data_52522 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52522 _Entry.Title ; Backbone and sidechain assignments of hSTING155-341 G230A/H232R/R293Q in complex with THIQi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-25 _Entry.Accession_date 2024-06-25 _Entry.Last_release_date 2024-06-25 _Entry.Original_release_date 2024-06-25 _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 Tao Xie . . . 0000-0002-2502-1479 52522 2 Max Ruzanov . . . . 52522 3 David Critton . . . . 52522 4 Leidy Merselis . . . . 52522 5 Joseph Naglich . . . . 52522 6 Jack Sack . . . . 52522 7 Ping Zhang . . . . 52522 8 Chunshan Xie . . . . 52522 9 Jeffrey Tredup . . . . 52522 10 Laurel Stine . B. . . 52522 11 Cameron Messier . . . . 52522 12 Janet Caceres-Cortes . . . . 52522 13 Luciano Mueller . . . 0000-0002-8956-2653 52522 14 Alaric Dyckman . J. . . 52522 15 John Newitt . A. . . 52522 16 Stephen Wilson . C. . . 52522 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52522 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 532 52522 '15N chemical shifts' 168 52522 '1H chemical shifts' 696 52522 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 2 . . 2025-07-03 2024-06-25 update author 'update entry citation' 52522 1 . . 2025-05-22 2024-06-25 original author 'original release' 52522 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52528 'Backbone and sidechain assignments of hSTING155-341 G230A/H232R/R293Q in complex with ABZI' 52522 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52522 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40595544 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Orthosteric STING inhibition elucidates molecular correction of SAVI STING ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5695 _Citation.Page_last 5695 _Citation.Year 2025 _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 Tao Xie T. . . . 52522 1 2 Max Ruzanov M. . . . 52522 1 3 David Critton D. . . . 52522 1 4 Leidy Merselis L. . . . 52522 1 5 Joseph Naglich J. . . . 52522 1 6 John Sack J. S. . . 52522 1 7 Ping Zhang P. . . . 52522 1 8 Chunshan Xie C. . . . 52522 1 9 Jeffrey Tredup J. . . . 52522 1 10 Laurel Stine L. B. . . 52522 1 11 Cameron Messier C. . . . 52522 1 12 David Hope D. L. . . 52522 1 13 Janet Caceres-Cortes J. . . . 52522 1 14 Luciano Mueller L. . . . 52522 1 15 Alaric Dyckman A. J. . . 52522 1 16 John Newitt J. A. . . 52522 1 17 Asmita Choudhury A. . . . 52522 1 18 Stephen Wilson S. C. . . 52522 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'STING; Antagonist; Agonist; NMR; SAVI mutation; Conformation; Allosteric activation' 52522 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52522 _Assembly.ID 1 _Assembly.Name 'hSTING (155-341) G230A/H232R/R293Q-THIQi complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 2 _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 'hSTING (155-341) G230A/H232R/R293Q, subunit 1' 1 $entity_1 . . yes native no no . . 'forms a homodimer with subunit 2' 52522 1 2 'hSTING (155-341) G230A/H232R/R293Q, subunit 2' 1 $entity_1 . . yes native no no . . 'forms a homodimer with subunit 1' 52522 1 3 'THIQi, subunit 3' 2 $entity_2 . . no native no no . . . 52522 1 4 'THIQi, subunit 4' 2 $entity_2 . . no native no no . . . 52522 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Slow exchange' 52522 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52522 _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 ; GGGGSVAHGLAWSYYIGYLR LILPELQARIRTYNQHYNNL LRGAVSQRLYILLPLDCGVP DNLSMADPNIRFLDKLPQQT ADRAGIKDRVYSNSIYELLE NGQRAGTCVLEYATPLQTLF AMSQYSQAGFSREDRLEQAK LFCQTLEDILADAPESQNNC RLIAYQEPADDSSFSLSQEV LRHLRQEEKEEV ; _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 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 150 GLY . 52522 1 2 151 GLY . 52522 1 3 152 GLY . 52522 1 4 153 GLY . 52522 1 5 154 SER . 52522 1 6 155 VAL . 52522 1 7 156 ALA . 52522 1 8 157 HIS . 52522 1 9 158 GLY . 52522 1 10 159 LEU . 52522 1 11 160 ALA . 52522 1 12 161 TRP . 52522 1 13 162 SER . 52522 1 14 163 TYR . 52522 1 15 164 TYR . 52522 1 16 165 ILE . 52522 1 17 166 GLY . 52522 1 18 167 TYR . 52522 1 19 168 LEU . 52522 1 20 169 ARG . 52522 1 21 170 LEU . 52522 1 22 171 ILE . 52522 1 23 172 LEU . 52522 1 24 173 PRO . 52522 1 25 174 GLU . 52522 1 26 175 LEU . 52522 1 27 176 GLN . 52522 1 28 177 ALA . 52522 1 29 178 ARG . 52522 1 30 179 ILE . 52522 1 31 180 ARG . 52522 1 32 181 THR . 52522 1 33 182 TYR . 52522 1 34 183 ASN . 52522 1 35 184 GLN . 52522 1 36 185 HIS . 52522 1 37 186 TYR . 52522 1 38 187 ASN . 52522 1 39 188 ASN . 52522 1 40 189 LEU . 52522 1 41 190 LEU . 52522 1 42 191 ARG . 52522 1 43 192 GLY . 52522 1 44 193 ALA . 52522 1 45 194 VAL . 52522 1 46 195 SER . 52522 1 47 196 GLN . 52522 1 48 197 ARG . 52522 1 49 198 LEU . 52522 1 50 199 TYR . 52522 1 51 200 ILE . 52522 1 52 201 LEU . 52522 1 53 202 LEU . 52522 1 54 203 PRO . 52522 1 55 204 LEU . 52522 1 56 205 ASP . 52522 1 57 206 CYS . 52522 1 58 207 GLY . 52522 1 59 208 VAL . 52522 1 60 209 PRO . 52522 1 61 210 ASP . 52522 1 62 211 ASN . 52522 1 63 212 LEU . 52522 1 64 213 SER . 52522 1 65 214 MET . 52522 1 66 215 ALA . 52522 1 67 216 ASP . 52522 1 68 217 PRO . 52522 1 69 218 ASN . 52522 1 70 219 ILE . 52522 1 71 220 ARG . 52522 1 72 221 PHE . 52522 1 73 222 LEU . 52522 1 74 223 ASP . 52522 1 75 224 LYS . 52522 1 76 225 LEU . 52522 1 77 226 PRO . 52522 1 78 227 GLN . 52522 1 79 228 GLN . 52522 1 80 229 THR . 52522 1 81 230 ALA . 52522 1 82 231 ASP . 52522 1 83 232 ARG . 52522 1 84 233 ALA . 52522 1 85 234 GLY . 52522 1 86 235 ILE . 52522 1 87 236 LYS . 52522 1 88 237 ASP . 52522 1 89 238 ARG . 52522 1 90 239 VAL . 52522 1 91 240 TYR . 52522 1 92 241 SER . 52522 1 93 242 ASN . 52522 1 94 243 SER . 52522 1 95 244 ILE . 52522 1 96 245 TYR . 52522 1 97 246 GLU . 52522 1 98 247 LEU . 52522 1 99 248 LEU . 