data_51753 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51753 _Entry.Title ; Human p53 DBD (94-293) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-29 _Entry.Accession_date 2022-12-29 _Entry.Last_release_date 2022-12-29 _Entry.Original_release_date 2022-12-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 . _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 Guy Zoltsman . . . 0000-0002-7673-8242 51753 2 Rina Rosenzweig . . . 0000-0002-4019-5135 51753 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51753 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 551 51753 '15N chemical shifts' 173 51753 '1H chemical shifts' 173 51753 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 . . 2024-03-18 . original BMRB . 51753 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51753 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A unique chaperoning mechanism in Class A JDPs recognizes and stabilizes mutant p53 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular Cell' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Guy Zoltsman . . . . 51753 1 2 Lieu Dang . . . . 51753 1 3 Miri Kuchersky . . . . 51753 1 4 Ofrah Faust . . . . 51753 1 5 Micael Silva . . . . 51753 1 6 Tal Ilani . . . . 51753 1 7 Anne Wentink . . . . 51753 1 8 Bernd Bukau . . . . 51753 1 9 Rina Rosenzweig . . . . 51753 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51753 _Assembly.ID 1 _Assembly.Name 'p53 DBD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p53 DBD' 1 $entity_1 . . yes native no no . . . 51753 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51753 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSSVPSQKTYQGSYGFRLGF LHSGTAKSVTCTYSPALNKM FCQLAKTCPVQLWVDSTPPP GTRVRAMAIYKQSQHMTEVV RRCPHHERCSDSDGLAPPQH LIRVEGNLRVEYLDDRNTFR HSVVVPYEPPEVGSDCTTIH YNYMCNSSCMGGMNRRPILT IITLEDSSGNLLGRNSFEVR VCACPGRDRRTEEENLRKKG ; _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 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 94 SER . 51753 1 2 95 SER . 51753 1 3 96 SER . 51753 1 4 97 VAL . 51753 1 5 98 PRO . 51753 1 6 99 SER . 51753 1 7 100 GLN . 51753 1 8 101 LYS . 51753 1 9 102 THR . 51753 1 10 103 TYR . 51753 1 11 104 GLN . 51753 1 12 105 GLY . 51753 1 13 106 SER . 51753 1 14 107 TYR . 51753 1 15 108 GLY . 51753 1 16 109 PHE . 51753 1 17 110 ARG . 51753 1 18 111 LEU . 51753 1 19 112 GLY . 51753 1 20 113 PHE . 51753 1 21 114 LEU . 51753 1 22 115 HIS . 51753 1 23 116 SER . 51753 1 24 117 GLY . 51753 1 25 118 THR . 51753 1 26 119 ALA . 51753 1 27 120 LYS . 51753 1 28 121 SER . 51753 1 29 122 VAL . 51753 1 30 123 THR . 51753 1 31 124 CYS . 51753 1 32 125 THR . 51753 1 33 126 TYR . 51753 1 34 127 SER . 51753 1 35 128 PRO . 51753 1 36 129 ALA . 51753 1 37 130 LEU . 51753 1 38 131 ASN . 51753 1 39 132 LYS . 51753 1 40 133 MET . 51753 1 41 134 PHE . 51753 1 42 135 CYS . 51753 1 43 136 GLN . 51753 1 44 137 LEU . 51753 1 45 138 ALA . 51753 1 46 139 LYS . 51753 1 47 140 THR . 51753 1 48 141 CYS . 51753 1 49 142 PRO . 51753 1 50 143 VAL . 51753 1 51 144 GLN . 51753 1 52 145 LEU . 51753 1 53 146 TRP . 51753 1 54 147 VAL . 51753 1 55 148 ASP . 51753 1 56 149 SER . 51753 1 57 150 THR . 51753 1 58 151 PRO . 51753 1 59 152 PRO . 51753 1 60 153 PRO . 51753 1 61 154 GLY . 51753 1 62 155 THR . 51753 1 63 156 ARG . 51753 1 64 157 VAL . 51753 1 65 158 ARG . 51753 1 66 159 ALA . 51753 1 67 160 MET . 51753 1 68 161 ALA . 51753 1 69 162 ILE . 51753 1 70 163 TYR . 51753 1 71 164 LYS . 51753 1 72 165 GLN . 51753 1 73 166 SER . 51753 1 74 167 GLN . 51753 1 75 168 HIS . 51753 1 76 169 MET . 51753 1 77 170 THR . 51753 1 78 171 GLU . 51753 1 79 172 VAL . 51753 1 80 173 VAL . 51753 1 81 174 ARG . 51753 1 82 175 ARG . 51753 1 83 176 CYS . 51753 1 84 177 PRO . 51753 1 85 178 HIS . 51753 1 86 179 HIS . 51753 1 87 180 GLU . 51753 1 88 181 ARG . 51753 1 89 182 CYS . 51753 1 90 183 SER . 51753 1 91 184 ASP . 51753 1 92 185 SER . 51753 1 93 186 ASP . 51753 1 94 187 GLY . 51753 1 95 188 LEU . 51753 1 96 189 ALA . 51753 1 97 190 PRO . 51753 1 98 191 PRO . 51753 1 99 192 GLN . 51753 1 100 193 HIS . 51753 1 101 194 LEU . 51753 1 102 195 ILE . 51753 1 103 196 ARG . 51753 1 104 197 VAL . 51753 1 105 198 GLU . 51753 1 106 199 GLY . 51753 1 107 200 ASN . 51753 1 108 201 LEU . 51753 1 109 202 ARG . 51753 1 110 203 VAL . 51753 1 111 204 GLU . 51753 1 112 205 TYR . 51753 1 113 206 LEU . 51753 1 114 207 ASP . 51753 1 115 208 ASP . 51753 1 116 209 ARG . 51753 1 117 210 ASN . 51753 1 118 211 THR . 51753 1 119 212 PHE . 51753 1 120 213 ARG . 51753 1 121 214 HIS . 51753 1 122 215 SER . 51753 1 123 216 VAL . 51753 1 124 217 VAL . 51753 1 125 218 VAL . 51753 1 126 219 PRO . 51753 1 127 220 TYR . 51753 1 128 221 GLU . 51753 1 129 222 PRO . 51753 1 130 223 PRO . 51753 1 131 224 GLU . 51753 1 132 225 VAL . 51753 1 133 226 GLY . 51753 1 134 227 SER . 51753 1 135 228 ASP . 51753 1 136 229 CYS . 51753 1 137 230 THR . 51753 1 138 231 THR . 51753 1 139 232 ILE . 51753 1 140 233 HIS . 51753 1 141 234 TYR . 51753 1 142 235 ASN . 51753 1 143 236 TYR . 51753 1 144 237 MET . 51753 1 145 238 CYS . 51753 1 146 239 ASN . 51753 1 147 240 SER . 51753 1 148 241 SER . 51753 1 149 242 CYS . 51753 1 150 243 MET . 51753 1 151 244 GLY . 51753 1 152 245 GLY . 51753 1 153 246 MET . 51753 1 154 247 ASN . 51753 1 155 248 ARG . 51753 1 156 249 ARG . 51753 1 157 250 PRO . 51753 1 158 251 ILE . 51753 1 159 252 LEU . 51753 1 160 253 THR . 51753 1 161 254 ILE . 51753 1 162 255 ILE . 51753 1 163 256 THR . 51753 1 164 257 LEU . 51753 1 165 258 GLU . 51753 1 166 259 ASP . 51753 1 167 260 SER . 51753 1 168 261 SER . 51753 1 169 262 GLY . 51753 1 170 263 ASN . 51753 1 171 264 LEU . 51753 1 172 265 LEU . 51753 1 173 266 GLY . 51753 1 174 267 ARG . 51753 1 175 268 ASN . 51753 1 176 269 SER . 51753 1 177 270 PHE . 51753 1 178 271 GLU . 51753 1 179 272 VAL . 51753 1 180 273 ARG . 51753 1 181 274 VAL . 51753 1 182 275 CYS . 51753 1 183 276 ALA . 51753 1 184 277 CYS . 51753 1 185 278 PRO . 51753 1 186 279 GLY . 51753 1 187 280 ARG . 51753 1 188 281 ASP . 51753 1 189 282 ARG . 51753 1 190 283 ARG . 51753 1 191 284 THR . 51753 1 192 285 GLU . 51753 1 193 286 GLU . 51753 1 194 287 GLU . 51753 1 195 288 ASN . 51753 1 196 289 LEU . 51753 1 197 290 ARG . 51753 1 198 291 LYS . 51753 1 199 292 LYS . 51753 1 200 293 GLY . 51753 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 . SER 1 1 51753 1 . SER 2 2 51753 1 . SER 3 3 51753 1 . VAL 4 4 51753 1 . PRO 5 5 51753 1 . SER 6 6 51753 1 . GLN 7 7 51753 1 . LYS 8 8 51753 1 . THR 9 9 51753 1 . TYR 10 10 51753 1 . GLN 11 11 51753 1 . GLY 12 12 51753 1 . SER 13 13 51753 1 . TYR 14 14 51753 1 . GLY 15 15 51753 1 . PHE 16 16 51753 1 . ARG 17 17 51753 1 . LEU 18 18 51753 1 . GLY 19 19 51753 1 . PHE 20 20 51753 1 . LEU 21 21 51753 1 . HIS 22 22 51753 1 . SER 23 23 51753 1 . GLY 24 24 51753 1 . THR 25 25 51753 1 . ALA 26 26 51753 1 . LYS 27 27 51753 1 . SER 28 28 51753 1 . VAL 29 29 51753 1 . THR 30 30 51753 1 . CYS 31 31 51753 1 . THR 32 32 51753 1 . TYR 33 33 51753 1 . SER 34 34 51753 1 . PRO 35 35 51753 1 . ALA 36 36 51753 1 . LEU 37 37 51753 1 . ASN 38 38 51753 1 . LYS 39 39 51753 1 . MET 40 40 51753 1 . PHE 41 41 51753 1 . CYS 42 42 51753 1 . GLN 43 43 51753 1 . LEU 44 44 51753 1 . ALA 45 45 51753 1 . LYS 46 46 51753 1 . THR 47 47 51753 1 . CYS 48 48 51753 1 . PRO 49 49 51753 1 . VAL 50 50 51753 1 . GLN 51 51 51753 1 . LEU 52 52 51753 1 . TRP 53 53 51753 1 . VAL 54 54 51753 1 . ASP 55 55 51753 1 . SER 56 56 51753 1 . THR 57 57 51753 1 . PRO 58 58 51753 1 . PRO 59 59 51753 1 . PRO 60 60 51753 1 . GLY 61 61 51753 1 . THR 62 62 51753 1 . ARG 63 63 51753 1 . VAL 64 64 51753 1 . ARG 65 65 51753 1 . ALA 66 66 51753 1 . MET 67 67 51753 1 . ALA 68 68 51753 1 . ILE 69 69 51753 1 . TYR 70 70 51753 1 . LYS 71 71 51753 1 . GLN 72 72 51753 1 . SER 73 73 51753 1 . GLN 74 74 51753 1 . HIS 75 75 51753 1 . MET 76 76 51753 1 . THR 77 77 51753 1 . GLU 78 78 51753 1 . VAL 79 79 51753 1 . VAL 80 80 51753 1 . ARG 81 81 51753 1 . ARG 82 82 51753 1 . CYS 83 83 51753 1 . PRO 84 84 51753 1 . HIS 85 85 51753 1 . HIS 86 86 51753 1 . GLU 87 87 51753 1 . ARG 88 88 51753 1 . CYS 89 89 51753 1 . SER 90 90 51753 1 . ASP 91 91 51753 1 . SER 92 92 51753 1 . ASP 93 93 51753 1 . GLY 94 94 51753 1 . LEU 95 95 51753 1 . ALA 96 96 51753 1 . PRO 97 97 51753 1 . PRO 98 98 51753 1 . GLN 99 99 51753 1 . HIS 100 100 51753 1 . LEU 101 101 51753 1 . ILE 102 102 51753 1 . ARG 103 103 51753 1 . VAL 104 104 51753 1 . GLU 105 105 51753 1 . GLY 106 106 51753 1 . ASN 107 107 51753 1 . LEU 108 108 51753 1 . ARG 109 109 51753 1 . VAL 110 110 51753 1 . GLU 111 111 51753 1 . TYR 112 112 51753 1 . LEU 113 113 51753 1 . ASP 114 114 51753 1 . ASP 115 115 51753 1 . ARG 116 116 51753 1 . ASN 117 117 51753 1 . THR 118 118 51753 1 . PHE 119 119 51753 1 . ARG 120 120 51753 1 . HIS 121 121 51753 1 . SER 122 122 51753 1 . VAL 123 123 51753 1 . VAL 124 124 51753 1 . VAL 125 125 51753 1 . PRO 126 126 51753 1 . TYR 127 127 51753 1 . GLU 128 128 51753 1 . PRO 129 129 51753 1 . PRO 130 130 51753 1 . GLU 131 131 51753 1 . VAL 132 132 51753 1 . GLY 133 133 51753 1 . SER 134 134 51753 1 . ASP 135 135 51753 1 . CYS 136 136 51753 1 . THR 137 137 51753 1 . THR 138 138 51753 1 . ILE 139 139 51753 1 . HIS 140 140 51753 1 . TYR 141 141 51753 1 . ASN 142 142 51753 1 . TYR 143 143 51753 1 . MET 144 144 51753 1 . CYS 145 145 51753 1 . ASN 146 146 51753 1 . SER 147 147 51753 1 . SER 148 148 51753 1 . CYS 149 149 51753 1 . MET 150 150 51753 1 . GLY 151 151 51753 1 . GLY 152 152 51753 1 . MET 153 153 51753 1 . ASN 154 154 51753 1 . ARG 155 155 51753 1 . ARG 156 156 51753 1 . PRO 157 157 51753 1 . ILE 158 158 51753 1 . LEU 159 159 51753 1 . THR 160 160 51753 1 . ILE 161 161 51753 1 . ILE 162 162 51753 1 . THR 163 163 51753 1 . LEU 164 164 51753 1 . GLU 165 165 51753 1 . ASP 166 166 51753 1 . SER 167 167 51753 1 . SER 168 168 51753 1 . GLY 169 169 51753 1 . ASN 170 170 51753 1 . LEU 171 171 51753 1 . LEU 172 172 51753 1 . GLY 173 173 51753 1 . ARG 174 174 51753 1 . ASN 175 175 51753 1 . SER 176 176 51753 1 . PHE 177 177 51753 1 . GLU 178 178 51753 1 . VAL 179 179 51753 1 . ARG 180 180 51753 1 . VAL 181 181 51753 1 . CYS 182 182 51753 1 . ALA 183 183 51753 1 . CYS 184 184 51753 1 . PRO 185 185 51753 1 . GLY 186 186 51753 1 . ARG 187 187 51753 1 . ASP 188 188 51753 1 . ARG 189 189 51753 1 . ARG 190 190 51753 1 . THR 191 191 51753 1 . GLU 192 192 51753 1 . GLU 193 193 51753 1 . GLU 194 194 51753 1 . ASN 195 195 51753 1 . LEU 196 196 51753 1 . ARG 197 197 51753 1 . LYS 198 198 51753 1 . LYS 199 199 51753 1 . GLY 200 200 51753 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 51753 _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 . . . . . . . . . . . . . 51753 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 51753 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-27 . . . 