data_26822 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26822 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of Human integrin alpha1 I domain mutant E317A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-20 _Entry.Accession_date 2016-06-20 _Entry.Last_release_date 2016-08-31 _Entry.Original_release_date 2016-08-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Ana Monica' Nunes . . . . 26822 2 Jie Zhu . . . . 26822 3 Jacqueline Jezioro . . . . 26822 4 Conceicao Minetti . A.S.A. . . 26822 5 David Remeta . P. . . 26822 6 Richard Farndale . W. . . 26822 7 Samir Hamaia . W. . . 26822 8 Jean Baum . . . . 26822 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Baum group; Rutgers University' . 26822 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26822 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 26822 '15N chemical shifts' 166 26822 '1H chemical shifts' 166 26822 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-08-31 . original BMRB . 26822 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26822 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27342747 _Citation.Full_citation . _Citation.Title ; Intrinsic local destabilization of the C-terminus predisposes integrin alpha1 I domain to a conformational switch induced by collagen binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 9 _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 1672 _Citation.Page_last 1681 _Citation.Year 2016 _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 'Ana Monica' Nunes . . . . 26822 1 2 Jie Zhu . . . . 26822 1 3 Jacqueline Jezioro . . . . 26822 1 4 Conceicao Minetti . A.S.A. . . 26822 1 5 David Remeta . P. . . 26822 1 6 Richard Farndale . W. . . 26822 1 7 Samir Hamaia . W. . . 26822 1 8 Jean Baum . . . . 26822 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26822 1 'alpha1 I domain' 26822 1 'binding energetics' 26822 1 collagen 26822 1 'conformational switch' 26822 1 dynamics 26822 1 'hydrogen-deuterium exchange' 26822 1 integrin 26822 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26822 _Assembly.ID 1 _Assembly.Name 'a1I_E317A monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 a1I_E317A 1 $integrin_alpha1_I_domain_mutant_E317A A . yes native no no . . . 26822 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_integrin_alpha1_I_domain_mutant_E317A _Entity.Sf_category entity _Entity.Sf_framecode integrin_alpha1_I_domain_mutant_E317A _Entity.Entry_ID 26822 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name integrin_alpha1_I_domain_mutant_E317A _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 ; MNHHHHHHHHHHTSLYKKAG FTQLDIVIVLDGSNSIYPWD SVTAFLNDLLERMDIGPKQT QVGIVQYGENVTHEFNLNKY SSTEEVLVAAKKIVQRGGRQ TMTALGIDTARKEAFTEARG ARRGVKKVMVIVTDGESHDN HRLKKVIQDCEDENIQRFSI AILGSYNRGNLSTEKFVEEI KSIASEPTEKHFFNVSDALA LVTIVKTLGERIFALE ; _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 216 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 26822 1 2 2 ASN . 26822 1 3 3 HIS . 26822 1 4 4 HIS . 26822 1 5 5 HIS . 26822 1 6 6 HIS . 26822 1 7 7 HIS . 26822 1 8 8 HIS . 26822 1 9 9 HIS . 26822 1 10 10 HIS . 26822 1 11 11 HIS . 26822 1 12 12 HIS . 26822 1 13 13 THR . 26822 1 14 14 SER . 26822 1 15 15 LEU . 26822 1 16 16 TYR . 26822 1 17 17 LYS . 26822 1 18 18 LYS . 26822 1 19 19 ALA . 26822 1 20 20 GLY . 26822 1 21 21 PHE . 26822 1 22 141 THR . 26822 1 23 142 GLN . 26822 1 24 143 LEU . 26822 1 25 144 ASP . 26822 1 26 145 ILE . 26822 1 27 146 VAL . 26822 1 28 147 ILE . 26822 1 29 148 VAL . 26822 1 30 149 LEU . 26822 1 31 150 ASP . 26822 1 32 151 GLY . 26822 1 33 152 SER . 26822 1 34 153 ASN . 26822 1 35 154 SER . 26822 1 36 155 ILE . 26822 1 37 156 TYR . 26822 1 38 157 PRO . 26822 1 39 158 TRP . 26822 1 40 159 ASP . 26822 1 41 160 SER . 26822 1 42 161 VAL . 26822 1 43 162 THR . 26822 1 44 163 ALA . 26822 1 45 164 PHE . 26822 1 46 165 LEU . 26822 1 47 166 ASN . 26822 1 48 167 ASP . 26822 1 49 168 LEU . 26822 1 50 169 LEU . 26822 1 51 170 GLU . 26822 1 52 171 ARG . 26822 1 53 172 MET . 26822 1 54 173 ASP . 26822 1 55 174 ILE . 26822 1 56 175 GLY . 26822 1 57 176 PRO . 26822 1 58 177 LYS . 26822 1 59 178 GLN . 26822 1 60 179 THR . 26822 1 61 180 GLN . 26822 1 62 181 VAL . 26822 1 63 182 GLY . 26822 1 64 183 ILE . 26822 1 65 184 VAL . 26822 1 66 185 GLN . 26822 1 67 186 TYR . 26822 1 68 187 GLY . 26822 1 69 188 GLU . 26822 1 70 189 ASN . 26822 1 71 190 VAL . 26822 1 72 191 THR . 26822 1 73 192 HIS . 26822 1 74 193 GLU . 26822 1 75 194 PHE . 26822 1 76 195 ASN . 26822 1 77 196 LEU . 26822 1 78 197 ASN . 26822 1 79 198 LYS . 26822 1 80 199 TYR . 26822 1 81 200 SER . 26822 1 82 201 SER . 26822 1 83 202 THR . 26822 1 84 203 GLU . 26822 1 85 204 GLU . 26822 1 86 205 VAL . 26822 1 87 206 LEU . 26822 1 88 207 VAL . 26822 1 89 208 ALA . 26822 1 90 209 ALA . 26822 1 91 210 LYS . 26822 1 92 211 LYS . 26822 1 93 212 ILE . 26822 1 94 213 VAL . 26822 1 95 214 GLN . 26822 1 96 215 ARG . 26822 1 97 216 GLY . 26822 1 98 217 GLY . 26822 1 99 218 ARG . 26822 1 100 219 GLN . 26822 1 101 220 THR . 26822 1 102 221 MET . 26822 1 103 222 THR . 26822 1 104 223 ALA . 26822 1 105 224 LEU . 26822 1 106 225 GLY . 26822 1 107 226 ILE . 26822 1 108 227 ASP . 26822 1 109 228 THR . 26822 1 110 229 ALA . 26822 1 111 230 ARG . 26822 1 112 231 LYS . 26822 1 113 232 GLU . 26822 1 114 233 ALA . 26822 1 115 234 PHE . 26822 1 116 235 THR . 26822 1 117 236 GLU . 26822 1 118 237 ALA . 26822 1 119 238 ARG . 26822 1 120 239 GLY . 26822 1 121 240 ALA . 26822 1 122 241 ARG . 26822 1 123 242 ARG . 26822 1 124 243 GLY . 26822 1 125 244 VAL . 26822 1 126 245 LYS . 26822 1 127 246 LYS . 26822 1 128 247 VAL . 26822 1 129 248 MET . 26822 1 130 249 VAL . 26822 1 131 250 ILE . 26822 1 132 251 VAL . 26822 1 133 252 THR . 26822 1 134 253 ASP . 26822 1 135 254 GLY . 26822 1 136 255 GLU . 26822 1 137 256 SER . 26822 1 138 257 HIS . 26822 1 139 258 ASP . 26822 1 140 259 ASN . 26822 1 141 260 HIS . 26822 1 142 261 ARG . 26822 1 143 262 LEU . 26822 1 144 263 LYS . 26822 1 145 264 LYS . 26822 1 146 265 VAL . 26822 1 147 266 ILE . 26822 1 148 267 GLN . 26822 1 149 268 ASP . 26822 1 150 269 CYS . 26822 1 151 270 GLU . 26822 1 152 271 ASP . 26822 1 153 272 GLU . 26822 1 154 273 ASN . 26822 1 155 274 ILE . 26822 1 156 275 GLN . 26822 1 157 276 ARG . 26822 1 158 277 PHE . 26822 1 159 278 SER . 26822 1 160 279 ILE . 26822 1 161 280 ALA . 26822 1 162 281 ILE . 26822 1 163 282 LEU . 26822 1 164 283 GLY . 26822 1 165 284 SER . 26822 1 166 285 TYR . 26822 1 167 286 ASN . 26822 1 168 287 ARG . 26822 1 169 288 GLY . 26822 1 170 289 ASN . 26822 1 171 290 LEU . 26822 1 172 291 SER . 26822 1 173 292 THR . 26822 1 174 293 GLU . 26822 1 175 294 LYS . 26822 1 176 295 PHE . 26822 1 177 296 VAL . 26822 1 178 297 GLU . 26822 1 179 298 GLU . 26822 1 180 299 ILE . 26822 1 181 300 LYS . 26822 1 182 301 SER . 26822 1 183 302 ILE . 26822 1 184 303 ALA . 26822 1 185 304 SER . 26822 1 186 305 GLU . 26822 1 187 306 PRO . 26822 1 188 307 THR . 26822 1 189 308 GLU . 26822 1 190 309 LYS . 26822 1 191 310 HIS . 26822 1 192 311 PHE . 26822 1 193 312 PHE . 26822 1 194 313 ASN . 26822 1 195 314 VAL . 26822 1 196 315 SER . 26822 1 197 316 ASP . 26822 1 198 317 ALA . 26822 1 199 318 LEU . 26822 1 200 319 ALA . 26822 1 201 320 LEU . 26822 1 202 321 VAL . 26822 1 203 322 THR . 26822 1 204 323 ILE . 26822 1 205 324 VAL . 26822 1 206 325 LYS . 26822 1 207 326 THR . 26822 1 208 327 LEU . 26822 1 209 328 GLY . 26822 1 210 329 GLU . 26822 1 211 330 ARG . 26822 1 212 331 ILE . 26822 1 213 332 PHE . 26822 1 214 333 ALA . 26822 1 215 334 LEU . 26822 1 216 335 GLU . 26822 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26822 1 . ASN 2 2 26822 1 . HIS 3 3 26822 1 . HIS 4 4 26822 1 . HIS 5 5 26822 1 . HIS 6 6 26822 1 . HIS 7 7 26822 1 . HIS 8 8 26822 1 . HIS 9 9 26822 1 . HIS 10 10 26822 1 . HIS 11 11 26822 1 . HIS 12 12 26822 1 . THR 13 13 26822 1 . SER 14 14 26822 1 . LEU 15 15 26822 1 . TYR 16 16 26822 1 . LYS 17 17 26822 1 . LYS 18 18 26822 1 . ALA 19 19 26822 1 . GLY 20 20 26822 1 . PHE 21 21 26822 1 . THR 22 22 26822 1 . GLN 23 23 26822 1 . LEU 24 24 26822 1 . ASP 25 25 26822 1 . ILE 26 26 26822 1 . VAL 27 27 26822 1 . ILE 28 28 26822 1 . VAL 29 29 26822 1 . LEU 30 30 26822 1 . ASP 31 31 26822 1 . GLY 32 32 26822 1 . SER 33 33 26822 1 . ASN 34 34 26822 1 . SER 35 35 26822 1 . ILE 36 36 26822 1 . TYR 37 37 26822 1 . PRO 38 38 26822 1 . TRP 39 39 26822 1 . ASP 40 40 26822 1 . SER 41 41 26822 1 . VAL 42 42 26822 1 . THR 43 43 26822 1 . ALA 44 44 26822 1 . PHE 45 45 26822 1 . LEU 46 46 26822 1 . ASN 47 47 26822 1 . ASP 48 48 26822 1 . LEU 49 49 26822 1 . LEU 50 50 26822 1 . GLU 51 51 26822 1 . ARG 52 52 26822 1 . MET 53 53 26822 1 . ASP 54 54 26822 1 . ILE 55 55 26822 1 . GLY 56 56 26822 1 . PRO 57 57 26822 1 . LYS 58 58 26822 1 . GLN 59 59 26822 1 . THR 60 60 26822 1 . GLN 61 61 26822 1 . VAL 62 62 26822 1 . GLY 63 63 26822 1 . ILE 64 64 26822 1 . VAL 65 65 26822 1 . GLN 66 66 26822 1 . TYR 67 67 26822 1 . GLY 68 68 26822 1 . GLU 69 69 26822 1 . ASN 70 70 26822 1 . VAL 71 71 26822 1 . THR 72 72 26822 1 . HIS 73 73 26822 1 . GLU 74 74 26822 1 . PHE 75 75 26822 1 . ASN 76 76 26822 1 . LEU 77 