52522 1 100 249 GLU . 52522 1 101 250 ASN . 52522 1 102 251 GLY . 52522 1 103 252 GLN . 52522 1 104 253 ARG . 52522 1 105 254 ALA . 52522 1 106 255 GLY . 52522 1 107 256 THR . 52522 1 108 257 CYS . 52522 1 109 258 VAL . 52522 1 110 259 LEU . 52522 1 111 260 GLU . 52522 1 112 261 TYR . 52522 1 113 262 ALA . 52522 1 114 263 THR . 52522 1 115 264 PRO . 52522 1 116 265 LEU . 52522 1 117 266 GLN . 52522 1 118 267 THR . 52522 1 119 268 LEU . 52522 1 120 269 PHE . 52522 1 121 270 ALA . 52522 1 122 271 MET . 52522 1 123 272 SER . 52522 1 124 273 GLN . 52522 1 125 274 TYR . 52522 1 126 275 SER . 52522 1 127 276 GLN . 52522 1 128 277 ALA . 52522 1 129 278 GLY . 52522 1 130 279 PHE . 52522 1 131 280 SER . 52522 1 132 281 ARG . 52522 1 133 282 GLU . 52522 1 134 283 ASP . 52522 1 135 284 ARG . 52522 1 136 285 LEU . 52522 1 137 286 GLU . 52522 1 138 287 GLN . 52522 1 139 288 ALA . 52522 1 140 289 LYS . 52522 1 141 290 LEU . 52522 1 142 291 PHE . 52522 1 143 292 CYS . 52522 1 144 293 GLN . 52522 1 145 294 THR . 52522 1 146 295 LEU . 52522 1 147 296 GLU . 52522 1 148 297 ASP . 52522 1 149 298 ILE . 52522 1 150 299 LEU . 52522 1 151 300 ALA . 52522 1 152 301 ASP . 52522 1 153 302 ALA . 52522 1 154 303 PRO . 52522 1 155 304 GLU . 52522 1 156 305 SER . 52522 1 157 306 GLN . 52522 1 158 307 ASN . 52522 1 159 308 ASN . 52522 1 160 309 CYS . 52522 1 161 310 ARG . 52522 1 162 311 LEU . 52522 1 163 312 ILE . 52522 1 164 313 ALA . 52522 1 165 314 TYR . 52522 1 166 315 GLN . 52522 1 167 316 GLU . 52522 1 168 317 PRO . 52522 1 169 318 ALA . 52522 1 170 319 ASP . 52522 1 171 320 ASP . 52522 1 172 321 SER . 52522 1 173 322 SER . 52522 1 174 323 PHE . 52522 1 175 324 SER . 52522 1 176 325 LEU . 52522 1 177 326 SER . 52522 1 178 327 GLN . 52522 1 179 328 GLU . 52522 1 180 329 VAL . 52522 1 181 330 LEU . 52522 1 182 331 ARG . 52522 1 183 332 HIS . 52522 1 184 333 LEU . 52522 1 185 334 ARG . 52522 1 186 335 GLN . 52522 1 187 336 GLU . 52522 1 188 337 GLU . 52522 1 189 338 LYS . 52522 1 190 339 GLU . 52522 1 191 340 GLU . 52522 1 192 341 VAL . 52522 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52522 1 . GLY 2 2 52522 1 . GLY 3 3 52522 1 . GLY 4 4 52522 1 . SER 5 5 52522 1 . VAL 6 6 52522 1 . ALA 7 7 52522 1 . HIS 8 8 52522 1 . GLY 9 9 52522 1 . LEU 10 10 52522 1 . ALA 11 11 52522 1 . TRP 12 12 52522 1 . SER 13 13 52522 1 . TYR 14 14 52522 1 . TYR 15 15 52522 1 . ILE 16 16 52522 1 . GLY 17 17 52522 1 . TYR 18 18 52522 1 . LEU 19 19 52522 1 . ARG 20 20 52522 1 . LEU 21 21 52522 1 . ILE 22 22 52522 1 . LEU 23 23 52522 1 . PRO 24 24 52522 1 . GLU 25 25 52522 1 . LEU 26 26 52522 1 . GLN 27 27 52522 1 . ALA 28 28 52522 1 . ARG 29 29 52522 1 . ILE 30 30 52522 1 . ARG 31 31 52522 1 . THR 32 32 52522 1 . TYR 33 33 52522 1 . ASN 34 34 52522 1 . GLN 35 35 52522 1 . HIS 36 36 52522 1 . TYR 37 37 52522 1 . ASN 38 38 52522 1 . ASN 39 39 52522 1 . LEU 40 40 52522 1 . LEU 41 41 52522 1 . ARG 42 42 52522 1 . GLY 43 43 52522 1 . ALA 44 44 52522 1 . VAL 45 45 52522 1 . SER 46 46 52522 1 . GLN 47 47 52522 1 . ARG 48 48 52522 1 . LEU 49 49 52522 1 . TYR 50 50 52522 1 . ILE 51 51 52522 1 . LEU 52 52 52522 1 . LEU 53 53 52522 1 . PRO 54 54 52522 1 . LEU 55 55 52522 1 . ASP 56 56 52522 1 . CYS 57 57 52522 1 . GLY 58 58 52522 1 . VAL 59 59 52522 1 . PRO 60 60 52522 1 . ASP 61 61 52522 1 . ASN 62 62 52522 1 . LEU 63 63 52522 1 . SER 64 64 52522 1 . MET 65 65 52522 1 . ALA 66 66 52522 1 . ASP 67 67 52522 1 . PRO 68 68 52522 1 . ASN 69 69 52522 1 . ILE 70 70 52522 1 . ARG 71 71 52522 1 . PHE 72 72 52522 1 . LEU 73 73 52522 1 . ASP 74 74 52522 1 . LYS 75 75 52522 1 . LEU 76 76 52522 1 . PRO 77 77 52522 1 . GLN 78 78 52522 1 . GLN 79 79 52522 1 . THR 80 80 52522 1 . ALA 81 81 52522 1 . ASP 82 82 52522 1 . ARG 83 83 52522 1 . ALA 84 84 52522 1 . GLY 85 85 52522 1 . ILE 86 86 52522 1 . LYS 87 87 52522 1 . ASP 88 88 52522 1 . ARG 89 89 52522 1 . VAL 90 90 52522 1 . TYR 91 91 52522 1 . SER 92 92 52522 1 . ASN 93 93 52522 1 . SER 94 94 52522 1 . ILE 95 95 52522 1 . TYR 96 96 52522 1 . GLU 97 97 52522 1 . LEU 98 98 52522 1 . LEU 99 99 52522 1 . GLU 100 100 52522 1 . ASN 101 101 52522 1 . GLY 102 102 52522 1 . GLN 103 103 52522 1 . ARG 104 104 52522 1 . ALA 105 105 52522 1 . GLY 106 106 52522 1 . THR 107 107 52522 1 . CYS 108 108 52522 1 . VAL 109 109 52522 1 . LEU 110 110 52522 1 . GLU 111 111 52522 1 . TYR 112 112 52522 1 . ALA 113 113 52522 1 . THR 114 114 52522 1 . PRO 115 115 52522 1 . LEU 116 116 52522 1 . GLN 117 117 52522 1 . THR 118 118 52522 1 . LEU 119 119 52522 1 . PHE 120 120 52522 1 . ALA 121 121 52522 1 . MET 122 122 52522 1 . SER 123 123 52522 1 . GLN 124 124 52522 1 . TYR 125 125 52522 1 . SER 126 126 52522 1 . GLN 127 127 52522 1 . ALA 128 128 52522 1 . GLY 129 129 52522 1 . PHE 130 130 52522 1 . SER 131 131 52522 1 . ARG 132 132 52522 1 . GLU 133 133 52522 1 . ASP 134 134 52522 1 . ARG 135 135 52522 1 . LEU 136 136 52522 1 . GLU 137 137 52522 1 . GLN 138 138 52522 1 . ALA 139 139 52522 1 . LYS 140 140 52522 1 . LEU 141 141 52522 1 . PHE 142 142 52522 1 . CYS 143 143 52522 1 . GLN 144 144 52522 1 . THR 145 145 52522 1 . LEU 146 146 52522 1 . GLU 147 147 52522 1 . ASP 148 148 52522 1 . ILE 149 149 52522 1 . LEU 150 150 52522 1 . ALA 151 151 52522 1 . ASP 152 152 52522 1 . ALA 153 153 52522 1 . PRO 154 154 52522 1 . GLU 155 155 52522 1 . SER 156 156 52522 1 . GLN 157 157 52522 1 . ASN 158 158 52522 1 . ASN 159 159 52522 1 . CYS 160 160 52522 1 . ARG 161 161 52522 1 . LEU 162 162 52522 1 . ILE 163 163 52522 1 . ALA 164 164 52522 1 . TYR 165 165 52522 1 . GLN 166 166 52522 1 . GLU 167 167 52522 1 . PRO 168 168 52522 1 . ALA 169 169 52522 1 . ASP 170 170 52522 1 . ASP 171 171 52522 1 . SER 172 172 52522 1 . SER 173 173 52522 1 . PHE 174 174 52522 1 . SER 175 175 52522 1 . LEU 176 176 52522 1 . SER 177 177 52522 1 . GLN 178 178 52522 1 . GLU 179 179 52522 1 . VAL 180 180 52522 1 . LEU 181 181 52522 1 . ARG 182 182 52522 1 . HIS 183 183 52522 1 . LEU 184 184 52522 1 . ARG 185 185 52522 1 . GLN 186 186 52522 1 . GLU 187 187 52522 1 . GLU 188 188 52522 1 . LYS 189 189 52522 1 . GLU 190 190 52522 1 . GLU 191 191 52522 1 . VAL 192 192 52522 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52522 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID 1 _Entity.Nonpolymer_comp_label $chem_comp_1 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 $chem_comp_1 52522 2 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 52522 _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 . . . . . . . . . . . . . 