50094 1 234 . 1 . 1 60 60 THR CB C 13 67.578 . . 1 . . . . . 60 T CB . 50094 1 235 . 1 . 1 60 60 THR N N 15 116.203 . . 1 . . . . . 60 T N . 50094 1 236 . 1 . 1 61 61 GLU H H 1 8.497 . . 1 . . . . . 61 E HN . 50094 1 237 . 1 . 1 61 61 GLU C C 13 177.980 . . 1 . . . . . 61 E CO . 50094 1 238 . 1 . 1 61 61 GLU CA C 13 58.307 . . 1 . . . . . 61 E CA . 50094 1 239 . 1 . 1 61 61 GLU CB C 13 27.550 . . 1 . . . . . 61 E CB . 50094 1 240 . 1 . 1 61 61 GLU N N 15 124.228 . . 1 . . . . . 61 E N . 50094 1 241 . 1 . 1 62 62 LYS H H 1 8.120 . . 1 . . . . . 62 K HN . 50094 1 242 . 1 . 1 62 62 LYS C C 13 176.447 . . 1 . . . . . 62 K CO . 50094 1 243 . 1 . 1 62 62 LYS CB C 13 29.900 . . 1 . . . . . 62 K CB . 50094 1 244 . 1 . 1 62 62 LYS N N 15 121.354 . . 1 . . . . . 62 K N . 50094 1 245 . 1 . 1 63 63 ARG H H 1 7.901 . . 1 . . . . . 63 R HN . 50094 1 246 . 1 . 1 63 63 ARG CA C 13 59.170 . . 1 . . . . . 63 R CA . 50094 1 247 . 1 . 1 63 63 ARG CB C 13 28.000 . . 1 . . . . . 63 R CB . 50094 1 248 . 1 . 1 63 63 ARG N N 15 120.467 . . 1 . . . . . 63 R N . 50094 1 249 . 1 . 1 64 64 ARG H H 1 7.559 . . 1 . . . . . 64 R HN . 50094 1 250 . 1 . 1 64 64 ARG C C 13 178.664 . . 1 . . . . . 64 R CO . 50094 1 251 . 1 . 1 64 64 ARG CA C 13 58.508 . . 1 . . . . . 64 R CA . 50094 1 252 . 1 . 1 64 64 ARG N N 15 118.368 . . 1 . . . . . 64 R N . 50094 1 253 . 1 . 1 65 65 GLU H H 1 8.032 . . 1 . . . . . 65 E HN . 50094 1 254 . 1 . 1 65 65 GLU C C 13 179.204 . . 1 . . . . . 65 E CO . 50094 1 255 . 1 . 1 65 65 GLU CB C 13 28.800 . . 1 . . . . . 65 E CB . 50094 1 256 . 1 . 1 65 65 GLU N N 15 120.363 . . 1 . . . . . 65 E N . 50094 1 257 . 1 . 1 66 66 LEU H H 1 8.283 . . 1 . . . . . 66 L HN . 50094 1 258 . 1 . 1 66 66 LEU C C 13 178.848 . . 1 . . . . . 66 L CO . 50094 1 259 . 1 . 1 66 66 LEU CA C 13 56.247 . . 1 . . . . . 66 L CA . 50094 1 260 . 1 . 1 66 66 LEU CB C 13 40.026 . . 1 . . . . . 66 L CB . 50094 1 261 . 1 . 1 66 66 LEU N N 15 119.945 . . 1 . . . . . 66 L N . 50094 1 262 . 1 . 1 67 67 LYS H H 1 8.144 . . 1 . . . . . 67 K HN . 50094 1 263 . 1 . 1 67 67 LYS C C 13 180.390 . . 1 . . . . . 67 K CO . 50094 1 264 . 1 . 1 67 67 LYS CA C 13 57.762 . . 1 . . . . . 67 K CA . 50094 1 265 . 1 . 1 67 67 LYS CB C 13 29.700 . . 1 . . . . . 67 K CB . 50094 1 266 . 1 . 1 67 67 LYS N N 15 121.472 . . 1 . . . . . 67 K N . 50094 1 267 . 1 . 1 68 68 PHE H H 1 8.101 . . 1 . . . . . 68 F HN . 50094 1 268 . 1 . 1 68 68 PHE C C 13 176.447 . . 1 . . . . . 68 F CO . 50094 1 269 . 1 . 1 68 68 PHE CA C 13 59.573 . . 1 . . . . . 68 F CA . 50094 1 270 . 1 . 1 68 68 PHE CB C 13 36.951 . . 1 . . . . . 68 F CB . 50094 1 271 . 1 . 1 68 68 PHE N N 15 122.094 . . 1 . . . . . 68 F N . 50094 1 272 . 1 . 1 69 69 ASP H H 1 7.840 . . 1 . . . . . 69 D HN . 50094 1 273 . 1 . 1 69 69 ASP C C 13 175.811 . . 1 . . . . . 69 D CO . 50094 1 274 . 1 . 1 69 69 ASP CA C 13 53.750 . . 1 . . . . . 69 D CA . 50094 1 275 . 1 . 1 69 69 ASP CB C 13 40.451 . . 1 . . . . . 69 D CB . 50094 1 276 . 1 . 1 69 69 ASP N N 15 119.061 . . 1 . . . . . 69 D N . 50094 1 277 . 1 . 1 70 70 GLY H H 1 7.478 . . 1 . . . . . 70 G HN . 50094 1 278 . 1 . 1 70 70 GLY C C 13 175.069 . . 1 . . . . . 70 G CO . 50094 1 279 . 1 . 1 70 70 GLY CA C 13 44.378 . . 1 . . . . . 70 G CA . 50094 1 280 . 1 . 1 70 70 GLY N N 15 105.492 . . 1 . . . . . 70 G N . 50094 1 281 . 1 . 1 71 71 ARG H H 1 7.826 . . 1 . . . . . 71 R HN . 50094 1 282 . 1 . 1 71 71 ARG C C 13 175.416 . . 1 . . . . . 71 R CO . 50094 1 283 . 1 . 1 71 71 ARG CA C 13 54.094 . . 1 . . . . . 71 R CA . 50094 1 284 . 1 . 1 71 71 ARG CB C 13 27.450 . . 1 . . . . . 71 R CB . 50094 1 285 . 1 . 1 71 71 ARG N N 15 119.182 . . 1 . . . . . 71 R N . 50094 1 286 . 1 . 1 72 72 LEU H H 1 8.791 . . 1 . . . . . 72 L HN . 50094 1 287 . 1 . 1 72 72 LEU C C 13 178.115 . . 1 . . . . . 72 L CO . 50094 1 288 . 1 . 1 72 72 LEU CA C 13 52.638 . . 1 . . . . . 72 L CA . 50094 1 289 . 1 . 1 72 72 LEU CB C 13 41.451 . . 1 . . . . . 72 L CB . 50094 1 290 . 1 . 1 72 72 LEU N N 15 122.449 . . 1 . . . . . 72 L N . 50094 1 291 . 1 . 1 74 74 LYS C C 13 177.951 . . 1 . . . . . 74 K CO . 50094 1 292 . 1 . 1 74 74 LYS CA C 13 57.490 . . 1 . . . . . 74 K CA . 50094 1 293 . 1 . 1 74 74 LYS CB C 13 30.175 . . 1 . . . . . 74 K CB . 50094 1 294 . 1 . 1 75 75 GLU H H 1 7.280 . . 1 . . . . . 75 E HN . 50094 1 295 . 1 . 1 75 75 GLU C C 13 175.840 . . 1 . . . . . 75 E CO . 50094 1 296 . 1 . 1 75 75 GLU CA C 13 56.011 . . 1 . . . . . 75 E CA . 50094 1 297 . 1 . 1 75 75 GLU CB C 13 28.350 . . 1 . . . . . 75 E CB . 50094 1 298 . 1 . 1 75 75 GLU N N 15 118.783 . . 1 . . . . . 75 E N . 50094 1 299 . 1 . 1 76 76 LEU H H 1 7.181 . . 1 . . . . . 76 L HN . 50094 1 300 . 1 . 1 76 76 LEU C C 13 175.349 . . 1 . . . . . 76 L CO . 50094 1 301 . 1 . 1 76 76 LEU CA C 13 52.342 . . 1 . . . . . 76 L CA . 50094 1 302 . 1 . 1 76 76 LEU CB C 13 39.926 . . 1 . . . . . 76 L CB . 50094 1 303 . 1 . 1 76 76 LEU N N 15 117.827 . . 1 . . . . . 76 L N . 50094 1 304 . 1 . 1 77 77 SER H H 1 6.957 . . 1 . . . . . 77 S HN . 50094 1 305 . 1 . 1 77 77 SER C C 13 173.556 . . 1 . . . . . 77 S CO . 50094 1 306 . 1 . 1 77 77 SER CA C 13 57.750 . . 1 . . . . . 77 S CA . 50094 1 307 . 1 . 1 77 77 SER CB C 13 62.628 . . 1 . . . . . 77 S CB . 50094 1 308 . 1 . 1 77 77 SER N N 15 114.838 . . 1 . . . . . 77 S N . 50094 1 309 . 1 . 1 78 78 GLU H H 1 8.708 . . 1 . . . . . 78 E HN . 50094 1 310 . 1 . 1 78 78 GLU C C 13 175.551 . . 1 . . . . . 78 E CO . 50094 1 311 . 1 . 1 78 78 GLU CA C 13 55.786 . . 1 . . . . . 78 E CA . 50094 1 312 . 1 . 1 78 78 GLU CB C 13 28.625 . . 1 . . . . . 78 E CB . 50094 1 313 . 1 . 1 78 78 GLU N N 15 124.854 . . 1 . . . . . 78 E N . 50094 1 314 . 1 . 1 79 79 SER H H 1 8.208 . . 1 . . . . . 