77 26822 1 . ASN 78 78 26822 1 . LYS 79 79 26822 1 . TYR 80 80 26822 1 . SER 81 81 26822 1 . SER 82 82 26822 1 . THR 83 83 26822 1 . GLU 84 84 26822 1 . GLU 85 85 26822 1 . VAL 86 86 26822 1 . LEU 87 87 26822 1 . VAL 88 88 26822 1 . ALA 89 89 26822 1 . ALA 90 90 26822 1 . LYS 91 91 26822 1 . LYS 92 92 26822 1 . ILE 93 93 26822 1 . VAL 94 94 26822 1 . GLN 95 95 26822 1 . ARG 96 96 26822 1 . GLY 97 97 26822 1 . GLY 98 98 26822 1 . ARG 99 99 26822 1 . GLN 100 100 26822 1 . THR 101 101 26822 1 . MET 102 102 26822 1 . THR 103 103 26822 1 . ALA 104 104 26822 1 . LEU 105 105 26822 1 . GLY 106 106 26822 1 . ILE 107 107 26822 1 . ASP 108 108 26822 1 . THR 109 109 26822 1 . ALA 110 110 26822 1 . ARG 111 111 26822 1 . LYS 112 112 26822 1 . GLU 113 113 26822 1 . ALA 114 114 26822 1 . PHE 115 115 26822 1 . THR 116 116 26822 1 . GLU 117 117 26822 1 . ALA 118 118 26822 1 . ARG 119 119 26822 1 . GLY 120 120 26822 1 . ALA 121 121 26822 1 . ARG 122 122 26822 1 . ARG 123 123 26822 1 . GLY 124 124 26822 1 . VAL 125 125 26822 1 . LYS 126 126 26822 1 . LYS 127 127 26822 1 . VAL 128 128 26822 1 . MET 129 129 26822 1 . VAL 130 130 26822 1 . ILE 131 131 26822 1 . VAL 132 132 26822 1 . THR 133 133 26822 1 . ASP 134 134 26822 1 . GLY 135 135 26822 1 . GLU 136 136 26822 1 . SER 137 137 26822 1 . HIS 138 138 26822 1 . ASP 139 139 26822 1 . ASN 140 140 26822 1 . HIS 141 141 26822 1 . ARG 142 142 26822 1 . LEU 143 143 26822 1 . LYS 144 144 26822 1 . LYS 145 145 26822 1 . VAL 146 146 26822 1 . ILE 147 147 26822 1 . GLN 148 148 26822 1 . ASP 149 149 26822 1 . CYS 150 150 26822 1 . GLU 151 151 26822 1 . ASP 152 152 26822 1 . GLU 153 153 26822 1 . ASN 154 154 26822 1 . ILE 155 155 26822 1 . GLN 156 156 26822 1 . ARG 157 157 26822 1 . PHE 158 158 26822 1 . SER 159 159 26822 1 . ILE 160 160 26822 1 . ALA 161 161 26822 1 . ILE 162 162 26822 1 . LEU 163 163 26822 1 . GLY 164 164 26822 1 . SER 165 165 26822 1 . TYR 166 166 26822 1 . ASN 167 167 26822 1 . ARG 168 168 26822 1 . GLY 169 169 26822 1 . ASN 170 170 26822 1 . LEU 171 171 26822 1 . SER 172 172 26822 1 . THR 173 173 26822 1 . GLU 174 174 26822 1 . LYS 175 175 26822 1 . PHE 176 176 26822 1 . VAL 177 177 26822 1 . GLU 178 178 26822 1 . GLU 179 179 26822 1 . ILE 180 180 26822 1 . LYS 181 181 26822 1 . SER 182 182 26822 1 . ILE 183 183 26822 1 . ALA 184 184 26822 1 . SER 185 185 26822 1 . GLU 186 186 26822 1 . PRO 187 187 26822 1 . THR 188 188 26822 1 . GLU 189 189 26822 1 . LYS 190 190 26822 1 . HIS 191 191 26822 1 . PHE 192 192 26822 1 . PHE 193 193 26822 1 . ASN 194 194 26822 1 . VAL 195 195 26822 1 . SER 196 196 26822 1 . ASP 197 197 26822 1 . ALA 198 198 26822 1 . LEU 199 199 26822 1 . ALA 200 200 26822 1 . LEU 201 201 26822 1 . VAL 202 202 26822 1 . THR 203 203 26822 1 . ILE 204 204 26822 1 . VAL 205 205 26822 1 . LYS 206 206 26822 1 . THR 207 207 26822 1 . LEU 208 208 26822 1 . GLY 209 209 26822 1 . GLU 210 210 26822 1 . ARG 211 211 26822 1 . ILE 212 212 26822 1 . PHE 213 213 26822 1 . ALA 214 214 26822 1 . LEU 215 215 26822 1 . GLU 216 216 26822 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26822 _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 $integrin_alpha1_I_domain_mutant_E317A . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26822 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26822 _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 $integrin_alpha1_I_domain_mutant_E317A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET_Dest_42 . . . 26822 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26822 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'integrin alpha1 I domain mutant E317A' '[U-99% 13C; U-99% 15N]' . . 1 $integrin_alpha1_I_domain_mutant_E317A . . 0.45 . . mM . . . . 26822 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26822 1 3 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 26822 1 4 'Magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26822 1 5 2-Mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 26822 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26822 1 7 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 26822 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 26822 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.46 . M 26822 1 pH 7.0 . pH 26822 1 pressure 1 . atm 26822 1 temperature 273 . K 26822 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26822 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26822 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26822 1 'peak picking' 26822 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26822 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26822 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 . . . 26822 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26822 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26822 1 2 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26822 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26822 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26822 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26822 1 6 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26822 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26822 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26822 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26822 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26822 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26822 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 26822 1 3 '3D HNCACB' . . . 26822 1 4 '3D CBCA(CO)NH' . . . 26822 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 SER H H 1 8.108 0.020 . 1 . . . . 14 SER H . 26822 1 2 . 1 1 14 14 SER C C 13 177.227 0.3 . 1 . . . . 14 SER C . 26822 1 3 . 1 1 14 14 SER CA C 13 58.075 0.3 . 1 . . . . 14 SER CA . 26822 1 4 . 1 1 14 14 SER N N 15 118.743 0.3 . 1 . . . . 14 SER N . 26822 1 5 . 1 1 15 15 LEU H H 1 7.789 0.020 . 1 . . . . 15 LEU H . 26822 1 6 . 1 1 15 15 LEU C C 13 176.924 0.3 . 1 . . . . 15 LEU C . 26822 1 7 . 1 1 15 15 LEU CA C 13 55.284 0.3 . 1 . . . . 15 LEU CA . 26822 1 8 . 1 1 15 15 LEU CB C 13 41.649 0.3 . 1 . . . . 15 LEU CB . 26822 1 9 . 1 1 15 15 LEU N N 15 124.218 0.3 . 1 . . . . 15 LEU N . 26822 1 10 . 1 1 16 16 TYR H H 1 7.551 0.020 . 1 . . . . 16 TYR H . 26822 1 11 . 1 1 16 16 TYR C C 13 175.476 0.3 . 1 . . . . 16 TYR C . 26822 1 12 . 1 1 16 16 TYR CA C 13 57.265 0.3 . 1 . . . . 16 TYR CA . 26822 1 13 . 1 1 16 16 TYR CB C 13 38.153 0.3 . 1 . . . . 16 TYR CB . 26822 1 14 . 1 1 16 16 TYR N N 15 119.838 0.3 . 1 . . . . 16 TYR N . 26822 1 15 . 1 1 17 17 LYS H H 1 7.736 0.020 . 1 . . . . 17 LYS H . 26822 1 16 . 1 1 17 17 LYS C C 13 176.083 0.3 . 1 . . . . 17 LYS C . 26822 1 17 . 1 1 17 17 LYS CA C 13 55.750 0.3 . 1 . . . . 17 LYS CA . 26822 1 18 . 1 1 17 17 LYS CB C 13 32.327 0.3 . 1 . . . . 17 LYS CB . 26822 1 19 . 1 1 17 17 LYS N N 15 123.105 0.3 . 1 . . . . 17 LYS N . 26822 1 20 . 1 1 18 18 LYS H H 1 7.868 0.020 . 1 . . . . 18 LYS H . 26822 1 21 . 1 1 18 18 LYS C C 13 175.943 0.3 . 1 . . . . 18 LYS C . 26822 1 22 . 1 1 18 18 LYS CA C 13 55.782 0.3 . 1 . . . . 18 LYS CA . 26822 1 23 . 1 1 18 18 LYS CB C 13 32.308 0.3 . 1 . . . . 18 LYS CB . 26822 1 24 . 1 1 18 18 LYS N N 15 122.882 0.3 . 1 . . . . 18 LYS N . 26822 1 25 . 1 1 19 19 ALA H H 1 7.947 0.020 . 1 . . . . 19 ALA H . 26822 1 26 . 1 1 19 19 ALA C C 13 177.741 0.3 . 1 . . . . 19 ALA C . 26822 1 27 . 1 1 19 19 ALA CA C 13 52.254 0.3 . 1 . . . . 19 ALA CA . 26822 1 28 . 1 1 19 19 ALA CB C 13 18.926 0.3 . 1 . . . . 19 ALA CB . 26822 1 29 . 1 1 19 19 ALA N N 15 125.629 0.3 . 1 . . . . 19 ALA N . 26822 1 30 . 1 1 20 20 GLY H H 1 7.939 0.020 . 1 . . . . 20 GLY H . 26822 1 31 . 1 1 20 20 GLY C C 13 173.609 0.3 . 1 . . . . 20 GLY C . 26822 1 32 . 1 1 20 20 GLY CA C 13 44.679 0.3 . 1 . . . . 20 GLY CA . 26822 1 33 . 1 1 20 20 GLY N N 15 108.480 0.3 . 1 . . . . 20 GLY N . 26822 1 34 . 1 1 21 21 PHE H H 1 7.903 0.020 . 1 . . . . 21 PHE H . 26822 1 35 . 1 1 21 21 PHE C C 13 175.640 0.3 . 1 . . . . 21 PHE C . 26822 1 36 . 1 1 21 21 PHE CA C 13 57.498 0.3 . 1 . . . . 21 PHE CA . 26822 1 37 . 1 1 21 21 PHE CB C 13 39.319 0.3 . 1 . . . . 21 PHE CB . 26822 1 38 . 1 1 21 21 PHE N N 15 120.878 0.3 . 1 . . . . 21 PHE N . 26822 1 39 . 1 1 22 22 THR H H 1 7.835 0.020 . 1 . . . . 141 THR H . 26822 1 40 . 1 1 22 22 THR C C 13 174.460 0.3 . 1 . . . . 141 THR C . 26822 1 41 . 1 1 22 22 THR CA C 13 61.576 0.3 . 1 . . . . 141 THR CA . 26822 1 42 . 1 1 22 22 THR CB C 13 69.617 0.3 . 1 . . . . 141 THR CB . 26822 1 43 . 1 1 22 22 THR N N 15 115.384 0.3 . 1 . . . . 141 THR N . 26822 1 44 . 1 1 23 23 GLN H H 1 7.516 0.020 . 1 . . . . 142 GLN H . 26822 1 45 . 1 1 23 23 GLN C C 13 172.955 0.3 . 1 . . . . 142 GLN C . 26822 1 46 . 1 1 23 23 GLN CA C 13 55.633 0.3 . 1 . . . . 142 GLN CA . 26822 1 47 . 1 1 23 23 GLN CB C 13 28.714 0.3 . 1 . . . . 142 GLN CB . 26822 1 48 . 1 1 23 23 GLN N N 15 124.218 0.3 . 1 . . . . 142 GLN N . 26822 1 49 . 1 1 24 24 LEU H H 1 7.040 0.020 . 1 . . . . 143 LEU H . 26822 1 50 . 1 1 24 24 LEU C C 13 174.893 0.3 . 1 . . . . 143 LEU C . 26822 1 51 . 1 1 24 24 LEU CA C 13 54.002 0.3 . 1 . . . . 143 LEU CA . 26822 1 52 . 