52522 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 52522 _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 . . pET28 . . . 52522 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_1 _Chem_comp.Entry_ID 52522 _Chem_comp.ID 1 _Chem_comp.Provenance . _Chem_comp.Name THIQi _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula C28H26ClNO5 _Chem_comp.Formula_weight 491.97 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52522 _Sample.ID 1 _Sample.Name 'hSTING155-341 G230A/H232R/R293Q-THIQi complex' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hSTING (155-341) G230A/H232R/R293Q' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 52522 1 2 THIQi 'natural abundance' . . 2 $entity_2 . . 0.8 . . mM . . . . 52522 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 52522 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'hSTING155-341 G230A/H232R/R293Q-THIQi complex at 308 K' _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' 0.1 . M 52522 1 pH 7.3 . pH 52522 1 pressure 1 . atm 52522 1 temperature 308 . K 52522 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52522 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52522 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52522 _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 collection . 52522 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52522 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52522 3 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 52522 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52522 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52522 _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 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 7 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 1 8 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52522 1 9 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52522 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 52522 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'hSTING(155-341) G230A/H232R/R293Q-THIQi complex' _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 water protons . . . . ppm 4.6 internal indirect . . . . . . 52522 1 H 1 water protons . . . . ppm 4.6 internal direct 1 . . . . . 52522 1 N 15 water protons . . . . ppm 4.6 internal indirect . . . . . . 52522 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 52522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'hSTING155-341 G230A/H232R/R293Q-THIQi complex' _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 '2D 1H-15N TROSY' . . . 52522 1 2 '2D 1H-13C HSQC' . . . 52522 1 3 '3D HNCA' . . . 52522 1 4 '3D HN(CO)CA' . . . 52522 1 5 '3D HNCO' . . . 52522 1 6 '3D HN(CA)CO' . . . 52522 1 7 '3D 1H-15N NOESY' . . . 52522 1 8 '3D 1H-13C NOESY' . . . 52522 1 9 '3D CBCACONH' . . . 52522 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 . . 52522 1 2 $software_2 . . 52522 1 3 $software_3 . . 52522 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 1 1 GLY CA C 13 45.234 0.00 . . . . . . . 150 GLY CA . 52522 1 2 . 1 . 1 2 2 GLY H H 1 8.162 0.01 . . . . . . . 151 GLY H . 52522 1 3 . 1 . 1 2 2 GLY C C 13 174.600 0.00 . . . . . . . 151 GLY C . 52522 1 4 . 1 . 1 2 2 GLY CA C 13 45.230 0.00 . . . . . . . 151 GLY CA . 52522 1 5 . 1 . 1 2 2 GLY N N 15 109.703 0.02 . . . . . . . 151 GLY N . 52522 1 6 . 1 . 1 3 3 GLY H H 1 8.395 0.00 . . . . . . . 152 GLY H . 52522 1 7 . 1 . 1 3 3 GLY C C 13 174.082 0.00 . . . . . . . 152 GLY C . 52522 1 8 . 1 . 1 3 3 GLY CA C 13 45.308 0.02 . . . . . . . 152 GLY CA . 52522 1 9 . 1 . 1 3 3 GLY N N 15 109.605 0.02 . . . . . . . 152 GLY N . 52522 1 10 . 1 . 1 4 4 GLY H H 1 7.897 0.00 . . . . . . . 153 GLY H . 52522 1 11 . 1 . 1 4 4 GLY C C 13 173.844 0.05 . . . . . . . 153 GLY C . 52522 1 12 . 1 . 1 4 4 GLY CA C 13 45.022 0.04 . . . . . . . 153 GLY CA . 52522 1 13 . 1 . 1 4 4 GLY N N 15 108.376 0.01 . . . . . . . 153 GLY N . 52522 1 14 . 1 . 1 5 5 SER H H 1 8.463 0.00 . . . . . . . 154 SER H . 52522 1 15 . 1 . 1 5 5 SER C C 13 176.769 0.00 . . . . . . . 154 SER C . 52522 1 16 . 1 . 1 5 5 SER CA C 13 57.530 0.03 . . . . . . . 154 SER CA . 52522 1 17 . 1 . 1 5 5 SER CB C 13 63.435 0.00 . . . . . . . 154 SER CB . 52522 1 18 . 1 . 1 5 5 SER N N 15 117.103 0.04 . . . . . . . 154 SER N . 52522 1 19 . 1 . 1 6 6 VAL H H 1 8.480 0.00 . . . . . . . 155 VAL H . 52522 1 20 . 1 . 1 6 6 VAL HA H 1 4.723 0.01 . . . . . . . 155 VAL HA . 52522 1 21 . 1 . 1 6 6 VAL HB H 1 2.048 0.01 . . . . . . . 155 VAL HB . 52522 1 22 . 1 . 1 6 6 VAL HG11 H 1 0.886 0.00 . . . . . . . 155 VAL HG1 . 52522 1 23 . 1 . 1 6 6 VAL HG12 H 1 0.886 0.00 . . . . . . . 155 VAL HG1 . 52522 1 24 . 1 . 1 6 6 VAL HG13 H 1 0.886 0.00 . . . . . . . 155 VAL HG1 . 52522 1 25 . 1 . 1 6 6 VAL HG21 H 1 0.850 0.01 . . . . . . . 155 VAL HG2 . 52522 1 26 . 1 . 1 6 6 VAL HG22 H 1 0.850 0.01 . . . . . . . 155 VAL HG2 . 52522 1 27 . 1 . 1 6 6 VAL HG23 H 1 0.850 0.01 . . . . . . . 155 VAL HG2 . 52522 1 28 . 1 . 1 6 6 VAL C C 13 176.448 0.05 . . . . . . . 155 VAL C . 52522 1 29 . 1 . 1 6 6 VAL CA C 13 64.408 0.03 . . . . . . . 155 VAL CA . 52522 1 30 . 1 . 1 6 6 VAL CB C 13 33.045 0.00 . . . . . . . 