79 S HN . 50094 1 315 . 1 . 1 79 79 SER C C 13 170.606 . . 1 . . . . . 79 S CO . 50094 1 316 . 1 . 1 79 79 SER CB C 13 63.178 . . 1 . . . . . 79 S CB . 50094 1 317 . 1 . 1 79 79 SER N N 15 119.670 . . 1 . . . . . 79 S N . 50094 1 318 . 1 . 1 80 80 TYR H H 1 8.058 . . 1 . . . . . 80 Y HN . 50094 1 319 . 1 . 1 80 80 TYR C C 13 173.479 . . 1 . . . . . 80 Y CO . 50094 1 320 . 1 . 1 80 80 TYR CB C 13 40.551 . . 1 . . . . . 80 Y CB . 50094 1 321 . 1 . 1 80 80 TYR N N 15 117.161 . . 1 . . . . . 80 Y N . 50094 1 322 . 1 . 1 81 81 ALA H H 1 8.277 . . 1 . . . . . 81 A HN . 50094 1 323 . 1 . 1 81 81 ALA C C 13 173.903 . . 1 . . . . . 81 A CO . 50094 1 324 . 1 . 1 81 81 ALA CA C 13 50.756 . . 1 . . . . . 81 A CA . 50094 1 325 . 1 . 1 81 81 ALA N N 15 125.064 . . 1 . . . . . 81 A N . 50094 1 326 . 1 . 1 83 83 LEU CB C 13 47.786 . . 1 . . . . . 83 L CB . 50094 1 327 . 1 . 1 84 84 MET H H 1 9.604 . . 1 . . . . . 84 M HN . 50094 1 328 . 1 . 1 84 84 MET CA C 13 54.697 . . 1 . . . . . 84 M CA . 50094 1 329 . 1 . 1 84 84 MET CB C 13 33.460 . . 1 . . . . . 84 M CB . 50094 1 330 . 1 . 1 84 84 MET N N 15 130.663 . . 1 . . . . . 84 M N . 50094 1 331 . 1 . 1 85 85 VAL C C 13 174.221 . . 1 . . . . . 85 V CO . 50094 1 332 . 1 . 1 85 85 VAL CA C 13 58.186 . . 1 . . . . . 85 V CA . 50094 1 333 . 1 . 1 85 85 VAL CB C 13 34.500 . . 1 . . . . . 85 V CB . 50094 1 334 . 1 . 1 86 86 ASP H H 1 8.252 . . 1 . . . . . 86 D HN . 50094 1 335 . 1 . 1 86 86 ASP C C 13 176.939 . . 1 . . . . . 86 D CO . 50094 1 336 . 1 . 1 86 86 ASP CA C 13 53.194 . . 1 . . . . . 86 D CA . 50094 1 337 . 1 . 1 86 86 ASP CB C 13 41.326 . . 1 . . . . . 86 D CB . 50094 1 338 . 1 . 1 86 86 ASP N N 15 121.757 . . 1 . . . . . 86 D N . 50094 1 339 . 1 . 1 87 87 ARG H H 1 8.389 . . 1 . . . . . 87 R HN . 50094 1 340 . 1 . 1 87 87 ARG C C 13 177.903 . . 1 . . . . . 87 R CO . 50094 1 341 . 1 . 1 87 87 ARG CA C 13 57.952 . . 1 . . . . . 87 R CA . 50094 1 342 . 1 . 1 87 87 ARG CB C 13 27.825 . . 1 . . . . . 87 R CB . 50094 1 343 . 1 . 1 87 87 ARG N N 15 121.844 . . 1 . . . . . 87 R N . 50094 1 344 . 1 . 1 88 88 TYR H H 1 8.151 . . 1 . . . . . 88 Y HN . 50094 1 345 . 1 . 1 88 88 TYR C C 13 176.467 . . 1 . . . . . 88 Y CO . 50094 1 346 . 1 . 1 88 88 TYR CA C 13 58.756 . . 1 . . . . . 88 Y CA . 50094 1 347 . 1 . 1 88 88 TYR CB C 13 35.600 . . 1 . . . . . 88 Y CB . 50094 1 348 . 1 . 1 88 88 TYR N N 15 117.990 . . 1 . . . . . 88 Y N . 50094 1 349 . 1 . 1 89 89 GLN H H 1 7.998 . . 1 . . . . . 89 Q HN . 50094 1 350 . 1 . 1 89 89 GLN C C 13 176.216 . . 1 . . . . . 89 Q CO . 50094 1 351 . 1 . 1 89 89 GLN CA C 13 55.514 . . 1 . . . . . 89 Q CA . 50094 1 352 . 1 . 1 89 89 GLN CB C 13 28.625 . . 1 . . . . . 89 Q CB . 50094 1 353 . 1 . 1 89 89 GLN N N 15 119.194 . . 1 . . . . . 89 Q N . 50094 1 354 . 1 . 1 90 90 VAL H H 1 7.430 . . 1 . . . . . 90 V HN . 50094 1 355 . 1 . 1 90 90 VAL C C 13 176.746 . . 1 . . . . . 90 V CO . 50094 1 356 . 1 . 1 90 90 VAL CA C 13 66.721 . . 1 . . . . . 90 V CA . 50094 1 357 . 1 . 1 90 90 VAL CB C 13 30.575 . . 1 . . . . . 90 V CB . 50094 1 358 . 1 . 1 90 90 VAL N N 15 119.662 . . 1 . . . . . 90 V N . 50094 1 359 . 1 . 1 91 91 GLN H H 1 8.125 . . 1 . . . . . 91 Q HN . 50094 1 360 . 1 . 1 91 91 GLN CA C 13 59.218 . . 1 . . . . . 91 Q CA . 50094 1 361 . 1 . 1 91 91 GLN CB C 13 25.825 . . 1 . . . . . 91 Q CB . 50094 1 362 . 1 . 1 91 91 GLN N N 15 118.472 . . 1 . . . . . 91 Q N . 50094 1 363 . 1 . 1 92 92 THR H H 1 7.753 . . 1 . . . . . 92 T HN . 50094 1 364 . 1 . 1 92 92 THR CA C 13 65.277 . . 1 . . . . . 92 T CA . 50094 1 365 . 1 . 1 92 92 THR CB C 13 67.453 . . 1 . . . . . 92 T CB . 50094 1 366 . 1 . 1 92 92 THR N N 15 113.785 . . 1 . . . . . 92 T N . 50094 1 367 . 1 . 1 93 93 ILE H H 1 8.116 . . 1 . . . . . 93 I HN . 50094 1 368 . 1 . 1 93 93 ILE C C 13 177.267 . . 1 . . . . . 93 I CO . 50094 1 369 . 1 . 1 93 93 ILE CA C 13 63.514 . . 1 . . . . . 93 I CA . 50094 1 370 . 1 . 1 93 93 ILE CB C 13 36.001 . . 1 . . . . . 93 I CB . 50094 1 371 . 1 . 1 93 93 ILE N N 15 122.516 . . 1 . . . . . 93 I N . 50094 1 372 . 1 . 1 94 94 CYS H H 1 6.852 . . 1 . . . . . 94 C HN . 50094 1 373 . 1 . 1 94 94 CYS C C 13 173.536 . . 1 . . . . . 94 C CO . 50094 1 374 . 1 . 1 94 94 CYS CA C 13 62.819 . . 1 . . . . . 94 C CA . 50094 1 375 . 1 . 1 94 94 CYS CB C 13 26.425 . . 1 . . . . . 94 C CB . 50094 1 376 . 1 . 1 94 94 CYS N N 15 122.890 . . 1 . . . . . 94 C N . 50094 1 377 . 1 . 1 95 95 GLU H H 1 8.199 . . 1 . . . . . 95 E HN . 50094 1 378 . 1 . 1 95 95 GLU C C 13 177.546 . . 1 . . . . . 95 E CO . 50094 1 379 . 1 . 1 95 95 GLU CA C 13 57.573 . . 1 . . . . . 95 E CA . 50094 1 380 . 1 . 1 95 95 GLU CB C 13 29.975 . . 1 . . . . . 95 E CB . 50094 1 381 . 1 . 1 95 95 GLU N N 15 117.717 . . 1 . . . . . 95 E N . 50094 1 382 . 1 . 1 96 96 LYS H H 1 8.488 . . 1 . . . . . 96 K HN . 50094 1 383 . 1 . 1 96 96 LYS C C 13 176.698 . . 1 . . . . . 96 K CO . 50094 1 384 . 1 . 1 96 96 LYS CA C 13 54.638 . . 1 . . . . . 96 K CA . 50094 1 385 . 1 . 1 96 96 LYS CB C 13 32.350 . . 1 . . . . . 96 K CB . 50094 1 386 . 1 . 1 96 96 LYS N N 15 115.409 . . 1 . . . . . 96 K N . 50094 1 387 . 1 . 1 97 97 GLY H H 1 7.608 . . 1 . . . . . 97 G HN . 50094 1 388 . 1 . 1 97 97 GLY C C 13 176.023 . . 1 . . . . . 97 G CO . 50094 1 389 . 1 . 1 97 97 GLY CA C 13 43.159 . . 1 . . . . . 97 G CA . 50094 1 390 . 1 . 1 97 97 GLY N N 15 108.648 . . 1 . . . . . 97 G N . 50094 1 391 . 1 . 1 98 98 LEU H H 1 8.240 . . 1 . . . . . 98 L HN . 50094 1 392 . 1 . 1 98 98 LEU C C 13 174.038 . . 1 . . . . . 98 L CO . 50094 1 393 . 1 . 1 98 98 LEU CA C 13 53.762 . . 1 . . . . . 98 L CA . 50094 1 394 . 1 . 1 98 98 LEU CB C 13 41.351 . . 1 . . . . . 98 L CB . 50094 1 395 . 1 . 1 98 98 LEU N N 15 122.065 . . 