1 1 24 24 LEU CB C 13 46.544 0.3 . 1 . . . . 143 LEU CB . 26822 1 53 . 1 1 24 24 LEU N N 15 123.550 0.3 . 1 . . . . 143 LEU N . 26822 1 54 . 1 1 25 25 ASP H H 1 8.405 0.020 . 1 . . . . 144 ASP H . 26822 1 55 . 1 1 25 25 ASP C C 13 173.306 0.3 . 1 . . . . 144 ASP C . 26822 1 56 . 1 1 25 25 ASP CA C 13 53.931 0.3 . 1 . . . . 144 ASP CA . 26822 1 57 . 1 1 25 25 ASP CB C 13 41.649 0.3 . 1 . . . . 144 ASP CB . 26822 1 58 . 1 1 25 25 ASP N N 15 126.074 0.3 . 1 . . . . 144 ASP N . 26822 1 59 . 1 1 26 26 ILE H H 1 8.643 0.020 . 1 . . . . 145 ILE H . 26822 1 60 . 1 1 26 26 ILE C C 13 174.169 0.3 . 1 . . . . 145 ILE C . 26822 1 61 . 1 1 26 26 ILE CA C 13 59.246 0.3 . 1 . . . . 145 ILE CA . 26822 1 62 . 1 1 26 26 ILE CB C 13 39.901 0.3 . 1 . . . . 145 ILE CB . 26822 1 63 . 1 1 26 26 ILE N N 15 124.515 0.3 . 1 . . . . 145 ILE N . 26822 1 64 . 1 1 27 27 VAL H H 1 8.731 0.020 . 1 . . . . 146 VAL H . 26822 1 65 . 1 1 27 27 VAL C C 13 175.196 0.3 . 1 . . . . 146 VAL C . 26822 1 66 . 1 1 27 27 VAL CA C 13 59.263 0.3 . 1 . . . . 146 VAL CA . 26822 1 67 . 1 1 27 27 VAL CB C 13 33.492 0.3 . 1 . . . . 146 VAL CB . 26822 1 68 . 1 1 27 27 VAL N N 15 125.703 0.3 . 1 . . . . 146 VAL N . 26822 1 69 . 1 1 28 28 ILE H H 1 8.211 0.020 . 1 . . . . 147 ILE H . 26822 1 70 . 1 1 28 28 ILE C C 13 173.119 0.3 . 1 . . . . 147 ILE C . 26822 1 71 . 1 1 28 28 ILE CA C 13 59.263 0.3 . 1 . . . . 147 ILE CA . 26822 1 72 . 1 1 28 28 ILE CB C 13 37.571 0.3 . 1 . . . . 147 ILE CB . 26822 1 73 . 1 1 28 28 ILE N N 15 128.821 0.3 . 1 . . . . 147 ILE N . 26822 1 74 . 1 1 29 29 VAL H H 1 9.435 0.020 . 1 . . . . 148 VAL H . 26822 1 75 . 1 1 29 29 VAL C C 13 173.772 0.3 . 1 . . . . 148 VAL C . 26822 1 76 . 1 1 29 29 VAL CA C 13 60.994 0.3 . 1 . . . . 148 VAL CA . 26822 1 77 . 1 1 29 29 VAL CB C 13 31.744 0.3 . 1 . . . . 148 VAL CB . 26822 1 78 . 1 1 29 29 VAL N N 15 131.122 0.3 . 1 . . . . 148 VAL N . 26822 1 79 . 1 1 30 30 LEU H H 1 8.852 0.020 . 1 . . . . 149 LEU H . 26822 1 80 . 1 1 30 30 LEU C C 13 173.991 0.3 . 1 . . . . 149 LEU C . 26822 1 81 . 1 1 30 30 LEU CA C 13 52.894 0.3 . 1 . . . . 149 LEU CA . 26822 1 82 . 1 1 30 30 LEU CB C 13 45.045 0.3 . 1 . . . . 149 LEU CB . 26822 1 83 . 1 1 30 30 LEU N N 15 125.978 0.3 . 1 . . . . 149 LEU N . 26822 1 84 . 1 1 31 31 ASP H H 1 7.738 0.020 . 1 . . . . 150 ASP H . 26822 1 85 . 1 1 31 31 ASP N N 15 126.210 0.3 . 1 . . . . 150 ASP N . 26822 1 86 . 1 1 40 40 ASP H H 1 8.317 0.020 . 1 . . . . 159 ASP H . 26822 1 87 . 1 1 40 40 ASP C C 13 178.277 0.3 . 1 . . . . 159 ASP C . 26822 1 88 . 1 1 40 40 ASP CA C 13 55.633 0.3 . 1 . . . . 159 ASP CA . 26822 1 89 . 1 1 40 40 ASP CB C 13 39.319 0.3 . 1 . . . . 159 ASP CB . 26822 1 90 . 1 1 40 40 ASP N N 15 115.236 0.3 . 1 . . . . 159 ASP N . 26822 1 91 . 1 1 41 41 SER H H 1 7.260 0.020 . 1 . . . . 160 SER H . 26822 1 92 . 1 1 41 41 SER CA C 13 61.693 0.3 . 1 . . . . 160 SER CA . 26822 1 93 . 1 1 41 41 SER CB C 13 62.742 0.3 . 1 . . . . 160 SER CB . 26822 1 94 . 1 1 41 41 SER N N 15 116.442 0.3 . 1 . . . . 160 SER N . 26822 1 95 . 1 1 42 42 VAL H H 1 7.102 0.020 . 1 . . . . 161 VAL H . 26822 1 96 . 1 1 42 42 VAL C C 13 177.904 0.3 . 1 . . . . 161 VAL C . 26822 1 97 . 1 1 42 42 VAL CA C 13 65.631 0.3 . 1 . . . . 161 VAL CA . 26822 1 98 . 1 1 42 42 VAL CB C 13 29.494 0.3 . 1 . . . . 161 VAL CB . 26822 1 99 . 1 1 42 42 VAL N N 15 126.445 0.3 . 1 . . . . 161 VAL N . 26822 1 100 . 1 1 43 43 THR H H 1 7.408 0.020 . 1 . . . . 162 THR H . 26822 1 101 . 1 1 43 43 THR C C 13 177.670 0.3 . 1 . . . . 162 THR C . 26822 1 102 . 1 1 43 43 THR CA C 13 65.705 0.3 . 1 . . . . 162 THR CA . 26822 1 103 . 1 1 43 43 THR CB C 13 67.170 0.3 . 1 . . . . 162 THR CB . 26822 1 104 . 1 1 43 43 THR N N 15 112.126 0.3 . 1 . . . . 162 THR N . 26822 1 105 . 1 1 44 44 ALA H H 1 7.513 0.020 . 1 . . . . 163 ALA H . 26822 1 106 . 1 1 44 44 ALA C C 13 178.534 0.3 . 1 . . . . 163 ALA C . 26822 1 107 . 1 1 44 44 ALA CA C 13 55.190 0.3 . 1 . . . . 163 ALA CA . 26822 1 108 . 1 1 44 44 ALA CB C 13 17.760 0.3 . 1 . . . . 163 ALA CB . 26822 1 109 . 1 1 44 44 ALA N N 15 126.014 0.3 . 1 . . . . 163 ALA N . 26822 1 110 . 1 1 45 45 PHE H H 1 6.767 0.020 . 1 . . . . 164 PHE H . 26822 1 111 . 1 1 45 45 PHE C C 13 174.939 0.3 . 1 . . . . 164 PHE C . 26822 1 112 . 1 1 45 45 PHE CA C 13 60.061 0.3 . 1 . . . . 164 PHE CA . 26822 1 113 . 1 1 45 45 PHE CB C 13 38.153 0.3 . 1 . . . . 164 PHE CB . 26822 1 114 . 1 1 45 45 PHE N N 15 119.319 0.3 . 1 . . . . 164 PHE N . 26822 1 115 . 1 1 46 46 LEU H H 1 7.595 0.020 . 1 . . . . 165 LEU H . 26822 1 116 . 1 1 46 46 LEU C C 13 177.717 0.3 . 1 . . . . 165 LEU C . 26822 1 117 . 1 1 46 46 LEU CA C 13 56.915 0.3 . 1 . . . . 165 LEU CA . 26822 1 118 . 1 1 46 46 LEU CB C 13 41.416 0.3 . 1 . . . . 165 LEU CB . 26822 1 119 . 1 1 46 46 LEU N N 15 117.092 0.3 . 1 . . . . 165 LEU N . 26822 1 120 . 1 1 47 47 ASN H H 1 7.859 0.020 . 1 . . . . 166 ASN H . 26822 1 121 . 1 1 47 47 ASN C C 13 175.546 0.3 . 1 . . . . 166 ASN C . 26822 1 122 . 1 1 47 47 ASN CA C 13 56.967 0.3 . 1 . . . . 166 ASN CA . 26822 1 123 . 1 1 47 47 ASN CB C 13 39.901 0.3 . 1 . . . . 166 ASN CB . 26822 1 124 . 1 1 47 47 ASN N N 15 116.572 0.3 . 1 . . . . 166 ASN N . 26822 1 125 . 1 1 48 48 ASP H H 1 7.943 0.020 . 1 . . . . 167 ASP H . 26822 1 126 . 1 1 48 48 ASP C C 13 177.951 0.3 . 1 . . . . 167 ASP C . 26822 1 127 . 1 1 48 48 ASP CA C 13 56.216 0.3 . 1 . . . . 167 ASP CA . 26822 1 128 . 1 1 48 48 ASP CB C 13 39.202 0.3 . 1 . . . . 167 ASP CB . 26822 1 129 . 1 1 48 48 ASP N N 15 118.432 0.3 . 1 . . . . 167 ASP N . 26822 1 130 . 1 1 49 49 LEU H H 1 7.657 0.020 . 1 . . . . 168 LEU H . 26822 1 131 . 1 1 49 49 LEU C C 13 177.717 0.3 . 1 . . . . 168 LEU C . 26822 1 132 . 1 1 49 49 LEU CA C 13 56.915 0.3 . 1 . . . . 168 LEU CA . 26822 1 133 . 1 1 49 49 LEU CB C 13 42.232 0.3 . 1 . . . . 168 LEU CB . 26822 1 134 . 1 1 49 49 LEU N N 15 120.284 0.3 . 1 . . . . 168 LEU N . 26822 1 135 . 1 1 50 50 LEU H H 1 7.806 0.020 . 1 . . . . 169 LEU H . 26822 1 136 . 1 1 50 50 LEU C C 13 179.024 0.3 . 1 . . . . 169 LEU C . 26822 1 137 . 1 1 50 50 LEU CA C 13 56.893 0.3 . 1 . . . . 169 LEU CA . 26822 1 138 . 1 1 50 50 LEU CB C 13 40.484 0.3 . 1 . . . . 169 LEU CB . 26822 1 139 . 1 1 50 50 LEU N N 15 117.240 0.3 . 1 . . . . 169 LEU N . 26822 1 140 . 1 1 51 51 GLU H H 1 7.912 0.020 . 1 . . . . 170 GLU H . 26822 1 141 . 1 1 51 51 GLU C C 13 176.573 0.3 . 1 . . . . 170 GLU C . 26822 1 142 . 1 1 51 51 GLU CA C 13 58.080 0.3 . 1 . . . . 170 GLU CA . 26822 1 143 . 1 1 51 51 GLU CB C 13 28.248 0.3 . 1 . . . . 170 GLU CB . 26822 1 144 . 1 1 51 51 GLU N N 15 115.681 0.3 . 1 . . . . 170 GLU N . 26822 1 145 . 1 1 52 52 ARG H H 1 6.380 0.020 . 1 . . . . 171 ARG H . 26822 1 146 . 1 1 52 52 ARG C C 13 175.686 0.3 . 1 . . . . 171 ARG C . 26822 1 147 . 1 1 52 52 ARG CA C 13 55.050 0.3 . 1 . . . . 171 ARG CA . 26822 1 148 . 1 1 52 52 ARG CB C 13 29.414 0.3 . 1 . . . . 171 ARG CB . 26822 1 149 . 1 1 52 52 ARG N N 15 115.087 0.3 . 1 . . . . 171 ARG N . 26822 1 150 . 1 1 53 53 MET H H 1 7.393 0.020 . 1 . . . . 172 MET H . 26822 1 151 . 1 1 53 53 MET C C 13 174.449 0.3 . 1 . . . . 172 MET C . 26822 1 152 . 1 1 53 53 MET CA C 13 55.190 0.3 . 1 . . . . 172 MET CA . 26822 1 153 . 1 1 53 53 MET CB C 13 33.492 0.3 . 1 . . . . 172 MET CB . 26822 1 154 . 1 1 53 53 MET N N 15 119.170 0.3 . 1 . . . . 172 MET N . 26822 1 155 . 1 1 54 54 ASP H H 1 8.845 0.020 . 1 . . . . 173 ASP H . 26822 1 156 . 1 1 54 54 ASP C C 13 173.539 0.3 . 1 . . . . 173 ASP C . 26822 1 157 . 1 1 54 54 ASP CA C 13 52.820 0.3 . 1 . . . . 173 ASP CA . 26822 1 158 . 1 1 54 54 ASP CB C 13 39.935 0.3 . 1 . . . . 173 ASP CB . 26822 1 159 . 1 1 54 54 ASP N N 15 125.702 0.3 . 1 . . . . 173 ASP N . 26822 1 160 . 1 1 55 55 ILE H H 1 6.873 0.020 . 1 . . . . 174 ILE H . 26822 1 161 . 1 1 55 55 ILE C C 13 176.407 0.3 . 1 . . . . 174 ILE C . 26822 1 162 . 1 1 55 55 ILE CA C 13 57.498 0.3 . 1 . . . . 174 ILE CA . 26822 1 163 . 1 1 55 55 ILE CB C 13 36.988 0.3 . 1 . . . . 174 ILE CB . 26822 1 164 . 1 1 55 55 ILE N N 15 124.664 0.3 . 1 . . . . 174 ILE N . 26822 1 165 . 1 1 56 56 GLY H H 1 8.528 0.020 . 1 . . . . 175 GLY H . 26822 1 166 . 1 1 56 56 GLY C C 13 172.629 0.3 . 1 . . . . 175 GLY C . 26822 1 167 . 1 1 56 56 GLY CA C 13 44.679 0.3 . 1 . . . . 175 GLY CA . 26822 1 168 . 1 1 56 56 GLY N N 15 113.825 0.3 . 1 . . . . 175 GLY N . 26822 1 169 . 1 1 58 58 LYS H H 1 8.018 0.020 . 1 . . . . 177 LYS H . 26822 1 170 . 1 1 58 58 LYS C C 13 176.153 0.3 . 1 . . . . 177 LYS C . 26822 1 171 . 1 1 58 58 LYS CA C 13 54.118 0.3 . 1 . . . . 177 LYS CA . 26822 1 172 . 1 1 58 58 LYS CB C 13 31.716 0.3 . 1 . . . . 177 LYS CB . 26822 1 173 . 1 1 58 58 LYS N N 15 118.131 0.3 . 1 . . . . 177 LYS N . 26822 1 174 . 1 1 59 59 GLN H H 1 7.384 0.020 . 1 . . . . 178 GLN H . 26822 1 175 . 1 1 59 59 GLN C C 13 175.593 0.3 . 1 . . . . 178 GLN C . 26822 1 176 . 1 1 59 59 GLN CA C 13 54.597 0.3 . 1 . . . . 178 GLN CA . 26822 1 177 . 1 1 59 59 GLN CB C 13 28.598 0.3 . 1 . . . . 178 GLN CB . 26822 1 178 . 1 1 59 59 GLN N N 15 123.179 0.3 . 1 . . . . 178 GLN N . 26822 1 179 . 1 1 60 60 THR H H 1 8.423 0.020 . 1 . . . . 179 THR H . 26822 1 180 . 1 1 60 60 THR C C 13 172.450 0.3 . 1 . . . . 179 THR C . 