51753 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51753 _Sample.ID 1 _Sample.Name 'p53 DBD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'p53 DBD' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 500 . . uM . . . . 51753 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51753 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'p53 DBD' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 51753 1 pressure 1 . atm 51753 1 temperature 298 . K 51753 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51753 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51753 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51753 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51753 2 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 51753 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE III-800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51753 _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 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51753 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51753 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51753 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51753 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 51753 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 51753 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51753 1 N 15 urea nitrogen . . . . ppm 39 external direct 1 . . . . . 51753 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 51753 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'p53 DBD' _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 1 '3D HNCACB' . . . 51753 1 2 '3D CBCA(CO)NH' . . . 51753 1 3 '3D HN(CA)CO' . . . 51753 1 4 '3D HNCO' . . . 51753 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 1 $software_1 . . 51753 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 3 3 SER C C 13 174.1858651 0 . . . . . . . 96 SER C . 51753 1 2 . 1 . 1 3 3 SER CA C 13 58.13605573 0 . . . . . . . 96 SER CA . 51753 1 3 . 1 . 1 3 3 SER CB C 13 63.48523864 0 . . . . . . . 96 SER CB . 51753 1 4 . 1 . 1 4 4 VAL H H 1 8.104452469 0.001530563151 . . . . . . . 97 VAL H . 51753 1 5 . 1 . 1 4 4 VAL C C 13 173.8925206 0 . . . . . . . 97 VAL C . 51753 1 6 . 1 . 1 4 4 VAL CA C 13 59.31979245 0 . . . . . . . 97 VAL CA . 51753 1 7 . 1 . 1 4 4 VAL CB C 13 32.46571392 0 . . . . . . . 97 VAL CB . 51753 1 8 . 1 . 1 4 4 VAL N N 15 123.8064187 0.0109496786 . . . . . . . 97 VAL N . 51753 1 9 . 1 . 1 5 5 PRO C C 13 175.4307985 0 . . . . . . . 98 PRO C . 51753 1 10 . 1 . 1 5 5 PRO CA C 13 62.26961001 0 . . . . . . . 98 PRO CA . 51753 1 11 . 1 . 1 5 5 PRO CB C 13 31.20759203 0 . . . . . . . 98 PRO CB . 51753 1 12 . 1 . 1 6 6 SER H H 1 8.223040258 0.0006984264739 . . . . . . . 99 SER H . 51753 1 13 . 1 . 1 6 6 SER C C 13 174.7338424 0 . . . . . . . 99 SER C . 51753 1 14 . 1 . 1 6 6 SER CA C 13 57.95243884 0 . . . . . . . 99 SER CA . 51753 1 15 . 1 . 1 6 6 SER CB C 13 63.41368741 0 . . . . . . . 99 SER CB . 51753 1 16 . 1 . 1 6 6 SER N N 15 115.3728477 0.0149278532 . . . . . . . 99 SER N . 51753 1 17 . 1 . 1 7 7 GLN H H 1 8.42574609 0.002100098764 . . . . . . . 100 GLN H . 51753 1 18 . 1 . 1 7 7 GLN C C 13 175.821321 0 . . . . . . . 100 GLN C . 51753 1 19 . 1 . 1 7 7 GLN CA C 13 53.91093457 0 . . . . . . . 100 GLN CA . 51753 1 20 . 1 . 1 7 7 GLN CB C 13 29.45224082 0 . . . . . . . 100 GLN CB . 51753 1 21 . 1 . 1 7 7 GLN N N 15 120.6444715 0.01140417313 . . . . . . . 100 GLN N . 51753 1 22 . 1 . 1 8 8 LYS H H 1 7.735623805 0 . . . . . . . 101 LYS H . 51753 1 23 . 1 . 1 8 8 LYS C C 13 176.8665307 0.0005442464832 . . . . . . . 101 LYS C . 51753 1 24 . 1 . 1 8 8 LYS CA C 13 56.8265527 0 . . . . . . . 101 LYS CA . 51753 1 25 . 1 . 1 8 8 LYS CB C 13 31.99743949 0 . . . . . . . 101 LYS CB . 51753 1 26 . 1 . 1 8 8 LYS N N 15 123.5552916 0 . . . . . . . 101 LYS N . 51753 1 27 . 1 . 1 9 9 THR H H 1 8.806528112 0 . . . . . . . 102 THR H . 51753 1 28 . 1 . 1 9 9 THR C C 13 174.2012297 0 . . . . . . . 102 THR C . 51753 1 29 . 1 . 1 9 9 THR CA C 13 64.35415811 0 . . . . . . . 102 THR CA . 51753 1 30 . 1 . 1 9 9 THR CB C 13 68.7203988 0 . . . . . . . 102 THR CB . 51753 1 31 . 1 . 1 9 9 THR N N 15 125.0144564 0 . . . . . . . 102 THR N . 51753 1 32 . 1 . 1 10 10 TYR H H 1 9.308774191 0 . . . . . . . 103 TYR H . 51753 1 33 . 1 . 1 10 10 TYR C C 13 174.5016326 0 . . . . . . . 103 TYR C . 51753 1 34 . 1 . 1 10 10 TYR CA C 13 55.94865238 0 . . . . . . . 103 TYR CA . 51753 1 35 . 1 . 1 10 10 TYR CB C 13 39.70006862 0 . . . . . . . 103 TYR CB . 51753 1 36 . 1 . 1 10 10 TYR N N 15 128.5865935 0 . . . . . . . 103 TYR N . 51753 1 37 . 1 . 1 11 11 GLN C C 13 179.0240615 0 . . . . . . . 104 GLN C . 51753 1 38 . 1 . 1 11 11 GLN CA C 13 58.21729076 0 . . . . . . . 104 GLN CA . 51753 1 39 . 1 . 1 11 11 GLN CB C 13 28.12790058 0 . . . . . . . 104 GLN CB . 51753 1 40 . 1 . 1 12 12 GLY H H 1 7.44266133 0.001288747387 . . . . . . . 105 GLY H . 51753 1 41 . 1 . 1 12 12 GLY C C 13 174.4377483 0 . . . . . . . 105 GLY C . 51753 1 42 . 1 . 1 12 12 GLY CA C 13 44.77863428 0 . . . . . . . 105 GLY CA . 51753 1 43 . 1 . 1 12 12 GLY N N 15 105.3523368 0.0001609309514 . . . . . . . 105 GLY N . 51753 1 44 . 1 . 1 13 13 SER C C 13 179.4649656 0 . . . . . . . 106 SER C . 51753 1 45 . 1 . 1 13 13 SER CA C 13 60.34978867 0 . . . . . . . 106 SER CA . 51753 1 46 . 1 . 1 13 13 SER CB C 13 62.69705616 0 . . . . . . . 106 SER CB . 51753 1 47 . 1 . 1 14 14 TYR H H 1 8.523762092 0.002096834021 . . . . . . . 107 TYR H . 51753 1 48 . 1 . 1 14 14 TYR C C 13 175.7809364 0 . . . . . . . 107 TYR C . 51753 1 49 . 1 . 1 14 14 TYR CA C 13 57.77511473 0 . . . . . . . 107 TYR CA . 51753 1 50 . 1 . 1 14 14 TYR CB C 13 34.9354066 0 . . . . . . . 107 TYR CB . 51753 1 51 . 1 . 1 14 14 TYR N N 15 117.9111089 0 . . . . . . . 107 TYR N . 51753 1 52 . 1 . 1 15 15 GLY H H 1 7.400269716 0.00009371 . . . . . . . 108 GLY H . 51753 1 53 . 1 . 1 15 15 GLY C C 13 173.3502801 0 . . . . . . . 108 GLY C . 51753 1 54 . 1 . 1 15 15 GLY CA C 13 47.73392647 0 . . . . . . . 108 GLY CA . 51753 1 55 . 1 . 1 15 15 GLY N N 15 110.034893 0.006936576478 . . . . . . . 108 GLY N . 51753 1 56 . 1 . 1 16 16 PHE H H 1 8.069190736 0.0005889774395 . . . . . . . 109 PHE H . 51753 1 57 . 1 . 1 16 16 PHE C C 13 174.7524047 0 . . . . . . . 109 PHE C . 51753 1 58 . 1 . 1 16 16 PHE CA C 13 56.26357769 0 . . . . . . . 109 PHE CA . 51753 1 59 . 1 . 1 16 16 PHE CB C 13 39.24428152 0 . . . . . . . 109 PHE CB . 51753 1 60 . 1 . 1 16 16 PHE N N 15 119.3498567 0.007761542976 . . . . . . . 109 PHE N . 51753 1 61 . 1 . 1 17 17 ARG H H 1 8.999603808 0.001173976733 . . . . . . . 110 ARG H . 51753 1 62 . 1 . 1 17 17 ARG C C 13 172.8102565 0 . . . . . . . 110 ARG C . 51753 1 63 . 1 . 1 17 17 ARG CA C 13 54.62682372 0 . . . . . . . 110 ARG CA . 51753 1 64 . 1 . 1 17 17 ARG CB C 13 32.01501445 0 . . . . . . . 110 ARG CB . 51753 1 65 . 1 . 1 17 17 ARG N N 15 128.4868188 0.01154596209 . . . . . . . 110 ARG N . 51753 1 66 . 1 . 1 18 18 LEU H H 1 7.559822464 0.0009301224434 . . . . . . . 111 LEU H . 51753 1 67 . 1 . 1 18 18 LEU C C 13 177.6657353 0 . . . . . . . 111 LEU C . 51753 1 68 . 1 . 1 18 18 LEU CA C 13 51.98948686 0 . . . . . . . 111 LEU CA . 51753 1 69 . 1 . 1 18 18 LEU CB C 13 42.96040466 0 . . . . . . . 111 LEU CB . 51753 1 70 . 1 . 1 18 18 LEU N N 15 116.4708145 0.005695280578 . . . . . . . 111 LEU N . 51753 1 71 . 1 . 1 19 19 GLY H H 1 8.405804718 0.0007158400513 . . . . . . . 112 GLY H . 51753 1 72 . 1 . 1 19 19 GLY C C 13 169.535 0 . . . . . . . 112 GLY C . 51753 1 73 . 1 . 1 19 19 GLY CA C 13 43.43913612 0 . . . . . . . 112 GLY CA . 51753 1 74 . 1 . 1 19 19 GLY N N 15 108.2679401 0.02266261256 . . . . . . . 112 GLY N . 51753 1 75 . 1 . 1 20 20 PHE H H 1 7.725278159 0.0005980042669 . . . . . . . 113 PHE H . 51753 1 76 . 1 . 1 20 20 PHE C C 13 175.6884353 0 . . . . . . . 113 PHE C . 51753 1 77 . 1 . 1 20 20 PHE CA C 13 56.19718689 0 . . . . . . . 113 PHE CA . 51753 1 78 . 1 . 1 20 20 PHE CB C 13 42.09083611 0 . . . . . . . 113 PHE CB . 51753 1 79 . 1 . 1 20 20 PHE N N 15 116.0957021 0.02711170246 . . . . . . . 113 PHE N . 51753 1 80 . 1 . 1 21 21 LEU H H 1 8.959933282 0.00190545909 . . . . . . . 114 LEU H . 51753 1 81 . 1 . 1 21 21 LEU C C 13 177.070017 0 . . . . . . . 114 LEU C . 51753 1 82 . 1 . 1 21 21 LEU CA C 13 54.26009396 0 . . . . . . . 114 LEU CA . 51753 1 83 . 1 . 1 21 21 LEU CB C 13 41.97982022 0 . . . . . . . 114 LEU CB . 51753 1 84 . 1 . 1 21 21 LEU N N 15 123.3132703 0.01017132319 . . . . . . . 114 LEU N . 51753 1 85 . 1 . 1 22 22 HIS H H 1 8.54617087 0.001845153446 . . . . . . . 115 HIS H . 51753 1 86 . 1 . 1 22 22 HIS C C 13 175.7525485 0 . . . . . . . 115 HIS C . 51753 1 87 . 1 . 1 22 22 HIS CA C 13 56.16762504 0 . . . . . . . 115 HIS CA . 51753 1 88 . 1 . 1 22 22 HIS CB C 13 30.09590272 0 . . . . . . . 115 HIS CB . 51753 1 89 . 1 . 1 22 22 HIS N N 15 122.4605814 0.01761156709 . . . . . . . 115 HIS N . 51753 1 90 . 1 . 1 23 23 SER CA C 13 57.52259772 0 . . . . . . . 116 SER CA . 51753 1 91 . 1 . 1 24 24 GLY H H 1 8.627276614 0.0001638950425 . . . . . . . 117 GLY H . 51753 1 92 . 1 . 1 24 24 GLY C C 13 174.102019 0 . . . . . . . 117 GLY C . 51753 1 93 . 1 . 1 24 24 GLY CA C 13 44.7281332 0 . . . . . . . 117 GLY CA . 51753 1 94 . 1 . 1 24 24 GLY N N 15 111.3980873 0 . . . . . . . 117 GLY N . 51753 1 95 . 1 . 1 25 25 THR H H 1 8.286644496 0.002242580896 . . . . . . . 118 THR H . 51753 1 96 . 1 . 1 25 25 THR C C 13 174.2000859 0 . . . . . . . 118 THR C . 51753 1 97 . 1 . 1 25 25 THR CA C 13 60.13884374 0 . . . . . . . 118 THR CA . 51753 1 98 . 1 . 1 25 25 THR CB C 13 69.25099627 0 . . . . . . . 118 THR CB . 51753 1 99 . 1 . 1 25 25 THR N N 15 110.2028182 0.005188809183 . . . . . . . 118 THR N . 51753 1 100 . 1 . 1 26 26 ALA H H 1 8.164263392 0.0002604677148 . . . . . . . 119 ALA H . 51753 1 101 . 1 . 1 26 26 ALA C C 13 178.4780737 0 . . . . . . . 119 ALA C . 51753 1 102 . 1 . 1 26 26 ALA CA C 13 53.09832832 0 . . . . . . . 119 ALA CA . 51753 1 103 . 1 . 1 26 26 ALA CB C 13 18.18898713 0 . . . . . . . 119 ALA CB . 51753 1 104 . 1 . 1 26 26 ALA N N 15 123.9727379 0 . . . . . . . 119 ALA N . 51753 1 105 . 1 . 1 27 27 LYS H H 1 8.251002517 0.003517514203 . . . . . . . 120 LYS H . 51753 1 106 . 1 . 1 27 27 LYS C C 13 176.9492303 0 . . . . . . . 120 LYS C . 51753 1 107 . 1 . 1 27 27 LYS CA C 13 57.65889395 0 . . . . . . . 120 LYS CA . 51753 1 108 . 1 . 1 27 27 LYS CB C 13 31.92495088 0 . . . . . . . 120 LYS CB . 51753 1 109 . 1 . 1 27 27 LYS N N 15 118.0532513 0.000110880789 . . . . . . . 120 LYS N . 51753 1 110 . 1 . 1 28 28 SER H H 1 7.610659412 0.001922178287 . . . . . . . 121 SER H . 51753 1 111 . 1 . 1 28 28 SER C C 13 174.3565907 0 . . . . . . . 121 SER C . 51753 1 112 . 1 . 1 28 28 SER CA C 13 57.50559241 0 . . . . . . . 121 SER CA . 51753 1 113 . 1 . 1 28 28 SER CB C 13 63.40602099 0 . . . . . . . 121 SER CB . 51753 1 114 . 1 . 1 28 28 SER N N 15 112.5937101 0.02223472544 . . . . . . . 121 SER N . 51753 1 115 . 1 . 