1 . . . . . 98 L N . 50094 1 396 . 1 . 1 99 99 HIS H H 1 8.670 . . 1 . . . . . 99 H HN . 50094 1 397 . 1 . 1 99 99 HIS C C 13 175.590 . . 1 . . . . . 99 H CO . 50094 1 398 . 1 . 1 99 99 HIS CA C 13 54.082 . . 1 . . . . . 99 H CA . 50094 1 399 . 1 . 1 99 99 HIS CB C 13 31.325 . . 1 . . . . . 99 H CB . 50094 1 400 . 1 . 1 99 99 HIS N N 15 127.529 . . 1 . . . . . 99 H N . 50094 1 401 . 1 . 1 100 100 VAL H H 1 8.217 . . 1 . . . . . 100 V HN . 50094 1 402 . 1 . 1 100 100 VAL C C 13 175.647 . . 1 . . . . . 100 V CO . 50094 1 403 . 1 . 1 100 100 VAL CA C 13 60.733 . . 1 . . . . . 100 V CA . 50094 1 404 . 1 . 1 100 100 VAL CB C 13 30.650 . . 1 . . . . . 100 V CB . 50094 1 405 . 1 . 1 100 100 VAL N N 15 111.846 . . 1 . . . . . 100 V N . 50094 1 406 . 1 . 1 101 101 GLY H H 1 8.413 . . 1 . . . . . 101 G HN . 50094 1 407 . 1 . 1 101 101 GLY C C 13 174.317 . . 1 . . . . . 101 G CO . 50094 1 408 . 1 . 1 101 101 GLY CA C 13 44.460 . . 1 . . . . . 101 G CA . 50094 1 409 . 1 . 1 101 101 GLY N N 15 108.571 . . 1 . . . . . 101 G N . 50094 1 410 . 1 . 1 102 102 GLN H H 1 8.116 . . 1 . . . . . 102 Q HN . 50094 1 411 . 1 . 1 102 102 GLN C C 13 175.088 . . 1 . . . . . 102 Q CO . 50094 1 412 . 1 . 1 102 102 GLN CA C 13 55.277 . . 1 . . . . . 102 Q CA . 50094 1 413 . 1 . 1 102 102 GLN CB C 13 27.325 . . 1 . . . . . 102 Q CB . 50094 1 414 . 1 . 1 102 102 GLN N N 15 118.859 . . 1 . . . . . 102 Q N . 50094 1 415 . 1 . 1 103 103 SER H H 1 7.901 . . 1 . . . . . 103 S HN . 50094 1 416 . 1 . 1 103 103 SER C C 13 172.929 . . 1 . . . . . 103 S CO . 50094 1 417 . 1 . 1 103 103 SER CA C 13 56.401 . . 1 . . . . . 103 S CA . 50094 1 418 . 1 . 1 103 103 SER CB C 13 64.228 . . 1 . . . . . 103 S CB . 50094 1 419 . 1 . 1 103 103 SER N N 15 113.475 . . 1 . . . . . 103 S N . 50094 1 420 . 1 . 1 104 104 LYS H H 1 8.384 . . 1 . . . . . 104 K HN . 50094 1 421 . 1 . 1 104 104 LYS CA C 13 54.188 . . 1 . . . . . 104 K CA . 50094 1 422 . 1 . 1 104 104 LYS N N 15 120.797 . . 1 . . . . . 104 K N . 50094 1 423 . 1 . 1 105 105 ILE H H 1 7.820 . . 1 . . . . . 105 I HN . 50094 1 424 . 1 . 1 105 105 ILE C C 13 173.083 . . 1 . . . . . 105 I CO . 50094 1 425 . 1 . 1 105 105 ILE CA C 13 61.514 . . 1 . . . . . 105 I CA . 50094 1 426 . 1 . 1 105 105 ILE CB C 13 36.176 . . 1 . . . . . 105 I CB . 50094 1 427 . 1 . 1 105 105 ILE N N 15 124.940 . . 1 . . . . . 105 I N . 50094 1 428 . 1 . 1 106 106 THR H H 1 7.938 . . 1 . . . . . 106 T HN . 50094 1 429 . 1 . 1 106 106 THR C C 13 179.050 . . 1 . . . . . 106 T CO . 50094 1 430 . 1 . 1 106 106 THR CA C 13 59.892 . . 1 . . . . . 106 T CA . 50094 1 431 . 1 . 1 106 106 THR CB C 13 69.678 . . 1 . . . . . 106 T CB . 50094 1 432 . 1 . 1 106 106 THR N N 15 107.024 . . 1 . . . . . 106 T N . 50094 1 433 . 1 . 1 107 107 ILE H H 1 6.683 . . 1 . . . . . 107 I HN . 50094 1 434 . 1 . 1 107 107 ILE C C 13 173.922 . . 1 . . . . . 107 I CO . 50094 1 435 . 1 . 1 107 107 ILE CA C 13 63.147 . . 1 . . . . . 107 I CA . 50094 1 436 . 1 . 1 107 107 ILE CB C 13 37.026 . . 1 . . . . . 107 I CB . 50094 1 437 . 1 . 1 107 107 ILE N N 15 119.071 . . 1 . . . . . 107 I N . 50094 1 438 . 1 . 1 108 108 LEU H H 1 7.526 . . 1 . . . . . 108 L HN . 50094 1 439 . 1 . 1 108 108 LEU C C 13 173.247 . . 1 . . . . . 108 L CO . 50094 1 440 . 1 . 1 108 108 LEU CA C 13 52.200 . . 1 . . . . . 108 L CA . 50094 1 441 . 1 . 1 108 108 LEU CB C 13 40.926 . . 1 . . . . . 108 L CB . 50094 1 442 . 1 . 1 108 108 LEU N N 15 116.456 . . 1 . . . . . 108 L N . 50094 1 443 . 1 . 1 109 109 GLY H H 1 6.660 . . 1 . . . . . 109 G HN . 50094 1 444 . 1 . 1 109 109 GLY C C 13 173.778 . . 1 . . . . . 109 G CO . 50094 1 445 . 1 . 1 109 109 GLY CA C 13 42.366 . . 1 . . . . . 109 G CA . 50094 1 446 . 1 . 1 109 109 GLY N N 15 105.488 . . 1 . . . . . 109 G N . 50094 1 447 . 1 . 1 110 110 SER H H 1 8.755 . . 1 . . . . . 110 S HN . 50094 1 448 . 1 . 1 110 110 SER C C 13 176.746 . . 1 . . . . . 110 S CO . 50094 1 449 . 1 . 1 110 110 SER CA C 13 55.064 . . 1 . . . . . 110 S CA . 50094 1 450 . 1 . 1 110 110 SER CB C 13 62.553 . . 1 . . . . . 110 S CB . 50094 1 451 . 1 . 1 110 110 SER N N 15 115.640 . . 1 . . . . . 110 S N . 50094 1 452 . 1 . 1 111 111 PRO C C 13 175.821 . . 1 . . . . . 111 P CO . 50094 1 453 . 1 . 1 111 111 PRO CA C 13 63.644 . . 1 . . . . . 111 P CA . 50094 1 454 . 1 . 1 111 111 PRO CB C 13 30.825 . . 1 . . . . . 111 P CB . 50094 1 455 . 1 . 1 112 112 SER H H 1 7.992 . . 1 . . . . . 112 S HN . 50094 1 456 . 1 . 1 112 112 SER CA C 13 58.827 . . 1 . . . . . 112 S CA . 50094 1 457 . 1 . 1 112 112 SER CB C 13 62.178 . . 1 . . . . . 112 S CB . 50094 1 458 . 1 . 1 112 112 SER N N 15 113.487 . . 1 . . . . . 112 S N . 50094 1 459 . 1 . 1 113 113 MET H H 1 7.549 . . 1 . . . . . 113 M HN . 50094 1 460 . 1 . 1 113 113 MET C C 13 172.129 . . 1 . . . . . 113 M CO . 50094 1 461 . 1 . 1 113 113 MET CA C 13 54.733 . . 1 . . . . . 113 M CA . 50094 1 462 . 1 . 1 113 113 MET CB C 13 34.250 . . 1 . . . . . 113 M CB . 50094 1 463 . 1 . 1 113 113 MET N N 15 117.912 . . 1 . . . . . 113 M N . 50094 1 464 . 1 . 1 114 114 GLY H H 1 7.062 . . 1 . . . . . 114 G HN . 50094 1 465 . 1 . 1 114 114 GLY CA C 13 43.904 . . 1 . . . . . 114 G CA . 50094 1 466 . 1 . 1 114 114 GLY N N 15 104.519 . . 1 . . . . . 114 G N . 50094 1 467 . 1 . 1 115 115 VAL H H 1 8.604 . . 1 . . . . . 115 V HN . 50094 1 468 . 1 . 1 115 115 VAL C C 13 173.469 . . 1 . . . . . 115 V CO . 50094 1 469 . 1 . 1 115 115 VAL CA C 13 57.324 . . 1 . . . . . 115 V CA . 50094 1 470 . 1 . 1 115 115 VAL CB C 13 32.275 . . 1 . . . . . 115 V CB . 50094 1 471 . 1 . 1 115 115 VAL N N 15 110.808 . . 1 . . . . . 115 V N . 50094 1 472 . 1 . 1 116 116 TYR H H 1 7.404 . . 1 . . . . . 116 Y HN . 50094 1 473 . 1 . 1 116 116 TYR C C 13 176.525 . . 