26822 1 181 . 1 1 60 60 THR CA C 13 63.324 0.3 . 1 . . . . 179 THR CA . 26822 1 182 . 1 1 60 60 THR CB C 13 69.034 0.3 . 1 . . . . 179 THR CB . 26822 1 183 . 1 1 60 60 THR N N 15 126.090 0.3 . 1 . . . . 179 THR N . 26822 1 184 . 1 1 61 61 GLN H H 1 8.511 0.020 . 1 . . . . 180 GLN H . 26822 1 185 . 1 1 61 61 GLN C C 13 173.982 0.3 . 1 . . . . 180 GLN C . 26822 1 186 . 1 1 61 61 GLN CA C 13 54.584 0.3 . 1 . . . . 180 GLN CA . 26822 1 187 . 1 1 61 61 GLN CB C 13 32.909 0.3 . 1 . . . . 180 GLN CB . 26822 1 188 . 1 1 61 61 GLN N N 15 123.699 0.3 . 1 . . . . 180 GLN N . 26822 1 189 . 1 1 62 62 VAL H H 1 7.780 0.020 . 1 . . . . 181 VAL H . 26822 1 190 . 1 1 62 62 VAL C C 13 173.282 0.3 . 1 . . . . 181 VAL C . 26822 1 191 . 1 1 62 62 VAL CA C 13 59.246 0.3 . 1 . . . . 181 VAL CA . 26822 1 192 . 1 1 62 62 VAL CB C 13 35.823 0.3 . 1 . . . . 181 VAL CB . 26822 1 193 . 1 1 62 62 VAL N N 15 119.963 0.3 . 1 . . . . 181 VAL N . 26822 1 194 . 1 1 63 63 GLY H H 1 8.388 0.020 . 1 . . . . 182 GLY H . 26822 1 195 . 1 1 63 63 GLY C C 13 171.975 0.3 . 1 . . . . 182 GLY C . 26822 1 196 . 1 1 63 63 GLY CA C 13 42.931 0.3 . 1 . . . . 182 GLY CA . 26822 1 197 . 1 1 63 63 GLY N N 15 111.672 0.3 . 1 . . . . 182 GLY N . 26822 1 198 . 1 1 64 64 ILE H H 1 6.921 0.020 . 1 . . . . 183 ILE H . 26822 1 199 . 1 1 64 64 ILE C C 13 173.912 0.3 . 1 . . . . 183 ILE C . 26822 1 200 . 1 1 64 64 ILE CA C 13 60.411 0.3 . 1 . . . . 183 ILE CA . 26822 1 201 . 1 1 64 64 ILE CB C 13 40.484 0.3 . 1 . . . . 183 ILE CB . 26822 1 202 . 1 1 64 64 ILE N N 15 116.709 0.3 . 1 . . . . 183 ILE N . 26822 1 203 . 1 1 65 65 VAL H H 1 8.942 0.020 . 1 . . . . 184 VAL H . 26822 1 204 . 1 1 65 65 VAL C C 13 173.165 0.3 . 1 . . . . 184 VAL C . 26822 1 205 . 1 1 65 65 VAL CA C 13 59.411 0.3 . 1 . . . . 184 VAL CA . 26822 1 206 . 1 1 65 65 VAL CB C 13 34.678 0.3 . 1 . . . . 184 VAL CB . 26822 1 207 . 1 1 65 65 VAL N N 15 128.821 0.3 . 1 . . . . 184 VAL N . 26822 1 208 . 1 1 66 66 GLN H H 1 8.961 0.020 . 1 . . . . 185 GLN H . 26822 1 209 . 1 1 66 66 GLN C C 13 174.029 0.3 . 1 . . . . 185 GLN C . 26822 1 210 . 1 1 66 66 GLN CA C 13 52.836 0.3 . 1 . . . . 185 GLN CA . 26822 1 211 . 1 1 66 66 GLN CB C 13 31.511 0.3 . 1 . . . . 185 GLN CB . 26822 1 212 . 1 1 66 66 GLN N N 15 126.776 0.3 . 1 . . . . 185 GLN N . 26822 1 213 . 1 1 67 67 TYR H H 1 9.161 0.020 . 1 . . . . 186 TYR H . 26822 1 214 . 1 1 67 67 TYR C C 13 172.115 0.3 . 1 . . . . 186 TYR C . 26822 1 215 . 1 1 67 67 TYR CA C 13 54.584 0.3 . 1 . . . . 186 TYR CA . 26822 1 216 . 1 1 67 67 TYR CB C 13 43.416 0.3 . 1 . . . . 186 TYR CB . 26822 1 217 . 1 1 67 67 TYR N N 15 126.286 0.3 . 1 . . . . 186 TYR N . 26822 1 218 . 1 1 68 68 GLY H H 1 7.483 0.020 . 1 . . . . 187 GLY H . 26822 1 219 . 1 1 68 68 GLY C C 13 173.306 0.3 . 1 . . . . 187 GLY C . 26822 1 220 . 1 1 68 68 GLY CA C 13 47.414 0.3 . 1 . . . . 187 GLY CA . 26822 1 221 . 1 1 68 68 GLY N N 15 110.748 0.3 . 1 . . . . 187 GLY N . 26822 1 222 . 1 1 69 69 GLU H H 1 8.601 0.020 . 1 . . . . 188 GLU H . 26822 1 223 . 1 1 69 69 GLU C C 13 174.992 0.3 . 1 . . . . 188 GLU C . 26822 1 224 . 1 1 69 69 GLU CA C 13 57.485 0.3 . 1 . . . . 188 GLU CA . 26822 1 225 . 1 1 69 69 GLU CB C 13 29.938 0.3 . 1 . . . . 188 GLU CB . 26822 1 226 . 1 1 69 69 GLU N N 15 127.671 0.3 . 1 . . . . 188 GLU N . 26822 1 227 . 1 1 70 70 ASN H H 1 7.450 0.020 . 1 . . . . 189 ASN H . 26822 1 228 . 1 1 70 70 ASN C C 13 173.912 0.3 . 1 . . . . 189 ASN C . 26822 1 229 . 1 1 70 70 ASN CA C 13 50.506 0.3 . 1 . . . . 189 ASN CA . 26822 1 230 . 1 1 70 70 ASN CB C 13 40.484 0.3 . 1 . . . . 189 ASN CB . 26822 1 231 . 1 1 70 70 ASN N N 15 114.876 0.3 . 1 . . . . 189 ASN N . 26822 1 232 . 1 1 71 71 VAL H H 1 8.388 0.020 . 1 . . . . 190 VAL H . 26822 1 233 . 1 1 71 71 VAL C C 13 174.589 0.3 . 1 . . . . 190 VAL C . 26822 1 234 . 1 1 71 71 VAL CA C 13 61.576 0.3 . 1 . . . . 190 VAL CA . 26822 1 235 . 1 1 71 71 VAL CB C 13 33.026 0.3 . 1 . . . . 190 VAL CB . 26822 1 236 . 1 1 71 71 VAL N N 15 119.764 0.3 . 1 . . . . 190 VAL N . 26822 1 237 . 1 1 72 72 THR H H 1 8.801 0.020 . 1 . . . . 191 THR H . 26822 1 238 . 1 1 72 72 THR C C 13 173.282 0.3 . 1 . . . . 191 THR C . 26822 1 239 . 1 1 72 72 THR CA C 13 61.576 0.3 . 1 . . . . 191 THR CA . 26822 1 240 . 1 1 72 72 THR CB C 13 71.598 0.3 . 1 . . . . 191 THR CB . 26822 1 241 . 1 1 72 72 THR N N 15 123.624 0.3 . 1 . . . . 191 THR N . 26822 1 242 . 1 1 73 73 HIS H H 1 8.713 0.020 . 1 . . . . 192 HIS H . 26822 1 243 . 1 1 73 73 HIS C C 13 175.406 0.3 . 1 . . . . 192 HIS C . 26822 1 244 . 1 1 73 73 HIS CA C 13 55.983 0.3 . 1 . . . . 192 HIS CA . 26822 1 245 . 1 1 73 73 HIS CB C 13 29.996 0.3 . 1 . . . . 192 HIS CB . 26822 1 246 . 1 1 73 73 HIS N N 15 127.626 0.3 . 1 . . . . 192 HIS N . 26822 1 247 . 1 1 74 74 GLU H H 1 8.582 0.020 . 1 . . . . 193 GLU H . 26822 1 248 . 1 1 74 74 GLU C C 13 178.768 0.3 . 1 . . . . 193 GLU C . 26822 1 249 . 1 1 74 74 GLU CA C 13 57.859 0.3 . 1 . . . . 193 GLU CA . 26822 1 250 . 1 1 74 74 GLU CB C 13 27.816 0.3 . 1 . . . . 193 GLU CB . 26822 1 251 . 1 1 74 74 GLU N N 15 129.044 0.3 . 1 . . . . 193 GLU N . 26822 1 252 . 1 1 75 75 PHE H H 1 6.917 0.020 . 1 . . . . 194 PHE H . 26822 1 253 . 1 1 75 75 PHE C C 13 174.052 0.3 . 1 . . . . 194 PHE C . 26822 1 254 . 1 1 75 75 PHE CA C 13 56.301 0.3 . 1 . . . . 194 PHE CA . 26822 1 255 . 1 1 75 75 PHE CB C 13 39.901 0.3 . 1 . . . . 194 PHE CB . 26822 1 256 . 1 1 75 75 PHE N N 15 107.367 0.3 . 1 . . . . 194 PHE N . 26822 1 257 . 1 1 76 76 ASN H H 1 7.983 0.020 . 1 . . . . 195 ASN H . 26822 1 258 . 1 1 76 76 ASN C C 13 176.153 0.3 . 1 . . . . 195 ASN C . 26822 1 259 . 1 1 76 76 ASN CA C 13 51.205 0.3 . 1 . . . . 195 ASN CA . 26822 1 260 . 1 1 76 76 ASN CB C 13 38.736 0.3 . 1 . . . . 195 ASN CB . 26822 1 261 . 1 1 76 76 ASN N N 15 120.642 0.3 . 1 . . . . 195 ASN N . 26822 1 262 . 1 1 77 77 LEU H H 1 8.888 0.020 . 1 . . . . 196 LEU H . 26822 1 263 . 1 1 77 77 LEU C C 13 175.943 0.3 . 1 . . . . 196 LEU C . 26822 1 264 . 1 1 77 77 LEU CA C 13 57.731 0.3 . 1 . . . . 196 LEU CA . 26822 1 265 . 1 1 77 77 LEU CB C 13 42.897 0.3 . 1 . . . . 196 LEU CB . 26822 1 266 . 1 1 77 77 LEU N N 15 124.218 0.3 . 1 . . . . 196 LEU N . 26822 1 267 . 1 1 78 78 ASN H H 1 7.093 0.020 . 1 . . . . 197 ASN H . 26822 1 268 . 1 1 78 78 ASN C C 13 176.854 0.3 . 1 . . . . 197 ASN C . 26822 1 269 . 1 1 78 78 ASN CA C 13 50.111 0.3 . 1 . . . . 197 ASN CA . 26822 1 270 . 1 1 78 78 ASN CB C 13 37.905 0.3 . 1 . . . . 197 ASN CB . 26822 1 271 . 1 1 78 78 ASN N N 15 109.594 0.3 . 1 . . . . 197 ASN N . 26822 1 272 . 1 1 79 79 LYS H H 1 7.525 0.020 . 1 . . . . 198 LYS H . 26822 1 273 . 1 1 79 79 LYS C C 13 176.177 0.3 . 1 . . . . 198 LYS C . 26822 1 274 . 1 1 79 79 LYS CA C 13 58.663 0.3 . 1 . . . . 198 LYS CA . 26822 1 275 . 1 1 79 79 LYS CB C 13 31.977 0.3 . 1 . . . . 198 LYS CB . 26822 1 276 . 1 1 79 79 LYS N N 15 123.030 0.3 . 1 . . . . 198 LYS N . 26822 1 277 . 1 1 80 80 TYR H H 1 8.458 0.020 . 1 . . . . 199 TYR H . 26822 1 278 . 1 1 80 80 TYR C C 13 176.273 0.3 . 1 . . . . 199 TYR C . 26822 1 279 . 1 1 80 80 TYR CA C 13 56.332 0.3 . 1 . . . . 199 TYR CA . 26822 1 280 . 1 1 80 80 TYR CB C 13 39.901 0.3 . 1 . . . . 199 TYR CB . 26822 1 281 . 1 1 80 80 TYR N N 15 116.572 0.3 . 1 . . . . 199 TYR N . 26822 1 282 . 1 1 81 81 SER H H 1 8.661 0.020 . 1 . . . . 200 SER H . 26822 1 283 . 1 1 81 81 SER C C 13 171.718 0.3 . 1 . . . . 200 SER C . 26822 1 284 . 1 1 81 81 SER CA C 13 56.819 0.3 . 1 . . . . 200 SER CA . 26822 1 285 . 1 1 81 81 SER CB C 13 63.907 0.3 . 1 . . . . 200 SER CB . 26822 1 286 . 1 1 81 81 SER N N 15 115.161 0.3 . 1 . . . . 200 SER N . 26822 1 287 . 1 1 82 82 SER H H 1 6.979 0.020 . 1 . . . . 201 SER H . 26822 1 288 . 1 1 82 82 SER C C 13 174.216 0.3 . 1 . . . . 201 SER C . 26822 1 289 . 1 1 82 82 SER CA C 13 56.332 0.3 . 1 . . . . 201 SER CA . 26822 1 290 . 1 1 82 82 SER CB C 13 66.354 0.3 . 1 . . . . 201 SER CB . 26822 1 291 . 1 1 82 82 SER N N 15 112.334 0.3 . 1 . . . . 201 SER N . 26822 1 292 . 1 1 83 83 THR H H 1 8.978 0.020 . 1 . . . . 202 THR H . 26822 1 293 . 1 1 83 83 THR C C 13 175.430 0.3 . 1 . . . . 202 THR C . 26822 1 294 . 1 1 83 83 THR CA C 13 66.937 0.3 . 1 . . . . 202 THR CA . 26822 1 295 . 1 1 83 83 THR CB C 13 68.685 0.3 . 1 . . . . 202 THR CB . 26822 1 296 . 1 1 83 83 THR N N 15 121.768 0.3 . 1 . . . . 202 THR N . 26822 1 297 . 1 1 84 84 GLU H H 1 8.661 0.020 . 1 . . . . 203 GLU H . 26822 1 298 . 1 1 84 84 GLU C C 13 178.604 0.3 . 1 . . . . 203 GLU C . 26822 1 299 . 1 1 84 84 GLU CA C 13 59.828 0.3 . 1 . . . . 203 GLU CA . 26822 1 300 . 1 1 84 84 GLU CB C 13 28.481 0.3 . 1 . . . . 203 GLU CB . 26822 1 301 . 1 1 84 84 GLU N N 15 120.506 0.3 . 1 . . . . 203 GLU N . 26822 1 302 . 1 1 85 85 GLU H H 1 7.027 0.020 . 1 . . . . 204 GLU H . 26822 1 303 . 1 1 85 85 GLU C C 13 179.001 0.3 . 1 . . . . 204 GLU C . 26822 1 304 . 1 1 85 85 GLU CA C 13 58.663 0.3 . 1 . . . . 204 GLU CA . 26822 1 305 . 1 1 85 85 GLU CB C 13 29.996 0.3 . 1 . . . . 204 GLU CB . 26822 1 306 . 1 1 85 85 GLU N N 15 115.978 0.3 . 1 . . . . 204 GLU N . 26822 1 307 . 1 1 86 86 VAL H H 1 7.032 0.020 . 1 . . . . 205 VAL H . 26822 1 308 . 1 1 86 86 VAL C C 13 176.433 0.3 . 1 . . . . 205 VAL C . 