155 VAL CB . 52522 1 31 . 1 . 1 6 6 VAL CG1 C 13 22.935 0.05 . . . . . . . 155 VAL CG1 . 52522 1 32 . 1 . 1 6 6 VAL CG2 C 13 20.853 0.05 . . . . . . . 155 VAL CG2 . 52522 1 33 . 1 . 1 6 6 VAL N N 15 123.980 0.03 . . . . . . . 155 VAL N . 52522 1 34 . 1 . 1 7 7 ALA H H 1 8.826 0.00 . . . . . . . 156 ALA H . 52522 1 35 . 1 . 1 7 7 ALA HA H 1 3.948 0.00 . . . . . . . 156 ALA HA . 52522 1 36 . 1 . 1 7 7 ALA HB1 H 1 1.489 0.00 . . . . . . . 156 ALA HB . 52522 1 37 . 1 . 1 7 7 ALA HB2 H 1 1.489 0.00 . . . . . . . 156 ALA HB . 52522 1 38 . 1 . 1 7 7 ALA HB3 H 1 1.489 0.00 . . . . . . . 156 ALA HB . 52522 1 39 . 1 . 1 7 7 ALA C C 13 178.832 0.06 . . . . . . . 156 ALA C . 52522 1 40 . 1 . 1 7 7 ALA CA C 13 56.122 0.01 . . . . . . . 156 ALA CA . 52522 1 41 . 1 . 1 7 7 ALA CB C 13 20.689 0.02 . . . . . . . 156 ALA CB . 52522 1 42 . 1 . 1 7 7 ALA N N 15 120.377 0.02 . . . . . . . 156 ALA N . 52522 1 43 . 1 . 1 8 8 HIS H H 1 7.526 0.00 . . . . . . . 157 HIS H . 52522 1 44 . 1 . 1 8 8 HIS HB2 H 1 3.167 0.00 . . . . . . . 157 HIS HB# . 52522 1 45 . 1 . 1 8 8 HIS HB3 H 1 3.167 0.00 . . . . . . . 157 HIS HB# . 52522 1 46 . 1 . 1 8 8 HIS HD2 H 1 6.875 0.00 . . . . . . . 157 HIS HD2 . 52522 1 47 . 1 . 1 8 8 HIS HE1 H 1 7.879 0.00 . . . . . . . 157 HIS HE1 . 52522 1 48 . 1 . 1 8 8 HIS C C 13 177.858 0.00 . . . . . . . 157 HIS C . 52522 1 49 . 1 . 1 8 8 HIS CA C 13 61.547 0.02 . . . . . . . 157 HIS CA . 52522 1 50 . 1 . 1 8 8 HIS CB C 13 31.285 0.00 . . . . . . . 157 HIS CB . 52522 1 51 . 1 . 1 8 8 HIS N N 15 115.358 0.01 . . . . . . . 157 HIS N . 52522 1 52 . 1 . 1 9 9 GLY H H 1 9.151 0.00 . . . . . . . 158 GLY H . 52522 1 53 . 1 . 1 9 9 GLY C C 13 176.310 0.00 . . . . . . . 158 GLY C . 52522 1 54 . 1 . 1 9 9 GLY CA C 13 47.806 0.04 . . . . . . . 158 GLY CA . 52522 1 55 . 1 . 1 9 9 GLY N N 15 105.663 0.02 . . . . . . . 158 GLY N . 52522 1 56 . 1 . 1 10 10 LEU H H 1 7.748 0.00 . . . . . . . 159 LEU H . 52522 1 57 . 1 . 1 10 10 LEU HD11 H 1 0.737 0.00 . . . . . . . 159 LEU HD1 . 52522 1 58 . 1 . 1 10 10 LEU HD12 H 1 0.737 0.00 . . . . . . . 159 LEU HD1 . 52522 1 59 . 1 . 1 10 10 LEU HD13 H 1 0.737 0.00 . . . . . . . 159 LEU HD1 . 52522 1 60 . 1 . 1 10 10 LEU HD21 H 1 1.141 0.00 . . . . . . . 159 LEU HD2 . 52522 1 61 . 1 . 1 10 10 LEU HD22 H 1 1.141 0.00 . . . . . . . 159 LEU HD2 . 52522 1 62 . 1 . 1 10 10 LEU HD23 H 1 1.141 0.00 . . . . . . . 159 LEU HD2 . 52522 1 63 . 1 . 1 10 10 LEU C C 13 177.594 0.00 . . . . . . . 159 LEU C . 52522 1 64 . 1 . 1 10 10 LEU CA C 13 58.412 0.02 . . . . . . . 159 LEU CA . 52522 1 65 . 1 . 1 10 10 LEU CB C 13 41.363 0.00 . . . . . . . 159 LEU CB . 52522 1 66 . 1 . 1 10 10 LEU CD1 C 13 25.867 0.01 . . . . . . . 159 LEU CD1 . 52522 1 67 . 1 . 1 10 10 LEU CD2 C 13 22.409 0.03 . . . . . . . 159 LEU CD2 . 52522 1 68 . 1 . 1 10 10 LEU N N 15 120.199 0.02 . . . . . . . 159 LEU N . 52522 1 69 . 1 . 1 11 11 ALA H H 1 8.381 0.00 . . . . . . . 160 ALA H . 52522 1 70 . 1 . 1 11 11 ALA HA H 1 3.767 0.00 . . . . . . . 160 ALA HA . 52522 1 71 . 1 . 1 11 11 ALA HB1 H 1 0.955 0.00 . . . . . . . 160 ALA HB . 52522 1 72 . 1 . 1 11 11 ALA HB2 H 1 0.955 0.00 . . . . . . . 160 ALA HB . 52522 1 73 . 1 . 1 11 11 ALA HB3 H 1 0.955 0.00 . . . . . . . 160 ALA HB . 52522 1 74 . 1 . 1 11 11 ALA C C 13 178.750 0.05 . . . . . . . 160 ALA C . 52522 1 75 . 1 . 1 11 11 ALA CA C 13 55.654 0.02 . . . . . . . 160 ALA CA . 52522 1 76 . 1 . 1 11 11 ALA CB C 13 18.162 0.01 . . . . . . . 160 ALA CB . 52522 1 77 . 1 . 1 11 11 ALA N N 15 121.617 0.03 . . . . . . . 160 ALA N . 52522 1 78 . 1 . 1 12 12 TRP H H 1 8.042 0.00 . . . . . . . 161 TRP H . 52522 1 79 . 1 . 1 12 12 TRP HA H 1 4.149 0.00 . . . . . . . 161 TRP HA . 52522 1 80 . 1 . 1 12 12 TRP HB2 H 1 3.467 0.00 . . . . . . . 161 TRP HB2 . 52522 1 81 . 1 . 1 12 12 TRP HB3 H 1 2.979 0.00 . . . . . . . 161 TRP HB3 . 52522 1 82 . 1 . 1 12 12 TRP HD1 H 1 6.603 0.01 . . . . . . . 161 TRP HD1 . 52522 1 83 . 1 . 1 12 12 TRP HE1 H 1 9.915 0.00 . . . . . . . 161 TRP HE1 . 52522 1 84 . 1 . 1 12 12 TRP HE3 H 1 7.044 0.00 . . . . . . . 161 TRP HE3 . 52522 1 85 . 1 . 1 12 12 TRP HZ2 H 1 7.476 0.00 . . . . . . . 161 TRP HZ2 . 52522 1 86 . 1 . 1 12 12 TRP HZ3 H 1 7.299 0.00 . . . . . . . 161 TRP HZ3 . 52522 1 87 . 1 . 1 12 12 TRP C C 13 179.577 0.03 . . . . . . . 161 TRP C . 52522 1 88 . 1 . 1 12 12 TRP CA C 13 62.228 0.01 . . . . . . . 161 TRP CA . 52522 1 89 . 1 . 1 12 12 TRP CB C 13 29.630 0.00 . . . . . . . 161 TRP CB . 52522 1 90 . 1 . 1 12 12 TRP N N 15 116.544 0.01 . . . . . . . 161 TRP N . 52522 1 91 . 1 . 1 12 12 TRP NE1 N 15 127.862 0.01 . . . . . . . 161 TRP NE1 . 52522 1 92 . 1 . 1 13 13 SER H H 1 8.251 0.00 . . . . . . . 162 SER H . 52522 1 93 . 1 . 1 13 13 SER C C 13 177.046 0.00 . . . . . . . 162 SER C . 52522 1 94 . 1 . 1 13 13 SER CA C 13 62.243 0.06 . . . . . . . 162 SER CA . 52522 1 95 . 1 . 1 13 13 SER CB C 13 64.169 0.00 . . . . . . . 162 SER CB . 52522 1 96 . 1 . 1 13 13 SER N N 15 113.718 0.01 . . . . . . . 162 SER N . 52522 1 97 . 1 . 1 14 14 TYR H H 1 7.884 0.01 . . . . . . . 163 TYR H . 52522 1 98 . 1 . 1 14 14 TYR HB2 H 1 3.216 0.01 . . . . . . . 163 TYR HB2 . 52522 1 99 . 1 . 1 14 14 TYR HB3 H 1 3.101 0.00 . . . . . . . 163 TYR HB3 . 52522 1 100 . 1 . 1 14 14 TYR HD1 H 1 6.950 0.00 . . . . . . . 163 TYR HD# . 52522 1 101 . 1 . 1 14 14 TYR HD2 H 1 6.950 0.00 . . . . . . . 163 TYR HD# . 52522 1 102 . 1 . 1 14 14 TYR HE1 H 1 6.650 0.01 . . . . . . . 163 TYR HE# . 52522 1 103 . 1 . 1 14 14 TYR HE2 H 1 6.650 0.01 . . . . . . . 163 TYR HE# . 52522 1 104 . 1 . 1 14 14 TYR C C 13 177.710 0.00 . . . . . . . 163 TYR C . 52522 1 105 . 1 . 1 14 14 TYR CA C 13 59.352 0.03 . . . . . . . 163 TYR CA . 52522 1 106 . 1 . 1 14 14 TYR CB C 13 33.330 0.00 . . . . . . . 163 TYR CB . 52522 1 107 . 1 . 1 14 14 TYR N N 15 123.765 0.02 . . . . . . . 163 TYR N . 52522 1 108 . 1 . 