1 . . . . . 116 Y CO . 50094 1 474 . 1 . 1 116 116 TYR CA C 13 56.886 . . 1 . . . . . 116 Y CA . 50094 1 475 . 1 . 1 116 116 TYR CB C 13 39.651 . . 1 . . . . . 116 Y CB . 50094 1 476 . 1 . 1 116 116 TYR N N 15 122.596 . . 1 . . . . . 116 Y N . 50094 1 477 . 1 . 1 117 117 LEU H H 1 8.866 . . 1 . . . . . 117 L HN . 50094 1 478 . 1 . 1 117 117 LEU C C 13 174.944 . . 1 . . . . . 117 L CO . 50094 1 479 . 1 . 1 117 117 LEU CA C 13 52.614 . . 1 . . . . . 117 L CA . 50094 1 480 . 1 . 1 117 117 LEU CB C 13 47.351 . . 1 . . . . . 117 L CB . 50094 1 481 . 1 . 1 117 117 LEU N N 15 122.063 . . 1 . . . . . 117 L N . 50094 1 482 . 1 . 1 120 120 TYR H H 1 8.266 . . 1 . . . . . 120 Y HN . 50094 1 483 . 1 . 1 120 120 TYR C C 13 176.939 . . 1 . . . . . 120 Y CO . 50094 1 484 . 1 . 1 120 120 TYR CA C 13 58.129 . . 1 . . . . . 120 Y CA . 50094 1 485 . 1 . 1 120 120 TYR N N 15 121.984 . . 1 . . . . . 120 Y N . 50094 1 486 . 1 . 1 121 121 ALA C C 13 174.674 . . 1 . . . . . 121 A CO . 50094 1 487 . 1 . 1 121 121 ALA CA C 13 54.792 . . 1 . . . . . 121 A CA . 50094 1 488 . 1 . 1 123 123 LEU C C 13 174.308 . . 1 . . . . . 123 L CO . 50094 1 489 . 1 . 1 123 123 LEU CA C 13 52.425 . . 1 . . . . . 123 L CA . 50094 1 490 . 1 . 1 123 123 LEU CB C 13 40.776 . . 1 . . . . . 123 L CB . 50094 1 491 . 1 . 1 124 124 LEU H H 1 9.026 . . 1 . . . . . 124 L HN . 50094 1 492 . 1 . 1 124 124 LEU C C 13 175.156 . . 1 . . . . . 124 L CO . 50094 1 493 . 1 . 1 124 124 LEU CA C 13 53.869 . . 1 . . . . . 124 L CA . 50094 1 494 . 1 . 1 124 124 LEU CB C 13 44.251 . . 1 . . . . . 124 L CB . 50094 1 495 . 1 . 1 124 124 LEU N N 15 123.270 . . 1 . . . . . 124 L N . 50094 1 496 . 1 . 1 125 125 GLN H H 1 7.186 . . 1 . . . . . 125 Q HN . 50094 1 497 . 1 . 1 125 125 GLN C C 13 173.025 . . 1 . . . . . 125 Q CO . 50094 1 498 . 1 . 1 125 125 GLN CA C 13 52.224 . . 1 . . . . . 125 Q CA . 50094 1 499 . 1 . 1 125 125 GLN CB C 13 28.200 . . 1 . . . . . 125 Q CB . 50094 1 500 . 1 . 1 125 125 GLN N N 15 113.729 . . 1 . . . . . 125 Q N . 50094 1 501 . 1 . 1 126 126 ALA H H 1 7.985 . . 1 . . . . . 126 A HN . 50094 1 502 . 1 . 1 126 126 ALA C C 13 177.007 . . 1 . . . . . 126 A CO . 50094 1 503 . 1 . 1 126 126 ALA CA C 13 53.632 . . 1 . . . . . 126 A CA . 50094 1 504 . 1 . 1 126 126 ALA CB C 13 17.624 . . 1 . . . . . 126 A CB . 50094 1 505 . 1 . 1 126 126 ALA N N 15 121.600 . . 1 . . . . . 126 A N . 50094 1 506 . 1 . 1 127 127 ASN H H 1 7.739 . . 1 . . . . . 127 N HN . 50094 1 507 . 1 . 1 127 127 ASN C C 13 172.997 . . 1 . . . . . 127 N CO . 50094 1 508 . 1 . 1 127 127 ASN CA C 13 49.585 . . 1 . . . . . 127 N CA . 50094 1 509 . 1 . 1 127 127 ASN CB C 13 36.501 . . 1 . . . . . 127 N CB . 50094 1 510 . 1 . 1 127 127 ASN N N 15 115.144 . . 1 . . . . . 127 N N . 50094 1 511 . 1 . 1 129 129 LEU H H 1 8.012 . . 1 . . . . . 129 L HN . 50094 1 512 . 1 . 1 129 129 LEU C C 13 175.493 . . 1 . . . . . 129 L CO . 50094 1 513 . 1 . 1 129 129 LEU CA C 13 53.940 . . 1 . . . . . 129 L CA . 50094 1 514 . 1 . 1 129 129 LEU CB C 13 40.426 . . 1 . . . . . 129 L CB . 50094 1 515 . 1 . 1 129 129 LEU N N 15 124.933 . . 1 . . . . . 129 L N . 50094 1 516 . 1 . 1 130 130 ASP H H 1 8.024 . . 1 . . . . . 130 D HN . 50094 1 517 . 1 . 1 130 130 ASP CA C 13 52.295 . . 1 . . . . . 130 D CA . 50094 1 518 . 1 . 1 130 130 ASP N N 15 120.871 . . 1 . . . . . 130 D N . 50094 1 519 . 1 . 1 131 131 THR H H 1 8.442 . . 1 . . . . . 131 T HN . 50094 1 520 . 1 . 1 131 131 THR C C 13 174.876 . . 1 . . . . . 131 T CO . 50094 1 521 . 1 . 1 131 131 THR CA C 13 64.437 . . 1 . . . . . 131 T CA . 50094 1 522 . 1 . 1 131 131 THR CB C 13 67.553 . . 1 . . . . . 131 T CB . 50094 1 523 . 1 . 1 131 131 THR N N 15 117.245 . . 1 . . . . . 131 T N . 50094 1 524 . 1 . 1 132 132 GLY H H 1 8.785 . . 1 . . . . . 132 G HN . 50094 1 525 . 1 . 1 132 132 GLY C C 13 173.623 . . 1 . . . . . 132 G CO . 50094 1 526 . 1 . 1 132 132 GLY CA C 13 44.295 . . 1 . . . . . 132 G CA . 50094 1 527 . 1 . 1 132 132 GLY N N 15 117.640 . . 1 . . . . . 132 G N . 50094 1 528 . 1 . 1 133 133 ALA H H 1 8.026 . . 1 . . . . . 133 A HN . 50094 1 529 . 1 . 1 133 133 ALA C C 13 175.069 . . 1 . . . . . 133 A CO . 50094 1 530 . 1 . 1 133 133 ALA CA C 13 52.176 . . 1 . . . . . 133 A CA . 50094 1 531 . 1 . 1 133 133 ALA CB C 13 18.699 . . 1 . . . . . 133 A CB . 50094 1 532 . 1 . 1 133 133 ALA N N 15 123.515 . . 1 . . . . . 133 A N . 50094 1 533 . 1 . 1 134 134 MET H H 1 8.044 . . 1 . . . . . 134 M HN . 50094 1 534 . 1 . 1 134 134 MET C C 13 174.799 . . 1 . . . . . 134 M CO . 50094 1 535 . 1 . 1 134 134 MET CA C 13 52.591 . . 1 . . . . . 134 M CA . 50094 1 536 . 1 . 1 134 134 MET CB C 13 35.000 . . 1 . . . . . 134 M CB . 50094 1 537 . 1 . 1 134 134 MET N N 15 117.715 . . 1 . . . . . 134 M N . 50094 1 538 . 1 . 1 135 135 GLY H H 1 6.777 . . 1 . . . . . 135 G HN . 50094 1 539 . 1 . 1 135 135 GLY C C 13 169.199 . . 1 . . . . . 135 G CO . 50094 1 540 . 1 . 1 135 135 GLY CA C 13 44.165 . . 1 . . . . . 135 G CA . 50094 1 541 . 1 . 1 135 135 GLY N N 15 107.658 . . 1 . . . . . 135 G N . 50094 1 542 . 1 . 1 136 136 ASP H H 1 8.051 . . 1 . . . . . 136 D HN . 50094 1 543 . 1 . 1 136 136 ASP C C 13 173.729 . . 1 . . . . . 136 D CO . 50094 1 544 . 1 . 1 136 136 ASP CA C 13 52.449 . . 1 . . . . . 136 D CA . 50094 1 545 . 1 . 1 136 136 ASP CB C 13 42.401 . . 1 . . . . . 136 D CB . 50094 1 546 . 1 . 1 136 136 ASP N N 15 119.952 . . 1 . . . . . 136 D N . 50094 1 547 . 1 . 1 142 142 ILE C C 13 175.040 . . 1 . . . . . 142 I CO . 50094 1 548 . 1 . 1 142 142 ILE CA C 13 56.922 . . 1 . . . . . 142 I CA . 50094 1 549 . 1 . 1 142 142 ILE CB C 13 39.851 . . 1 . . . . . 142 I CB . 50094 1 550 . 1 . 1 143 143 MET H H 1 6.879 . . 1 . . . . . 143 M HN . 50094 1 551 . 