26822 1 309 . 1 1 86 86 VAL CA C 13 65.072 0.3 . 1 . . . . 205 VAL CA . 26822 1 310 . 1 1 86 86 VAL CB C 13 31.144 0.3 . 1 . . . . 205 VAL CB . 26822 1 311 . 1 1 86 86 VAL N N 15 120.080 0.3 . 1 . . . . 205 VAL N . 26822 1 312 . 1 1 87 87 LEU H H 1 7.762 0.020 . 1 . . . . 206 LEU H . 26822 1 313 . 1 1 87 87 LEU C C 13 179.911 0.3 . 1 . . . . 206 LEU C . 26822 1 314 . 1 1 87 87 LEU CA C 13 57.381 0.3 . 1 . . . . 206 LEU CA . 26822 1 315 . 1 1 87 87 LEU CB C 13 40.484 0.3 . 1 . . . . 206 LEU CB . 26822 1 316 . 1 1 87 87 LEU N N 15 120.358 0.3 . 1 . . . . 206 LEU N . 26822 1 317 . 1 1 88 88 VAL H H 1 6.750 0.020 . 1 . . . . 207 VAL H . 26822 1 318 . 1 1 88 88 VAL C C 13 177.927 0.3 . 1 . . . . 207 VAL C . 26822 1 319 . 1 1 88 88 VAL CA C 13 65.655 0.3 . 1 . . . . 207 VAL CA . 26822 1 320 . 1 1 88 88 VAL CB C 13 31.162 0.3 . 1 . . . . 207 VAL CB . 26822 1 321 . 1 1 88 88 VAL N N 15 118.799 0.3 . 1 . . . . 207 VAL N . 26822 1 322 . 1 1 89 89 ALA H H 1 6.635 0.020 . 1 . . . . 208 ALA H . 26822 1 323 . 1 1 89 89 ALA C C 13 181.499 0.3 . 1 . . . . 208 ALA C . 26822 1 324 . 1 1 89 89 ALA CA C 13 54.118 0.3 . 1 . . . . 208 ALA CA . 26822 1 325 . 1 1 89 89 ALA CB C 13 19.508 0.3 . 1 . . . . 208 ALA CB . 26822 1 326 . 1 1 89 89 ALA N N 15 120.952 0.3 . 1 . . . . 208 ALA N . 26822 1 327 . 1 1 90 90 ALA H H 1 8.599 0.020 . 1 . . . . 209 ALA H . 26822 1 328 . 1 1 90 90 ALA C C 13 178.091 0.3 . 1 . . . . 209 ALA C . 26822 1 329 . 1 1 90 90 ALA CA C 13 54.597 0.3 . 1 . . . . 209 ALA CA . 26822 1 330 . 1 1 90 90 ALA CB C 13 17.178 0.3 . 1 . . . . 209 ALA CB . 26822 1 331 . 1 1 90 90 ALA N N 15 121.620 0.3 . 1 . . . . 209 ALA N . 26822 1 332 . 1 1 91 91 LYS H H 1 6.741 0.020 . 1 . . . . 210 LYS H . 26822 1 333 . 1 1 91 91 LYS C C 13 177.344 0.3 . 1 . . . . 210 LYS C . 26822 1 334 . 1 1 91 91 LYS CA C 13 57.498 0.3 . 1 . . . . 210 LYS CA . 26822 1 335 . 1 1 91 91 LYS CB C 13 31.861 0.3 . 1 . . . . 210 LYS CB . 26822 1 336 . 1 1 91 91 LYS N N 15 112.934 0.3 . 1 . . . . 210 LYS N . 26822 1 337 . 1 1 92 92 LYS H H 1 6.944 0.020 . 1 . . . . 211 LYS H . 26822 1 338 . 1 1 92 92 LYS C C 13 176.620 0.3 . 1 . . . . 211 LYS C . 26822 1 339 . 1 1 92 92 LYS CA C 13 55.284 0.3 . 1 . . . . 211 LYS CA . 26822 1 340 . 1 1 92 92 LYS CB C 13 32.367 0.3 . 1 . . . . 211 LYS CB . 26822 1 341 . 1 1 92 92 LYS N N 15 116.201 0.3 . 1 . . . . 211 LYS N . 26822 1 342 . 1 1 93 93 ILE H H 1 6.820 0.020 . 1 . . . . 212 ILE H . 26822 1 343 . 1 1 93 93 ILE C C 13 175.290 0.3 . 1 . . . . 212 ILE C . 26822 1 344 . 1 1 93 93 ILE CA C 13 62.742 0.3 . 1 . . . . 212 ILE CA . 26822 1 345 . 1 1 93 93 ILE CB C 13 36.988 0.3 . 1 . . . . 212 ILE CB . 26822 1 346 . 1 1 93 93 ILE N N 15 121.472 0.3 . 1 . . . . 212 ILE N . 26822 1 347 . 1 1 94 94 VAL H H 1 8.167 0.020 . 1 . . . . 213 VAL H . 26822 1 348 . 1 1 94 94 VAL C C 13 173.726 0.3 . 1 . . . . 213 VAL C . 26822 1 349 . 1 1 94 94 VAL CA C 13 59.246 0.3 . 1 . . . . 213 VAL CA . 26822 1 350 . 1 1 94 94 VAL CB C 13 33.058 0.3 . 1 . . . . 213 VAL CB . 26822 1 351 . 1 1 94 94 VAL N N 15 129.044 0.3 . 1 . . . . 213 VAL N . 26822 1 352 . 1 1 95 95 GLN H H 1 7.331 0.020 . 1 . . . . 214 GLN H . 26822 1 353 . 1 1 95 95 GLN C C 13 177.250 0.3 . 1 . . . . 214 GLN C . 26822 1 354 . 1 1 95 95 GLN CA C 13 55.167 0.3 . 1 . . . . 214 GLN CA . 26822 1 355 . 1 1 95 95 GLN CB C 13 26.617 0.3 . 1 . . . . 214 GLN CB . 26822 1 356 . 1 1 95 95 GLN N N 15 124.589 0.3 . 1 . . . . 214 GLN N . 26822 1 357 . 1 1 96 96 ARG H H 1 9.242 0.020 . 1 . . . . 215 ARG H . 26822 1 358 . 1 1 96 96 ARG C C 13 177.764 0.3 . 1 . . . . 215 ARG C . 26822 1 359 . 1 1 96 96 ARG CA C 13 56.915 0.3 . 1 . . . . 215 ARG CA . 26822 1 360 . 1 1 96 96 ARG CB C 13 29.414 0.3 . 1 . . . . 215 ARG CB . 26822 1 361 . 1 1 96 96 ARG N N 15 129.860 0.3 . 1 . . . . 215 ARG N . 26822 1 362 . 1 1 97 97 GLY H H 1 7.094 0.020 . 1 . . . . 216 GLY H . 26822 1 363 . 1 1 97 97 GLY C C 13 173.679 0.3 . 1 . . . . 216 GLY C . 26822 1 364 . 1 1 97 97 GLY CA C 13 45.145 0.3 . 1 . . . . 216 GLY CA . 26822 1 365 . 1 1 97 97 GLY N N 15 108.222 0.3 . 1 . . . . 216 GLY N . 26822 1 366 . 1 1 98 98 GLY H H 1 7.399 0.020 . 1 . . . . 217 GLY H . 26822 1 367 . 1 1 98 98 GLY C C 13 173.656 0.3 . 1 . . . . 217 GLY C . 26822 1 368 . 1 1 98 98 GLY CA C 13 44.679 0.3 . 1 . . . . 217 GLY CA . 26822 1 369 . 1 1 98 98 GLY N N 15 106.804 0.3 . 1 . . . . 217 GLY N . 26822 1 370 . 1 1 100 100 GLN H H 1 7.299 0.020 . 1 . . . . 219 GLN H . 26822 1 371 . 1 1 100 100 GLN C C 13 174.029 0.3 . 1 . . . . 219 GLN C . 26822 1 372 . 1 1 100 100 GLN CA C 13 51.205 0.3 . 1 . . . . 219 GLN CA . 26822 1 373 . 1 1 100 100 GLN N N 15 117.483 0.3 . 1 . . . . 219 GLN N . 26822 1 374 . 1 1 106 106 GLY H H 1 8.167 0.020 . 1 . . . . 225 GLY H . 26822 1 375 . 1 1 106 106 GLY C C 13 173.936 0.3 . 1 . . . . 225 GLY C . 26822 1 376 . 1 1 106 106 GLY CA C 13 46.660 0.3 . 1 . . . . 225 GLY CA . 26822 1 377 . 1 1 106 106 GLY N N 15 110.784 0.3 . 1 . . . . 225 GLY N . 26822 1 378 . 1 1 107 107 ILE H H 1 7.921 0.020 . 1 . . . . 226 ILE H . 26822 1 379 . 1 1 107 107 ILE C C 13 177.437 0.3 . 1 . . . . 226 ILE C . 26822 1 380 . 1 1 107 107 ILE CA C 13 65.631 0.3 . 1 . . . . 226 ILE CA . 26822 1 381 . 1 1 107 107 ILE CB C 13 38.232 0.3 . 1 . . . . 226 ILE CB . 26822 1 382 . 1 1 107 107 ILE N N 15 121.472 0.3 . 1 . . . . 226 ILE N . 26822 1 383 . 1 1 108 108 ASP H H 1 8.546 0.020 . 1 . . . . 227 ASP H . 26822 1 384 . 1 1 108 108 ASP C C 13 178.651 0.3 . 1 . . . . 227 ASP C . 26822 1 385 . 1 1 108 108 ASP CA C 13 57.032 0.3 . 1 . . . . 227 ASP CA . 26822 1 386 . 1 1 108 108 ASP CB C 13 42.232 0.3 . 1 . . . . 227 ASP CB . 26822 1 387 . 1 1 108 108 ASP N N 15 119.838 0.3 . 1 . . . . 227 ASP N . 26822 1 388 . 1 1 109 109 THR H H 1 8.074 0.020 . 1 . . . . 228 THR H . 26822 1 389 . 1 1 109 109 THR CA C 13 66.937 0.3 . 1 . . . . 228 THR CA . 26822 1 390 . 1 1 109 109 THR CB C 13 67.636 0.3 . 1 . . . . 228 THR CB . 26822 1 391 . 1 1 109 109 THR N N 15 113.751 0.3 . 1 . . . . 228 THR N . 26822 1 392 . 1 1 110 110 ALA H H 1 7.859 0.020 . 1 . . . . 229 ALA H . 26822 1 393 . 1 1 110 110 ALA C C 13 178.114 0.3 . 1 . . . . 229 ALA C . 26822 1 394 . 1 1 110 110 ALA CA C 13 55.167 0.3 . 1 . . . . 229 ALA CA . 26822 1 395 . 1 1 110 110 ALA CB C 13 17.760 0.3 . 1 . . . . 229 ALA CB . 26822 1 396 . 1 1 110 110 ALA N N 15 126.371 0.3 . 1 . . . . 229 ALA N . 26822 1 397 . 1 1 111 111 ARG H H 1 8.256 0.020 . 1 . . . . 230 ARG H . 26822 1 398 . 1 1 111 111 ARG C C 13 177.250 0.3 . 1 . . . . 230 ARG C . 26822 1 399 . 1 1 111 111 ARG CA C 13 60.411 0.3 . 1 . . . . 230 ARG CA . 26822 1 400 . 1 1 111 111 ARG CB C 13 29.180 0.3 . 1 . . . . 230 ARG CB . 26822 1 401 . 1 1 111 111 ARG N N 15 117.908 0.3 . 1 . . . . 230 ARG N . 26822 1 402 . 1 1 112 112 LYS H H 1 8.141 0.020 . 1 . . . . 231 LYS H . 26822 1 403 . 1 1 112 112 LYS C C 13 176.994 0.3 . 1 . . . . 231 LYS C . 26822 1 404 . 1 1 112 112 LYS CA C 13 58.080 0.3 . 1 . . . . 231 LYS CA . 26822 1 405 . 1 1 112 112 LYS CB C 13 33.492 0.3 . 1 . . . . 231 LYS CB . 26822 1 406 . 1 1 112 112 LYS N N 15 114.493 0.3 . 1 . . . . 231 LYS N . 26822 1 407 . 1 1 113 113 GLU H H 1 8.115 0.020 . 1 . . . . 232 GLU H . 26822 1 408 . 1 1 113 113 GLU C C 13 177.390 0.3 . 1 . . . . 232 GLU C . 26822 1 409 . 1 1 113 113 GLU CA C 13 56.449 0.3 . 1 . . . . 232 GLU CA . 26822 1 410 . 1 1 113 113 GLU CB C 13 31.861 0.3 . 1 . . . . 232 GLU CB . 26822 1 411 . 1 1 113 113 GLU N N 15 113.751 0.3 . 1 . . . . 232 GLU N . 26822 1 412 . 1 1 114 114 ALA H H 1 7.833 0.020 . 1 . . . . 233 ALA H . 26822 1 413 . 1 1 114 114 ALA C C 13 177.857 0.3 . 1 . . . . 233 ALA C . 26822 1 414 . 1 1 114 114 ALA CA C 13 55.167 0.3 . 1 . . . . 233 ALA CA . 26822 1 415 . 1 1 114 114 ALA CB C 13 18.926 0.3 . 1 . . . . 233 ALA CB . 26822 1 416 . 1 1 114 114 ALA N N 15 122.132 0.3 . 1 . . . . 233 ALA N . 26822 1 417 . 1 1 115 115 PHE H H 1 6.855 0.020 . 1 . . . . 234 PHE H . 26822 1 418 . 1 1 115 115 PHE C C 13 174.986 0.3 . 1 . . . . 234 PHE C . 26822 1 419 . 1 1 115 115 PHE CA C 13 57.148 0.3 . 1 . . . . 234 PHE CA . 26822 1 420 . 1 1 115 115 PHE CB C 13 36.405 0.3 . 1 . . . . 234 PHE CB . 26822 1 421 . 1 1 115 115 PHE N N 15 113.596 0.3 . 1 . . . . 234 PHE N . 26822 1 422 . 1 1 116 116 THR H H 1 6.750 0.020 . 1 . . . . 235 THR H . 26822 1 423 . 1 1 116 116 THR C C 13 176.340 0.3 . 1 . . . . 235 THR C . 26822 1 424 . 1 1 116 116 THR CA C 13 58.780 0.3 . 1 . . . . 235 THR CA . 26822 1 425 . 1 1 116 116 THR CB C 13 71.598 0.3 . 1 . . . . 235 THR CB . 26822 1 426 . 1 1 116 116 THR N N 15 107.292 0.3 . 1 . . . . 235 THR N . 26822 1 427 . 1 1 117 117 GLU H H 1 8.883 0.020 . 1 . . . . 236 GLU H . 26822 1 428 . 1 1 117 117 GLU C C 13 180.612 0.3 . 1 . . . . 236 GLU C . 26822 1 429 . 1 1 117 117 GLU CB C 13 29.439 0.3 . 1 . . . . 236 GLU CB . 26822 1 430 . 1 1 117 117 GLU N N 15 126.864 0.3 . 1 . . . . 236 GLU N . 26822 1 431 . 1 1 118 118 ALA H H 1 8.274 0.020 . 1 . . . . 237 ALA H . 26822 1 432 . 1 1 118 118 ALA C C 13 179.048 0.3 . 1 . . . . 237 ALA C . 26822 1 433 . 1 1 118 118 ALA CA C 13 54.002 0.3 . 1 . . . . 237 ALA CA . 26822 1 434 . 1 1 118 118 ALA CB C 13 17.760 0.3 . 1 . . . . 237 ALA CB . 