1 29 29 VAL H H 1 7.832887233 0.0003477761296 . . . . . . . 122 VAL H . 51753 1 116 . 1 . 1 29 29 VAL C C 13 176.1197865 0 . . . . . . . 122 VAL C . 51753 1 117 . 1 . 1 29 29 VAL CA C 13 62.43862693 0 . . . . . . . 122 VAL CA . 51753 1 118 . 1 . 1 29 29 VAL CB C 13 31.96097077 0 . . . . . . . 122 VAL CB . 51753 1 119 . 1 . 1 29 29 VAL N N 15 123.2513836 0.0265785672 . . . . . . . 122 VAL N . 51753 1 120 . 1 . 1 30 30 THR H H 1 8.439837834 0.001278411571 . . . . . . . 123 THR H . 51753 1 121 . 1 . 1 30 30 THR C C 13 174.7047931 0 . . . . . . . 123 THR C . 51753 1 122 . 1 . 1 30 30 THR CA C 13 62.56093134 0 . . . . . . . 123 THR CA . 51753 1 123 . 1 . 1 30 30 THR CB C 13 69.06060818 0 . . . . . . . 123 THR CB . 51753 1 124 . 1 . 1 30 30 THR N N 15 115.2496011 0.02430373263 . . . . . . . 123 THR N . 51753 1 125 . 1 . 1 31 31 CYS H H 1 7.344698651 0.0002083036772 . . . . . . . 124 CYS H . 51753 1 126 . 1 . 1 31 31 CYS C C 13 172.7159833 0 . . . . . . . 124 CYS C . 51753 1 127 . 1 . 1 31 31 CYS CA C 13 58.46786049 0 . . . . . . . 124 CYS CA . 51753 1 128 . 1 . 1 31 31 CYS CB C 13 27.70706543 0 . . . . . . . 124 CYS CB . 51753 1 129 . 1 . 1 31 31 CYS N N 15 120.4126947 0.02188404273 . . . . . . . 124 CYS N . 51753 1 130 . 1 . 1 32 32 THR H H 1 9.497722649 0.0004073331884 . . . . . . . 125 THR H . 51753 1 131 . 1 . 1 32 32 THR C C 13 170.2393469 0 . . . . . . . 125 THR C . 51753 1 132 . 1 . 1 32 32 THR CA C 13 59.95383227 0 . . . . . . . 125 THR CA . 51753 1 133 . 1 . 1 32 32 THR CB C 13 68.33770165 0 . . . . . . . 125 THR CB . 51753 1 134 . 1 . 1 32 32 THR N N 15 123.7898564 0.02327613865 . . . . . . . 125 THR N . 51753 1 135 . 1 . 1 33 33 TYR H H 1 8.68479094 0.001991980251 . . . . . . . 126 TYR H . 51753 1 136 . 1 . 1 33 33 TYR C C 13 173.1071635 0 . . . . . . . 126 TYR C . 51753 1 137 . 1 . 1 33 33 TYR CA C 13 55.94099773 0 . . . . . . . 126 TYR CA . 51753 1 138 . 1 . 1 33 33 TYR CB C 13 40.86151822 0 . . . . . . . 126 TYR CB . 51753 1 139 . 1 . 1 33 33 TYR N N 15 129.2801488 0.01687646203 . . . . . . . 126 TYR N . 51753 1 140 . 1 . 1 34 34 SER H H 1 8.271756384 0.0003475471755 . . . . . . . 127 SER H . 51753 1 141 . 1 . 1 34 34 SER CA C 13 52.86903366 0 . . . . . . . 127 SER CA . 51753 1 142 . 1 . 1 34 34 SER CB C 13 64.41019687 0 . . . . . . . 127 SER CB . 51753 1 143 . 1 . 1 34 34 SER N N 15 120.1813657 0.01531380469 . . . . . . . 127 SER N . 51753 1 144 . 1 . 1 35 35 PRO C C 13 179.3835392 0 . . . . . . . 128 PRO C . 51753 1 145 . 1 . 1 35 35 PRO CA C 13 63.96927699 0 . . . . . . . 128 PRO CA . 51753 1 146 . 1 . 1 35 35 PRO CB C 13 31.19080705 0 . . . . . . . 128 PRO CB . 51753 1 147 . 1 . 1 36 36 ALA H H 1 8.028144405 0.00107266147 . . . . . . . 129 ALA H . 51753 1 148 . 1 . 1 36 36 ALA C C 13 179.4773547 0 . . . . . . . 129 ALA C . 51753 1 149 . 1 . 1 36 36 ALA CA C 13 54.43514307 0 . . . . . . . 129 ALA CA . 51753 1 150 . 1 . 1 36 36 ALA CB C 13 17.99648322 0 . . . . . . . 129 ALA CB . 51753 1 151 . 1 . 1 36 36 ALA N N 15 119.1324738 0.01919782286 . . . . . . . 129 ALA N . 51753 1 152 . 1 . 1 37 37 LEU H H 1 6.960258821 0.0006407131417 . . . . . . . 130 LEU H . 51753 1 153 . 1 . 1 37 37 LEU C C 13 176.6400868 0 . . . . . . . 130 LEU C . 51753 1 154 . 1 . 1 37 37 LEU CA C 13 53.47817227 0 . . . . . . . 130 LEU CA . 51753 1 155 . 1 . 1 37 37 LEU CB C 13 43.31078237 0 . . . . . . . 130 LEU CB . 51753 1 156 . 1 . 1 37 37 LEU N N 15 113.3337722 0.01654774689 . . . . . . . 130 LEU N . 51753 1 157 . 1 . 1 38 38 ASN H H 1 7.882742593 0.000207633873 . . . . . . . 131 ASN H . 51753 1 158 . 1 . 1 38 38 ASN C C 13 173.1144115 0 . . . . . . . 131 ASN C . 51753 1 159 . 1 . 1 38 38 ASN CA C 13 53.21198502 0 . . . . . . . 131 ASN CA . 51753 1 160 . 1 . 1 38 38 ASN CB C 13 36.12290472 0 . . . . . . . 131 ASN CB . 51753 1 161 . 1 . 1 38 38 ASN N N 15 119.5895159 0.006474657951 . . . . . . . 131 ASN N . 51753 1 162 . 1 . 1 39 39 LYS H H 1 6.748888525 0.002135136653 . . . . . . . 132 LYS H . 51753 1 163 . 1 . 1 39 39 LYS C C 13 172.4482198 0 . . . . . . . 132 LYS C . 51753 1 164 . 1 . 1 39 39 LYS CA C 13 53.69830635 0 . . . . . . . 132 LYS CA . 51753 1 165 . 1 . 1 39 39 LYS CB C 13 38.76932934 0 . . . . . . . 132 LYS CB . 51753 1 166 . 1 . 1 39 39 LYS N N 15 118.1179041 0 . . . . . . . 132 LYS N . 51753 1 167 . 1 . 1 40 40 MET H H 1 9.413304744 0.0009475957149 . . . . . . . 133 MET H . 51753 1 168 . 1 . 1 40 40 MET C C 13 172.8003851 0 . . . . . . . 133 MET C . 51753 1 169 . 1 . 1 40 40 MET CA C 13 53.74758299 0 . . . . . . . 133 MET CA . 51753 1 170 . 1 . 1 40 40 MET CB C 13 35.16028528 0 . . . . . . . 133 MET CB . 51753 1 171 . 1 . 1 40 40 MET N N 15 129.064384 0.01803874856 . . . . . . . 133 MET N . 51753 1 172 . 1 . 1 41 41 PHE H H 1 9.175023471 0.00278811055 . . . . . . . 134 PHE H . 51753 1 173 . 1 . 1 41 41 PHE C C 13 174.5883363 0 . . . . . . . 134 PHE C . 51753 1 174 . 1 . 1 41 41 PHE CA C 13 55.02770386 0 . . . . . . . 134 PHE CA . 51753 1 175 . 1 . 1 41 41 PHE CB C 13 40.36501851 0 . . . . . . . 134 PHE CB . 51753 1 176 . 1 . 1 41 41 PHE N N 15 126.1863618 0.01153169812 . . . . . . . 134 PHE N . 51753 1 177 . 1 . 1 42 42 CYS H H 1 9.202120709 0.0009379139935 . . . . . . . 135 CYS H . 51753 1 178 . 1 . 1 42 42 CYS C C 13 171.9722398 0 . . . . . . . 135 CYS C . 51753 1 179 . 1 . 1 42 42 CYS CA C 13 54.73127133 0 . . . . . . . 135 CYS CA . 51753 1 180 . 1 . 1 42 42 CYS CB C 13 32.75581231 0 . . . . . . . 135 CYS CB . 51753 1 181 . 1 . 1 42 42 CYS N N 15 119.623412 0.004173383851 . . . . . . . 135 CYS N . 51753 1 182 . 1 . 1 43 43 GLN H H 1 7.740498656 0.000422546874 . . . . . . . 136 GLN H . 51753 1 183 . 1 . 1 43 43 GLN C C 13 176.538869 0 . . . . . . . 136 GLN C . 51753 1 184 . 1 . 1 43 43 GLN CA C 13 54.06846787 0 . . . . . . . 136 GLN CA . 51753 1 185 . 1 . 1 43 43 GLN CB C 13 31.07579167 0 . . . . . . . 136 GLN CB . 51753 1 186 . 1 . 1 43 43 GLN N N 15 118.0246066 0.01930259702 . . . . . . . 136 GLN N . 51753 1 187 . 1 . 1 44 44 LEU H H 1 8.490036191 0.00198537142 . . . . . . . 137 LEU H . 51753 1 188 . 1 . 1 44 44 LEU C C 13 177.0042065 0 . . . . . . . 137 LEU C . 51753 1 189 . 1 . 1 44 44 LEU CA C 13 56.77068586 0 . . . . . . . 137 LEU CA . 51753 1 190 . 1 . 1 44 44 LEU CB C 13 41.1857928 0 . . . . . . . 137 LEU CB . 51753 1 191 . 1 . 1 44 44 LEU N N 15 125.6784086 0.02997179054 . . . . . . . 137 LEU N . 51753 1 192 . 1 . 1 45 45 ALA H H 1 8.898438728 0.0004857758657 . . . . . . . 138 ALA H . 51753 1 193 . 1 . 1 45 45 ALA C C 13 175.7308723 0 . . . . . . . 138 ALA C . 51753 1 194 . 1 . 1 45 45 ALA CA C 13 54.36023598 0 . . . . . . . 138 ALA CA . 51753 1 195 . 1 . 1 45 45 ALA CB C 13 17.0366488 0 . . . . . . . 138 ALA CB . 51753 1 196 . 1 . 1 45 45 ALA N N 15 123.6117387 0.009606003837 . . . . . . . 138 ALA N . 51753 1 197 . 1 . 1 46 46 LYS H H 1 7.380116552 0.0008042713114 . . . . . . . 139 LYS H . 51753 1 198 . 1 . 1 46 46 LYS C C 13 177.3671177 0 . . . . . . . 139 LYS C . 51753 1 199 . 1 . 1 46 46 LYS CA C 13 53.5581215 0 . . . . . . . 139 LYS CA . 51753 1 200 . 1 . 1 46 46 LYS CB C 13 32.19874643 0 . . . . . . . 139 LYS CB . 51753 1 201 . 1 . 1 46 46 LYS N N 15 117.9578653 0.01013176727 . . . . . . . 139 LYS N . 51753 1 202 . 1 . 1 47 47 THR H H 1 8.03694325 0.00108239868 . . . . . . . 140 THR H . 51753 1 203 . 1 . 1 47 47 THR C C 13 173.9880734 0 . . . . . . . 140 THR C . 51753 1 204 . 1 . 1 47 47 THR CA C 13 65.54383269 0 . . . . . . . 140 THR CA . 51753 1 205 . 1 . 1 47 47 THR CB C 13 68.64824154 0 . . . . . . . 140 THR CB . 51753 1 206 . 1 . 1 47 47 THR N N 15 117.6963923 0.02146207408 . . . . . . . 140 THR N . 51753 1 207 . 1 . 1 48 48 CYS H H 1 9.180835917 0.0007795686272 . . . . . . . 141 CYS H . 51753 1 208 . 1 . 1 48 48 CYS C C 13 172.7857178 0 . . . . . . . 141 CYS C . 51753 1 209 . 1 . 1 48 48 CYS CA C 13 55.17627931 0 . . . . . . . 141 CYS CA . 51753 1 210 . 1 . 1 48 48 CYS CB C 13 27.93988367 0 . . . . . . . 141 CYS CB . 51753 1 211 . 1 . 1 48 48 CYS N N 15 126.9596909 0.01080955169 . . . . . . . 141 CYS N . 51753 1 212 . 1 . 1 49 49 PRO C C 13 175.7453566 0 . . . . . . . 142 PRO C . 51753 1 213 . 1 . 1 49 49 PRO CA C 13 61.59833679 0 . . . . . . . 142 PRO CA . 51753 1 214 . 1 . 1 49 49 PRO CB C 13 30.67336532 0 . . . . . . . 142 PRO CB . 51753 1 215 . 1 . 1 50 50 VAL H H 1 8.990012164 0.002888869012 . . . . . . . 143 VAL H . 51753 1 216 . 1 . 1 50 50 VAL C C 13 174.4245758 0 . . . . . . . 143 VAL C . 51753 1 217 . 1 . 1 50 50 VAL CA C 13 61.68471507 0 . . . . . . . 143 VAL CA . 51753 1 218 . 1 . 1 50 50 VAL CB C 13 34.15343673 0 . . . . . . . 143 VAL CB . 51753 1 219 . 1 . 1 50 50 VAL N N 15 125.6328095 0.01767721467 . . . . . . . 143 VAL N . 51753 1 220 . 1 . 1 51 51 GLN H H 1 8.31888047 0.0005279505561 . . . . . . . 144 GLN H . 51753 1 221 . 1 . 1 51 51 GLN C C 13 175.4374472 0 . . . . . . . 144 GLN C . 51753 1 222 . 1 . 1 51 51 GLN CA C 13 53.17213687 0 . . . . . . . 144 GLN CA . 51753 1 223 . 1 . 1 51 51 GLN CB C 13 29.18523377 0 . . . . . . . 144 GLN CB . 51753 1 224 . 1 . 1 51 51 GLN N N 15 122.0727536 0.02460068118 . . . . . . . 144 GLN N . 51753 1 225 . 1 . 1 52 52 LEU H H 1 9.30058639 0.004021150529 . . . . . . . 145 LEU H . 51753 1 226 . 1 . 1 52 52 LEU C C 13 175.5547739 0 . . . . . . . 145 LEU C . 51753 1 227 . 1 . 1 52 52 LEU CA C 13 53.2094055 0 . . . . . . . 145 LEU CA . 51753 1 228 . 1 . 1 52 52 LEU CB C 13 41.16178394 0 . . . . . . . 145 LEU CB . 51753 1 229 . 1 . 1 52 52 LEU N N 15 120.2232613 0.02268243365 . . . . . . . 145 LEU N . 51753 1 230 . 1 . 1 53 53 TRP H H 1 8.973184688 0.002010663476 . . . . . . . 146 TRP H . 51753 1 231 . 1 . 1 53 53 TRP C C 13 174.6891314 0 . . . . . . . 146 TRP C . 51753 1 232 . 1 . 1 53 53 TRP CA C 13 56.01701249 0 . . . . . . . 146 TRP CA . 51753 1 233 . 1 . 1 53 53 TRP CB C 13 29.40369293 0 . . . . . . . 146 TRP CB . 51753 1 234 . 1 . 1 53 53 TRP N N 15 127.3428327 0.02888006335 . . . . . . . 146 TRP N . 51753 1 235 . 1 . 1 54 54 VAL H H 1 8.104508726 0.001001349035 . . . . . . . 147 VAL H . 51753 1 236 . 1 . 1 54 54 VAL C C 13 176.4895595 0 . . . . . . . 147 VAL C . 51753 1 237 . 1 . 1 54 54 VAL CA C 13 58.8413441 0 . . . . . . . 147 VAL CA . 51753 1 238 . 1 . 1 54 54 VAL CB C 13 34.11749331 0 . . . . . . . 147 VAL CB . 51753 1 239 . 1 . 1 54 54 VAL N N 15 112.1466758 0.01043013645 . . . . . . . 147 VAL N . 51753 1 240 . 1 . 1 55 55 ASP H H 1 8.990966712 0.00115230677 . . . . . . . 148 ASP H . 51753 1 241 . 1 . 1 55 55 ASP C C 13 176.6934687 0 . . . . . . . 148 ASP C . 51753 1 242 . 1 . 1 55 55 ASP CA C 13 55.36392148 0 . . . . . . . 148 ASP CA . 51753 1 243 . 1 . 1 55 55 ASP CB C 13 41.32145161 0 . . . . . . . 148 ASP CB . 51753 1 244 . 1 . 1 55 55 ASP N N 15 122.5884279 0.01292484554 . . . . . . . 148 ASP N . 51753 1 245 . 1 . 1 56 56 SER H H 1 7.732136012 0.0009352790544 . . . . . . . 149 SER H . 51753 1 246 . 1 . 1 56 56 SER C C 13 172.4623951 0 . . . . . . . 149 SER C . 51753 1 247 . 1 . 