1 . 1 143 143 MET C C 13 173.469 . . 1 . . . . . 143 M CO . 50094 1 552 . 1 . 1 143 143 MET CA C 13 53.869 . . 1 . . . . . 143 M CA . 50094 1 553 . 1 . 1 143 143 MET CB C 13 33.800 . . 1 . . . . . 143 M CB . 50094 1 554 . 1 . 1 143 143 MET N N 15 118.454 . . 1 . . . . . 143 M N . 50094 1 555 . 1 . 1 144 144 LYS H H 1 8.299 . . 1 . . . . . 144 K HN . 50094 1 556 . 1 . 1 144 144 LYS C C 13 174.414 . . 1 . . . . . 144 K CO . 50094 1 557 . 1 . 1 144 144 LYS CA C 13 57.573 . . 1 . . . . . 144 K CA . 50094 1 558 . 1 . 1 144 144 LYS CB C 13 30.875 . . 1 . . . . . 144 K CB . 50094 1 559 . 1 . 1 144 144 LYS N N 15 121.011 . . 1 . . . . . 144 K N . 50094 1 560 . 1 . 1 145 145 GLY H H 1 7.221 . . 1 . . . . . 145 G HN . 50094 1 561 . 1 . 1 145 145 GLY C C 13 173.324 . . 1 . . . . . 145 G CO . 50094 1 562 . 1 . 1 145 145 GLY CA C 13 44.169 . . 1 . . . . . 145 G CA . 50094 1 563 . 1 . 1 145 145 GLY N N 15 96.644 . . 1 . . . . . 145 G N . 50094 1 564 . 1 . 1 146 146 LYS H H 1 9.700 . . 1 . . . . . 146 K HN . 50094 1 565 . 1 . 1 146 146 LYS C C 13 174.703 . . 1 . . . . . 146 K CO . 50094 1 566 . 1 . 1 146 146 LYS CA C 13 54.673 . . 1 . . . . . 146 K CA . 50094 1 567 . 1 . 1 146 146 LYS CB C 13 31.150 . . 1 . . . . . 146 K CB . 50094 1 568 . 1 . 1 146 146 LYS N N 15 126.780 . . 1 . . . . . 146 K N . 50094 1 569 . 1 . 1 147 147 ILE H H 1 8.042 . . 1 . . . . . 147 I HN . 50094 1 570 . 1 . 1 147 147 ILE C C 13 176.409 . . 1 . . . . . 147 I CO . 50094 1 571 . 1 . 1 147 147 ILE CA C 13 60.354 . . 1 . . . . . 147 I CA . 50094 1 572 . 1 . 1 147 147 ILE CB C 13 39.426 . . 1 . . . . . 147 I CB . 50094 1 573 . 1 . 1 147 147 ILE N N 15 127.762 . . 1 . . . . . 147 I N . 50094 1 574 . 1 . 1 148 148 LYS H H 1 8.960 . . 1 . . . . . 148 K HN . 50094 1 575 . 1 . 1 148 148 LYS C C 13 173.864 . . 1 . . . . . 148 K CO . 50094 1 576 . 1 . 1 148 148 LYS CA C 13 52.662 . . 1 . . . . . 148 K CA . 50094 1 577 . 1 . 1 148 148 LYS CB C 13 31.725 . . 1 . . . . . 148 K CB . 50094 1 578 . 1 . 1 148 148 LYS N N 15 130.457 . . 1 . . . . . 148 K N . 50094 1 579 . 1 . 1 149 149 SER H H 1 8.604 . . 1 . . . . . 149 S HN . 50094 1 580 . 1 . 1 149 149 SER C C 13 173.401 . . 1 . . . . . 149 S CO . 50094 1 581 . 1 . 1 149 149 SER CA C 13 56.354 . . 1 . . . . . 149 S CA . 50094 1 582 . 1 . 1 149 149 SER CB C 13 62.528 . . 1 . . . . . 149 S CB . 50094 1 583 . 1 . 1 149 149 SER N N 15 123.982 . . 1 . . . . . 149 S N . 50094 1 584 . 1 . 1 150 150 ILE H H 1 8.893 . . 1 . . . . . 150 I HN . 50094 1 585 . 1 . 1 150 150 ILE C C 13 175.840 . . 1 . . . . . 150 I CO . 50094 1 586 . 1 . 1 150 150 ILE CA C 13 57.005 . . 1 . . . . . 150 I CA . 50094 1 587 . 1 . 1 150 150 ILE CB C 13 36.251 . . 1 . . . . . 150 I CB . 50094 1 588 . 1 . 1 150 150 ILE N N 15 125.947 . . 1 . . . . . 150 I N . 50094 1 589 . 1 . 1 153 153 PRO C C 13 176.679 . . 1 . . . . . 153 P CO . 50094 1 590 . 1 . 1 153 153 PRO CA C 13 62.721 . . 1 . . . . . 153 P CA . 50094 1 591 . 1 . 1 153 153 PRO CB C 13 30.625 . . 1 . . . . . 153 P CB . 50094 1 592 . 1 . 1 154 154 MET H H 1 8.246 . . 1 . . . . . 154 M HN . 50094 1 593 . 1 . 1 154 154 MET C C 13 176.351 . . 1 . . . . . 154 M CO . 50094 1 594 . 1 . 1 154 154 MET CA C 13 54.792 . . 1 . . . . . 154 M CA . 50094 1 595 . 1 . 1 154 154 MET N N 15 118.267 . . 1 . . . . . 154 M N . 50094 1 596 . 1 . 1 155 155 GLY H H 1 8.014 . . 1 . . . . . 155 G HN . 50094 1 597 . 1 . 1 155 155 GLY CA C 13 44.531 . . 1 . . . . . 155 G CA . 50094 1 598 . 1 . 1 155 155 GLY N N 15 109.499 . . 1 . . . . . 155 G N . 50094 1 599 . 1 . 1 156 156 VAL H H 1 7.822 . . 1 . . . . . 156 V HN . 50094 1 600 . 1 . 1 156 156 VAL C C 13 175.965 . . 1 . . . . . 156 V CO . 50094 1 601 . 1 . 1 156 156 VAL CA C 13 61.691 . . 1 . . . . . 156 V CA . 50094 1 602 . 1 . 1 156 156 VAL CB C 13 30.850 . . 1 . . . . . 156 V CB . 50094 1 603 . 1 . 1 156 156 VAL N N 15 119.626 . . 1 . . . . . 156 V N . 50094 1 604 . 1 . 1 157 157 LYS H H 1 8.304 . . 1 . . . . . 157 K HN . 50094 1 605 . 1 . 1 157 157 LYS CA C 13 55.620 . . 1 . . . . . 157 K CA . 50094 1 606 . 1 . 1 157 157 LYS CB C 13 30.975 . . 1 . . . . . 157 K CB . 50094 1 607 . 1 . 1 157 157 LYS N N 15 124.309 . . 1 . . . . . 157 K N . 50094 1 608 . 1 . 1 158 158 SER C C 13 176.467 . . 1 . . . . . 158 S CO . 50094 1 609 . 1 . 1 158 158 SER CA C 13 57.632 . . 1 . . . . . 158 S CA . 50094 1 610 . 1 . 1 158 158 SER CB C 13 62.503 . . 1 . . . . . 158 S CB . 50094 1 611 . 1 . 1 159 159 LEU H H 1 8.725 . . 1 . . . . . 159 L HN . 50094 1 612 . 1 . 1 159 159 LEU CA C 13 57.218 . . 1 . . . . . 159 L CA . 50094 1 613 . 1 . 1 159 159 LEU N N 15 130.144 . . 1 . . . . . 159 L N . 50094 1 614 . 1 . 1 161 161 SER C C 13 174.259 . . 1 . . . . . 161 S CO . 50094 1 615 . 1 . 1 162 162 MET H H 1 7.668 . . 1 . . . . . 162 M HN . 50094 1 616 . 1 . 1 162 162 MET CA C 13 53.869 . . 1 . . . . . 162 M CA . 50094 1 617 . 1 . 1 162 162 MET N N 15 116.537 . . 1 . . . . . 162 M N . 50094 1 618 . 1 . 1 166 166 SER C C 13 173.536 . . 1 . . . . . 166 S CO . 50094 1 619 . 1 . 1 166 166 SER CA C 13 57.466 . . 1 . . . . . 166 S CA . 50094 1 620 . 1 . 1 166 166 SER CB C 13 62.728 . . 1 . . . . . 166 S CB . 50094 1 621 . 1 . 1 167 167 ALA H H 1 8.100 . . 1 . . . . . 167 A HN . 50094 1 622 . 1 . 1 167 167 ALA C C 13 176.293 . . 1 . . . . . 167 A CO . 50094 1 623 . 1 . 1 167 167 ALA CA C 13 51.324 . . 1 . . . . . 167 A CA . 50094 1 624 . 1 . 1 167 167 ALA CB C 13 17.999 . . 1 . . . . . 167 A CB . 50094 1 625 . 1 . 1 167 167 ALA N N 15 126.129 . . 1 . . . . . 167 A N . 50094 1 626 . 1 . 1 168 168 LEU H H 1 7.892 . . 1 . . . . . 168 L HN . 50094 1 627 . 1 . 1 168 168 LEU C C 13 175.088 . . 1 . . . . . 168 L CO . 50094 1 628 . 1 . 1 168 168 LEU CA C 13 53.443 . . 