26822 1 435 . 1 1 118 118 ALA N N 15 121.895 0.3 . 1 . . . . 237 ALA N . 26822 1 436 . 1 1 119 119 ARG H H 1 6.803 0.020 . 1 . . . . 238 ARG H . 26822 1 437 . 1 1 119 119 ARG C C 13 173.702 0.3 . 1 . . . . 238 ARG C . 26822 1 438 . 1 1 119 119 ARG CA C 13 55.866 0.3 . 1 . . . . 238 ARG CA . 26822 1 439 . 1 1 119 119 ARG CB C 13 28.902 0.3 . 1 . . . . 238 ARG CB . 26822 1 440 . 1 1 119 119 ARG N N 15 115.607 0.3 . 1 . . . . 238 ARG N . 26822 1 441 . 1 1 120 120 GLY H H 1 7.216 0.020 . 1 . . . . 239 GLY H . 26822 1 442 . 1 1 120 120 GLY C C 13 173.847 0.3 . 1 . . . . 239 GLY C . 26822 1 443 . 1 1 120 120 GLY CA C 13 45.262 0.3 . 1 . . . . 239 GLY CA . 26822 1 444 . 1 1 120 120 GLY N N 15 103.284 0.3 . 1 . . . . 239 GLY N . 26822 1 445 . 1 1 121 121 ALA H H 1 7.542 0.020 . 1 . . . . 240 ALA H . 26822 1 446 . 1 1 121 121 ALA C C 13 177.881 0.3 . 1 . . . . 240 ALA C . 26822 1 447 . 1 1 121 121 ALA CA C 13 52.254 0.3 . 1 . . . . 240 ALA CA . 26822 1 448 . 1 1 121 121 ALA CB C 13 17.178 0.3 . 1 . . . . 240 ALA CB . 26822 1 449 . 1 1 121 121 ALA N N 15 124.738 0.3 . 1 . . . . 240 ALA N . 26822 1 450 . 1 1 122 122 ARG H H 1 9.172 0.020 . 1 . . . . 241 ARG H . 26822 1 451 . 1 1 122 122 ARG C C 13 176.387 0.3 . 1 . . . . 241 ARG C . 26822 1 452 . 1 1 122 122 ARG CA C 13 54.584 0.3 . 1 . . . . 241 ARG CA . 26822 1 453 . 1 1 122 122 ARG CB C 13 31.744 0.3 . 1 . . . . 241 ARG CB . 26822 1 454 . 1 1 122 122 ARG N N 15 126.445 0.3 . 1 . . . . 241 ARG N . 26822 1 455 . 1 1 123 123 ARG H H 1 8.308 0.020 . 1 . . . . 242 ARG H . 26822 1 456 . 1 1 123 123 ARG C C 13 177.974 0.3 . 1 . . . . 242 ARG C . 26822 1 457 . 1 1 123 123 ARG CA C 13 56.915 0.3 . 1 . . . . 242 ARG CA . 26822 1 458 . 1 1 123 123 ARG CB C 13 29.414 0.3 . 1 . . . . 242 ARG CB . 26822 1 459 . 1 1 123 123 ARG N N 15 125.035 0.3 . 1 . . . . 242 ARG N . 26822 1 460 . 1 1 124 124 GLY H H 1 8.712 0.020 . 1 . . . . 243 GLY H . 26822 1 461 . 1 1 124 124 GLY C C 13 179.169 0.3 . 1 . . . . 243 GLY C . 26822 1 462 . 1 1 124 124 GLY CA C 13 45.448 0.3 . 1 . . . . 243 GLY CA . 26822 1 463 . 1 1 124 124 GLY N N 15 113.818 0.3 . 1 . . . . 243 GLY N . 26822 1 464 . 1 1 125 125 VAL H H 1 7.032 0.020 . 1 . . . . 244 VAL H . 26822 1 465 . 1 1 125 125 VAL C C 13 175.756 0.3 . 1 . . . . 244 VAL C . 26822 1 466 . 1 1 125 125 VAL CA C 13 60.994 0.3 . 1 . . . . 244 VAL CA . 26822 1 467 . 1 1 125 125 VAL CB C 13 31.162 0.3 . 1 . . . . 244 VAL CB . 26822 1 468 . 1 1 125 125 VAL N N 15 119.881 0.3 . 1 . . . . 244 VAL N . 26822 1 469 . 1 1 126 126 LYS H H 1 8.097 0.020 . 1 . . . . 245 LYS H . 26822 1 470 . 1 1 126 126 LYS C C 13 173.819 0.3 . 1 . . . . 245 LYS C . 26822 1 471 . 1 1 126 126 LYS CA C 13 56.915 0.3 . 1 . . . . 245 LYS CA . 26822 1 472 . 1 1 126 126 LYS CB C 13 32.560 0.3 . 1 . . . . 245 LYS CB . 26822 1 473 . 1 1 126 126 LYS N N 15 129.563 0.3 . 1 . . . . 245 LYS N . 26822 1 474 . 1 1 127 127 LYS H H 1 8.071 0.020 . 1 . . . . 246 LYS H . 26822 1 475 . 1 1 127 127 LYS C C 13 175.967 0.3 . 1 . . . . 246 LYS C . 26822 1 476 . 1 1 127 127 LYS CA C 13 54.701 0.3 . 1 . . . . 246 LYS CA . 26822 1 477 . 1 1 127 127 LYS CB C 13 34.191 0.3 . 1 . . . . 246 LYS CB . 26822 1 478 . 1 1 127 127 LYS N N 15 125.154 0.3 . 1 . . . . 246 LYS N . 26822 1 479 . 1 1 128 128 VAL H H 1 8.705 0.020 . 1 . . . . 247 VAL H . 26822 1 480 . 1 1 128 128 VAL C C 13 173.586 0.3 . 1 . . . . 247 VAL C . 26822 1 481 . 1 1 128 128 VAL CA C 13 59.945 0.3 . 1 . . . . 247 VAL CA . 26822 1 482 . 1 1 128 128 VAL CB C 13 35.823 0.3 . 1 . . . . 247 VAL CB . 26822 1 483 . 1 1 128 128 VAL N N 15 123.996 0.3 . 1 . . . . 247 VAL N . 26822 1 484 . 1 1 129 129 MET H H 1 9.427 0.020 . 1 . . . . 248 MET H . 26822 1 485 . 1 1 129 129 MET C C 13 174.846 0.3 . 1 . . . . 248 MET C . 26822 1 486 . 1 1 129 129 MET CA C 13 53.069 0.3 . 1 . . . . 248 MET CA . 26822 1 487 . 1 1 129 129 MET CB C 13 38.386 0.3 . 1 . . . . 248 MET CB . 26822 1 488 . 1 1 129 129 MET N N 15 127.410 0.3 . 1 . . . . 248 MET N . 26822 1 489 . 1 1 130 130 VAL H H 1 8.233 0.020 . 1 . . . . 249 VAL H . 26822 1 490 . 1 1 130 130 VAL C C 13 173.796 0.3 . 1 . . . . 249 VAL C . 26822 1 491 . 1 1 130 130 VAL CA C 13 60.411 0.3 . 1 . . . . 249 VAL CA . 26822 1 492 . 1 1 130 130 VAL CB C 13 33.492 0.3 . 1 . . . . 249 VAL CB . 26822 1 493 . 1 1 130 130 VAL N N 15 125.907 0.3 . 1 . . . . 249 VAL N . 26822 1 494 . 1 1 131 131 ILE H H 1 8.872 0.020 . 1 . . . . 250 ILE H . 26822 1 495 . 1 1 131 131 ILE C C 13 173.796 0.3 . 1 . . . . 250 ILE C . 26822 1 496 . 1 1 131 131 ILE CA C 13 60.447 0.3 . 1 . . . . 250 ILE CA . 26822 1 497 . 1 1 131 131 ILE CB C 13 41.067 0.3 . 1 . . . . 250 ILE CB . 26822 1 498 . 1 1 131 131 ILE N N 15 129.266 0.3 . 1 . . . . 250 ILE N . 26822 1 499 . 1 1 132 132 VAL H H 1 8.203 0.020 . 1 . . . . 251 VAL H . 26822 1 500 . 1 1 132 132 VAL C C 13 171.998 0.3 . 1 . . . . 251 VAL C . 26822 1 501 . 1 1 132 132 VAL CA C 13 55.190 0.3 . 1 . . . . 251 VAL CA . 26822 1 502 . 1 1 132 132 VAL CB C 13 31.590 0.3 . 1 . . . . 251 VAL CB . 26822 1 503 . 1 1 132 132 VAL N N 15 127.188 0.3 . 1 . . . . 251 VAL N . 26822 1 504 . 1 1 142 142 ARG H H 1 7.047 0.020 . 1 . . . . 261 ARG H . 26822 1 505 . 1 1 142 142 ARG CA C 13 55.633 0.3 . 1 . . . . 261 ARG CA . 26822 1 506 . 1 1 142 142 ARG CB C 13 30.975 0.3 . 1 . . . . 261 ARG CB . 26822 1 507 . 1 1 142 142 ARG N N 15 119.070 0.3 . 1 . . . . 261 ARG N . 26822 1 508 . 1 1 143 143 LEU H H 1 6.999 0.020 . 1 . . . . 262 LEU H . 26822 1 509 . 1 1 143 143 LEU C C 13 176.765 0.3 . 1 . . . . 262 LEU C . 26822 1 510 . 1 1 143 143 LEU CA C 13 58.078 0.3 . 1 . . . . 262 LEU CA . 26822 1 511 . 1 1 143 143 LEU CB C 13 41.712 0.3 . 1 . . . . 262 LEU CB . 26822 1 512 . 1 1 143 143 LEU N N 15 120.210 0.3 . 1 . . . . 262 LEU N . 26822 1 513 . 1 1 144 144 LYS H H 1 8.079 0.020 . 1 . . . . 263 LYS H . 26822 1 514 . 1 1 144 144 LYS C C 13 179.128 0.3 . 1 . . . . 263 LYS C . 26822 1 515 . 1 1 144 144 LYS CA C 13 59.828 0.3 . 1 . . . . 263 LYS CA . 26822 1 516 . 1 1 144 144 LYS CB C 13 31.162 0.3 . 1 . . . . 263 LYS CB . 26822 1 517 . 1 1 144 144 LYS N N 15 118.057 0.3 . 1 . . . . 263 LYS N . 26822 1 518 . 1 1 145 145 LYS H H 1 7.489 0.020 . 1 . . . . 264 LYS H . 26822 1 519 . 1 1 145 145 LYS C C 13 177.174 0.3 . 1 . . . . 264 LYS C . 26822 1 520 . 1 1 145 145 LYS CA C 13 57.614 0.3 . 1 . . . . 264 LYS CA . 26822 1 521 . 1 1 145 145 LYS CB C 13 31.271 0.3 . 1 . . . . 264 LYS CB . 26822 1 522 . 1 1 145 145 LYS N N 15 120.878 0.3 . 1 . . . . 264 LYS N . 26822 1 523 . 1 1 146 146 VAL H H 1 7.454 0.020 . 1 . . . . 265 VAL H . 26822 1 524 . 1 1 146 146 VAL C C 13 179.447 0.3 . 1 . . . . 265 VAL C . 26822 1 525 . 1 1 146 146 VAL CA C 13 65.189 0.3 . 1 . . . . 265 VAL CA . 26822 1 526 . 1 1 146 146 VAL CB C 13 31.744 0.3 . 1 . . . . 265 VAL CB . 26822 1 527 . 1 1 146 146 VAL N N 15 119.022 0.3 . 1 . . . . 265 VAL N . 26822 1 528 . 1 1 147 147 ILE H H 1 8.423 0.020 . 1 . . . . 266 ILE H . 26822 1 529 . 1 1 147 147 ILE C C 13 177.628 0.3 . 1 . . . . 266 ILE C . 26822 1 530 . 1 1 147 147 ILE CA C 13 63.324 0.3 . 1 . . . . 266 ILE CA . 26822 1 531 . 1 1 147 147 ILE CB C 13 35.240 0.3 . 1 . . . . 266 ILE CB . 26822 1 532 . 1 1 147 147 ILE N N 15 121.249 0.3 . 1 . . . . 266 ILE N . 26822 1 533 . 1 1 148 148 GLN H H 1 7.595 0.020 . 1 . . . . 267 GLN H . 26822 1 534 . 1 1 148 148 GLN C C 13 178.128 0.3 . 1 . . . . 267 GLN C . 26822 1 535 . 1 1 148 148 GLN CA C 13 58.080 0.3 . 1 . . . . 267 GLN CA . 26822 1 536 . 1 1 148 148 GLN CB C 13 27.199 0.3 . 1 . . . . 267 GLN CB . 26822 1 537 . 1 1 148 148 GLN N N 15 122.214 0.3 . 1 . . . . 267 GLN N . 26822 1 538 . 1 1 149 149 ASP H H 1 8.247 0.020 . 1 . . . . 268 ASP H . 26822 1 539 . 1 1 149 149 ASP C C 13 179.310 0.3 . 1 . . . . 268 ASP C . 26822 1 540 . 1 1 149 149 ASP CA C 13 57.498 0.3 . 1 . . . . 268 ASP CA . 26822 1 541 . 1 1 149 149 ASP CB C 13 38.736 0.3 . 1 . . . . 268 ASP CB . 26822 1 542 . 1 1 149 149 ASP N N 15 120.432 0.3 . 1 . . . . 268 ASP N . 26822 1 543 . 1 1 150 150 CYS H H 1 7.401 0.020 . 1 . . . . 269 CYS H . 26822 1 544 . 1 1 150 150 CYS C C 13 176.583 0.3 . 1 . . . . 269 CYS C . 26822 1 545 . 1 1 150 150 CYS CA C 13 63.907 0.3 . 1 . . . . 269 CYS CA . 26822 1 546 . 1 1 150 150 CYS CB C 13 27.083 0.3 . 1 . . . . 269 CYS CB . 26822 1 547 . 1 1 150 150 CYS N N 15 116.795 0.3 . 1 . . . . 269 CYS N . 26822 1 548 . 1 1 151 151 GLU H H 1 8.269 0.020 . 1 . . . . 270 GLU H . 26822 1 549 . 1 1 151 151 GLU C C 13 180.674 0.3 . 1 . . . . 270 GLU C . 26822 1 550 . 1 1 151 151 GLU CA C 13 58.663 0.3 . 1 . . . . 270 GLU CA . 26822 1 551 . 1 1 151 151 GLU CB C 13 28.365 0.3 . 1 . . . . 270 GLU CB . 26822 1 552 . 1 1 151 151 GLU N N 15 124.178 0.3 . 1 . . . . 270 GLU N . 26822 1 553 . 1 1 152 152 ASP H H 1 8.555 0.020 . 1 . . . . 271 ASP H . 26822 1 554 . 1 1 152 152 ASP C C 13 177.460 0.3 . 1 . . . . 271 ASP C . 26822 1 555 . 1 1 152 152 ASP CA C 13 56.332 0.3 . 1 . . . . 271 ASP CA . 26822 1 556 . 1 1 152 152 ASP CB C 13 39.319 0.3 . 1 . . . . 271 ASP CB . 26822 1 557 . 1 1 152 152 ASP N N 15 122.734 0.3 . 1 . . . . 271 ASP N . 26822 1 558 . 1 1 153 153 GLU H H 1 6.785 0.020 . 1 . . . . 272 GLU H . 26822 1 559 . 1 1 153 153 GLU C C 13 174.566 0.3 . 