1 56 56 SER CA C 13 56.60004896 0 . . . . . . . 149 SER CA . 51753 1 248 . 1 . 1 56 56 SER CB C 13 64.6172323 0 . . . . . . . 149 SER CB . 51753 1 249 . 1 . 1 56 56 SER N N 15 113.4923578 0.01209448159 . . . . . . . 149 SER N . 51753 1 250 . 1 . 1 57 57 THR H H 1 8.130869089 0.000920141904 . . . . . . . 150 THR H . 51753 1 251 . 1 . 1 57 57 THR C C 13 172.731665 0 . . . . . . . 150 THR C . 51753 1 252 . 1 . 1 57 57 THR CA C 13 61.57582262 0 . . . . . . . 150 THR CA . 51753 1 253 . 1 . 1 57 57 THR CB C 13 69.375235 0 . . . . . . . 150 THR CB . 51753 1 254 . 1 . 1 57 57 THR N N 15 117.7509547 0.00415636279 . . . . . . . 150 THR N . 51753 1 255 . 1 . 1 60 60 PRO C C 13 177.8352419 0 . . . . . . . 153 PRO C . 51753 1 256 . 1 . 1 60 60 PRO CA C 13 63.4681867 0 . . . . . . . 153 PRO CA . 51753 1 257 . 1 . 1 60 60 PRO CB C 13 30.64418241 0 . . . . . . . 153 PRO CB . 51753 1 258 . 1 . 1 61 61 GLY H H 1 8.711053005 0.0005961972404 . . . . . . . 154 GLY H . 51753 1 259 . 1 . 1 61 61 GLY C C 13 174.3156481 0 . . . . . . . 154 GLY C . 51753 1 260 . 1 . 1 61 61 GLY CA C 13 44.76701318 0 . . . . . . . 154 GLY CA . 51753 1 261 . 1 . 1 61 61 GLY N N 15 113.2567862 0 . . . . . . . 154 GLY N . 51753 1 262 . 1 . 1 62 62 THR H H 1 7.555175884 0.001064735876 . . . . . . . 155 THR H . 51753 1 263 . 1 . 1 62 62 THR C C 13 174.1275058 0 . . . . . . . 155 THR C . 51753 1 264 . 1 . 1 62 62 THR CA C 13 64.47073633 0 . . . . . . . 155 THR CA . 51753 1 265 . 1 . 1 62 62 THR CB C 13 67.9477827 0 . . . . . . . 155 THR CB . 51753 1 266 . 1 . 1 62 62 THR N N 15 118.2927461 0.006062532608 . . . . . . . 155 THR N . 51753 1 267 . 1 . 1 63 63 ARG H H 1 9.588940791 0.0007703060131 . . . . . . . 156 ARG H . 51753 1 268 . 1 . 1 63 63 ARG C C 13 173.2608741 0 . . . . . . . 156 ARG C . 51753 1 269 . 1 . 1 63 63 ARG CA C 13 54.89581184 0 . . . . . . . 156 ARG CA . 51753 1 270 . 1 . 1 63 63 ARG CB C 13 33.67733394 0 . . . . . . . 156 ARG CB . 51753 1 271 . 1 . 1 63 63 ARG N N 15 128.5829727 0.008104077221 . . . . . . . 156 ARG N . 51753 1 272 . 1 . 1 64 64 VAL H H 1 9.007264682 0.0004694590323 . . . . . . . 157 VAL H . 51753 1 273 . 1 . 1 64 64 VAL C C 13 175.5384527 0 . . . . . . . 157 VAL C . 51753 1 274 . 1 . 1 64 64 VAL CA C 13 60.37054101 0 . . . . . . . 157 VAL CA . 51753 1 275 . 1 . 1 64 64 VAL CB C 13 32.29943549 0 . . . . . . . 157 VAL CB . 51753 1 276 . 1 . 1 64 64 VAL N N 15 120.4451844 0.01821393218 . . . . . . . 157 VAL N . 51753 1 277 . 1 . 1 65 65 ARG C C 13 173.3277897 0 . . . . . . . 158 ARG C . 51753 1 278 . 1 . 1 65 65 ARG CA C 13 54.04784717 0 . . . . . . . 158 ARG CA . 51753 1 279 . 1 . 1 65 65 ARG CB C 13 32.32147812 0 . . . . . . . 158 ARG CB . 51753 1 280 . 1 . 1 66 66 ALA H H 1 8.654548345 0.003078085826 . . . . . . . 159 ALA H . 51753 1 281 . 1 . 1 66 66 ALA C C 13 175.6219603 0 . . . . . . . 159 ALA C . 51753 1 282 . 1 . 1 66 66 ALA CA C 13 50.07487937 0 . . . . . . . 159 ALA CA . 51753 1 283 . 1 . 1 66 66 ALA CB C 13 21.25197494 0 . . . . . . . 159 ALA CB . 51753 1 284 . 1 . 1 66 66 ALA N N 15 127.2024727 0.02622734753 . . . . . . . 159 ALA N . 51753 1 285 . 1 . 1 67 67 MET H H 1 8.045944148 0.00205537832 . . . . . . . 160 MET H . 51753 1 286 . 1 . 1 67 67 MET C C 13 172.5495639 0 . . . . . . . 160 MET C . 51753 1 287 . 1 . 1 67 67 MET CA C 13 53.96918078 0 . . . . . . . 160 MET CA . 51753 1 288 . 1 . 1 67 67 MET CB C 13 37.67934175 0 . . . . . . . 160 MET CB . 51753 1 289 . 1 . 1 67 67 MET N N 15 118.22165 0.01175448709 . . . . . . . 160 MET N . 51753 1 290 . 1 . 1 68 68 ALA H H 1 9.437577003 0.0001781688419 . . . . . . . 161 ALA H . 51753 1 291 . 1 . 1 68 68 ALA C C 13 175.7809939 0 . . . . . . . 161 ALA C . 51753 1 292 . 1 . 1 68 68 ALA CA C 13 49.33598347 0 . . . . . . . 161 ALA CA . 51753 1 293 . 1 . 1 68 68 ALA CB C 13 20.70621626 0 . . . . . . . 161 ALA CB . 51753 1 294 . 1 . 1 68 68 ALA N N 15 127.6162852 0.01066379593 . . . . . . . 161 ALA N . 51753 1 295 . 1 . 1 69 69 ILE H H 1 8.375950719 0.001028577431 . . . . . . . 162 ILE H . 51753 1 296 . 1 . 1 69 69 ILE C C 13 175.0584835 0 . . . . . . . 162 ILE C . 51753 1 297 . 1 . 1 69 69 ILE CA C 13 59.12734832 0 . . . . . . . 162 ILE CA . 51753 1 298 . 1 . 1 69 69 ILE CB C 13 41.92530444 0 . . . . . . . 162 ILE CB . 51753 1 299 . 1 . 1 69 69 ILE N N 15 112.3030353 0.02582567094 . . . . . . . 162 ILE N . 51753 1 300 . 1 . 1 70 70 TYR H H 1 9.099136963 0.0008617087012 . . . . . . . 163 TYR H . 51753 1 301 . 1 . 1 70 70 TYR C C 13 174.5965979 0 . . . . . . . 163 TYR C . 51753 1 302 . 1 . 1 70 70 TYR CA C 13 60.61132052 0 . . . . . . . 163 TYR CA . 51753 1 303 . 1 . 1 70 70 TYR CB C 13 36.62522477 0 . . . . . . . 163 TYR CB . 51753 1 304 . 1 . 1 70 70 TYR N N 15 122.8296031 0.0259379174 . . . . . . . 163 TYR N . 51753 1 305 . 1 . 1 71 71 LYS H H 1 7.631439082 0.001027835076 . . . . . . . 164 LYS H . 51753 1 306 . 1 . 1 71 71 LYS C C 13 177.3946912 0 . . . . . . . 164 LYS C . 51753 1 307 . 1 . 1 71 71 LYS CA C 13 57.59630325 0 . . . . . . . 164 LYS CA . 51753 1 308 . 1 . 1 71 71 LYS CB C 13 34.99467124 0 . . . . . . . 164 LYS CB . 51753 1 309 . 1 . 1 71 71 LYS N N 15 119.2222017 0.01354125416 . . . . . . . 164 LYS N . 51753 1 310 . 1 . 1 72 72 GLN H H 1 8.99403208 0.0008193388283 . . . . . . . 165 GLN H . 51753 1 311 . 1 . 1 72 72 GLN C C 13 178.3828003 0 . . . . . . . 165 GLN C . 51753 1 312 . 1 . 1 72 72 GLN CA C 13 55.24444118 0 . . . . . . . 165 GLN CA . 51753 1 313 . 1 . 1 72 72 GLN CB C 13 28.89487951 0 . . . . . . . 165 GLN CB . 51753 1 314 . 1 . 1 72 72 GLN N N 15 116.5625062 0.004102226275 . . . . . . . 165 GLN N . 51753 1 315 . 1 . 1 74 74 GLN CA C 13 57.56776421 0 . . . . . . . 167 GLN CA . 51753 1 316 . 1 . 1 74 74 GLN CB C 13 26.36328758 0 . . . . . . . 167 GLN CB . 51753 1 317 . 1 . 1 75 75 HIS H H 1 7.418790544 0.0004071147512 . . . . . . . 168 HIS H . 51753 1 318 . 1 . 1 75 75 HIS C C 13 176.5325818 0 . . . . . . . 168 HIS C . 51753 1 319 . 1 . 1 75 75 HIS CA C 13 54.88179189 0 . . . . . . . 168 HIS CA . 51753 1 320 . 1 . 1 75 75 HIS CB C 13 31.70781178 0 . . . . . . . 168 HIS CB . 51753 1 321 . 1 . 1 75 75 HIS N N 15 116.2780774 0.02584497212 . . . . . . . 168 HIS N . 51753 1 322 . 1 . 1 76 76 MET H H 1 7.382318535 0.001459173886 . . . . . . . 169 MET H . 51753 1 323 . 1 . 1 76 76 MET C C 13 178.6353653 0 . . . . . . . 169 MET C . 51753 1 324 . 1 . 1 76 76 MET CA C 13 60.01294993 0 . . . . . . . 169 MET CA . 51753 1 325 . 1 . 1 76 76 MET CB C 13 32.80406192 0 . . . . . . . 169 MET CB . 51753 1 326 . 1 . 1 76 76 MET N N 15 119.0167381 0.009520626182 . . . . . . . 169 MET N . 51753 1 327 . 1 . 1 77 77 THR H H 1 8.309087042 0.001325471708 . . . . . . . 170 THR H . 51753 1 328 . 1 . 1 77 77 THR C C 13 173.8601481 0 . . . . . . . 170 THR C . 51753 1 329 . 1 . 1 77 77 THR CA C 13 63.13098914 0 . . . . . . . 170 THR CA . 51753 1 330 . 1 . 1 77 77 THR CB C 13 68.47587893 0 . . . . . . . 170 THR CB . 51753 1 331 . 1 . 1 77 77 THR N N 15 110.11364 0.03032685643 . . . . . . . 170 THR N . 51753 1 332 . 1 . 1 78 78 GLU H H 1 7.951753221 0.001235366224 . . . . . . . 171 GLU H . 51753 1 333 . 1 . 1 78 78 GLU C C 13 176.0140802 0 . . . . . . . 171 GLU C . 51753 1 334 . 1 . 1 78 78 GLU CA C 13 55.66656184 0 . . . . . . . 171 GLU CA . 51753 1 335 . 1 . 1 78 78 GLU CB C 13 29.42823832 0 . . . . . . . 171 GLU CB . 51753 1 336 . 1 . 1 78 78 GLU N N 15 124.4892948 0.008172392517 . . . . . . . 171 GLU N . 51753 1 337 . 1 . 1 79 79 VAL H H 1 8.679489118 0.004324007899 . . . . . . . 172 VAL H . 51753 1 338 . 1 . 1 79 79 VAL C C 13 177.1747771 0 . . . . . . . 172 VAL C . 51753 1 339 . 1 . 1 79 79 VAL CA C 13 63.96424759 0 . . . . . . . 172 VAL CA . 51753 1 340 . 1 . 1 79 79 VAL CB C 13 31.62083548 0 . . . . . . . 172 VAL CB . 51753 1 341 . 1 . 1 79 79 VAL N N 15 126.9348953 0.002460921418 . . . . . . . 172 VAL N . 51753 1 342 . 1 . 1 80 80 VAL H H 1 8.441805689 0.0003328406195 . . . . . . . 173 VAL H . 51753 1 343 . 1 . 1 80 80 VAL C C 13 175.1915879 0 . . . . . . . 173 VAL C . 51753 1 344 . 1 . 1 80 80 VAL CA C 13 63.07196984 0 . . . . . . . 173 VAL CA . 51753 1 345 . 1 . 1 80 80 VAL CB C 13 30.17566874 0 . . . . . . . 173 VAL CB . 51753 1 346 . 1 . 1 80 80 VAL N N 15 129.3968029 0.02331077507 . . . . . . . 173 VAL N . 51753 1 347 . 1 . 1 81 81 ARG H H 1 7.914350138 0.0005188403867 . . . . . . . 174 ARG H . 51753 1 348 . 1 . 1 81 81 ARG C C 13 174.5378911 0 . . . . . . . 174 ARG C . 51753 1 349 . 1 . 1 81 81 ARG CA C 13 54.25800555 0 . . . . . . . 174 ARG CA . 51753 1 350 . 1 . 1 81 81 ARG CB C 13 32.64541259 0 . . . . . . . 174 ARG CB . 51753 1 351 . 1 . 1 81 81 ARG N N 15 127.0225423 0.02146877853 . . . . . . . 174 ARG N . 51753 1 352 . 1 . 1 82 82 ARG H H 1 7.888630932 0.001381283144 . . . . . . . 175 ARG H . 51753 1 353 . 1 . 1 82 82 ARG C C 13 176.1919841 0 . . . . . . . 175 ARG C . 51753 1 354 . 1 . 1 82 82 ARG CA C 13 56.88709961 0 . . . . . . . 175 ARG CA . 51753 1 355 . 1 . 1 82 82 ARG CB C 13 31.50853991 0 . . . . . . . 175 ARG CB . 51753 1 356 . 1 . 1 82 82 ARG N N 15 116.4283163 0.01140843152 . . . . . . . 175 ARG N . 51753 1 357 . 1 . 1 83 83 CYS H H 1 8.56030095 0 . . . . . . . 176 CYS H . 51753 1 358 . 1 . 1 83 83 CYS C C 13 172.3062194 0 . . . . . . . 176 CYS C . 51753 1 359 . 1 . 1 83 83 CYS CA C 13 56.17005907 0 . . . . . . . 176 CYS CA . 51753 1 360 . 1 . 1 83 83 CYS CB C 13 29.12492536 0 . . . . . . . 176 CYS CB . 51753 1 361 . 1 . 1 83 83 CYS N N 15 125.0739735 0 . . . . . . . 176 CYS N . 51753 1 362 . 1 . 1 84 84 PRO C C 13 178.7255097 0 . . . . . . . 177 PRO C . 51753 1 363 . 1 . 1 84 84 PRO CA C 13 65.33547906 0 . . . . . . . 177 PRO CA . 51753 1 364 . 1 . 1 84 84 PRO CB C 13 31.10262796 0 . . . . . . . 177 PRO CB . 51753 1 365 . 1 . 1 85 85 HIS H H 1 7.756493375 0.0004673329076 . . . . . . . 178 HIS H . 51753 1 366 . 1 . 1 85 85 HIS C C 13 177.9015378 0 . . . . . . . 178 HIS C . 51753 1 367 . 1 . 1 85 85 HIS CA C 13 59.40034451 0 . . . . . . . 178 HIS CA . 51753 1 368 . 1 . 1 85 85 HIS CB C 13 29.9341848 0 . . . . . . . 178 HIS CB . 51753 1 369 . 1 . 1 85 85 HIS N N 15 116.1201494 0.02444187398 . . . . . . . 178 HIS N . 51753 1 370 . 1 . 1 86 86 HIS H H 1 8.920510958 0.001621605456 . . . . . . . 179 HIS H . 51753 1 371 . 1 . 1 86 86 HIS C C 13 177.8143266 0 . . . . . . . 179 HIS C . 51753 1 372 . 1 . 1 86 86 HIS CA C 13 62.33148898 0 . . . . . . . 179 HIS CA . 51753 1 373 . 1 . 1 86 86 HIS CB C 13 29.39248862 0 . . . . . . . 179 HIS CB . 51753 1 374 . 1 . 1 86 86 HIS N N 15 120.3618675 0.01112260482 . . . . . . . 179 HIS N . 51753 1 375 . 1 . 1 87 87 GLU H H 1 8.690775875 0.001833284844 . . . . . . . 180 GLU H . 51753 1 376 . 1 . 1 87 87 GLU C C 13 177.774505 0 . . . . . . . 180 GLU C . 51753 1 377 . 1 . 1 87 87 GLU CA C 13 58.87881624 0 . . . . . . . 180 GLU CA . 51753 1 378 . 1 . 1 87 87 GLU CB C 13 29.02529659 0 . . . . . . . 180 GLU CB . 51753 1 379 . 1 . 1 87 87 GLU N N 15 120.4454151 0.002620228819 . . . . . . . 