1 . . . . . 168 L CA . 50094 1 629 . 1 . 1 168 168 LEU CB C 13 40.876 . . 1 . . . . . 168 L CB . 50094 1 630 . 1 . 1 168 168 LEU N N 15 121.726 . . 1 . . . . . 168 L N . 50094 1 631 . 1 . 1 169 169 ASP H H 1 7.843 . . 1 . . . . . 169 D HN . 50094 1 632 . 1 . 1 169 169 ASP C C 13 173.488 . . 1 . . . . . 169 D CO . 50094 1 633 . 1 . 1 169 169 ASP CA C 13 51.798 . . 1 . . . . . 169 D CA . 50094 1 634 . 1 . 1 169 169 ASP CB C 13 38.926 . . 1 . . . . . 169 D CB . 50094 1 635 . 1 . 1 169 169 ASP N N 15 123.681 . . 1 . . . . . 169 D N . 50094 1 636 . 1 . 1 173 173 LYS C C 13 172.572 . . 1 . . . . . 173 K CO . 50094 1 637 . 1 . 1 173 173 LYS CA C 13 56.531 . . 1 . . . . . 173 K CA . 50094 1 638 . 1 . 1 173 173 LYS CB C 13 27.300 . . 1 . . . . . 173 K CB . 50094 1 639 . 1 . 1 174 174 HIS H H 1 7.649 . . 1 . . . . . 174 H HN . 50094 1 640 . 1 . 1 174 174 HIS C C 13 172.929 . . 1 . . . . . 174 H CO . 50094 1 641 . 1 . 1 174 174 HIS CA C 13 54.401 . . 1 . . . . . 174 H CA . 50094 1 642 . 1 . 1 174 174 HIS CB C 13 30.175 . . 1 . . . . . 174 H CB . 50094 1 643 . 1 . 1 174 174 HIS N N 15 113.674 . . 1 . . . . . 174 H N . 50094 1 644 . 1 . 1 175 175 GLU H H 1 8.932 . . 1 . . . . . 175 E HN . 50094 1 645 . 1 . 1 175 175 GLU C C 13 175.850 . . 1 . . . . . 175 E CO . 50094 1 646 . 1 . 1 175 175 GLU CA C 13 57.620 . . 1 . . . . . 175 E CA . 50094 1 647 . 1 . 1 175 175 GLU CB C 13 32.300 . . 1 . . . . . 175 E CB . 50094 1 648 . 1 . 1 175 175 GLU N N 15 121.010 . . 1 . . . . . 175 E N . 50094 1 649 . 1 . 1 176 176 CYS H H 1 7.455 . . 1 . . . . . 176 C HN . 50094 1 650 . 1 . 1 176 176 CYS C C 13 172.264 . . 1 . . . . . 176 C CO . 50094 1 651 . 1 . 1 176 176 CYS CA C 13 55.028 . . 1 . . . . . 176 C CA . 50094 1 652 . 1 . 1 176 176 CYS CB C 13 28.300 . . 1 . . . . . 176 C CB . 50094 1 653 . 1 . 1 176 176 CYS N N 15 110.019 . . 1 . . . . . 176 C N . 50094 1 654 . 1 . 1 177 177 HIS H H 1 9.281 . . 1 . . . . . 177 H HN . 50094 1 655 . 1 . 1 177 177 HIS C C 13 174.346 . . 1 . . . . . 177 H CO . 50094 1 656 . 1 . 1 177 177 HIS CA C 13 50.815 . . 1 . . . . . 177 H CA . 50094 1 657 . 1 . 1 177 177 HIS CB C 13 33.125 . . 1 . . . . . 177 H CB . 50094 1 658 . 1 . 1 177 177 HIS N N 15 117.483 . . 1 . . . . . 177 H N . 50094 1 659 . 1 . 1 178 178 VAL H H 1 8.277 . . 1 . . . . . 178 V HN . 50094 1 660 . 1 . 1 178 178 VAL CA C 13 58.673 . . 1 . . . . . 178 V CA . 50094 1 661 . 1 . 1 178 178 VAL CB C 13 34.775 . . 1 . . . . . 178 V CB . 50094 1 662 . 1 . 1 178 178 VAL N N 15 112.228 . . 1 . . . . . 178 V N . 50094 1 663 . 1 . 1 179 179 SER H H 1 9.287 . . 1 . . . . . 179 S HN . 50094 1 664 . 1 . 1 179 179 SER CA C 13 57.573 . . 1 . . . . . 179 S CA . 50094 1 665 . 1 . 1 179 179 SER CB C 13 62.553 . . 1 . . . . . 179 S CB . 50094 1 666 . 1 . 1 179 179 SER N N 15 118.219 . . 1 . . . . . 179 S N . 50094 1 667 . 1 . 1 180 180 LYS H H 1 8.939 . . 1 . . . . . 180 K HN . 50094 1 668 . 1 . 1 180 180 LYS CA C 13 56.756 . . 1 . . . . . 180 K CA . 50094 1 669 . 1 . 1 180 180 LYS N N 15 123.863 . . 1 . . . . . 180 K N . 50094 1 670 . 1 . 1 181 181 ASN H H 1 8.487 . . 1 . . . . . 181 N HN . 50094 1 671 . 1 . 1 181 181 ASN C C 13 176.631 . . 1 . . . . . 181 N CO . 50094 1 672 . 1 . 1 181 181 ASN CA C 13 55.265 . . 1 . . . . . 181 N CA . 50094 1 673 . 1 . 1 181 181 ASN CB C 13 39.051 . . 1 . . . . . 181 N CB . 50094 1 674 . 1 . 1 181 181 ASN N N 15 117.318 . . 1 . . . . . 181 N N . 50094 1 675 . 1 . 1 184 184 ARG C C 13 175.715 . . 1 . . . . . 184 R CO . 50094 1 676 . 1 . 1 185 185 ILE H H 1 7.303 . . 1 . . . . . 185 I HN . 50094 1 677 . 1 . 1 185 185 ILE CA C 13 58.957 . . 1 . . . . . 185 I CA . 50094 1 678 . 1 . 1 185 185 ILE N N 15 121.600 . . 1 . . . . . 185 I N . 50094 1 679 . 1 . 1 186 186 THR CA C 13 60.034 . . 1 . . . . . 186 T CA . 50094 1 680 . 1 . 1 187 187 SER H H 1 7.048 . . 1 . . . . . 187 S HN . 50094 1 681 . 1 . 1 187 187 SER C C 13 173.787 . . 1 . . . . . 187 S CO . 50094 1 682 . 1 . 1 187 187 SER CA C 13 54.283 . . 1 . . . . . 187 S CA . 50094 1 683 . 1 . 1 187 187 SER CB C 13 64.203 . . 1 . . . . . 187 S CB . 50094 1 684 . 1 . 1 187 187 SER N N 15 115.427 . . 1 . . . . . 187 S N . 50094 1 685 . 1 . 1 188 188 LEU H H 1 9.143 . . 1 . . . . . 188 L HN . 50094 1 686 . 1 . 1 188 188 LEU C C 13 177.141 . . 1 . . . . . 188 L CO . 50094 1 687 . 1 . 1 188 188 LEU CA C 13 55.892 . . 1 . . . . . 188 L CA . 50094 1 688 . 1 . 1 188 188 LEU CB C 13 40.451 . . 1 . . . . . 188 L CB . 50094 1 689 . 1 . 1 188 188 LEU N N 15 125.690 . . 1 . . . . . 188 L N . 50094 1 690 . 1 . 1 189 189 LEU H H 1 7.719 . . 1 . . . . . 189 L HN . 50094 1 691 . 1 . 1 189 189 LEU C C 13 176.544 . . 1 . . . . . 189 L CO . 50094 1 692 . 1 . 1 189 189 LEU CA C 13 52.827 . . 1 . . . . . 189 L CA . 50094 1 693 . 1 . 1 189 189 LEU CB C 13 39.976 . . 1 . . . . . 189 L CB . 50094 1 694 . 1 . 1 189 189 LEU N N 15 116.408 . . 1 . . . . . 189 L N . 50094 1 695 . 1 . 1 190 190 ALA H H 1 7.076 . . 1 . . . . . 190 A HN . 50094 1 696 . 1 . 1 190 190 ALA C C 13 177.170 . . 1 . . . . . 190 A CO . 50094 1 697 . 1 . 1 190 190 ALA CA C 13 51.360 . . 1 . . . . . 190 A CA . 50094 1 698 . 1 . 1 190 190 ALA CB C 13 18.199 . . 1 . . . . . 190 A CB . 50094 1 699 . 1 . 1 190 190 ALA N N 15 123.383 . . 1 . . . . . 190 A N . 50094 1 700 . 1 . 1 191 191 TYR H H 1 8.599 . . 1 . . . . . 191 Y HN . 50094 1 701 . 1 . 1 191 191 TYR C C 13 174.828 . . 1 . . . . . 191 Y CO . 50094 1 702 . 1 . 1 191 191 TYR CA C 13 58.271 . . 1 . . . . . 191 Y CA . 50094 1 703 . 1 . 1 191 191 TYR CB C 13 36.451 . . 1 . . . . . 191 Y CB . 50094 1 704 . 1 . 1 191 191 TYR N N 15 125.504 . . 1 . . . . . 191 Y N . 50094 1 705 . 1 . 1 192 192 ARG H H 1 8.703 . . 1 . . . . . 192 R HN . 50094 1 706 . 1 . 