1 15 15 TYR H H 1 8.305 0.00 . . . . . . . 164 TYR H . 52522 1 109 . 1 . 1 15 15 TYR HA H 1 3.995 0.00 . . . . . . . 164 TYR HA . 52522 1 110 . 1 . 1 15 15 TYR HB2 H 1 3.143 0.00 . . . . . . . 164 TYR HB2 . 52522 1 111 . 1 . 1 15 15 TYR HB3 H 1 2.603 0.00 . . . . . . . 164 TYR HB3 . 52522 1 112 . 1 . 1 15 15 TYR HD1 H 1 6.537 0.01 . . . . . . . 164 TYR HD# . 52522 1 113 . 1 . 1 15 15 TYR HD2 H 1 6.537 0.01 . . . . . . . 164 TYR HD# . 52522 1 114 . 1 . 1 15 15 TYR HE1 H 1 6.196 0.00 . . . . . . . 164 TYR HE# . 52522 1 115 . 1 . 1 15 15 TYR HE2 H 1 6.196 0.00 . . . . . . . 164 TYR HE# . 52522 1 116 . 1 . 1 15 15 TYR C C 13 176.521 0.00 . . . . . . . 164 TYR C . 52522 1 117 . 1 . 1 15 15 TYR CA C 13 61.749 0.07 . . . . . . . 164 TYR CA . 52522 1 118 . 1 . 1 15 15 TYR N N 15 115.353 0.08 . . . . . . . 164 TYR N . 52522 1 119 . 1 . 1 16 16 ILE H H 1 9.194 0.01 . . . . . . . 165 ILE H . 52522 1 120 . 1 . 1 16 16 ILE HG21 H 1 1.304 0.01 . . . . . . . 165 ILE HG2 . 52522 1 121 . 1 . 1 16 16 ILE HG22 H 1 1.304 0.01 . . . . . . . 165 ILE HG2 . 52522 1 122 . 1 . 1 16 16 ILE HG23 H 1 1.304 0.01 . . . . . . . 165 ILE HG2 . 52522 1 123 . 1 . 1 16 16 ILE HD11 H 1 0.750 0.00 . . . . . . . 165 ILE HD1 . 52522 1 124 . 1 . 1 16 16 ILE HD12 H 1 0.750 0.00 . . . . . . . 165 ILE HD1 . 52522 1 125 . 1 . 1 16 16 ILE HD13 H 1 0.750 0.00 . . . . . . . 165 ILE HD1 . 52522 1 126 . 1 . 1 16 16 ILE C C 13 175.830 0.00 . . . . . . . 165 ILE C . 52522 1 127 . 1 . 1 16 16 ILE CA C 13 63.151 0.03 . . . . . . . 165 ILE CA . 52522 1 128 . 1 . 1 16 16 ILE CB C 13 39.867 0.00 . . . . . . . 165 ILE CB . 52522 1 129 . 1 . 1 16 16 ILE CG2 C 13 20.777 0.04 . . . . . . . 165 ILE CG2 . 52522 1 130 . 1 . 1 16 16 ILE CD1 C 13 14.438 0.03 . . . . . . . 165 ILE CD1 . 52522 1 131 . 1 . 1 16 16 ILE N N 15 120.899 0.01 . . . . . . . 165 ILE N . 52522 1 132 . 1 . 1 17 17 GLY H H 1 8.722 0.00 . . . . . . . 166 GLY H . 52522 1 133 . 1 . 1 17 17 GLY HA2 H 1 4.061 0.00 . . . . . . . 166 GLY HA2 . 52522 1 134 . 1 . 1 17 17 GLY HA3 H 1 2.985 0.00 . . . . . . . 166 GLY HA3 . 52522 1 135 . 1 . 1 17 17 GLY C C 13 171.911 0.00 . . . . . . . 166 GLY C . 52522 1 136 . 1 . 1 17 17 GLY CA C 13 44.579 0.02 . . . . . . . 166 GLY CA . 52522 1 137 . 1 . 1 17 17 GLY N N 15 107.280 0.02 . . . . . . . 166 GLY N . 52522 1 138 . 1 . 1 18 18 TYR H H 1 6.500 0.00 . . . . . . . 167 TYR H . 52522 1 139 . 1 . 1 18 18 TYR HB2 H 1 3.041 0.00 . . . . . . . 167 TYR HB# . 52522 1 140 . 1 . 1 18 18 TYR HB3 H 1 3.041 0.00 . . . . . . . 167 TYR HB# . 52522 1 141 . 1 . 1 18 18 TYR HD1 H 1 6.352 0.00 . . . . . . . 167 TYR HD# . 52522 1 142 . 1 . 1 18 18 TYR HD2 H 1 6.352 0.00 . . . . . . . 167 TYR HD# . 52522 1 143 . 1 . 1 18 18 TYR HE1 H 1 6.426 0.01 . . . . . . . 167 TYR HE# . 52522 1 144 . 1 . 1 18 18 TYR HE2 H 1 6.426 0.01 . . . . . . . 167 TYR HE# . 52522 1 145 . 1 . 1 18 18 TYR C C 13 177.719 0.00 . . . . . . . 167 TYR C . 52522 1 146 . 1 . 1 18 18 TYR CA C 13 60.772 0.03 . . . . . . . 167 TYR CA . 52522 1 147 . 1 . 1 18 18 TYR CB C 13 39.559 0.00 . . . . . . . 167 TYR CB . 52522 1 148 . 1 . 1 18 18 TYR N N 15 117.331 0.01 . . . . . . . 167 TYR N . 52522 1 149 . 1 . 1 19 19 LEU H H 1 8.060 0.01 . . . . . . . 168 LEU H . 52522 1 150 . 1 . 1 19 19 LEU HD11 H 1 0.622 0.00 . . . . . . . 168 LEU HD1 . 52522 1 151 . 1 . 1 19 19 LEU HD12 H 1 0.622 0.00 . . . . . . . 168 LEU HD1 . 52522 1 152 . 1 . 1 19 19 LEU HD13 H 1 0.622 0.00 . . . . . . . 168 LEU HD1 . 52522 1 153 . 1 . 1 19 19 LEU HD21 H 1 0.438 0.00 . . . . . . . 168 LEU HD2 . 52522 1 154 . 1 . 1 19 19 LEU HD22 H 1 0.438 0.00 . . . . . . . 168 LEU HD2 . 52522 1 155 . 1 . 1 19 19 LEU HD23 H 1 0.438 0.00 . . . . . . . 168 LEU HD2 . 52522 1 156 . 1 . 1 19 19 LEU C C 13 177.810 0.00 . . . . . . . 168 LEU C . 52522 1 157 . 1 . 1 19 19 LEU CA C 13 58.516 0.02 . . . . . . . 168 LEU CA . 52522 1 158 . 1 . 1 19 19 LEU CD1 C 13 26.649 0.04 . . . . . . . 168 LEU CD1 . 52522 1 159 . 1 . 1 19 19 LEU CD2 C 13 21.787 0.03 . . . . . . . 168 LEU CD2 . 52522 1 160 . 1 . 1 19 19 LEU N N 15 122.548 0.03 . . . . . . . 168 LEU N . 52522 1 161 . 1 . 1 20 20 ARG H H 1 8.559 0.00 . . . . . . . 169 ARG H . 52522 1 162 . 1 . 1 20 20 ARG C C 13 175.393 0.00 . . . . . . . 169 ARG C . 52522 1 163 . 1 . 1 20 20 ARG CA C 13 58.128 0.03 . . . . . . . 169 ARG CA . 52522 1 164 . 1 . 1 20 20 ARG N N 15 116.366 0.02 . . . . . . . 169 ARG N . 52522 1 165 . 1 . 1 21 21 LEU H H 1 6.370 0.00 . . . . . . . 170 LEU H . 52522 1 166 . 1 . 1 21 21 LEU HG H 1 1.133 0.00 . . . . . . . 170 LEU HG . 52522 1 167 . 1 . 1 21 21 LEU HD11 H 1 0.530 0.00 . . . . . . . 170 LEU HD1 . 52522 1 168 . 1 . 1 21 21 LEU HD12 H 1 0.530 0.00 . . . . . . . 170 LEU HD1 . 52522 1 169 . 1 . 1 21 21 LEU HD13 H 1 0.530 0.00 . . . . . . . 170 LEU HD1 . 52522 1 170 . 1 . 1 21 21 LEU C C 13 178.736 0.00 . . . . . . . 170 LEU C . 52522 1 171 . 1 . 1 21 21 LEU CA C 13 55.592 0.01 . . . . . . . 170 LEU CA . 52522 1 172 . 1 . 1 21 21 LEU CG C 13 28.021 0.00 . . . . . . . 170 LEU CG . 52522 1 173 . 1 . 1 21 21 LEU CD1 C 13 25.172 0.01 . . . . . . . 170 LEU CD1 . 52522 1 174 . 1 . 1 21 21 LEU N N 15 113.662 0.01 . . . . . . . 170 LEU N . 52522 1 175 . 1 . 1 22 22 ILE H H 1 7.172 0.00 . . . . . . . 171 ILE H . 52522 1 176 . 1 . 1 22 22 ILE HG21 H 1 0.285 0.00 . . . . . . . 171 ILE HG2 . 52522 1 177 . 1 . 1 22 22 ILE HG22 H 1 0.285 0.00 . . . . . . . 171 ILE HG2 . 52522 1 178 . 1 . 1 22 22 ILE HG23 H 1 0.285 0.00 . . . . . . . 171 ILE HG2 . 52522 1 179 . 1 . 1 22 22 ILE HD11 H 1 0.274 0.00 . . . . . . . 171 ILE HD1 . 52522 1 180 . 1 . 1 22 22 ILE HD12 H 1 0.274 0.00 . . . . . . . 171 ILE HD1 . 52522 1 181 . 1 . 1 22 22 ILE HD13 H 1 0.274 0.00 . . . . . . . 171 ILE HD1 . 52522 1 182 . 1 . 1 22 22 ILE CA C 13 61.013 0.00 . . . . . . . 171 ILE CA . 52522 1 183 . 1 . 1 22 22 ILE CG2 C 13 17.883 0.02 . . . . . . . 