180 GLU N . 51753 1 380 . 1 . 1 88 88 ARG H H 1 7.114248695 0.0012358508 . . . . . . . 181 ARG H . 51753 1 381 . 1 . 1 88 88 ARG C C 13 177.0404156 0 . . . . . . . 181 ARG C . 51753 1 382 . 1 . 1 88 88 ARG CA C 13 56.05494565 0 . . . . . . . 181 ARG CA . 51753 1 383 . 1 . 1 88 88 ARG CB C 13 29.69561257 0 . . . . . . . 181 ARG CB . 51753 1 384 . 1 . 1 88 88 ARG N N 15 114.9245388 0.01501201779 . . . . . . . 181 ARG N . 51753 1 385 . 1 . 1 89 89 CYS H H 1 7.354916031 0.001014601426 . . . . . . . 182 CYS H . 51753 1 386 . 1 . 1 89 89 CYS C C 13 174.784988 0 . . . . . . . 182 CYS C . 51753 1 387 . 1 . 1 89 89 CYS CA C 13 59.52658011 0 . . . . . . . 182 CYS CA . 51753 1 388 . 1 . 1 89 89 CYS CB C 13 26.93112061 0 . . . . . . . 182 CYS CB . 51753 1 389 . 1 . 1 89 89 CYS N N 15 118.7230062 0.01105733161 . . . . . . . 182 CYS N . 51753 1 390 . 1 . 1 90 90 SER C C 13 174.609309 0 . . . . . . . 183 SER C . 51753 1 391 . 1 . 1 90 90 SER CA C 13 57.60358821 0 . . . . . . . 183 SER CA . 51753 1 392 . 1 . 1 90 90 SER CB C 13 62.22155331 0 . . . . . . . 183 SER CB . 51753 1 393 . 1 . 1 91 91 ASP H H 1 7.95718778 0.0009739003602 . . . . . . . 184 ASP H . 51753 1 394 . 1 . 1 91 91 ASP C C 13 176.3639791 0 . . . . . . . 184 ASP C . 51753 1 395 . 1 . 1 91 91 ASP CA C 13 52.57630938 0 . . . . . . . 184 ASP CA . 51753 1 396 . 1 . 1 91 91 ASP CB C 13 40.60212663 0 . . . . . . . 184 ASP CB . 51753 1 397 . 1 . 1 91 91 ASP N N 15 121.9709684 0.01555223982 . . . . . . . 184 ASP N . 51753 1 398 . 1 . 1 92 92 SER H H 1 8.335519084 0.001664415567 . . . . . . . 185 SER H . 51753 1 399 . 1 . 1 92 92 SER C C 13 175.0423305 0 . . . . . . . 185 SER C . 51753 1 400 . 1 . 1 92 92 SER CA C 13 58.7961495 0 . . . . . . . 185 SER CA . 51753 1 401 . 1 . 1 92 92 SER CB C 13 63.38256887 0 . . . . . . . 185 SER CB . 51753 1 402 . 1 . 1 92 92 SER N N 15 116.4237389 0.02173399969 . . . . . . . 185 SER N . 51753 1 403 . 1 . 1 93 93 ASP H H 1 8.077765463 0.0008403579621 . . . . . . . 186 ASP H . 51753 1 404 . 1 . 1 93 93 ASP C C 13 176.8358385 0 . . . . . . . 186 ASP C . 51753 1 405 . 1 . 1 93 93 ASP CA C 13 53.48574622 0 . . . . . . . 186 ASP CA . 51753 1 406 . 1 . 1 93 93 ASP CB C 13 40.25494404 0 . . . . . . . 186 ASP CB . 51753 1 407 . 1 . 1 93 93 ASP N N 15 124.7361171 0.01623346024 . . . . . . . 186 ASP N . 51753 1 408 . 1 . 1 94 94 GLY H H 1 8.389819433 0.001023903786 . . . . . . . 187 GLY H . 51753 1 409 . 1 . 1 94 94 GLY C C 13 173.6031036 0 . . . . . . . 187 GLY C . 51753 1 410 . 1 . 1 94 94 GLY CA C 13 44.86480843 0 . . . . . . . 187 GLY CA . 51753 1 411 . 1 . 1 94 94 GLY N N 15 109.4683287 0.02660579563 . . . . . . . 187 GLY N . 51753 1 412 . 1 . 1 95 95 LEU H H 1 8.164423514 0.000557234436 . . . . . . . 188 LEU H . 51753 1 413 . 1 . 1 95 95 LEU C C 13 176.8888617 0 . . . . . . . 188 LEU C . 51753 1 414 . 1 . 1 95 95 LEU CA C 13 55.47157903 0 . . . . . . . 188 LEU CA . 51753 1 415 . 1 . 1 95 95 LEU CB C 13 43.2953351 0 . . . . . . . 188 LEU CB . 51753 1 416 . 1 . 1 95 95 LEU N N 15 122.0299823 0.002343426778 . . . . . . . 188 LEU N . 51753 1 417 . 1 . 1 96 96 ALA H H 1 8.819909605 0.0002025459497 . . . . . . . 189 ALA H . 51753 1 418 . 1 . 1 96 96 ALA C C 13 175.0984219 0 . . . . . . . 189 ALA C . 51753 1 419 . 1 . 1 96 96 ALA CA C 13 49.45112632 0 . . . . . . . 189 ALA CA . 51753 1 420 . 1 . 1 96 96 ALA CB C 13 17.57739376 0 . . . . . . . 189 ALA CB . 51753 1 421 . 1 . 1 96 96 ALA N N 15 124.5932526 0 . . . . . . . 189 ALA N . 51753 1 422 . 1 . 1 98 98 PRO C C 13 176.4097809 0 . . . . . . . 191 PRO C . 51753 1 423 . 1 . 1 98 98 PRO CA C 13 64.75969193 0 . . . . . . . 191 PRO CA . 51753 1 424 . 1 . 1 98 98 PRO CB C 13 31.76224285 0 . . . . . . . 191 PRO CB . 51753 1 425 . 1 . 1 99 99 GLN H H 1 8.456280331 0.0001739675285 . . . . . . . 192 GLN H . 51753 1 426 . 1 . 1 99 99 GLN C C 13 176.9853696 0 . . . . . . . 192 GLN C . 51753 1 427 . 1 . 1 99 99 GLN CA C 13 57.13340422 0 . . . . . . . 192 GLN CA . 51753 1 428 . 1 . 1 99 99 GLN CB C 13 27.93108596 0 . . . . . . . 192 GLN CB . 51753 1 429 . 1 . 1 99 99 GLN N N 15 113.349592 0.01087486611 . . . . . . . 192 GLN N . 51753 1 430 . 1 . 1 100 100 HIS H H 1 7.167097342 0.0004753463806 . . . . . . . 193 HIS H . 51753 1 431 . 1 . 1 100 100 HIS C C 13 176.7953584 0 . . . . . . . 193 HIS C . 51753 1 432 . 1 . 1 100 100 HIS CA C 13 57.50012436 0 . . . . . . . 193 HIS CA . 51753 1 433 . 1 . 1 100 100 HIS CB C 13 31.08338111 0 . . . . . . . 193 HIS CB . 51753 1 434 . 1 . 1 100 100 HIS N N 15 118.5184304 0.01764381268 . . . . . . . 193 HIS N . 51753 1 435 . 1 . 1 101 101 LEU CA C 13 57.80768152 0 . . . . . . . 194 LEU CA . 51753 1 436 . 1 . 1 102 102 ILE H H 1 7.694111189 0.001200498981 . . . . . . . 195 ILE H . 51753 1 437 . 1 . 1 102 102 ILE C C 13 176.4236042 0 . . . . . . . 195 ILE C . 51753 1 438 . 1 . 1 102 102 ILE CA C 13 60.68870371 0 . . . . . . . 195 ILE CA . 51753 1 439 . 1 . 1 102 102 ILE CB C 13 37.68048331 0 . . . . . . . 195 ILE CB . 51753 1 440 . 1 . 1 102 102 ILE N N 15 115.6889203 0.009401487321 . . . . . . . 195 ILE N . 51753 1 441 . 1 . 1 103 103 ARG H H 1 8.726843627 0.0004020595869 . . . . . . . 196 ARG H . 51753 1 442 . 1 . 1 103 103 ARG C C 13 176.0216834 0 . . . . . . . 196 ARG C . 51753 1 443 . 1 . 1 103 103 ARG CA C 13 53.48568973 0 . . . . . . . 196 ARG CA . 51753 1 444 . 1 . 1 103 103 ARG CB C 13 34.08251202 0 . . . . . . . 196 ARG CB . 51753 1 445 . 1 . 1 103 103 ARG N N 15 121.9568339 0.02551124761 . . . . . . . 196 ARG N . 51753 1 446 . 1 . 1 104 104 VAL H H 1 7.206912635 0.0004862615453 . . . . . . . 197 VAL H . 51753 1 447 . 1 . 1 104 104 VAL C C 13 175.4807265 0 . . . . . . . 197 VAL C . 51753 1 448 . 1 . 1 104 104 VAL CA C 13 60.85052141 0 . . . . . . . 197 VAL CA . 51753 1 449 . 1 . 1 104 104 VAL CB C 13 33.33187308 0 . . . . . . . 197 VAL CB . 51753 1 450 . 1 . 1 104 104 VAL N N 15 117.7500658 0.01236577845 . . . . . . . 197 VAL N . 51753 1 451 . 1 . 1 105 105 GLU H H 1 8.528588606 0.0004568033402 . . . . . . . 198 GLU H . 51753 1 452 . 1 . 1 105 105 GLU C C 13 176.7683425 0 . . . . . . . 198 GLU C . 51753 1 453 . 1 . 1 105 105 GLU CA C 13 54.25735341 0 . . . . . . . 198 GLU CA . 51753 1 454 . 1 . 1 105 105 GLU CB C 13 30.91934315 0 . . . . . . . 198 GLU CB . 51753 1 455 . 1 . 1 105 105 GLU N N 15 128.9639176 0.01847392931 . . . . . . . 198 GLU N . 51753 1 456 . 1 . 1 106 106 GLY H H 1 8.640467311 0.001400432539 . . . . . . . 199 GLY H . 51753 1 457 . 1 . 1 106 106 GLY C C 13 174.0424497 0 . . . . . . . 199 GLY C . 51753 1 458 . 1 . 1 106 106 GLY CA C 13 46.19312096 0 . . . . . . . 199 GLY CA . 51753 1 459 . 1 . 1 106 106 GLY N N 15 110.8536052 0.00408276763 . . . . . . . 199 GLY N . 51753 1 460 . 1 . 1 107 107 ASN H H 1 8.096678633 0.001032104935 . . . . . . . 200 ASN H . 51753 1 461 . 1 . 1 107 107 ASN C C 13 175.6715652 0 . . . . . . . 200 ASN C . 51753 1 462 . 1 . 1 107 107 ASN CA C 13 52.16850239 0 . . . . . . . 200 ASN CA . 51753 1 463 . 1 . 1 107 107 ASN CB C 13 39.83573276 0 . . . . . . . 200 ASN CB . 51753 1 464 . 1 . 1 107 107 ASN N N 15 117.5024465 0.005011598186 . . . . . . . 200 ASN N . 51753 1 465 . 1 . 1 108 108 LEU H H 1 8.790839901 0.001536901044 . . . . . . . 201 LEU H . 51753 1 466 . 1 . 1 108 108 LEU C C 13 177.8288492 0 . . . . . . . 201 LEU C . 51753 1 467 . 1 . 1 108 108 LEU CB C 13 40.72050376 0 . . . . . . . 201 LEU CB . 51753 1 468 . 1 . 1 108 108 LEU N N 15 126.3896815 0.01209127309 . . . . . . . 201 LEU N . 51753 1 469 . 1 . 1 109 109 ARG H H 1 8.471965384 0.001312647509 . . . . . . . 202 ARG H . 51753 1 470 . 1 . 1 109 109 ARG C C 13 174.4038854 0 . . . . . . . 202 ARG C . 51753 1 471 . 1 . 1 109 109 ARG CA C 13 55.15388547 0 . . . . . . . 202 ARG CA . 51753 1 472 . 1 . 1 109 109 ARG CB C 13 28.33154511 0 . . . . . . . 202 ARG CB . 51753 1 473 . 1 . 1 109 109 ARG N N 15 119.0584805 0.008619041506 . . . . . . . 202 ARG N . 51753 1 474 . 1 . 1 110 110 VAL H H 1 6.759316747 0.00005162 . . . . . . . 203 VAL H . 51753 1 475 . 1 . 1 110 110 VAL C C 13 173.1654879 0 . . . . . . . 203 VAL C . 51753 1 476 . 1 . 1 110 110 VAL CA C 13 60.49167095 0 . . . . . . . 203 VAL CA . 51753 1 477 . 1 . 1 110 110 VAL CB C 13 32.17632153 0 . . . . . . . 203 VAL CB . 51753 1 478 . 1 . 1 110 110 VAL N N 15 118.3636614 0.0000013487 . . . . . . . 203 VAL N . 51753 1 479 . 1 . 1 111 111 GLU H H 1 8.615991342 0.00130103964 . . . . . . . 204 GLU H . 51753 1 480 . 1 . 1 111 111 GLU C C 13 173.8348123 0 . . . . . . . 204 GLU C . 51753 1 481 . 1 . 1 111 111 GLU CA C 13 54.73157312 0 . . . . . . . 204 GLU CA . 51753 1 482 . 1 . 1 111 111 GLU CB C 13 32.58587501 0 . . . . . . . 204 GLU CB . 51753 1 483 . 1 . 1 111 111 GLU N N 15 125.8473308 0.006841108509 . . . . . . . 204 GLU N . 51753 1 484 . 1 . 1 112 112 TYR H H 1 8.774019887 0.002896103845 . . . . . . . 205 TYR H . 51753 1 485 . 1 . 1 112 112 TYR C C 13 175.6406078 0 . . . . . . . 205 TYR C . 51753 1 486 . 1 . 1 112 112 TYR CA C 13 58.04555111 0 . . . . . . . 205 TYR CA . 51753 1 487 . 1 . 1 112 112 TYR CB C 13 38.66151613 0 . . . . . . . 205 TYR CB . 51753 1 488 . 1 . 1 112 112 TYR N N 15 123.2319865 0.002906868776 . . . . . . . 205 TYR N . 51753 1 489 . 1 . 1 113 113 LEU H H 1 9.241003995 0.00171813235 . . . . . . . 206 LEU H . 51753 1 490 . 1 . 1 113 113 LEU C C 13 175.0230665 0 . . . . . . . 206 LEU C . 51753 1 491 . 1 . 1 113 113 LEU CA C 13 53.94010901 0 . . . . . . . 206 LEU CA . 51753 1 492 . 1 . 1 113 113 LEU CB C 13 43.87078147 0 . . . . . . . 206 LEU CB . 51753 1 493 . 1 . 1 113 113 LEU N N 15 126.2063709 0.01225430692 . . . . . . . 206 LEU N . 51753 1 494 . 1 . 1 114 114 ASP H H 1 8.226853157 0.001590486472 . . . . . . . 207 ASP H . 51753 1 495 . 1 . 1 114 114 ASP C C 13 175.5135123 0 . . . . . . . 207 ASP C . 51753 1 496 . 1 . 1 114 114 ASP CA C 13 52.16629591 0 . . . . . . . 207 ASP CA . 51753 1 497 . 1 . 1 114 114 ASP CB C 13 41.39948475 0 . . . . . . . 207 ASP CB . 51753 1 498 . 1 . 1 114 114 ASP N N 15 121.4714478 0 . . . . . . . 207 ASP N . 51753 1 499 . 1 . 1 115 115 ASP H H 1 8.307617125 0.000612353011 . . . . . . . 208 ASP H . 51753 1 500 . 1 . 1 115 115 ASP C C 13 178.3807241 0 . . . . . . . 208 ASP C . 51753 1 501 . 1 . 1 115 115 ASP CA C 13 54.94426085 0 . . . . . . . 208 ASP CA . 51753 1 502 . 1 . 1 115 115 ASP CB C 13 43.18282867 0 . . . . . . . 208 ASP CB . 51753 1 503 . 1 . 1 115 115 ASP N N 15 124.2976925 0.02160265533 . . . . . . . 208 ASP N . 51753 1 504 . 1 . 1 116 116 ARG H H 1 8.909541656 0.002116018704 . . . . . . . 209 ARG H . 51753 1 505 . 1 . 1 116 116 ARG C C 13 175.2946016 0 . . . . . . . 209 ARG C . 51753 1 506 . 1 . 1 116 116 ARG CA C 13 57.58990581 0 . . . . . . . 209 ARG CA . 51753 1 507 . 1 . 1 116 116 ARG CB C 13 29.10865755 0 . . . . . . . 209 ARG CB . 51753 1 508 . 1 . 1 116 116 ARG N N 15 127.3709464 0.01294347012 . . . . . . . 209 ARG N . 51753 1 509 . 1 . 1 117 117 ASN H H 1 8.6072303 0.001307763826 . . . . . . . 