1 192 192 ARG C C 13 176.129 . . 1 . . . . . 192 R CO . 50094 1 707 . 1 . 1 192 192 ARG CA C 13 56.378 . . 1 . . . . . 192 R CA . 50094 1 708 . 1 . 1 192 192 ARG CB C 13 25.650 . . 1 . . . . . 192 R CB . 50094 1 709 . 1 . 1 192 192 ARG N N 15 120.535 . . 1 . . . . . 192 R N . 50094 1 710 . 1 . 1 193 193 ALA H H 1 7.430 . . 1 . . . . . 193 A HN . 50094 1 711 . 1 . 1 193 193 ALA C C 13 176.129 . . 1 . . . . . 193 A CO . 50094 1 712 . 1 . 1 193 193 ALA CA C 13 55.253 . . 1 . . . . . 193 A CA . 50094 1 713 . 1 . 1 193 193 ALA CB C 13 17.874 . . 1 . . . . . 193 A CB . 50094 1 714 . 1 . 1 193 193 ALA N N 15 118.079 . . 1 . . . . . 193 A N . 50094 1 715 . 1 . 1 194 194 TYR H H 1 8.514 . . 1 . . . . . 194 Y HN . 50094 1 716 . 1 . 1 194 194 TYR C C 13 175.917 . . 1 . . . . . 194 Y CO . 50094 1 717 . 1 . 1 194 194 TYR CA C 13 60.259 . . 1 . . . . . 194 Y CA . 50094 1 718 . 1 . 1 194 194 TYR CB C 13 37.026 . . 1 . . . . . 194 Y CB . 50094 1 719 . 1 . 1 194 194 TYR N N 15 117.004 . . 1 . . . . . 194 Y N . 50094 1 720 . 1 . 1 195 195 GLU H H 1 8.435 . . 1 . . . . . 195 E HN . 50094 1 721 . 1 . 1 195 195 GLU C C 13 176.688 . . 1 . . . . . 195 E CO . 50094 1 722 . 1 . 1 195 195 GLU CA C 13 59.336 . . 1 . . . . . 195 E CA . 50094 1 723 . 1 . 1 195 195 GLU CB C 13 28.325 . . 1 . . . . . 195 E CB . 50094 1 724 . 1 . 1 195 195 GLU N N 15 119.719 . . 1 . . . . . 195 E N . 50094 1 725 . 1 . 1 196 196 LEU H H 1 8.067 . . 1 . . . . . 196 L HN . 50094 1 726 . 1 . 1 196 196 LEU C C 13 178.298 . . 1 . . . . . 196 L CO . 50094 1 727 . 1 . 1 196 196 LEU CA C 13 55.443 . . 1 . . . . . 196 L CA . 50094 1 728 . 1 . 1 196 196 LEU CB C 13 41.101 . . 1 . . . . . 196 L CB . 50094 1 729 . 1 . 1 196 196 LEU N N 15 113.060 . . 1 . . . . . 196 L N . 50094 1 730 . 1 . 1 197 197 THR H H 1 7.404 . . 1 . . . . . 197 T HN . 50094 1 731 . 1 . 1 197 197 THR C C 13 172.312 . . 1 . . . . . 197 T CO . 50094 1 732 . 1 . 1 197 197 THR CA C 13 59.679 . . 1 . . . . . 197 T CA . 50094 1 733 . 1 . 1 197 197 THR CB C 13 67.653 . . 1 . . . . . 197 T CB . 50094 1 734 . 1 . 1 197 197 THR N N 15 107.990 . . 1 . . . . . 197 T N . 50094 1 735 . 1 . 1 198 198 GLN H H 1 6.928 . . 1 . . . . . 198 Q HN . 50094 1 736 . 1 . 1 198 198 GLN C C 13 176.891 . . 1 . . . . . 198 Q CO . 50094 1 737 . 1 . 1 198 198 GLN CA C 13 53.478 . . 1 . . . . . 198 Q CA . 50094 1 738 . 1 . 1 198 198 GLN CB C 13 29.900 . . 1 . . . . . 198 Q CB . 50094 1 739 . 1 . 1 198 198 GLN N N 15 117.104 . . 1 . . . . . 198 Q N . 50094 1 740 . 1 . 1 199 199 TYR H H 1 9.224 . . 1 . . . . . 199 Y HN . 50094 1 741 . 1 . 1 199 199 TYR C C 13 174.250 . . 1 . . . . . 199 Y CO . 50094 1 742 . 1 . 1 199 199 TYR CA C 13 55.502 . . 1 . . . . . 199 Y CA . 50094 1 743 . 1 . 1 199 199 TYR CB C 13 42.726 . . 1 . . . . . 199 Y CB . 50094 1 744 . 1 . 1 199 199 TYR N N 15 117.272 . . 1 . . . . . 199 Y N . 50094 1 745 . 1 . 1 200 200 TYR H H 1 7.890 . . 1 . . . . . 200 Y HN . 50094 1 746 . 1 . 1 200 200 TYR C C 13 173.498 . . 1 . . . . . 200 Y CO . 50094 1 747 . 1 . 1 200 200 TYR CA C 13 53.892 . . 1 . . . . . 200 Y CA . 50094 1 748 . 1 . 1 200 200 TYR CB C 13 40.576 . . 1 . . . . . 200 Y CB . 50094 1 749 . 1 . 1 200 200 TYR N N 15 121.344 . . 1 . . . . . 200 Y N . 50094 1 750 . 1 . 1 201 201 PHE H H 1 8.774 . . 1 . . . . . 201 F HN . 50094 1 751 . 1 . 1 201 201 PHE C C 13 173.238 . . 1 . . . . . 201 F CO . 50094 1 752 . 1 . 1 201 201 PHE CA C 13 56.437 . . 1 . . . . . 201 F CA . 50094 1 753 . 1 . 1 201 201 PHE CB C 13 41.726 . . 1 . . . . . 201 F CB . 50094 1 754 . 1 . 1 201 201 PHE N N 15 124.136 . . 1 . . . . . 201 F N . 50094 1 755 . 1 . 1 202 202 TYR H H 1 6.287 . . 1 . . . . . 202 Y HN . 50094 1 756 . 1 . 1 202 202 TYR C C 13 174.269 . . 1 . . . . . 202 Y CO . 50094 1 757 . 1 . 1 202 202 TYR CA C 13 53.928 . . 1 . . . . . 202 Y CA . 50094 1 758 . 1 . 1 202 202 TYR CB C 13 39.376 . . 1 . . . . . 202 Y CB . 50094 1 759 . 1 . 1 202 202 TYR N N 15 113.505 . . 1 . . . . . 202 Y N . 50094 1 760 . 1 . 1 203 203 GLU H H 1 9.212 . . 1 . . . . . 203 E HN . 50094 1 761 . 1 . 1 203 203 GLU C C 13 173.199 . . 1 . . . . . 203 E CO . 50094 1 762 . 1 . 1 203 203 GLU CA C 13 55.632 . . 1 . . . . . 203 E CA . 50094 1 763 . 1 . 1 203 203 GLU CB C 13 32.575 . . 1 . . . . . 203 E CB . 50094 1 764 . 1 . 1 203 203 GLU N N 15 117.983 . . 1 . . . . . 203 E N . 50094 1 765 . 1 . 1 204 204 TYR H H 1 9.458 . . 1 . . . . . 204 Y HN . 50094 1 766 . 1 . 1 204 204 TYR CA C 13 58.969 . . 1 . . . . . 204 Y CA . 50094 1 767 . 1 . 1 204 204 TYR CB C 13 38.026 . . 1 . . . . . 204 Y CB . 50094 1 768 . 1 . 1 204 204 TYR N N 15 124.647 . . 1 . . . . . 204 Y N . 50094 1 769 . 1 . 1 205 205 GLY H H 1 8.683 . . 1 . . . . . 205 G HN . 50094 1 770 . 1 . 1 205 205 GLY C C 13 172.746 . . 1 . . . . . 205 G CO . 50094 1 771 . 1 . 1 205 205 GLY CA C 13 43.715 . . 1 . . . . . 205 G CA . 50094 1 772 . 1 . 1 205 205 GLY N N 15 112.555 . . 1 . . . . . 205 G N . 50094 1 773 . 1 . 1 207 207 ASP C C 13 174.934 . . 1 . . . . . 207 D CO . 50094 1 774 . 1 . 1 207 207 ASP CA C 13 53.289 . . 1 . . . . . 207 D CA . 50094 1 775 . 1 . 1 208 208 GLU H H 1 7.633 . . 1 . . . . . 208 E HN . 50094 1 776 . 1 . 1 208 208 GLU C C 13 175.676 . . 1 . . . . . 208 E CO . 50094 1 777 . 1 . 1 208 208 GLU CA C 13 54.875 . . 1 . . . . . 208 E CA . 50094 1 778 . 1 . 1 208 208 GLU N N 15 118.010 . . 1 . . . . . 208 E N . 50094 1 779 . 1 . 1 209 209 LEU H H 1 7.864 . . 1 . . . . . 209 L HN . 50094 1 780 . 1 . 1 209 209 LEU C C 13 176.582 . . 1 . . . . . 209 L CO . 50094 1 781 . 1 . 1 209 209 LEU CA C 13 54.626 . . 1 . . . . . 209 L CA . 50094 1 782 . 1 . 1 209 209 LEU CB C 13 40.576 . . 1 . . . . . 209 L CB . 50094 1 783 . 1 . 1 209 209 LEU N N 15 121.487 . . 1 . . . . . 