1 . . . . 272 GLU C . 26822 1 560 . 1 1 153 153 GLU CA C 13 55.750 0.3 . 1 . . . . 272 GLU CA . 26822 1 561 . 1 1 153 153 GLU CB C 13 28.947 0.3 . 1 . . . . 272 GLU CB . 26822 1 562 . 1 1 153 153 GLU N N 15 117.537 0.3 . 1 . . . . 272 GLU N . 26822 1 563 . 1 1 154 154 ASN H H 1 7.745 0.020 . 1 . . . . 273 ASN H . 26822 1 564 . 1 1 154 154 ASN C C 13 174.654 0.3 . 1 . . . . 273 ASN C . 26822 1 565 . 1 1 154 154 ASN CA C 13 54.002 0.3 . 1 . . . . 273 ASN CA . 26822 1 566 . 1 1 154 154 ASN CB C 13 36.405 0.3 . 1 . . . . 273 ASN CB . 26822 1 567 . 1 1 154 154 ASN N N 15 115.161 0.3 . 1 . . . . 273 ASN N . 26822 1 568 . 1 1 155 155 ILE H H 1 7.393 0.020 . 1 . . . . 274 ILE H . 26822 1 569 . 1 1 155 155 ILE C C 13 174.869 0.3 . 1 . . . . 274 ILE C . 26822 1 570 . 1 1 155 155 ILE CA C 13 60.994 0.3 . 1 . . . . 274 ILE CA . 26822 1 571 . 1 1 155 155 ILE CB C 13 38.270 0.3 . 1 . . . . 274 ILE CB . 26822 1 572 . 1 1 155 155 ILE N N 15 119.913 0.3 . 1 . . . . 274 ILE N . 26822 1 573 . 1 1 156 156 GLN H H 1 7.947 0.020 . 1 . . . . 275 GLN H . 26822 1 574 . 1 1 156 156 GLN C C 13 175.033 0.3 . 1 . . . . 275 GLN C . 26822 1 575 . 1 1 156 156 GLN CA C 13 55.633 0.3 . 1 . . . . 275 GLN CA . 26822 1 576 . 1 1 156 156 GLN CB C 13 28.831 0.3 . 1 . . . . 275 GLN CB . 26822 1 577 . 1 1 156 156 GLN N N 15 132.904 0.3 . 1 . . . . 275 GLN N . 26822 1 578 . 1 1 157 157 ARG H H 1 8.853 0.020 . 1 . . . . 276 ARG H . 26822 1 579 . 1 1 157 157 ARG C C 13 175.220 0.3 . 1 . . . . 276 ARG C . 26822 1 580 . 1 1 157 157 ARG CA C 13 55.116 0.3 . 1 . . . . 276 ARG CA . 26822 1 581 . 1 1 157 157 ARG CB C 13 30.605 0.3 . 1 . . . . 276 ARG CB . 26822 1 582 . 1 1 157 157 ARG N N 15 125.509 0.3 . 1 . . . . 276 ARG N . 26822 1 583 . 1 1 158 158 PHE H H 1 8.898 0.020 . 1 . . . . 277 PHE H . 26822 1 584 . 1 1 158 158 PHE C C 13 175.103 0.3 . 1 . . . . 277 PHE C . 26822 1 585 . 1 1 158 158 PHE CA C 13 56.332 0.3 . 1 . . . . 277 PHE CA . 26822 1 586 . 1 1 158 158 PHE CB C 13 41.183 0.3 . 1 . . . . 277 PHE CB . 26822 1 587 . 1 1 158 158 PHE N N 15 123.105 0.3 . 1 . . . . 277 PHE N . 26822 1 588 . 1 1 159 159 SER H H 1 9.189 0.020 . 1 . . . . 278 SER H . 26822 1 589 . 1 1 159 159 SER C C 13 171.532 0.3 . 1 . . . . 278 SER C . 26822 1 590 . 1 1 159 159 SER CA C 13 55.167 0.3 . 1 . . . . 278 SER CA . 26822 1 591 . 1 1 159 159 SER CB C 13 66.820 0.3 . 1 . . . . 278 SER CB . 26822 1 592 . 1 1 159 159 SER N N 15 118.131 0.3 . 1 . . . . 278 SER N . 26822 1 593 . 1 1 160 160 ILE H H 1 8.625 0.020 . 1 . . . . 279 ILE H . 26822 1 594 . 1 1 160 160 ILE C C 13 173.539 0.3 . 1 . . . . 279 ILE C . 26822 1 595 . 1 1 160 160 ILE CA C 13 59.364 0.3 . 1 . . . . 279 ILE CA . 26822 1 596 . 1 1 160 160 ILE CB C 13 39.905 0.3 . 1 . . . . 279 ILE CB . 26822 1 597 . 1 1 160 160 ILE N N 15 123.253 0.3 . 1 . . . . 279 ILE N . 26822 1 598 . 1 1 161 161 ALA H H 1 8.194 0.020 . 1 . . . . 280 ALA H . 26822 1 599 . 1 1 161 161 ALA C C 13 175.523 0.3 . 1 . . . . 280 ALA C . 26822 1 600 . 1 1 161 161 ALA CA C 13 49.340 0.3 . 1 . . . . 280 ALA CA . 26822 1 601 . 1 1 161 161 ALA CB C 13 19.497 0.3 . 1 . . . . 280 ALA CB . 26822 1 602 . 1 1 161 161 ALA N N 15 127.703 0.3 . 1 . . . . 280 ALA N . 26822 1 603 . 1 1 162 162 ILE H H 1 8.472 0.020 . 1 . . . . 281 ILE H . 26822 1 604 . 1 1 162 162 ILE C C 13 177.180 0.3 . 1 . . . . 281 ILE C . 26822 1 605 . 1 1 162 162 ILE CA C 13 54.597 0.3 . 1 . . . . 281 ILE CA . 26822 1 606 . 1 1 162 162 ILE CB C 13 32.974 0.3 . 1 . . . . 281 ILE CB . 26822 1 607 . 1 1 162 162 ILE N N 15 123.536 0.3 . 1 . . . . 281 ILE N . 26822 1 608 . 1 1 163 163 LEU H H 1 8.395 0.020 . 1 . . . . 282 LEU H . 26822 1 609 . 1 1 163 163 LEU CA C 13 56.301 0.3 . 1 . . . . 282 LEU CA . 26822 1 610 . 1 1 163 163 LEU CB C 13 41.105 0.3 . 1 . . . . 282 LEU CB . 26822 1 611 . 1 1 163 163 LEU N N 15 126.634 0.3 . 1 . . . . 282 LEU N . 26822 1 612 . 1 1 174 174 GLU H H 1 7.785 0.020 . 1 . . . . 293 GLU H . 26822 1 613 . 1 1 174 174 GLU C C 13 178.436 0.3 . 1 . . . . 293 GLU C . 26822 1 614 . 1 1 174 174 GLU CA C 13 60.003 0.3 . 1 . . . . 293 GLU CA . 26822 1 615 . 1 1 174 174 GLU CB C 13 28.828 0.3 . 1 . . . . 293 GLU CB . 26822 1 616 . 1 1 174 174 GLU N N 15 122.642 0.3 . 1 . . . . 293 GLU N . 26822 1 617 . 1 1 175 175 LYS H H 1 7.940 0.020 . 1 . . . . 294 LYS H . 26822 1 618 . 1 1 175 175 LYS C C 13 178.931 0.3 . 1 . . . . 294 LYS C . 26822 1 619 . 1 1 175 175 LYS CA C 13 58.663 0.3 . 1 . . . . 294 LYS CA . 26822 1 620 . 1 1 175 175 LYS CB C 13 31.162 0.3 . 1 . . . . 294 LYS CB . 26822 1 621 . 1 1 175 175 LYS N N 15 120.134 0.3 . 1 . . . . 294 LYS N . 26822 1 622 . 1 1 176 176 PHE H H 1 7.824 0.020 . 1 . . . . 295 PHE H . 26822 1 623 . 1 1 176 176 PHE C C 13 176.013 0.3 . 1 . . . . 295 PHE C . 26822 1 624 . 1 1 176 176 PHE CA C 13 58.684 0.3 . 1 . . . . 295 PHE CA . 26822 1 625 . 1 1 176 176 PHE CB C 13 38.432 0.3 . 1 . . . . 295 PHE CB . 26822 1 626 . 1 1 176 176 PHE N N 15 122.437 0.3 . 1 . . . . 295 PHE N . 26822 1 627 . 1 1 177 177 VAL H H 1 8.115 0.020 . 1 . . . . 296 VAL H . 26822 1 628 . 1 1 177 177 VAL C C 13 177.265 0.3 . 1 . . . . 296 VAL C . 26822 1 629 . 1 1 177 177 VAL CA C 13 66.937 0.3 . 1 . . . . 296 VAL CA . 26822 1 630 . 1 1 177 177 VAL CB C 13 30.579 0.3 . 1 . . . . 296 VAL CB . 26822 1 631 . 1 1 177 177 VAL N N 15 119.096 0.3 . 1 . . . . 296 VAL N . 26822 1 632 . 1 1 178 178 GLU H H 1 7.428 0.020 . 1 . . . . 297 GLU H . 26822 1 633 . 1 1 178 178 GLU C C 13 178.931 0.3 . 1 . . . . 297 GLU C . 26822 1 634 . 1 1 178 178 GLU CA C 13 58.780 0.3 . 1 . . . . 297 GLU CA . 26822 1 635 . 1 1 178 178 GLU CB C 13 28.831 0.3 . 1 . . . . 297 GLU CB . 26822 1 636 . 1 1 178 178 GLU N N 15 117.908 0.3 . 1 . . . . 297 GLU N . 26822 1 637 . 1 1 179 179 GLU H H 1 7.727 0.020 . 1 . . . . 298 GLU H . 26822 1 638 . 1 1 179 179 GLU C C 13 179.211 0.3 . 1 . . . . 298 GLU C . 26822 1 639 . 1 1 179 179 GLU CA C 13 59.353 0.3 . 1 . . . . 298 GLU CA . 26822 1 640 . 1 1 179 179 GLU CB C 13 29.245 0.3 . 1 . . . . 298 GLU CB . 26822 1 641 . 1 1 179 179 GLU N N 15 121.917 0.3 . 1 . . . . 298 GLU N . 26822 1 642 . 1 1 180 180 ILE H H 1 7.909 0.020 . 1 . . . . 299 ILE H . 26822 1 643 . 1 1 180 180 ILE C C 13 180.331 0.3 . 1 . . . . 299 ILE C . 26822 1 644 . 1 1 180 180 ILE CA C 13 61.576 0.3 . 1 . . . . 299 ILE CA . 26822 1 645 . 1 1 180 180 ILE CB C 13 32.974 0.3 . 1 . . . . 299 ILE CB . 26822 1 646 . 1 1 180 180 ILE N N 15 120.033 0.3 . 1 . . . . 299 ILE N . 26822 1 647 . 1 1 181 181 LYS H H 1 8.273 0.020 . 1 . . . . 300 LYS H . 26822 1 648 . 1 1 181 181 LYS C C 13 178.231 0.3 . 1 . . . . 300 LYS C . 26822 1 649 . 1 1 181 181 LYS CA C 13 59.945 0.3 . 1 . . . . 300 LYS CA . 26822 1 650 . 1 1 181 181 LYS CB C 13 31.744 0.3 . 1 . . . . 300 LYS CB . 26822 1 651 . 1 1 181 181 LYS N N 15 126.000 0.3 . 1 . . . . 300 LYS N . 26822 1 652 . 1 1 182 182 SER H H 1 7.151 0.020 . 1 . . . . 301 SER H . 26822 1 653 . 1 1 182 182 SER C C 13 174.654 0.3 . 1 . . . . 301 SER C . 26822 1 654 . 1 1 182 182 SER CA C 13 60.411 0.3 . 1 . . . . 301 SER CA . 26822 1 655 . 1 1 182 182 SER CB C 13 62.159 0.3 . 1 . . . . 301 SER CB . 26822 1 656 . 1 1 182 182 SER N N 15 113.935 0.3 . 1 . . . . 301 SER N . 26822 1 657 . 1 1 183 183 ILE H H 1 6.828 0.020 . 1 . . . . 302 ILE H . 26822 1 658 . 1 1 183 183 ILE C C 13 175.266 0.3 . 1 . . . . 302 ILE C . 26822 1 659 . 1 1 183 183 ILE CA C 13 62.742 0.3 . 1 . . . . 302 ILE CA . 26822 1 660 . 1 1 183 183 ILE CB C 13 38.736 0.3 . 1 . . . . 302 ILE CB . 26822 1 661 . 1 1 183 183 ILE N N 15 121.805 0.3 . 1 . . . . 302 ILE N . 26822 1 662 . 1 1 184 184 ALA H H 1 6.591 0.020 . 1 . . . . 303 ALA H . 26822 1 663 . 1 1 184 184 ALA C C 13 178.137 0.3 . 1 . . . . 303 ALA C . 26822 1 664 . 1 1 184 184 ALA CA C 13 51.671 0.3 . 1 . . . . 303 ALA CA . 26822 1 665 . 1 1 184 184 ALA CB C 13 18.809 0.3 . 1 . . . . 303 ALA CB . 26822 1 666 . 1 1 184 184 ALA N N 15 122.511 0.3 . 1 . . . . 303 ALA N . 26822 1 667 . 1 1 185 185 SER H H 1 8.245 0.020 . 1 . . . . 304 SER H . 26822 1 668 . 1 1 185 185 SER CA C 13 61.632 0.3 . 1 . . . . 304 SER CA . 26822 1 669 . 1 1 185 185 SER CB C 13 61.632 0.3 . 1 . . . . 304 SER CB . 26822 1 670 . 1 1 185 185 SER N N 15 121.798 0.3 . 1 . . . . 304 SER N . 26822 1 671 . 1 1 186 186 GLU H H 1 7.815 0.020 . 1 . . . . 305 GLU H . 26822 1 672 . 1 1 186 186 GLU C C 13 176.363 0.3 . 1 . . . . 305 GLU C . 26822 1 673 . 1 1 186 186 GLU CA C 13 53.487 0.3 . 1 . . . . 305 GLU CA . 26822 1 674 . 1 1 186 186 GLU CB C 13 28.754 0.3 . 1 . . . . 305 GLU CB . 26822 1 675 . 1 1 186 186 GLU N N 15 118.502 0.3 . 1 . . . . 305 GLU N . 26822 1 676 . 1 1 189 189 GLU H H 1 9.048 0.020 . 1 . . . . 308 GLU H . 26822 1 677 . 1 1 189 189 GLU C C 13 177.344 0.3 . 1 . . . . 308 GLU C . 26822 1 678 . 1 1 189 189 GLU CA C 13 58.663 0.3 . 1 . . . . 308 GLU CA . 26822 1 679 . 1 1 189 189 GLU CB C 13 28.248 0.3 . 1 . . . . 308 GLU CB . 26822 1 680 . 1 1 189 189 GLU N N 15 119.690 0.3 . 1 . . . . 308 GLU N . 26822 1 681 . 1 1 190 190 LYS H H 1 6.821 0.020 . 1 . . . . 309 LYS H . 26822 1 682 . 1 1 190 190 LYS C C 13 175.850 0.3 . 1 . . . . 309 LYS C . 26822 1 683 . 1 1 190 190 LYS CA C 13 55.750 0.3 . 1 . . . . 