210 ASN H . 51753 1 510 . 1 . 1 117 117 ASN C C 13 176.0007435 0 . . . . . . . 210 ASN C . 51753 1 511 . 1 . 1 117 117 ASN CA C 13 54.25276186 0 . . . . . . . 210 ASN CA . 51753 1 512 . 1 . 1 117 117 ASN CB C 13 39.72181887 0 . . . . . . . 210 ASN CB . 51753 1 513 . 1 . 1 117 117 ASN N N 15 114.6080596 0.004735719658 . . . . . . . 210 ASN N . 51753 1 514 . 1 . 1 118 118 THR H H 1 8.581242819 0.004636478056 . . . . . . . 211 THR H . 51753 1 515 . 1 . 1 118 118 THR C C 13 175.4868532 0 . . . . . . . 211 THR C . 51753 1 516 . 1 . 1 118 118 THR CA C 13 61.15108359 0 . . . . . . . 211 THR CA . 51753 1 517 . 1 . 1 118 118 THR CB C 13 70.38058994 0 . . . . . . . 211 THR CB . 51753 1 518 . 1 . 1 118 118 THR N N 15 109.2547813 0.01239204245 . . . . . . . 211 THR N . 51753 1 519 . 1 . 1 119 119 PHE H H 1 7.356810763 0.0000752289 . . . . . . . 212 PHE H . 51753 1 520 . 1 . 1 119 119 PHE C C 13 174.4883439 0 . . . . . . . 212 PHE C . 51753 1 521 . 1 . 1 119 119 PHE CA C 13 58.73886633 0 . . . . . . . 212 PHE CA . 51753 1 522 . 1 . 1 119 119 PHE CB C 13 35.43188833 0 . . . . . . . 212 PHE CB . 51753 1 523 . 1 . 1 119 119 PHE N N 15 114.2082276 0.004057195069 . . . . . . . 212 PHE N . 51753 1 524 . 1 . 1 120 120 ARG H H 1 7.410566024 0.000172623078 . . . . . . . 213 ARG H . 51753 1 525 . 1 . 1 120 120 ARG C C 13 176.4200347 0 . . . . . . . 213 ARG C . 51753 1 526 . 1 . 1 120 120 ARG CA C 13 56.47535741 0 . . . . . . . 213 ARG CA . 51753 1 527 . 1 . 1 120 120 ARG CB C 13 30.20297798 0 . . . . . . . 213 ARG CB . 51753 1 528 . 1 . 1 120 120 ARG N N 15 116.2958023 0 . . . . . . . 213 ARG N . 51753 1 529 . 1 . 1 121 121 HIS H H 1 7.848587257 0.005562032177 . . . . . . . 214 HIS H . 51753 1 530 . 1 . 1 121 121 HIS C C 13 176.8116446 0 . . . . . . . 214 HIS C . 51753 1 531 . 1 . 1 121 121 HIS CA C 13 52.73790112 0 . . . . . . . 214 HIS CA . 51753 1 532 . 1 . 1 121 121 HIS CB C 13 31.92035543 0 . . . . . . . 214 HIS CB . 51753 1 533 . 1 . 1 121 121 HIS N N 15 123.651604 0.000002336 . . . . . . . 214 HIS N . 51753 1 534 . 1 . 1 122 122 SER H H 1 9.301546109 0.002522519788 . . . . . . . 215 SER H . 51753 1 535 . 1 . 1 122 122 SER C C 13 171.2689932 0 . . . . . . . 215 SER C . 51753 1 536 . 1 . 1 122 122 SER CA C 13 58.69741842 0 . . . . . . . 215 SER CA . 51753 1 537 . 1 . 1 122 122 SER CB C 13 66.27806166 0 . . . . . . . 215 SER CB . 51753 1 538 . 1 . 1 122 122 SER N N 15 115.5686535 0.01244868342 . . . . . . . 215 SER N . 51753 1 539 . 1 . 1 123 123 VAL H H 1 8.361856668 0.0004699366729 . . . . . . . 216 VAL H . 51753 1 540 . 1 . 1 123 123 VAL C C 13 174.4986557 0 . . . . . . . 216 VAL C . 51753 1 541 . 1 . 1 123 123 VAL CA C 13 58.21283393 0 . . . . . . . 216 VAL CA . 51753 1 542 . 1 . 1 123 123 VAL CB C 13 32.74181766 0 . . . . . . . 216 VAL CB . 51753 1 543 . 1 . 1 123 123 VAL N N 15 116.4197849 0.01055142635 . . . . . . . 216 VAL N . 51753 1 544 . 1 . 1 124 124 VAL H H 1 9.11990072 0.001640275562 . . . . . . . 217 VAL H . 51753 1 545 . 1 . 1 124 124 VAL C C 13 174.7335858 0 . . . . . . . 217 VAL C . 51753 1 546 . 1 . 1 124 124 VAL CA C 13 59.31840655 0 . . . . . . . 217 VAL CA . 51753 1 547 . 1 . 1 124 124 VAL CB C 13 34.72093587 0 . . . . . . . 217 VAL CB . 51753 1 548 . 1 . 1 124 124 VAL N N 15 130.4824307 0.004444205811 . . . . . . . 217 VAL N . 51753 1 549 . 1 . 1 125 125 VAL H H 1 8.27298136 0.0006391056498 . . . . . . . 218 VAL H . 51753 1 550 . 1 . 1 125 125 VAL C C 13 172.9059393 0 . . . . . . . 218 VAL C . 51753 1 551 . 1 . 1 125 125 VAL CA C 13 56.96370434 0 . . . . . . . 218 VAL CA . 51753 1 552 . 1 . 1 125 125 VAL CB C 13 32.68115215 0 . . . . . . . 218 VAL CB . 51753 1 553 . 1 . 1 125 125 VAL N N 15 117.1813988 0.01947995646 . . . . . . . 218 VAL N . 51753 1 554 . 1 . 1 126 126 PRO C C 13 177.5372009 0 . . . . . . . 219 PRO C . 51753 1 555 . 1 . 1 126 126 PRO CA C 13 62.45963851 0 . . . . . . . 219 PRO CA . 51753 1 556 . 1 . 1 126 126 PRO CB C 13 30.81965596 0 . . . . . . . 219 PRO CB . 51753 1 557 . 1 . 1 127 127 TYR H H 1 8.518689437 0.002179838437 . . . . . . . 220 TYR H . 51753 1 558 . 1 . 1 127 127 TYR CA C 13 59.0864994 0 . . . . . . . 220 TYR CA . 51753 1 559 . 1 . 1 127 127 TYR CB C 13 37.48965216 0 . . . . . . . 220 TYR CB . 51753 1 560 . 1 . 1 127 127 TYR N N 15 123.706077 0.02268703097 . . . . . . . 220 TYR N . 51753 1 561 . 1 . 1 128 128 GLU H H 1 7.092789509 0.001143070079 . . . . . . . 221 GLU H . 51753 1 562 . 1 . 1 128 128 GLU C C 13 172.6022289 1.424892799 . . . . . . . 221 GLU C . 51753 1 563 . 1 . 1 128 128 GLU CA C 13 51.71032093 0 . . . . . . . 221 GLU CA . 51753 1 564 . 1 . 1 128 128 GLU CB C 13 30.17987131 0 . . . . . . . 221 GLU CB . 51753 1 565 . 1 . 1 128 128 GLU N N 15 131.2303671 0.004501384395 . . . . . . . 221 GLU N . 51753 1 566 . 1 . 1 130 130 PRO C C 13 177.0184601 0 . . . . . . . 223 PRO C . 51753 1 567 . 1 . 1 130 130 PRO CA C 13 62.33069053 0 . . . . . . . 223 PRO CA . 51753 1 568 . 1 . 1 130 130 PRO CB C 13 31.20392461 0 . . . . . . . 223 PRO CB . 51753 1 569 . 1 . 1 131 131 GLU H H 1 8.292605906 0.000823694432 . . . . . . . 224 GLU H . 51753 1 570 . 1 . 1 131 131 GLU C C 13 176.2136189 0 . . . . . . . 224 GLU C . 51753 1 571 . 1 . 1 131 131 GLU CA C 13 55.34321027 0 . . . . . . . 224 GLU CA . 51753 1 572 . 1 . 1 131 131 GLU CB C 13 29.42114042 0 . . . . . . . 224 GLU CB . 51753 1 573 . 1 . 1 131 131 GLU N N 15 122.8171852 0.005790090182 . . . . . . . 224 GLU N . 51753 1 574 . 1 . 1 132 132 VAL H H 1 8.210144623 0.0003368346179 . . . . . . . 225 VAL H . 51753 1 575 . 1 . 1 132 132 VAL C C 13 177.8509822 0 . . . . . . . 225 VAL C . 51753 1 576 . 1 . 1 132 132 VAL CA C 13 64.47681506 0 . . . . . . . 225 VAL CA . 51753 1 577 . 1 . 1 132 132 VAL CB C 13 30.47642201 0 . . . . . . . 225 VAL CB . 51753 1 578 . 1 . 1 132 132 VAL N N 15 121.5432681 0.004002605076 . . . . . . . 225 VAL N . 51753 1 579 . 1 . 1 133 133 GLY H H 1 8.755556296 0.0008104865488 . . . . . . . 226 GLY H . 51753 1 580 . 1 . 1 133 133 GLY C C 13 174.0668471 0 . . . . . . . 226 GLY C . 51753 1 581 . 1 . 1 133 133 GLY CA C 13 44.6394253 0 . . . . . . . 226 GLY CA . 51753 1 582 . 1 . 1 133 133 GLY N N 15 116.1428023 0.005719328871 . . . . . . . 226 GLY N . 51753 1 583 . 1 . 1 134 134 SER H H 1 8.212161956 0.001084363351 . . . . . . . 227 SER H . 51753 1 584 . 1 . 1 134 134 SER C C 13 173.1482649 0 . . . . . . . 227 SER C . 51753 1 585 . 1 . 1 134 134 SER CA C 13 56.75731996 0 . . . . . . . 227 SER CA . 51753 1 586 . 1 . 1 134 134 SER CB C 13 64.59619031 0 . . . . . . . 227 SER CB . 51753 1 587 . 1 . 1 134 134 SER N N 15 116.5297334 0.00677516076 . . . . . . . 227 SER N . 51753 1 588 . 1 . 1 135 135 ASP H H 1 8.389985886 0.001365896133 . . . . . . . 228 ASP H . 51753 1 589 . 1 . 1 135 135 ASP C C 13 174.3335822 0 . . . . . . . 228 ASP C . 51753 1 590 . 1 . 1 135 135 ASP CA C 13 53.93091791 0 . . . . . . . 228 ASP CA . 51753 1 591 . 1 . 1 135 135 ASP CB C 13 42.32820063 0 . . . . . . . 228 ASP CB . 51753 1 592 . 1 . 1 135 135 ASP N N 15 120.1845837 0.01533656665 . . . . . . . 228 ASP N . 51753 1 593 . 1 . 1 136 136 CYS H H 1 7.404604605 0.0007345230921 . . . . . . . 229 CYS H . 51753 1 594 . 1 . 1 136 136 CYS C C 13 171.8899833 0 . . . . . . . 229 CYS C . 51753 1 595 . 1 . 1 136 136 CYS CA C 13 54.56909089 0 . . . . . . . 229 CYS CA . 51753 1 596 . 1 . 1 136 136 CYS CB C 13 27.87055325 0 . . . . . . . 229 CYS CB . 51753 1 597 . 1 . 1 136 136 CYS N N 15 112.4415782 0.009440834627 . . . . . . . 229 CYS N . 51753 1 598 . 1 . 1 137 137 THR H H 1 7.702633373 0.001133017366 . . . . . . . 230 THR H . 51753 1 599 . 1 . 1 137 137 THR C C 13 173.0742818 0 . . . . . . . 230 THR C . 51753 1 600 . 1 . 1 137 137 THR CA C 13 61.86125903 0 . . . . . . . 230 THR CA . 51753 1 601 . 1 . 1 137 137 THR CB C 13 70.11979697 0 . . . . . . . 230 THR CB . 51753 1 602 . 1 . 1 137 137 THR N N 15 119.643651 0.01273786467 . . . . . . . 230 THR N . 51753 1 603 . 1 . 1 138 138 THR H H 1 8.667934295 0.001757071723 . . . . . . . 231 THR H . 51753 1 604 . 1 . 1 138 138 THR C C 13 173.2106781 0 . . . . . . . 231 THR C . 51753 1 605 . 1 . 1 138 138 THR CA C 13 62.14918169 0 . . . . . . . 231 THR CA . 51753 1 606 . 1 . 1 138 138 THR CB C 13 69.20294914 0 . . . . . . . 231 THR CB . 51753 1 607 . 1 . 1 138 138 THR N N 15 124.1892374 0.002019165243 . . . . . . . 231 THR N . 51753 1 608 . 1 . 1 139 139 ILE H H 1 8.983661262 0.002393593398 . . . . . . . 232 ILE H . 51753 1 609 . 1 . 1 139 139 ILE C C 13 173.1836175 0 . . . . . . . 232 ILE C . 51753 1 610 . 1 . 1 139 139 ILE CA C 13 59.52975106 0 . . . . . . . 232 ILE CA . 51753 1 611 . 1 . 1 139 139 ILE CB C 13 39.14242569 0 . . . . . . . 232 ILE CB . 51753 1 612 . 1 . 1 139 139 ILE N N 15 129.6169373 0.001716563966 . . . . . . . 232 ILE N . 51753 1 613 . 1 . 1 140 140 HIS H H 1 8.320010028 0.001462218293 . . . . . . . 233 HIS H . 51753 1 614 . 1 . 1 140 140 HIS C C 13 173.4359822 0 . . . . . . . 233 HIS C . 51753 1 615 . 1 . 1 140 140 HIS CA C 13 53.67381571 0 . . . . . . . 233 HIS CA . 51753 1 616 . 1 . 1 140 140 HIS CB C 13 30.11867751 0 . . . . . . . 233 HIS CB . 51753 1 617 . 1 . 1 140 140 HIS N N 15 124.9965361 0.0007583000265 . . . . . . . 233 HIS N . 51753 1 618 . 1 . 1 141 141 TYR H H 1 8.281155737 0 . . . . . . . 234 TYR H . 51753 1 619 . 1 . 1 141 141 TYR C C 13 176.4239544 0 . . . . . . . 234 TYR C . 51753 1 620 . 1 . 1 141 141 TYR CA C 13 57.59879386 0 . . . . . . . 234 TYR CA . 51753 1 621 . 1 . 1 141 141 TYR CB C 13 40.76057807 0 . . . . . . . 234 TYR CB . 51753 1 622 . 1 . 1 141 141 TYR N N 15 123.0007432 0 . . . . . . . 234 TYR N . 51753 1 623 . 1 . 1 142 142 ASN H H 1 8.944372921 0 . . . . . . . 235 ASN H . 51753 1 624 . 1 . 1 142 142 ASN C C 13 172.1314881 0 . . . . . . . 235 ASN C . 51753 1 625 . 1 . 1 142 142 ASN CA C 13 52.01718319 0 . . . . . . . 235 ASN CA . 51753 1 626 . 1 . 1 142 142 ASN CB C 13 43.93911413 0 . . . . . . . 235 ASN CB . 51753 1 627 . 1 . 1 142 142 ASN N N 15 117.5676717 0 . . . . . . . 235 ASN N . 51753 1 628 . 1 . 1 143 143 TYR H H 1 9.958862586 0.002736617506 . . . . . . . 236 TYR H . 51753 1 629 . 1 . 1 143 143 TYR C C 13 178.4279457 0 . . . . . . . 236 TYR C . 51753 1 630 . 1 . 1 143 143 TYR CA C 13 57.89712276 0 . . . . . . . 236 TYR CA . 51753 1 631 . 1 . 1 143 143 TYR CB C 13 40.7521245 0 . . . . . . . 236 TYR CB . 51753 1 632 . 1 . 1 143 143 TYR N N 15 121.7496921 0.01530303334 . . . . . . . 236 TYR N . 51753 1 633 . 1 . 1 144 144 MET H H 1 8.50645358 0.001731495065 . . . . . . . 237 MET H . 51753 1 634 . 1 . 1 144 144 MET C C 13 175.0697922 0 . . . . . . . 237 MET C . 51753 1 635 . 1 . 1 144 144 MET CA C 13 53.75084238 0 . . . . . . . 237 MET CA . 51753 1 636 . 1 . 1 144 144 MET CB C 13 28.48371368 0 . . . . . . . 237 MET CB . 51753 1 637 . 1 . 1 144 144 MET N N 15 116.9071183 0.02817922486 . . . . . . . 237 MET N . 51753 1 638 . 1 . 1 145 145 CYS H H 1 7.209439044 0.0006311966799 . . . . . . . 238 CYS H . 