171 ILE CG2 . 52522 1 184 . 1 . 1 22 22 ILE CD1 C 13 13.771 0.02 . . . . . . . 171 ILE CD1 . 52522 1 185 . 1 . 1 22 22 ILE N N 15 115.197 0.02 . . . . . . . 171 ILE N . 52522 1 186 . 1 . 1 23 23 LEU H H 1 8.073 0.00 . . . . . . . 172 LEU H . 52522 1 187 . 1 . 1 23 23 LEU HD11 H 1 0.694 0.00 . . . . . . . 172 LEU HD1 . 52522 1 188 . 1 . 1 23 23 LEU HD12 H 1 0.694 0.00 . . . . . . . 172 LEU HD1 . 52522 1 189 . 1 . 1 23 23 LEU HD13 H 1 0.694 0.00 . . . . . . . 172 LEU HD1 . 52522 1 190 . 1 . 1 23 23 LEU HD21 H 1 0.623 0.00 . . . . . . . 172 LEU HD2 . 52522 1 191 . 1 . 1 23 23 LEU HD22 H 1 0.623 0.00 . . . . . . . 172 LEU HD2 . 52522 1 192 . 1 . 1 23 23 LEU HD23 H 1 0.623 0.00 . . . . . . . 172 LEU HD2 . 52522 1 193 . 1 . 1 23 23 LEU CA C 13 59.215 0.00 . . . . . . . 172 LEU CA . 52522 1 194 . 1 . 1 23 23 LEU CD1 C 13 26.306 0.01 . . . . . . . 172 LEU CD1 . 52522 1 195 . 1 . 1 23 23 LEU CD2 C 13 22.654 0.03 . . . . . . . 172 LEU CD2 . 52522 1 196 . 1 . 1 23 23 LEU N N 15 122.502 0.05 . . . . . . . 172 LEU N . 52522 1 197 . 1 . 1 25 25 GLU H H 1 6.989 0.00 . . . . . . . 174 GLU H . 52522 1 198 . 1 . 1 25 25 GLU HB2 H 1 2.173 0.00 . . . . . . . 174 GLU HB2 . 52522 1 199 . 1 . 1 25 25 GLU HB3 H 1 1.764 0.00 . . . . . . . 174 GLU HB3 . 52522 1 200 . 1 . 1 25 25 GLU C C 13 176.526 0.00 . . . . . . . 174 GLU C . 52522 1 201 . 1 . 1 25 25 GLU CA C 13 55.395 0.01 . . . . . . . 174 GLU CA . 52522 1 202 . 1 . 1 25 25 GLU CB C 13 30.302 0.00 . . . . . . . 174 GLU CB . 52522 1 203 . 1 . 1 25 25 GLU N N 15 113.228 0.00 . . . . . . . 174 GLU N . 52522 1 204 . 1 . 1 26 26 LEU H H 1 7.401 0.00 . . . . . . . 175 LEU H . 52522 1 205 . 1 . 1 26 26 LEU HD11 H 1 0.697 0.00 . . . . . . . 175 LEU HD1 . 52522 1 206 . 1 . 1 26 26 LEU HD12 H 1 0.697 0.00 . . . . . . . 175 LEU HD1 . 52522 1 207 . 1 . 1 26 26 LEU HD13 H 1 0.697 0.00 . . . . . . . 175 LEU HD1 . 52522 1 208 . 1 . 1 26 26 LEU HD21 H 1 0.594 0.00 . . . . . . . 175 LEU HD2 . 52522 1 209 . 1 . 1 26 26 LEU HD22 H 1 0.594 0.00 . . . . . . . 175 LEU HD2 . 52522 1 210 . 1 . 1 26 26 LEU HD23 H 1 0.594 0.00 . . . . . . . 175 LEU HD2 . 52522 1 211 . 1 . 1 26 26 LEU C C 13 178.515 0.00 . . . . . . . 175 LEU C . 52522 1 212 . 1 . 1 26 26 LEU CA C 13 59.016 0.03 . . . . . . . 175 LEU CA . 52522 1 213 . 1 . 1 26 26 LEU CD1 C 13 27.655 0.04 . . . . . . . 175 LEU CD1 . 52522 1 214 . 1 . 1 26 26 LEU CD2 C 13 24.218 0.01 . . . . . . . 175 LEU CD2 . 52522 1 215 . 1 . 1 26 26 LEU N N 15 122.767 0.03 . . . . . . . 175 LEU N . 52522 1 216 . 1 . 1 27 27 GLN H H 1 8.605 0.00 . . . . . . . 176 GLN H . 52522 1 217 . 1 . 1 27 27 GLN HB2 H 1 2.020 0.00 . . . . . . . 176 GLN HB# . 52522 1 218 . 1 . 1 27 27 GLN HB3 H 1 2.020 0.00 . . . . . . . 176 GLN HB# . 52522 1 219 . 1 . 1 27 27 GLN HG2 H 1 2.471 0.00 . . . . . . . 176 GLN HG2 . 52522 1 220 . 1 . 1 27 27 GLN HG3 H 1 2.286 0.00 . . . . . . . 176 GLN HG3 . 52522 1 221 . 1 . 1 27 27 GLN C C 13 178.441 0.03 . . . . . . . 176 GLN C . 52522 1 222 . 1 . 1 27 27 GLN CA C 13 59.875 0.05 . . . . . . . 176 GLN CA . 52522 1 223 . 1 . 1 27 27 GLN CB C 13 27.852 0.00 . . . . . . . 176 GLN CB . 52522 1 224 . 1 . 1 27 27 GLN N N 15 116.685 0.03 . . . . . . . 176 GLN N . 52522 1 225 . 1 . 1 28 28 ALA H H 1 8.001 0.00 . . . . . . . 177 ALA H . 52522 1 226 . 1 . 1 28 28 ALA HB1 H 1 1.430 0.00 . . . . . . . 177 ALA HB . 52522 1 227 . 1 . 1 28 28 ALA HB2 H 1 1.430 0.00 . . . . . . . 177 ALA HB . 52522 1 228 . 1 . 1 28 28 ALA HB3 H 1 1.430 0.00 . . . . . . . 177 ALA HB . 52522 1 229 . 1 . 1 28 28 ALA C C 13 180.641 0.05 . . . . . . . 177 ALA C . 52522 1 230 . 1 . 1 28 28 ALA CA C 13 55.219 0.02 . . . . . . . 177 ALA CA . 52522 1 231 . 1 . 1 28 28 ALA CB C 13 18.160 0.02 . . . . . . . 177 ALA CB . 52522 1 232 . 1 . 1 28 28 ALA N N 15 123.193 0.04 . . . . . . . 177 ALA N . 52522 1 233 . 1 . 1 29 29 ARG H H 1 7.860 0.00 . . . . . . . 178 ARG H . 52522 1 234 . 1 . 1 29 29 ARG C C 13 179.305 0.02 . . . . . . . 178 ARG C . 52522 1 235 . 1 . 1 29 29 ARG CA C 13 59.649 0.01 . . . . . . . 178 ARG CA . 52522 1 236 . 1 . 1 29 29 ARG N N 15 120.153 0.02 . . . . . . . 178 ARG N . 52522 1 237 . 1 . 1 30 30 ILE H H 1 8.369 0.01 . . . . . . . 179 ILE H . 52522 1 238 . 1 . 1 30 30 ILE HG21 H 1 0.723 0.01 . . . . . . . 179 ILE HG2 . 52522 1 239 . 1 . 1 30 30 ILE HG22 H 1 0.723 0.01 . . . . . . . 179 ILE HG2 . 52522 1 240 . 1 . 1 30 30 ILE HG23 H 1 0.723 0.01 . . . . . . . 179 ILE HG2 . 52522 1 241 . 1 . 1 30 30 ILE HD11 H 1 0.716 0.00 . . . . . . . 179 ILE HD1 . 52522 1 242 . 1 . 1 30 30 ILE HD12 H 1 0.716 0.00 . . . . . . . 179 ILE HD1 . 52522 1 243 . 1 . 1 30 30 ILE HD13 H 1 0.716 0.00 . . . . . . . 179 ILE HD1 . 52522 1 244 . 1 . 1 30 30 ILE C C 13 177.245 0.00 . . . . . . . 179 ILE C . 52522 1 245 . 1 . 1 30 30 ILE CA C 13 66.095 0.04 . . . . . . . 179 ILE CA . 52522 1 246 . 1 . 1 30 30 ILE CG2 C 13 17.982 0.03 . . . . . . . 179 ILE CG2 . 52522 1 247 . 1 . 1 30 30 ILE CD1 C 13 13.820 0.00 . . . . . . . 179 ILE CD1 . 52522 1 248 . 1 . 1 30 30 ILE N N 15 122.225 0.02 . . . . . . . 179 ILE N . 52522 1 249 . 1 . 1 31 31 ARG H H 1 8.525 0.00 . . . . . . . 180 ARG H . 52522 1 250 . 1 . 1 31 31 ARG HB2 H 1 1.873 0.00 . . . . . . . 180 ARG HB2 . 52522 1 251 . 1 . 1 31 31 ARG HB3 H 1 1.736 0.00 . . . . . . . 180 ARG HB3 . 52522 1 252 . 1 . 1 31 31 ARG C C 13 179.459 0.00 . . . . . . . 180 ARG C . 52522 1 253 . 1 . 1 31 31 ARG CA C 13 60.229 0.02 . . . . . . . 180 ARG CA . 52522 1 254 . 1 . 1 31 31 ARG CB C 13 30.072 0.00 . . . . . . . 180 ARG CB . 52522 1 255 . 1 . 1 31 31 ARG N N 15 121.222 0.05 . . . . . . . 180 ARG N . 52522 1 256 . 1 . 1 32 32 THR H H 1 8.024 0.00 . . . . . . . 181 THR H . 52522 1 257 . 1 . 1 32 32 THR HG21 H 1 1.196 0.00 . . . . . . . 181 THR HG2 . 52522 1 258 . 1 . 1 32 32 THR HG22 H 1 1.196 0.00 . . . . . . . 181 THR HG2 . 52522 1 259 . 1 . 