309 LYS CA . 26822 1 684 . 1 1 190 190 LYS CB C 13 33.123 0.3 . 1 . . . . 309 LYS CB . 26822 1 685 . 1 1 190 190 LYS N N 15 115.436 0.3 . 1 . . . . 309 LYS N . 26822 1 686 . 1 1 191 191 HIS H H 1 6.793 0.020 . 1 . . . . 310 HIS H . 26822 1 687 . 1 1 191 191 HIS C C 13 172.115 0.3 . 1 . . . . 310 HIS C . 26822 1 688 . 1 1 191 191 HIS CA C 13 57.485 0.3 . 1 . . . . 310 HIS CA . 26822 1 689 . 1 1 191 191 HIS CB C 13 31.123 0.3 . 1 . . . . 310 HIS CB . 26822 1 690 . 1 1 191 191 HIS N N 15 115.289 0.3 . 1 . . . . 310 HIS N . 26822 1 691 . 1 1 192 192 PHE H H 1 7.489 0.020 . 1 . . . . 311 PHE H . 26822 1 692 . 1 1 192 192 PHE CA C 13 55.190 0.3 . 1 . . . . 311 PHE CA . 26822 1 693 . 1 1 192 192 PHE CB C 13 41.120 0.3 . 1 . . . . 311 PHE CB . 26822 1 694 . 1 1 192 192 PHE N N 15 120.210 0.3 . 1 . . . . 311 PHE N . 26822 1 695 . 1 1 194 194 ASN H H 1 8.002 0.020 . 1 . . . . 313 ASN H . 26822 1 696 . 1 1 194 194 ASN C C 13 173.959 0.3 . 1 . . . . 313 ASN C . 26822 1 697 . 1 1 194 194 ASN CA C 13 51.088 0.3 . 1 . . . . 313 ASN CA . 26822 1 698 . 1 1 194 194 ASN CB C 13 40.834 0.3 . 1 . . . . 313 ASN CB . 26822 1 699 . 1 1 194 194 ASN N N 15 117.847 0.3 . 1 . . . . 313 ASN N . 26822 1 700 . 1 1 195 195 VAL H H 1 8.335 0.020 . 1 . . . . 314 VAL H . 26822 1 701 . 1 1 195 195 VAL C C 13 175.850 0.3 . 1 . . . . 314 VAL C . 26822 1 702 . 1 1 195 195 VAL CA C 13 58.596 0.3 . 1 . . . . 314 VAL CA . 26822 1 703 . 1 1 195 195 VAL CB C 13 34.604 0.3 . 1 . . . . 314 VAL CB . 26822 1 704 . 1 1 195 195 VAL N N 15 116.943 0.3 . 1 . . . . 314 VAL N . 26822 1 705 . 1 1 196 196 SER H H 1 8.511 0.020 . 1 . . . . 315 SER H . 26822 1 706 . 1 1 196 196 SER CA C 13 61.632 0.3 . 1 . . . . 315 SER CA . 26822 1 707 . 1 1 196 196 SER CB C 13 62.595 0.3 . 1 . . . . 315 SER CB . 26822 1 708 . 1 1 196 196 SER N N 15 118.576 0.3 . 1 . . . . 315 SER N . 26822 1 709 . 1 1 197 197 ASP H H 1 6.992 0.020 . 1 . . . . 316 ASP H . 26822 1 710 . 1 1 197 197 ASP C C 13 175.360 0.3 . 1 . . . . 316 ASP C . 26822 1 711 . 1 1 197 197 ASP CA C 13 52.836 0.3 . 1 . . . . 316 ASP CA . 26822 1 712 . 1 1 197 197 ASP CB C 13 42.232 0.3 . 1 . . . . 316 ASP CB . 26822 1 713 . 1 1 197 197 ASP N N 15 114.048 0.3 . 1 . . . . 316 ASP N . 26822 1 714 . 1 1 198 198 ALA H H 1 8.740 0.020 . 1 . . . . 317 ALA H . 26822 1 715 . 1 1 198 198 ALA C C 13 179.538 0.3 . 1 . . . . 317 ALA C . 26822 1 716 . 1 1 198 198 ALA CA C 13 54.667 0.3 . 1 . . . . 317 ALA CA . 26822 1 717 . 1 1 198 198 ALA CB C 13 17.050 0.3 . 1 . . . . 317 ALA CB . 26822 1 718 . 1 1 198 198 ALA N N 15 122.734 0.3 . 1 . . . . 317 ALA N . 26822 1 719 . 1 1 199 199 LEU H H 1 7.639 0.020 . 1 . . . . 318 LEU H . 26822 1 720 . 1 1 199 199 LEU C C 13 178.114 0.3 . 1 . . . . 318 LEU C . 26822 1 721 . 1 1 199 199 LEU CA C 13 57.559 0.3 . 1 . . . . 318 LEU CA . 26822 1 722 . 1 1 199 199 LEU CB C 13 40.454 0.3 . 1 . . . . 318 LEU CB . 26822 1 723 . 1 1 199 199 LEU N N 15 118.576 0.3 . 1 . . . . 318 LEU N . 26822 1 724 . 1 1 200 200 ALA H H 1 7.285 0.020 . 1 . . . . 319 ALA H . 26822 1 725 . 1 1 200 200 ALA C C 13 179.768 0.3 . 1 . . . . 319 ALA C . 26822 1 726 . 1 1 200 200 ALA CA C 13 51.088 0.3 . 1 . . . . 319 ALA CA . 26822 1 727 . 1 1 200 200 ALA CB C 13 18.926 0.3 . 1 . . . . 319 ALA CB . 26822 1 728 . 1 1 200 200 ALA N N 15 118.129 0.3 . 1 . . . . 319 ALA N . 26822 1 729 . 1 1 201 201 LEU H H 1 7.648 0.020 . 1 . . . . 320 LEU H . 26822 1 730 . 1 1 201 201 LEU C C 13 177.997 0.3 . 1 . . . . 320 LEU C . 26822 1 731 . 1 1 201 201 LEU CA C 13 58.663 0.3 . 1 . . . . 320 LEU CA . 26822 1 732 . 1 1 201 201 LEU CB C 13 39.901 0.3 . 1 . . . . 320 LEU CB . 26822 1 733 . 1 1 201 201 LEU N N 15 124.738 0.3 . 1 . . . . 320 LEU N . 26822 1 734 . 1 1 202 202 VAL H H 1 7.084 0.020 . 1 . . . . 321 VAL H . 26822 1 735 . 1 1 202 202 VAL C C 13 177.868 0.3 . 1 . . . . 321 VAL C . 26822 1 736 . 1 1 202 202 VAL CA C 13 64.490 0.3 . 1 . . . . 321 VAL CA . 26822 1 737 . 1 1 202 202 VAL CB C 13 31.162 0.3 . 1 . . . . 321 VAL CB . 26822 1 738 . 1 1 202 202 VAL N N 15 108.521 0.3 . 1 . . . . 321 VAL N . 26822 1 739 . 1 1 203 203 THR H H 1 7.498 0.020 . 1 . . . . 322 THR H . 26822 1 740 . 1 1 203 203 THR C C 13 176.620 0.3 . 1 . . . . 322 THR C . 26822 1 741 . 1 1 203 203 THR CA C 13 63.790 0.3 . 1 . . . . 322 THR CA . 26822 1 742 . 1 1 203 203 THR CB C 13 69.267 0.3 . 1 . . . . 322 THR CB . 26822 1 743 . 1 1 203 203 THR N N 15 111.450 0.3 . 1 . . . . 322 THR N . 26822 1 744 . 1 1 204 204 ILE H H 1 6.891 0.020 . 1 . . . . 323 ILE H . 26822 1 745 . 1 1 204 204 ILE C C 13 175.756 0.3 . 1 . . . . 323 ILE C . 26822 1 746 . 1 1 204 204 ILE CA C 13 60.411 0.3 . 1 . . . . 323 ILE CA . 26822 1 747 . 1 1 204 204 ILE CB C 13 38.153 0.3 . 1 . . . . 323 ILE CB . 26822 1 748 . 1 1 204 204 ILE N N 15 113.009 0.3 . 1 . . . . 323 ILE N . 26822 1 749 . 1 1 205 205 VAL H H 1 6.659 0.020 . 1 . . . . 324 VAL H . 26822 1 750 . 1 1 205 205 VAL C C 13 176.760 0.3 . 1 . . . . 324 VAL C . 26822 1 751 . 1 1 205 205 VAL CA C 13 66.937 0.3 . 1 . . . . 324 VAL CA . 26822 1 752 . 1 1 205 205 VAL CB C 13 31.162 0.3 . 1 . . . . 324 VAL CB . 26822 1 753 . 1 1 205 205 VAL N N 15 120.878 0.3 . 1 . . . . 324 VAL N . 26822 1 754 . 1 1 206 206 LYS H H 1 8.203 0.020 . 1 . . . . 325 LYS H . 26822 1 755 . 1 1 206 206 LYS C C 13 178.552 0.3 . 1 . . . . 325 LYS C . 26822 1 756 . 1 1 206 206 LYS CA C 13 59.828 0.3 . 1 . . . . 325 LYS CA . 26822 1 757 . 1 1 206 206 LYS CB C 13 31.162 0.3 . 1 . . . . 325 LYS CB . 26822 1 758 . 1 1 206 206 LYS N N 15 121.843 0.3 . 1 . . . . 325 LYS N . 26822 1 759 . 1 1 207 207 THR H H 1 7.639 0.020 . 1 . . . . 326 THR H . 26822 1 760 . 1 1 207 207 THR C C 13 175.710 0.3 . 1 . . . . 326 THR C . 26822 1 761 . 1 1 207 207 THR CA C 13 65.655 0.3 . 1 . . . . 326 THR CA . 26822 1 762 . 1 1 207 207 THR CB C 13 68.102 0.3 . 1 . . . . 326 THR CB . 26822 1 763 . 1 1 207 207 THR N N 15 116.572 0.3 . 1 . . . . 326 THR N . 26822 1 764 . 1 1 208 208 LEU H H 1 8.150 0.020 . 1 . . . . 327 LEU H . 26822 1 765 . 1 1 208 208 LEU C C 13 177.689 0.3 . 1 . . . . 327 LEU C . 26822 1 766 . 1 1 208 208 LEU CA C 13 58.080 0.3 . 1 . . . . 327 LEU CA . 26822 1 767 . 1 1 208 208 LEU CB C 13 40.484 0.3 . 1 . . . . 327 LEU CB . 26822 1 768 . 1 1 208 208 LEU N N 15 122.214 0.3 . 1 . . . . 327 LEU N . 26822 1 769 . 1 1 209 209 GLY H H 1 8.159 0.020 . 1 . . . . 328 GLY H . 26822 1 770 . 1 1 209 209 GLY C C 13 175.243 0.3 . 1 . . . . 328 GLY C . 26822 1 771 . 1 1 209 209 GLY CA C 13 47.010 0.3 . 1 . . . . 328 GLY CA . 26822 1 772 . 1 1 209 209 GLY N N 15 104.917 0.3 . 1 . . . . 328 GLY N . 26822 1 773 . 1 1 210 210 GLU H H 1 7.532 0.020 . 1 . . . . 329 GLU H . 26822 1 774 . 1 1 210 210 GLU C C 13 179.398 0.3 . 1 . . . . 329 GLU C . 26822 1 775 . 1 1 210 210 GLU CA C 13 58.670 0.3 . 1 . . . . 329 GLU CA . 26822 1 776 . 1 1 210 210 GLU CB C 13 28.831 0.3 . 1 . . . . 329 GLU CB . 26822 1 777 . 1 1 210 210 GLU N N 15 119.842 0.3 . 1 . . . . 329 GLU N . 26822 1 778 . 1 1 211 211 ARG H H 1 7.710 0.020 . 1 . . . . 330 ARG H . 26822 1 779 . 1 1 211 211 ARG C C 13 178.954 0.3 . 1 . . . . 330 ARG C . 26822 1 780 . 1 1 211 211 ARG CA C 13 58.197 0.3 . 1 . . . . 330 ARG CA . 26822 1 781 . 1 1 211 211 ARG CB C 13 30.462 0.3 . 1 . . . . 330 ARG CB . 26822 1 782 . 1 1 211 211 ARG N N 15 118.205 0.3 . 1 . . . . 330 ARG N . 26822 1 783 . 1 1 212 212 ILE H H 1 7.877 0.020 . 1 . . . . 331 ILE H . 26822 1 784 . 1 1 212 212 ILE C C 13 176.134 0.3 . 1 . . . . 331 ILE C . 26822 1 785 . 1 1 212 212 ILE CA C 13 65.538 0.3 . 1 . . . . 331 ILE CA . 26822 1 786 . 1 1 212 212 ILE CB C 13 37.571 0.3 . 1 . . . . 331 ILE CB . 26822 1 787 . 1 1 212 212 ILE N N 15 121.148 0.3 . 1 . . . . 331 ILE N . 26822 1 788 . 1 1 213 213 PHE H H 1 6.842 0.020 . 1 . . . . 332 PHE H . 26822 1 789 . 1 1 213 213 PHE C C 13 174.869 0.3 . 1 . . . . 332 PHE C . 26822 1 790 . 1 1 213 213 PHE CA C 13 58.663 0.3 . 1 . . . . 332 PHE CA . 26822 1 791 . 1 1 213 213 PHE CB C 13 38.153 0.3 . 1 . . . . 332 PHE CB . 26822 1 792 . 1 1 213 213 PHE N N 15 113.119 0.3 . 1 . . . . 332 PHE N . 26822 1 793 . 1 1 214 214 ALA H H 1 7.064 0.020 . 1 . . . . 333 ALA H . 26822 1 794 . 1 1 214 214 ALA C C 13 177.414 0.3 . 1 . . . . 333 ALA C . 26822 1 795 . 1 1 214 214 ALA CA C 13 52.254 0.3 . 1 . . . . 333 ALA CA . 26822 1 796 . 1 1 214 214 ALA CB C 13 18.343 0.3 . 1 . . . . 333 ALA CB . 26822 1 797 . 1 1 214 214 ALA N N 15 122.711 0.3 . 1 . . . . 333 ALA N . 26822 1 798 . 1 1 215 215 LEU H H 1 8.000 0.020 . 1 . . . . 334 LEU H . 26822 1 799 . 1 1 215 215 LEU C C 13 176.363 0.3 . 1 . . . . 334 LEU C . 26822 1 800 . 1 1 215 215 LEU CA C 13 55.167 0.3 . 1 . . . . 334 LEU CA . 26822 1 801 . 1 1 215 215 LEU CB C 13 41.766 0.3 . 1 . . . . 334 LEU CB . 26822 1 802 . 1 1 215 215 LEU N N 15 121.768 0.3 . 1 . . . . 334 LEU N . 26822 1 803 . 1 1 216 216 GLU H H 1 7.489 0.020 . 1 . . . . 335 GLU H . 26822 1 804 . 1 1 216 216 GLU C C 13 180.682 0.3 . 1 . . . . 335 GLU C . 26822 1 805 . 1 1 216 216 GLU CA C 13 57.381 0.3 . 1 . . . . 335 GLU CA . 26822 1 806 . 1 1 216 216 GLU CB C 13 31.162 0.3 . 1 . . . . 335 GLU CB . 26822 1 807 . 1 1 216 216 GLU N N 15 125.703 0.3 . 1 . . . . 335 GLU N . 26822 1 stop_ save_