51753 1 639 . 1 . 1 145 145 CYS C C 13 173.5572265 0 . . . . . . . 238 CYS C . 51753 1 640 . 1 . 1 145 145 CYS CA C 13 60.80323868 0 . . . . . . . 238 CYS CA . 51753 1 641 . 1 . 1 145 145 CYS CB C 13 34.44383836 0 . . . . . . . 238 CYS CB . 51753 1 642 . 1 . 1 145 145 CYS N N 15 120.3036143 0.01748222178 . . . . . . . 238 CYS N . 51753 1 643 . 1 . 1 146 146 ASN H H 1 8.349517635 0.002519911217 . . . . . . . 239 ASN H . 51753 1 644 . 1 . 1 146 146 ASN C C 13 177.7470331 0 . . . . . . . 239 ASN C . 51753 1 645 . 1 . 1 146 146 ASN CA C 13 53.47440212 0 . . . . . . . 239 ASN CA . 51753 1 646 . 1 . 1 146 146 ASN CB C 13 39.74165888 0 . . . . . . . 239 ASN CB . 51753 1 647 . 1 . 1 146 146 ASN N N 15 118.2954113 0.0294930264 . . . . . . . 239 ASN N . 51753 1 648 . 1 . 1 147 147 SER H H 1 9.482891417 0.001341378057 . . . . . . . 240 SER H . 51753 1 649 . 1 . 1 147 147 SER CA C 13 63.85282246 0 . . . . . . . 240 SER CA . 51753 1 650 . 1 . 1 147 147 SER CB C 13 62.80511921 0 . . . . . . . 240 SER CB . 51753 1 651 . 1 . 1 147 147 SER N N 15 120.1818312 0.0113926123 . . . . . . . 240 SER N . 51753 1 652 . 1 . 1 148 148 SER H H 1 8.015177309 0.0005965306461 . . . . . . . 241 SER H . 51753 1 653 . 1 . 1 148 148 SER C C 13 175.4399818 0 . . . . . . . 241 SER C . 51753 1 654 . 1 . 1 148 148 SER CA C 13 58.01780008 0 . . . . . . . 241 SER CA . 51753 1 655 . 1 . 1 148 148 SER CB C 13 63.3586538 0 . . . . . . . 241 SER CB . 51753 1 656 . 1 . 1 148 148 SER N N 15 109.5454892 0.01056044811 . . . . . . . 241 SER N . 51753 1 657 . 1 . 1 149 149 CYS H H 1 7.682810526 0.0005401261618 . . . . . . . 242 CYS H . 51753 1 658 . 1 . 1 149 149 CYS C C 13 178.1500826 0 . . . . . . . 242 CYS C . 51753 1 659 . 1 . 1 149 149 CYS CA C 13 64.33094314 0 . . . . . . . 242 CYS CA . 51753 1 660 . 1 . 1 149 149 CYS CB C 13 29.12618587 0 . . . . . . . 242 CYS CB . 51753 1 661 . 1 . 1 149 149 CYS N N 15 122.2015106 0.01119382402 . . . . . . . 242 CYS N . 51753 1 662 . 1 . 1 150 150 MET H H 1 8.948937969 0 . . . . . . . 243 MET H . 51753 1 663 . 1 . 1 150 150 MET C C 13 177.6115862 0 . . . . . . . 243 MET C . 51753 1 664 . 1 . 1 150 150 MET N N 15 129.6130582 0 . . . . . . . 243 MET N . 51753 1 665 . 1 . 1 151 151 GLY C C 13 173.7005513 0 . . . . . . . 244 GLY C . 51753 1 666 . 1 . 1 151 151 GLY CA C 13 45.01142608 0 . . . . . . . 244 GLY CA . 51753 1 667 . 1 . 1 152 152 GLY H H 1 7.245843881 0.0008370920748 . . . . . . . 245 GLY H . 51753 1 668 . 1 . 1 152 152 GLY C C 13 174.554457 0 . . . . . . . 245 GLY C . 51753 1 669 . 1 . 1 152 152 GLY CA C 13 43.57373798 0 . . . . . . . 245 GLY CA . 51753 1 670 . 1 . 1 152 152 GLY N N 15 108.7574997 0.006284038756 . . . . . . . 245 GLY N . 51753 1 671 . 1 . 1 153 153 MET CA C 13 59.33256218 0 . . . . . . . 246 MET CA . 51753 1 672 . 1 . 1 153 153 MET CB C 13 33.58719813 0 . . . . . . . 246 MET CB . 51753 1 673 . 1 . 1 154 154 ASN H H 1 8.512118243 0.0001649200527 . . . . . . . 247 ASN H . 51753 1 674 . 1 . 1 154 154 ASN C C 13 173.6811431 0 . . . . . . . 247 ASN C . 51753 1 675 . 1 . 1 154 154 ASN CA C 13 54.55572237 0 . . . . . . . 247 ASN CA . 51753 1 676 . 1 . 1 154 154 ASN CB C 13 36.84176623 0 . . . . . . . 247 ASN CB . 51753 1 677 . 1 . 1 154 154 ASN N N 15 118.1099489 0.02068943044 . . . . . . . 247 ASN N . 51753 1 678 . 1 . 1 155 155 ARG H H 1 9.196089576 0.0001803287083 . . . . . . . 248 ARG H . 51753 1 679 . 1 . 1 155 155 ARG C C 13 176.1406679 0 . . . . . . . 248 ARG C . 51753 1 680 . 1 . 1 155 155 ARG CA C 13 57.70120925 0 . . . . . . . 248 ARG CA . 51753 1 681 . 1 . 1 155 155 ARG CB C 13 26.460324 0 . . . . . . . 248 ARG CB . 51753 1 682 . 1 . 1 155 155 ARG N N 15 107.9044499 0.0000013487 . . . . . . . 248 ARG N . 51753 1 683 . 1 . 1 156 156 ARG H H 1 7.739891279 0.0006832267056 . . . . . . . 249 ARG H . 51753 1 684 . 1 . 1 156 156 ARG C C 13 174.8425093 0 . . . . . . . 249 ARG C . 51753 1 685 . 1 . 1 156 156 ARG CA C 13 53.67048655 0 . . . . . . . 249 ARG CA . 51753 1 686 . 1 . 1 156 156 ARG CB C 13 30.36455664 0 . . . . . . . 249 ARG CB . 51753 1 687 . 1 . 1 156 156 ARG N N 15 123.5381131 0.0242941206 . . . . . . . 249 ARG N . 51753 1 688 . 1 . 1 157 157 PRO C C 13 177.634344 0 . . . . . . . 250 PRO C . 51753 1 689 . 1 . 1 157 157 PRO CA C 13 62.5297776 0 . . . . . . . 250 PRO CA . 51753 1 690 . 1 . 1 157 157 PRO CB C 13 32.86027672 0 . . . . . . . 250 PRO CB . 51753 1 691 . 1 . 1 158 158 ILE H H 1 7.022368619 0.001232208723 . . . . . . . 251 ILE H . 51753 1 692 . 1 . 1 158 158 ILE C C 13 174.6882255 0 . . . . . . . 251 ILE C . 51753 1 693 . 1 . 1 158 158 ILE CA C 13 58.69835449 0 . . . . . . . 251 ILE CA . 51753 1 694 . 1 . 1 158 158 ILE CB C 13 42.56013074 0 . . . . . . . 251 ILE CB . 51753 1 695 . 1 . 1 158 158 ILE N N 15 112.367301 0.002510919254 . . . . . . . 251 ILE N . 51753 1 696 . 1 . 1 159 159 LEU H H 1 9.151449417 0.0001938097796 . . . . . . . 252 LEU H . 51753 1 697 . 1 . 1 159 159 LEU C C 13 178.3578519 0 . . . . . . . 252 LEU C . 51753 1 698 . 1 . 1 159 159 LEU CA C 13 52.77337087 0 . . . . . . . 252 LEU CA . 51753 1 699 . 1 . 1 159 159 LEU CB C 13 43.94138215 0 . . . . . . . 252 LEU CB . 51753 1 700 . 1 . 1 159 159 LEU N N 15 118.3112825 0.02736926013 . . . . . . . 252 LEU N . 51753 1 701 . 1 . 1 160 160 THR H H 1 8.791781812 0.002206086771 . . . . . . . 253 THR H . 51753 1 702 . 1 . 1 160 160 THR C C 13 171.5571502 0 . . . . . . . 253 THR C . 51753 1 703 . 1 . 1 160 160 THR CA C 13 62.0764034 0 . . . . . . . 253 THR CA . 51753 1 704 . 1 . 1 160 160 THR CB C 13 69.35266169 0 . . . . . . . 253 THR CB . 51753 1 705 . 1 . 1 160 160 THR N N 15 114.3065356 0.03320354119 . . . . . . . 253 THR N . 51753 1 706 . 1 . 1 161 161 ILE H H 1 9.234014902 0 . . . . . . . 254 ILE H . 51753 1 707 . 1 . 1 161 161 ILE C C 13 176.0955791 0 . . . . . . . 254 ILE C . 51753 1 708 . 1 . 1 161 161 ILE CA C 13 59.84341222 0 . . . . . . . 254 ILE CA . 51753 1 709 . 1 . 1 161 161 ILE CB C 13 38.27198019 0 . . . . . . . 254 ILE CB . 51753 1 710 . 1 . 1 161 161 ILE N N 15 126.9311084 0 . . . . . . . 254 ILE N . 51753 1 711 . 1 . 1 162 162 ILE H H 1 9.099576709 0 . . . . . . . 255 ILE H . 51753 1 712 . 1 . 1 162 162 ILE C C 13 176.1122277 0 . . . . . . . 255 ILE C . 51753 1 713 . 1 . 1 162 162 ILE CA C 13 58.05948723 0 . . . . . . . 255 ILE CA . 51753 1 714 . 1 . 1 162 162 ILE CB C 13 37.26214624 0 . . . . . . . 255 ILE CB . 51753 1 715 . 1 . 1 162 162 ILE N N 15 130.0027245 0 . . . . . . . 255 ILE N . 51753 1 716 . 1 . 1 163 163 THR H H 1 9.495783426 0.000000168587 . . . . . . . 256 THR H . 51753 1 717 . 1 . 1 163 163 THR C C 13 172.9635364 0 . . . . . . . 256 THR C . 51753 1 718 . 1 . 1 163 163 THR CA C 13 58.00772892 0 . . . . . . . 256 THR CA . 51753 1 719 . 1 . 1 163 163 THR CB C 13 69.52841337 0 . . . . . . . 256 THR CB . 51753 1 720 . 1 . 1 163 163 THR N N 15 116.9813361 0.0000019073 . . . . . . . 256 THR N . 51753 1 721 . 1 . 1 164 164 LEU H H 1 8.01560534 0.00105582346 . . . . . . . 257 LEU H . 51753 1 722 . 1 . 1 164 164 LEU C C 13 176.1347367 0 . . . . . . . 257 LEU C . 51753 1 723 . 1 . 1 164 164 LEU CB C 13 42.83578852 0 . . . . . . . 257 LEU CB . 51753 1 724 . 1 . 1 164 164 LEU N N 15 123.6232762 0.0000019073 . . . . . . . 257 LEU N . 51753 1 725 . 1 . 1 165 165 GLU H H 1 9.099575138 0.001711168257 . . . . . . . 258 GLU H . 51753 1 726 . 1 . 1 165 165 GLU C C 13 175.3435342 0 . . . . . . . 258 GLU C . 51753 1 727 . 1 . 1 165 165 GLU CA C 13 53.525852 0 . . . . . . . 258 GLU CA . 51753 1 728 . 1 . 1 165 165 GLU CB C 13 33.90729366 0 . . . . . . . 258 GLU CB . 51753 1 729 . 1 . 1 165 165 GLU N N 15 125.4867035 0 . . . . . . . 258 GLU N . 51753 1 730 . 1 . 1 166 166 ASP H H 1 8.336739131 0.001311779082 . . . . . . . 259 ASP H . 51753 1 731 . 1 . 1 166 166 ASP C C 13 177.9193128 0 . . . . . . . 259 ASP C . 51753 1 732 . 1 . 1 166 166 ASP CA C 13 52.3079468 0 . . . . . . . 259 ASP CA . 51753 1 733 . 1 . 1 166 166 ASP CB C 13 40.7135197 0 . . . . . . . 259 ASP CB . 51753 1 734 . 1 . 1 166 166 ASP N N 15 119.6598718 0.004475548758 . . . . . . . 259 ASP N . 51753 1 735 . 1 . 1 167 167 SER H H 1 8.523870866 0.001264266751 . . . . . . . 260 SER H . 51753 1 736 . 1 . 1 167 167 SER C C 13 175.5843077 0 . . . . . . . 260 SER C . 51753 1 737 . 1 . 1 167 167 SER CA C 13 60.90594496 0 . . . . . . . 260 SER CA . 51753 1 738 . 1 . 1 167 167 SER CB C 13 62.81809508 0 . . . . . . . 260 SER CB . 51753 1 739 . 1 . 1 167 167 SER N N 15 113.2125663 0.02239570181 . . . . . . . 260 SER N . 51753 1 740 . 1 . 1 168 168 SER H H 1 7.996537094 0.0009740841435 . . . . . . . 261 SER H . 51753 1 741 . 1 . 1 168 168 SER C C 13 174.1201856 0 . . . . . . . 261 SER C . 51753 1 742 . 1 . 1 168 168 SER CA C 13 58.10417769 0 . . . . . . . 261 SER CA . 51753 1 743 . 1 . 1 168 168 SER CB C 13 63.75635525 0 . . . . . . . 261 SER CB . 51753 1 744 . 1 . 1 168 168 SER N N 15 117.1318187 0.0005733732369 . . . . . . . 261 SER N . 51753 1 745 . 1 . 1 169 169 GLY H H 1 7.956484612 0 . . . . . . . 262 GLY H . 51753 1 746 . 1 . 1 169 169 GLY C C 13 174.6165301 0 . . . . . . . 262 GLY C . 51753 1 747 . 1 . 1 169 169 GLY CA C 13 44.49916751 0 . . . . . . . 262 GLY CA . 51753 1 748 . 1 . 1 169 169 GLY N N 15 109.2241708 0 . . . . . . . 262 GLY N . 51753 1 749 . 1 . 1 170 170 ASN H H 1 8.615755621 0.001085381643 . . . . . . . 263 ASN H . 51753 1 750 . 1 . 1 170 170 ASN C C 13 175.2668427 0 . . . . . . . 263 ASN C . 51753 1 751 . 1 . 1 170 170 ASN CA C 13 53.2717419 0 . . . . . . . 263 ASN CA . 51753 1 752 . 1 . 1 170 170 ASN CB C 13 37.58001864 0 . . . . . . . 263 ASN CB . 51753 1 753 . 1 . 1 170 170 ASN N N 15 120.7906029 0.005662935115 . . . . . . . 263 ASN N . 51753 1 754 . 1 . 1 171 171 LEU H H 1 8.521235034 0.000379411689 . . . . . . . 264 LEU H . 51753 1 755 . 1 . 1 171 171 LEU C C 13 176.8937043 0 . . . . . . . 264 LEU C . 51753 1 756 . 1 . 1 171 171 LEU CA C 13 56.14478241 0 . . . . . . . 264 LEU CA . 51753 1 757 . 1 . 1 171 171 LEU CB C 13 41.49945568 0 . . . . . . . 264 LEU CB . 51753 1 758 . 1 . 1 171 171 LEU N N 15 123.6542701 0.01597733939 . . . . . . . 264 LEU N . 51753 1 759 . 1 . 1 172 172 LEU H H 1 9.505973466 0.001110764008 . . . . . . . 265 LEU H . 51753 1 760 . 1 . 1 172 172 LEU C C 13 178.2911864 0 . . . . . . . 265 LEU C . 51753 1 761 . 1 . 1 172 172 LEU CA C 13 54.33271745 0 . . . . . . . 265 LEU CA . 51753 1 762 . 1 . 1 172 172 LEU CB C 13 42.66478502 0 . . . . . . . 265 LEU CB . 51753 1 763 . 1 . 1 172 172 LEU N N 15 124.121238 0.03295631619 . . . . . . . 265 LEU N . 51753 1 764 . 1 . 1 173 173 GLY H H 1 7.80515757 0.0009996281559 . . . . . . . 266 GLY H . 51753 1 765 . 1 . 1 173 173 GLY C C 13 170.7807798 0 . . . . . . . 266 GLY C . 51753 1 766 . 1 . 1 173 173 GLY CA C 13 45.55508478 0 . . . . . . . 266 GLY CA . 51753 1 767 . 1 . 1 173 173 GLY N N 15 106.4659661 0.02365613961 . . . . . . . 266 GLY N . 51753 1 768 . 1 . 1 174 174 ARG H H 1 10.03878439 0.002373458293 . . . . . . . 