1 32 32 THR HG23 H 1 1.196 0.00 . . . . . . . 181 THR HG2 . 52522 1 260 . 1 . 1 32 32 THR C C 13 175.964 0.00 . . . . . . . 181 THR C . 52522 1 261 . 1 . 1 32 32 THR CA C 13 66.962 0.01 . . . . . . . 181 THR CA . 52522 1 262 . 1 . 1 32 32 THR CB C 13 68.600 0.00 . . . . . . . 181 THR CB . 52522 1 263 . 1 . 1 32 32 THR CG2 C 13 21.891 0.00 . . . . . . . 181 THR CG2 . 52522 1 264 . 1 . 1 32 32 THR N N 15 116.966 0.01 . . . . . . . 181 THR N . 52522 1 265 . 1 . 1 33 33 TYR H H 1 7.886 0.00 . . . . . . . 182 TYR H . 52522 1 266 . 1 . 1 33 33 TYR HB2 H 1 3.073 0.00 . . . . . . . 182 TYR HB2 . 52522 1 267 . 1 . 1 33 33 TYR HB3 H 1 2.771 0.00 . . . . . . . 182 TYR HB3 . 52522 1 268 . 1 . 1 33 33 TYR HD1 H 1 6.734 0.00 . . . . . . . 182 TYR HD# . 52522 1 269 . 1 . 1 33 33 TYR HD2 H 1 6.734 0.00 . . . . . . . 182 TYR HD# . 52522 1 270 . 1 . 1 33 33 TYR HE1 H 1 6.364 0.00 . . . . . . . 182 TYR HE# . 52522 1 271 . 1 . 1 33 33 TYR HE2 H 1 6.364 0.00 . . . . . . . 182 TYR HE# . 52522 1 272 . 1 . 1 33 33 TYR C C 13 177.672 0.00 . . . . . . . 182 TYR C . 52522 1 273 . 1 . 1 33 33 TYR CA C 13 62.748 0.03 . . . . . . . 182 TYR CA . 52522 1 274 . 1 . 1 33 33 TYR N N 15 124.695 0.02 . . . . . . . 182 TYR N . 52522 1 275 . 1 . 1 34 34 ASN H H 1 8.807 0.00 . . . . . . . 183 ASN H . 52522 1 276 . 1 . 1 34 34 ASN HB2 H 1 3.043 0.00 . . . . . . . 183 ASN HB2 . 52522 1 277 . 1 . 1 34 34 ASN HB3 H 1 2.812 0.00 . . . . . . . 183 ASN HB3 . 52522 1 278 . 1 . 1 34 34 ASN C C 13 177.608 0.00 . . . . . . . 183 ASN C . 52522 1 279 . 1 . 1 34 34 ASN CA C 13 55.103 0.02 . . . . . . . 183 ASN CA . 52522 1 280 . 1 . 1 34 34 ASN CB C 13 38.227 0.00 . . . . . . . 183 ASN CB . 52522 1 281 . 1 . 1 34 34 ASN N N 15 117.928 0.02 . . . . . . . 183 ASN N . 52522 1 282 . 1 . 1 35 35 GLN H H 1 7.885 0.00 . . . . . . . 184 GLN H . 52522 1 283 . 1 . 1 35 35 GLN HB2 H 1 2.014 0.00 . . . . . . . 184 GLN HB2 . 52522 1 284 . 1 . 1 35 35 GLN HB3 H 1 1.865 0.00 . . . . . . . 184 GLN HB3 . 52522 1 285 . 1 . 1 35 35 GLN HG2 H 1 2.328 0.00 . . . . . . . 184 GLN HG2 . 52522 1 286 . 1 . 1 35 35 GLN HG3 H 1 2.157 0.00 . . . . . . . 184 GLN HG3 . 52522 1 287 . 1 . 1 35 35 GLN C C 13 177.416 0.01 . . . . . . . 184 GLN C . 52522 1 288 . 1 . 1 35 35 GLN CA C 13 57.967 0.01 . . . . . . . 184 GLN CA . 52522 1 289 . 1 . 1 35 35 GLN CB C 13 28.634 0.00 . . . . . . . 184 GLN CB . 52522 1 290 . 1 . 1 35 35 GLN N N 15 118.453 0.02 . . . . . . . 184 GLN N . 52522 1 291 . 1 . 1 36 36 HIS H H 1 7.550 0.00 . . . . . . . 185 HIS H . 52522 1 292 . 1 . 1 36 36 HIS HB2 H 1 2.728 0.00 . . . . . . . 185 HIS HB2 . 52522 1 293 . 1 . 1 36 36 HIS HB3 H 1 2.568 0.00 . . . . . . . 185 HIS HB3 . 52522 1 294 . 1 . 1 36 36 HIS C C 13 176.209 0.00 . . . . . . . 185 HIS C . 52522 1 295 . 1 . 1 36 36 HIS CA C 13 57.460 0.05 . . . . . . . 185 HIS CA . 52522 1 296 . 1 . 1 36 36 HIS N N 15 117.598 0.02 . . . . . . . 185 HIS N . 52522 1 297 . 1 . 1 37 37 TYR H H 1 7.877 0.01 . . . . . . . 186 TYR H . 52522 1 298 . 1 . 1 37 37 TYR CA C 13 58.535 0.00 . . . . . . . 186 TYR CA . 52522 1 299 . 1 . 1 37 37 TYR N N 15 119.216 0.07 . . . . . . . 186 TYR N . 52522 1 300 . 1 . 1 38 38 ASN HB2 H 1 2.942 0.01 . . . . . . . 187 ASN HB2 . 52522 1 301 . 1 . 1 38 38 ASN HB3 H 1 2.657 0.01 . . . . . . . 187 ASN HB3 . 52522 1 302 . 1 . 1 38 38 ASN HD21 H 1 7.529 0.00 . . . . . . . 187 ASN HD21 . 52522 1 303 . 1 . 1 38 38 ASN HD22 H 1 6.773 0.01 . . . . . . . 187 ASN HD22 . 52522 1 304 . 1 . 1 38 38 ASN CB C 13 37.558 0.04 . . . . . . . 187 ASN CB . 52522 1 305 . 1 . 1 38 38 ASN ND2 N 15 114.382 0.01 . . . . . . . 187 ASN ND2 . 52522 1 306 . 1 . 1 44 44 ALA HA H 1 4.607 0.00 . . . . . . . 193 ALA HA . 52522 1 307 . 1 . 1 44 44 ALA HB1 H 1 1.118 0.00 . . . . . . . 193 ALA HB . 52522 1 308 . 1 . 1 44 44 ALA HB2 H 1 1.118 0.00 . . . . . . . 193 ALA HB . 52522 1 309 . 1 . 1 44 44 ALA HB3 H 1 1.118 0.00 . . . . . . . 193 ALA HB . 52522 1 310 . 1 . 1 44 44 ALA CB C 13 21.878 0.00 . . . . . . . 193 ALA CB . 52522 1 311 . 1 . 1 48 48 ARG HA H 1 4.085 0.00 . . . . . . . 197 ARG HA . 52522 1 312 . 1 . 1 48 48 ARG C C 13 173.359 0.00 . . . . . . . 197 ARG C . 52522 1 313 . 1 . 1 48 48 ARG CA C 13 54.995 0.00 . . . . . . . 197 ARG CA . 52522 1 314 . 1 . 1 49 49 LEU H H 1 7.778 0.00 . . . . . . . 198 LEU H . 52522 1 315 . 1 . 1 49 49 LEU HA H 1 4.203 0.00 . . . . . . . 198 LEU HA . 52522 1 316 . 1 . 1 49 49 LEU HD11 H 1 0.556 0.00 . . . . . . . 198 LEU HD1 . 52522 1 317 . 1 . 1 49 49 LEU HD12 H 1 0.556 0.00 . . . . . . . 198 LEU HD1 . 52522 1 318 . 1 . 1 49 49 LEU HD13 H 1 0.556 0.00 . . . . . . . 198 LEU HD1 . 52522 1 319 . 1 . 1 49 49 LEU HD21 H 1 0.638 0.00 . . . . . . . 198 LEU HD2 . 52522 1 320 . 1 . 1 49 49 LEU HD22 H 1 0.638 0.00 . . . . . . . 198 LEU HD2 . 52522 1 321 . 1 . 1 49 49 LEU HD23 H 1 0.638 0.00 . . . . . . . 198 LEU HD2 . 52522 1 322 . 1 . 1 49 49 LEU C C 13 174.365 0.00 . . . . . . . 198 LEU C . 52522 1 323 . 1 . 1 49 49 LEU CA C 13 54.324 0.02 . . . . . . . 198 LEU CA . 52522 1 324 . 1 . 1 49 49 LEU CD1 C 13 26.623 0.00 . . . . . . . 198 LEU CD1 . 52522 1 325 . 1 . 1 49 49 LEU CD2 C 13 23.513 0.04 . . . . . . . 198 LEU CD2 . 52522 1 326 . 1 . 1 49 49 LEU N N 15 122.523 0.00 . . . . . . . 198 LEU N . 52522 1 327 . 1 . 1 50 50 TYR H H 1 8.147 0.00 . . . . . . . 199 TYR H . 52522 1 328 . 1 . 1 50 50 TYR HA H 1 4.667 0.00 . . . . . . . 199 TYR HA . 52522 1 329 . 1 . 1 50 50 TYR HD1 H 1 6.848 0.00 . . . . . . . 199 TYR HD# . 52522 1 330 . 1 . 1 50 50 TYR HD2 H 1 6.848 0.00 . . . . . . . 199 TYR HD# . 52522 1 331 . 1 . 1 50 50 TYR C C 13 173.709 0.00 . . . . . . . 199 TYR C . 52522 1 332 . 1 . 1 50 50 TYR CA C 13 58.604 0.01 . . . . . . . 199 TYR CA . 52522 1 333 . 1 . 1 50 50 TYR N N 15 128.572 0.01 . . . . . . . 199 TYR N . 52522 1 334 . 1 . 1 51 51 ILE H H 1 8.342 0.00 . . . . . . . 200 ILE H . 52522 1 335 . 1 . 