209 L N . 50094 1 784 . 1 . 1 211 211 ARG CA C 13 56.366 . . 1 . . . . . 211 R CA . 50094 1 785 . 1 . 1 211 211 ARG CB C 13 28.725 . . 1 . . . . . 211 R CB . 50094 1 786 . 1 . 1 212 212 ARG H H 1 7.394 . . 1 . . . . . 212 R HN . 50094 1 787 . 1 . 1 212 212 ARG C C 13 172.062 . . 1 . . . . . 212 R CO . 50094 1 788 . 1 . 1 212 212 ARG CA C 13 51.289 . . 1 . . . . . 212 R CA . 50094 1 789 . 1 . 1 212 212 ARG N N 15 117.422 . . 1 . . . . . 212 R N . 50094 1 790 . 1 . 1 213 213 PRO C C 13 177.122 . . 1 . . . . . 213 P CO . 50094 1 791 . 1 . 1 213 213 PRO CA C 13 61.963 . . 1 . . . . . 213 P CA . 50094 1 792 . 1 . 1 213 213 PRO CB C 13 30.150 . . 1 . . . . . 213 P CB . 50094 1 793 . 1 . 1 214 214 ARG H H 1 9.165 . . 1 . . . . . 214 R HN . 50094 1 794 . 1 . 1 214 214 ARG C C 13 176.843 . . 1 . . . . . 214 R CO . 50094 1 795 . 1 . 1 214 214 ARG CA C 13 57.241 . . 1 . . . . . 214 R CA . 50094 1 796 . 1 . 1 214 214 ARG CB C 13 30.400 . . 1 . . . . . 214 R CB . 50094 1 797 . 1 . 1 214 214 ARG N N 15 122.932 . . 1 . . . . . 214 R N . 50094 1 798 . 1 . 1 215 215 HIS H H 1 10.415 . . 1 . . . . . 215 H HN . 50094 1 799 . 1 . 1 215 215 HIS C C 13 169.314 . . 1 . . . . . 215 H CO . 50094 1 800 . 1 . 1 215 215 HIS CA C 13 54.591 . . 1 . . . . . 215 H CA . 50094 1 801 . 1 . 1 215 215 HIS CB C 13 25.925 . . 1 . . . . . 215 H CB . 50094 1 802 . 1 . 1 215 215 HIS N N 15 116.738 . . 1 . . . . . 215 H N . 50094 1 803 . 1 . 1 216 216 VAL H H 1 6.281 . . 1 . . . . . 216 V HN . 50094 1 804 . 1 . 1 216 216 VAL C C 13 174.009 . . 1 . . . . . 216 V CO . 50094 1 805 . 1 . 1 216 216 VAL CA C 13 60.165 . . 1 . . . . . 216 V CA . 50094 1 806 . 1 . 1 216 216 VAL CB C 13 32.275 . . 1 . . . . . 216 V CB . 50094 1 807 . 1 . 1 216 216 VAL N N 15 117.518 . . 1 . . . . . 216 V N . 50094 1 808 . 1 . 1 217 217 CYS H H 1 9.104 . . 1 . . . . . 217 C HN . 50094 1 809 . 1 . 1 217 217 CYS C C 13 171.541 . . 1 . . . . . 217 C CO . 50094 1 810 . 1 . 1 217 217 CYS CA C 13 54.259 . . 1 . . . . . 217 C CA . 50094 1 811 . 1 . 1 217 217 CYS CB C 13 28.950 . . 1 . . . . . 217 C CB . 50094 1 812 . 1 . 1 217 217 CYS N N 15 126.532 . . 1 . . . . . 217 C N . 50094 1 813 . 1 . 1 222 222 VAL C C 13 173.951 . . 1 . . . . . 222 V CO . 50094 1 814 . 1 . 1 222 222 VAL CA C 13 58.508 . . 1 . . . . . 222 V CA . 50094 1 815 . 1 . 1 222 222 VAL CB C 13 33.975 . . 1 . . . . . 222 V CB . 50094 1 816 . 1 . 1 223 223 SER H H 1 8.521 . . 1 . . . . . 223 S HN . 50094 1 817 . 1 . 1 223 223 SER C C 13 173.633 . . 1 . . . . . 223 S CO . 50094 1 818 . 1 . 1 223 223 SER CA C 13 56.295 . . 1 . . . . . 223 S CA . 50094 1 819 . 1 . 1 223 223 SER CB C 13 63.478 . . 1 . . . . . 223 S CB . 50094 1 820 . 1 . 1 223 223 SER N N 15 120.303 . . 1 . . . . . 223 S N . 50094 1 821 . 1 . 1 224 224 PHE H H 1 9.208 . . 1 . . . . . 224 F HN . 50094 1 822 . 1 . 1 224 224 PHE C C 13 174.809 . . 1 . . . . . 224 F CO . 50094 1 823 . 1 . 1 224 224 PHE CA C 13 54.484 . . 1 . . . . . 224 F CA . 50094 1 824 . 1 . 1 224 224 PHE CB C 13 44.076 . . 1 . . . . . 224 F CB . 50094 1 825 . 1 . 1 224 224 PHE N N 15 121.919 . . 1 . . . . . 224 F N . 50094 1 826 . 1 . 1 225 225 THR H H 1 8.950 . . 1 . . . . . 225 T HN . 50094 1 827 . 1 . 1 225 225 THR C C 13 172.823 . . 1 . . . . . 225 T CO . 50094 1 828 . 1 . 1 225 225 THR CA C 13 60.815 . . 1 . . . . . 225 T CA . 50094 1 829 . 1 . 1 225 225 THR CB C 13 69.803 . . 1 . . . . . 225 T CB . 50094 1 830 . 1 . 1 225 225 THR N N 15 114.843 . . 1 . . . . . 225 T N . 50094 1 831 . 1 . 1 226 226 TYR H H 1 9.116 . . 1 . . . . . 226 Y HN . 50094 1 832 . 1 . 1 226 226 TYR C C 13 173.045 . . 1 . . . . . 226 Y CO . 50094 1 833 . 1 . 1 226 226 TYR CA C 13 55.147 . . 1 . . . . . 226 Y CA . 50094 1 834 . 1 . 1 226 226 TYR CB C 13 40.001 . . 1 . . . . . 226 Y CB . 50094 1 835 . 1 . 1 226 226 TYR N N 15 129.404 . . 1 . . . . . 226 Y N . 50094 1 836 . 1 . 1 227 227 LYS H H 1 8.548 . . 1 . . . . . 227 K HN . 50094 1 837 . 1 . 1 227 227 LYS C C 13 173.826 . . 1 . . . . . 227 K CO . 50094 1 838 . 1 . 1 227 227 LYS CA C 13 56.236 . . 1 . . . . . 227 K CA . 50094 1 839 . 1 . 1 227 227 LYS CB C 13 30.300 . . 1 . . . . . 227 K CB . 50094 1 840 . 1 . 1 227 227 LYS N N 15 125.176 . . 1 . . . . . 227 K N . 50094 1 841 . 1 . 1 228 228 ASP H H 1 7.931 . . 1 . . . . . 228 D HN . 50094 1 842 . 1 . 1 228 228 ASP C C 13 175.204 . . 1 . . . . . 228 D CO . 50094 1 843 . 1 . 1 228 228 ASP CA C 13 52.934 . . 1 . . . . . 228 D CA . 50094 1 844 . 1 . 1 228 228 ASP CB C 13 40.476 . . 1 . . . . . 228 D CB . 50094 1 845 . 1 . 1 228 228 ASP N N 15 118.288 . . 1 . . . . . 228 D N . 50094 1 846 . 1 . 1 229 229 ASP H H 1 8.158 . . 1 . . . . . 229 D HN . 50094 1 847 . 1 . 1 229 229 ASP C C 13 175.898 . . 1 . . . . . 229 D CO . 50094 1 848 . 1 . 1 229 229 ASP CA C 13 52.948 . . 1 . . . . . 229 D CA . 50094 1 849 . 1 . 1 229 229 ASP CB C 13 39.854 . . 1 . . . . . 229 D CB . 50094 1 850 . 1 . 1 229 229 ASP N N 15 120.871 . . 1 . . . . . 229 D N . 50094 1 851 . 1 . 1 230 230 ILE H H 1 7.806 . . 1 . . . . . 230 I HN . 50094 1 852 . 1 . 1 230 230 ILE C C 13 176.120 . . 1 . . . . . 230 I CO . 50094 1 853 . 1 . 1 230 230 ILE CA C 13 60.070 . . 1 . . . . . 230 I CA . 50094 1 854 . 1 . 1 230 230 ILE CB C 13 36.901 . . 1 . . . . . 230 I CB . 50094 1 855 . 1 . 1 230 230 ILE N N 15 121.307 . . 1 . . . . . 230 I N . 50094 1 856 . 1 . 1 231 231 GLN H H 1 7.810 . . 1 . . . . . 231 Q HN . 50094 1 857 . 1 . 1 231 231 GLN C C 13 179.966 . . 1 . . . . . 231 Q CO . 50094 1 858 . 1 . 1 231 231 GLN CA C 13 56.224 . . 1 . . . . . 231 Q CA . 50094 1 859 . 1 . 1 231 231 GLN CB C 13 29.025 . . 1 . . . . . 231 Q CB . 50094 1 860 . 1 . 1 231 231 GLN N N 15 129.531 . . 1 . . . . . 231 Q N . 50094 1 stop_ save_