267 ARG H . 51753 1 769 . 1 . 1 174 174 ARG C C 13 174.3258621 0 . . . . . . . 267 ARG C . 51753 1 770 . 1 . 1 174 174 ARG CA C 13 56.35988877 0 . . . . . . . 267 ARG CA . 51753 1 771 . 1 . 1 174 174 ARG CB C 13 34.19295809 0 . . . . . . . 267 ARG CB . 51753 1 772 . 1 . 1 174 174 ARG N N 15 124.8806122 0.02466124915 . . . . . . . 267 ARG N . 51753 1 773 . 1 . 1 175 175 ASN H H 1 9.5102398 0.001247444614 . . . . . . . 268 ASN H . 51753 1 774 . 1 . 1 175 175 ASN C C 13 172.357405 0 . . . . . . . 268 ASN C . 51753 1 775 . 1 . 1 175 175 ASN CA C 13 52.98293341 0 . . . . . . . 268 ASN CA . 51753 1 776 . 1 . 1 175 175 ASN CB C 13 44.52083441 0 . . . . . . . 268 ASN CB . 51753 1 777 . 1 . 1 175 175 ASN N N 15 126.9387344 0.01765501915 . . . . . . . 268 ASN N . 51753 1 778 . 1 . 1 176 176 SER H H 1 9.266537028 0.0002379418017 . . . . . . . 269 SER H . 51753 1 779 . 1 . 1 176 176 SER C C 13 172.8266557 0 . . . . . . . 269 SER C . 51753 1 780 . 1 . 1 176 176 SER CA C 13 57.59770494 0 . . . . . . . 269 SER CA . 51753 1 781 . 1 . 1 176 176 SER CB C 13 66.79716009 0 . . . . . . . 269 SER CB . 51753 1 782 . 1 . 1 176 176 SER N N 15 113.8033122 0.01367370227 . . . . . . . 269 SER N . 51753 1 783 . 1 . 1 177 177 PHE H H 1 8.027524965 0.0006155371983 . . . . . . . 270 PHE H . 51753 1 784 . 1 . 1 177 177 PHE C C 13 172.9781487 0 . . . . . . . 270 PHE C . 51753 1 785 . 1 . 1 177 177 PHE CA C 13 56.11974294 0 . . . . . . . 270 PHE CA . 51753 1 786 . 1 . 1 177 177 PHE CB C 13 39.48419381 0 . . . . . . . 270 PHE CB . 51753 1 787 . 1 . 1 177 177 PHE N N 15 113.7581895 0.01131710544 . . . . . . . 270 PHE N . 51753 1 788 . 1 . 1 178 178 GLU H H 1 8.506844243 0.0004639543462 . . . . . . . 271 GLU H . 51753 1 789 . 1 . 1 178 178 GLU C C 13 174.8168648 0 . . . . . . . 271 GLU C . 51753 1 790 . 1 . 1 178 178 GLU CA C 13 55.37345873 0 . . . . . . . 271 GLU CA . 51753 1 791 . 1 . 1 178 178 GLU CB C 13 29.48007346 0 . . . . . . . 271 GLU CB . 51753 1 792 . 1 . 1 178 178 GLU N N 15 123.3994794 0 . . . . . . . 271 GLU N . 51753 1 793 . 1 . 1 179 179 VAL H H 1 7.918841311 0.0008835482973 . . . . . . . 272 VAL H . 51753 1 794 . 1 . 1 179 179 VAL C C 13 174.4747831 0 . . . . . . . 272 VAL C . 51753 1 795 . 1 . 1 179 179 VAL CA C 13 60.28352956 0 . . . . . . . 272 VAL CA . 51753 1 796 . 1 . 1 179 179 VAL CB C 13 34.82604615 0 . . . . . . . 272 VAL CB . 51753 1 797 . 1 . 1 179 179 VAL N N 15 123.3506217 0.002505429667 . . . . . . . 272 VAL N . 51753 1 798 . 1 . 1 180 180 ARG H H 1 8.43918441 0.001643802764 . . . . . . . 273 ARG H . 51753 1 799 . 1 . 1 180 180 ARG C C 13 173.1517332 0 . . . . . . . 273 ARG C . 51753 1 800 . 1 . 1 180 180 ARG CA C 13 54.72001729 0 . . . . . . . 273 ARG CA . 51753 1 801 . 1 . 1 180 180 ARG CB C 13 32.91870702 0 . . . . . . . 273 ARG CB . 51753 1 802 . 1 . 1 180 180 ARG N N 15 127.7134489 0.01885641511 . . . . . . . 273 ARG N . 51753 1 803 . 1 . 1 181 181 VAL H H 1 8.46161733 0.002704693395 . . . . . . . 274 VAL H . 51753 1 804 . 1 . 1 181 181 VAL C C 13 177.6668693 0 . . . . . . . 274 VAL C . 51753 1 805 . 1 . 1 181 181 VAL CA C 13 59.79110924 0 . . . . . . . 274 VAL CA . 51753 1 806 . 1 . 1 181 181 VAL CB C 13 30.97234252 0 . . . . . . . 274 VAL CB . 51753 1 807 . 1 . 1 181 181 VAL N N 15 130.0113381 0.004755640965 . . . . . . . 274 VAL N . 51753 1 808 . 1 . 1 182 182 CYS H H 1 9.851561507 0.0005071681154 . . . . . . . 275 CYS H . 51753 1 809 . 1 . 1 182 182 CYS C C 13 172.9608334 0 . . . . . . . 275 CYS C . 51753 1 810 . 1 . 1 182 182 CYS CA C 13 55.03795582 0 . . . . . . . 275 CYS CA . 51753 1 811 . 1 . 1 182 182 CYS N N 15 124.3534422 0.003700679332 . . . . . . . 275 CYS N . 51753 1 812 . 1 . 1 183 183 ALA H H 1 8.451276361 0 . . . . . . . 276 ALA H . 51753 1 813 . 1 . 1 183 183 ALA C C 13 179.2391781 0 . . . . . . . 276 ALA C . 51753 1 814 . 1 . 1 183 183 ALA CA C 13 54.59575373 0 . . . . . . . 276 ALA CA . 51753 1 815 . 1 . 1 183 183 ALA CB C 13 18.80755551 0 . . . . . . . 276 ALA CB . 51753 1 816 . 1 . 1 183 183 ALA N N 15 122.8745805 0 . . . . . . . 276 ALA N . 51753 1 817 . 1 . 1 184 184 CYS H H 1 8.635538771 0.001567381346 . . . . . . . 277 CYS H . 51753 1 818 . 1 . 1 184 184 CYS C C 13 171.6746766 0 . . . . . . . 277 CYS C . 51753 1 819 . 1 . 1 184 184 CYS CA C 13 54.87892503 0 . . . . . . . 277 CYS CA . 51753 1 820 . 1 . 1 184 184 CYS CB C 13 27.39288846 0 . . . . . . . 277 CYS CB . 51753 1 821 . 1 . 1 184 184 CYS N N 15 116.1068188 0.004293709098 . . . . . . . 277 CYS N . 51753 1 822 . 1 . 1 185 185 PRO C C 13 177.1958101 0 . . . . . . . 278 PRO C . 51753 1 823 . 1 . 1 185 185 PRO CA C 13 66.09822435 0 . . . . . . . 278 PRO CA . 51753 1 824 . 1 . 1 185 185 PRO CB C 13 31.92783935 0 . . . . . . . 278 PRO CB . 51753 1 825 . 1 . 1 186 186 GLY H H 1 8.801088517 0.0003944697535 . . . . . . . 279 GLY H . 51753 1 826 . 1 . 1 186 186 GLY C C 13 175.6315305 0 . . . . . . . 279 GLY C . 51753 1 827 . 1 . 1 186 186 GLY CA C 13 46.73775265 0 . . . . . . . 279 GLY CA . 51753 1 828 . 1 . 1 186 186 GLY N N 15 104.7013697 0.006986194955 . . . . . . . 279 GLY N . 51753 1 829 . 1 . 1 187 187 ARG H H 1 7.141075468 0.0004227180065 . . . . . . . 280 ARG H . 51753 1 830 . 1 . 1 187 187 ARG C C 13 178.6783056 0 . . . . . . . 280 ARG C . 51753 1 831 . 1 . 1 187 187 ARG CA C 13 58.36346968 0 . . . . . . . 280 ARG CA . 51753 1 832 . 1 . 1 187 187 ARG CB C 13 29.43710311 0 . . . . . . . 280 ARG CB . 51753 1 833 . 1 . 1 187 187 ARG N N 15 122.4006716 0.01156180913 . . . . . . . 280 ARG N . 51753 1 834 . 1 . 1 188 188 ASP H H 1 8.103066231 0.0006499802858 . . . . . . . 281 ASP H . 51753 1 835 . 1 . 1 188 188 ASP C C 13 177.4449591 0 . . . . . . . 281 ASP C . 51753 1 836 . 1 . 1 188 188 ASP CA C 13 57.34908129 0 . . . . . . . 281 ASP CA . 51753 1 837 . 1 . 1 188 188 ASP CB C 13 38.67140098 0 . . . . . . . 281 ASP CB . 51753 1 838 . 1 . 1 188 188 ASP N N 15 121.2204599 0.01869748493 . . . . . . . 281 ASP N . 51753 1 839 . 1 . 1 189 189 ARG H H 1 7.638354265 0.001960544705 . . . . . . . 282 ARG H . 51753 1 840 . 1 . 1 189 189 ARG C C 13 176.9742031 0 . . . . . . . 282 ARG C . 51753 1 841 . 1 . 1 189 189 ARG CA C 13 58.93561347 0 . . . . . . . 282 ARG CA . 51753 1 842 . 1 . 1 189 189 ARG CB C 13 27.63417922 0 . . . . . . . 282 ARG CB . 51753 1 843 . 1 . 1 189 189 ARG N N 15 120.6822112 0.009564673056 . . . . . . . 282 ARG N . 51753 1 844 . 1 . 1 190 190 ARG H H 1 7.17751436 0 . . . . . . . 283 ARG H . 51753 1 845 . 1 . 1 190 190 ARG C C 13 179.119186 0 . . . . . . . 283 ARG C . 51753 1 846 . 1 . 1 190 190 ARG CA C 13 59.09819476 0 . . . . . . . 283 ARG CA . 51753 1 847 . 1 . 1 190 190 ARG CB C 13 28.71423352 0 . . . . . . . 283 ARG CB . 51753 1 848 . 1 . 1 190 190 ARG N N 15 117.9129838 0 . . . . . . . 283 ARG N . 51753 1 849 . 1 . 1 191 191 THR H H 1 8.26861426 0.001533332919 . . . . . . . 284 THR H . 51753 1 850 . 1 . 1 191 191 THR C C 13 176.670825 0 . . . . . . . 284 THR C . 51753 1 851 . 1 . 1 191 191 THR CA C 13 66.05134104 0 . . . . . . . 284 THR CA . 51753 1 852 . 1 . 1 191 191 THR CB C 13 68.39011824 0 . . . . . . . 284 THR CB . 51753 1 853 . 1 . 1 191 191 THR N N 15 116.0785825 0.0065118455 . . . . . . . 284 THR N . 51753 1 854 . 1 . 1 192 192 GLU H H 1 8.04233158 0.0006192910774 . . . . . . . 285 GLU H . 51753 1 855 . 1 . 1 192 192 GLU C C 13 180.4722014 0 . . . . . . . 285 GLU C . 51753 1 856 . 1 . 1 192 192 GLU CA C 13 60.5687205 0 . . . . . . . 285 GLU CA . 51753 1 857 . 1 . 1 192 192 GLU CB C 13 28.75398365 0 . . . . . . . 285 GLU CB . 51753 1 858 . 1 . 1 192 192 GLU N N 15 121.1819699 0.01229913846 . . . . . . . 285 GLU N . 51753 1 859 . 1 . 1 193 193 GLU H H 1 8.49074325 0.000402899447 . . . . . . . 286 GLU H . 51753 1 860 . 1 . 1 193 193 GLU C C 13 179.6479216 0 . . . . . . . 286 GLU C . 51753 1 861 . 1 . 1 193 193 GLU CA C 13 59.43016847 0 . . . . . . . 286 GLU CA . 51753 1 862 . 1 . 1 193 193 GLU CB C 13 28.21703367 0 . . . . . . . 286 GLU CB . 51753 1 863 . 1 . 1 193 193 GLU N N 15 119.9172734 0.001883392089 . . . . . . . 286 GLU N . 51753 1 864 . 1 . 1 194 194 GLU H H 1 8.255440148 0.001083519654 . . . . . . . 287 GLU H . 51753 1 865 . 1 . 1 194 194 GLU C C 13 178.9217044 0 . . . . . . . 287 GLU C . 51753 1 866 . 1 . 1 194 194 GLU CA C 13 58.72562738 0 . . . . . . . 287 GLU CA . 51753 1 867 . 1 . 1 194 194 GLU CB C 13 28.19113365 0 . . . . . . . 287 GLU CB . 51753 1 868 . 1 . 1 194 194 GLU N N 15 121.1710729 0.004625424059 . . . . . . . 287 GLU N . 51753 1 869 . 1 . 1 195 195 ASN H H 1 7.828972609 0.001254400551 . . . . . . . 288 ASN H . 51753 1 870 . 1 . 1 195 195 ASN C C 13 177.0276658 0 . . . . . . . 288 ASN C . 51753 1 871 . 1 . 1 195 195 ASN CA C 13 54.83204188 0 . . . . . . . 288 ASN CA . 51753 1 872 . 1 . 1 195 195 ASN CB C 13 37.61418908 0 . . . . . . . 288 ASN CB . 51753 1 873 . 1 . 1 195 195 ASN N N 15 117.3702701 0.00242628466 . . . . . . . 288 ASN N . 51753 1 874 . 1 . 1 196 196 LEU H H 1 7.414089727 0.001014502355 . . . . . . . 289 LEU H . 51753 1 875 . 1 . 1 196 196 LEU C C 13 178.4168284 0 . . . . . . . 289 LEU C . 51753 1 876 . 1 . 1 196 196 LEU CA C 13 56.54656873 0 . . . . . . . 289 LEU CA . 51753 1 877 . 1 . 1 196 196 LEU CB C 13 41.00385276 0 . . . . . . . 289 LEU CB . 51753 1 878 . 1 . 1 196 196 LEU N N 15 120.4602788 0.009349050221 . . . . . . . 289 LEU N . 51753 1 879 . 1 . 1 197 197 ARG H H 1 7.601297719 0.0008263124309 . . . . . . . 290 ARG H . 51753 1 880 . 1 . 1 197 197 ARG C C 13 177.2375234 0 . . . . . . . 290 ARG C . 51753 1 881 . 1 . 1 197 197 ARG CA C 13 56.85297018 0 . . . . . . . 290 ARG CA . 51753 1 882 . 1 . 1 197 197 ARG CB C 13 29.38025553 0 . . . . . . . 290 ARG CB . 51753 1 883 . 1 . 1 197 197 ARG N N 15 118.8970814 0.00136751377 . . . . . . . 290 ARG N . 51753 1 884 . 1 . 1 198 198 LYS H H 1 7.786781768 0.0004051835457 . . . . . . . 291 LYS H . 51753 1 885 . 1 . 1 198 198 LYS C C 13 176.809029 0 . . . . . . . 291 LYS C . 51753 1 886 . 1 . 1 198 198 LYS CA C 13 56.72155502 0 . . . . . . . 291 LYS CA . 51753 1 887 . 1 . 1 198 198 LYS CB C 13 31.8790243 0 . . . . . . . 291 LYS CB . 51753 1 888 . 1 . 1 198 198 LYS N N 15 120.3063037 0.02092647824 . . . . . . . 291 LYS N . 51753 1 889 . 1 . 1 199 199 LYS H H 1 7.793109011 0 . . . . . . . 292 LYS H . 51753 1 890 . 1 . 1 199 199 LYS C C 13 176.5631218 0 . . . . . . . 292 LYS C . 51753 1 891 . 1 . 1 199 199 LYS CA C 13 56.38241787 0 . . . . . . . 292 LYS CA . 51753 1 892 . 1 . 1 199 199 LYS CB C 13 31.65235358 0 . . . . . . . 292 LYS CB . 51753 1 893 . 1 . 1 199 199 LYS N N 15 120.191683 0 . . . . . . . 292 LYS N . 51753 1 894 . 1 . 1 200 200 GLY H H 1 7.789015669 0.0008448501121 . . . . . . . 293 GLY H . 51753 1 895 . 1 . 1 200 200 GLY C C 13 179.0658173 0 . . . . . . . 293 GLY C . 51753 1 896 . 1 . 1 200 200 GLY CA C 13 45.72644451 0 . . . . . . . 293 GLY CA . 51753 1 897 . 1 . 1 200 200 GLY N N 15 115.7190765 0.01344137041 . . . . . . . 293 GLY N . 51753 1 stop_ save_