1 51 51 ILE HA H 1 4.630 0.00 . . . . . . . 200 ILE HA . 52522 1 336 . 1 . 1 51 51 ILE HG21 H 1 0.839 0.00 . . . . . . . 200 ILE HG2 . 52522 1 337 . 1 . 1 51 51 ILE HG22 H 1 0.839 0.00 . . . . . . . 200 ILE HG2 . 52522 1 338 . 1 . 1 51 51 ILE HG23 H 1 0.839 0.00 . . . . . . . 200 ILE HG2 . 52522 1 339 . 1 . 1 51 51 ILE HD11 H 1 0.755 0.00 . . . . . . . 200 ILE HD1 . 52522 1 340 . 1 . 1 51 51 ILE HD12 H 1 0.755 0.00 . . . . . . . 200 ILE HD1 . 52522 1 341 . 1 . 1 51 51 ILE HD13 H 1 0.755 0.00 . . . . . . . 200 ILE HD1 . 52522 1 342 . 1 . 1 51 51 ILE C C 13 175.118 0.00 . . . . . . . 200 ILE C . 52522 1 343 . 1 . 1 51 51 ILE CA C 13 58.949 0.02 . . . . . . . 200 ILE CA . 52522 1 344 . 1 . 1 51 51 ILE CG2 C 13 18.663 0.01 . . . . . . . 200 ILE CG2 . 52522 1 345 . 1 . 1 51 51 ILE CD1 C 13 13.874 0.00 . . . . . . . 200 ILE CD1 . 52522 1 346 . 1 . 1 51 51 ILE N N 15 123.882 0.01 . . . . . . . 200 ILE N . 52522 1 347 . 1 . 1 52 52 LEU H H 1 8.935 0.00 . . . . . . . 201 LEU H . 52522 1 348 . 1 . 1 52 52 LEU HD11 H 1 0.094 0.01 . . . . . . . 201 LEU HD1 . 52522 1 349 . 1 . 1 52 52 LEU HD12 H 1 0.094 0.01 . . . . . . . 201 LEU HD1 . 52522 1 350 . 1 . 1 52 52 LEU HD13 H 1 0.094 0.01 . . . . . . . 201 LEU HD1 . 52522 1 351 . 1 . 1 52 52 LEU HD21 H 1 0.384 0.00 . . . . . . . 201 LEU HD2 . 52522 1 352 . 1 . 1 52 52 LEU HD22 H 1 0.384 0.00 . . . . . . . 201 LEU HD2 . 52522 1 353 . 1 . 1 52 52 LEU HD23 H 1 0.384 0.00 . . . . . . . 201 LEU HD2 . 52522 1 354 . 1 . 1 52 52 LEU C C 13 175.493 0.00 . . . . . . . 201 LEU C . 52522 1 355 . 1 . 1 52 52 LEU CA C 13 54.472 0.03 . . . . . . . 201 LEU CA . 52522 1 356 . 1 . 1 52 52 LEU CD1 C 13 25.828 0.01 . . . . . . . 201 LEU CD1 . 52522 1 357 . 1 . 1 52 52 LEU CD2 C 13 24.489 0.01 . . . . . . . 201 LEU CD2 . 52522 1 358 . 1 . 1 52 52 LEU N N 15 127.383 0.04 . . . . . . . 201 LEU N . 52522 1 359 . 1 . 1 53 53 LEU H H 1 8.934 0.00 . . . . . . . 202 LEU H . 52522 1 360 . 1 . 1 53 53 LEU HD11 H 1 0.903 0.00 . . . . . . . 202 LEU HD1 . 52522 1 361 . 1 . 1 53 53 LEU HD12 H 1 0.903 0.00 . . . . . . . 202 LEU HD1 . 52522 1 362 . 1 . 1 53 53 LEU HD13 H 1 0.903 0.00 . . . . . . . 202 LEU HD1 . 52522 1 363 . 1 . 1 53 53 LEU HD21 H 1 0.880 0.00 . . . . . . . 202 LEU HD2 . 52522 1 364 . 1 . 1 53 53 LEU HD22 H 1 0.880 0.00 . . . . . . . 202 LEU HD2 . 52522 1 365 . 1 . 1 53 53 LEU HD23 H 1 0.880 0.00 . . . . . . . 202 LEU HD2 . 52522 1 366 . 1 . 1 53 53 LEU CA C 13 52.657 0.00 . . . . . . . 202 LEU CA . 52522 1 367 . 1 . 1 53 53 LEU CD1 C 13 27.245 0.01 . . . . . . . 202 LEU CD1 . 52522 1 368 . 1 . 1 53 53 LEU CD2 C 13 28.593 0.01 . . . . . . . 202 LEU CD2 . 52522 1 369 . 1 . 1 53 53 LEU N N 15 125.244 0.04 . . . . . . . 202 LEU N . 52522 1 370 . 1 . 1 54 54 PRO C C 13 179.037 0.00 . . . . . . . 203 PRO C . 52522 1 371 . 1 . 1 54 54 PRO CA C 13 60.953 0.02 . . . . . . . 203 PRO CA . 52522 1 372 . 1 . 1 55 55 LEU H H 1 8.421 0.00 . . . . . . . 204 LEU H . 52522 1 373 . 1 . 1 55 55 LEU HA H 1 3.729 0.00 . . . . . . . 204 LEU HA . 52522 1 374 . 1 . 1 55 55 LEU HD11 H 1 0.659 0.00 . . . . . . . 204 LEU HD1 . 52522 1 375 . 1 . 1 55 55 LEU HD12 H 1 0.659 0.00 . . . . . . . 204 LEU HD1 . 52522 1 376 . 1 . 1 55 55 LEU HD13 H 1 0.659 0.00 . . . . . . . 204 LEU HD1 . 52522 1 377 . 1 . 1 55 55 LEU HD21 H 1 0.581 0.00 . . . . . . . 204 LEU HD2 . 52522 1 378 . 1 . 1 55 55 LEU HD22 H 1 0.581 0.00 . . . . . . . 204 LEU HD2 . 52522 1 379 . 1 . 1 55 55 LEU HD23 H 1 0.581 0.00 . . . . . . . 204 LEU HD2 . 52522 1 380 . 1 . 1 55 55 LEU C C 13 176.960 0.00 . . . . . . . 204 LEU C . 52522 1 381 . 1 . 1 55 55 LEU CA C 13 56.736 0.02 . . . . . . . 204 LEU CA . 52522 1 382 . 1 . 1 55 55 LEU CB C 13 40.915 0.00 . . . . . . . 204 LEU CB . 52522 1 383 . 1 . 1 55 55 LEU CD1 C 13 25.546 0.01 . . . . . . . 204 LEU CD1 . 52522 1 384 . 1 . 1 55 55 LEU CD2 C 13 22.637 0.01 . . . . . . . 204 LEU CD2 . 52522 1 385 . 1 . 1 55 55 LEU N N 15 127.771 0.01 . . . . . . . 204 LEU N . 52522 1 386 . 1 . 1 56 56 ASP H H 1 7.934 0.00 . . . . . . . 205 ASP H . 52522 1 387 . 1 . 1 56 56 ASP C C 13 176.396 0.03 . . . . . . . 205 ASP C . 52522 1 388 . 1 . 1 56 56 ASP CA C 13 54.202 0.01 . . . . . . . 205 ASP CA . 52522 1 389 . 1 . 1 56 56 ASP CB C 13 40.659 0.00 . . . . . . . 205 ASP CB . 52522 1 390 . 1 . 1 56 56 ASP N N 15 114.467 0.01 . . . . . . . 205 ASP N . 52522 1 391 . 1 . 1 57 57 CYS H H 1 8.229 0.00 . . . . . . . 206 CYS H . 52522 1 392 . 1 . 1 57 57 CYS HA H 1 3.414 0.00 . . . . . . . 206 CYS HA . 52522 1 393 . 1 . 1 57 57 CYS C C 13 172.224 0.00 . . . . . . . 206 CYS C . 52522 1 394 . 1 . 1 57 57 CYS CA C 13 60.920 0.02 . . . . . . . 206 CYS CA . 52522 1 395 . 1 . 1 57 57 CYS CB C 13 25.723 0.00 . . . . . . . 206 CYS CB . 52522 1 396 . 1 . 1 57 57 CYS N N 15 109.198 0.02 . . . . . . . 206 CYS N . 52522 1 397 . 1 . 1 58 58 GLY H H 1 7.981 0.00 . . . . . . . 207 GLY H . 52522 1 398 . 1 . 1 58 58 GLY HA2 H 1 3.191 0.00 . . . . . . . 207 GLY HA2 . 52522 1 399 . 1 . 1 58 58 GLY HA3 H 1 2.925 0.00 . . . . . . . 207 GLY HA3 . 52522 1 400 . 1 . 1 58 58 GLY C C 13 172.526 0.09 . . . . . . . 207 GLY C . 52522 1 401 . 1 . 1 58 58 GLY CA C 13 45.701 0.04 . . . . . . . 207 GLY CA . 52522 1 402 . 1 . 1 58 58 GLY N N 15 108.307 0.04 . . . . . . . 207 GLY N . 52522 1 403 . 1 . 1 59 59 VAL H H 1 7.562 0.00 . . . . . . . 208 VAL H . 52522 1 404 . 1 . 1 59 59 VAL HB H 1 1.278 0.00 . . . . . . . 208 VAL HB . 52522 1 405 . 1 . 1 59 59 VAL HG11 H 1 0.224 0.00 . . . . . . . 208 VAL HG1 . 52522 1 406 . 1 . 1 59 59 VAL HG12 H 1 0.224 0.00 . . . . . . . 208 VAL HG1 . 52522 1 407 . 1 . 1 59 59 VAL HG13 H 1 0.224 0.00 . . . . . . . 208 VAL HG1 . 52522 1 408 . 1 . 1 59 59 VAL HG21 H 1 0.126 0.00 . . . . . . . 208 VAL HG2 . 52522 1 409 . 1 . 1 59 59 VAL HG22 H 1 0.126 0.00 . . . . . . . 208 VAL HG2 . 52522 1 410 . 1 . 1 59 59 VAL HG23 H 1 0.126 0.00 . . . . . . . 208 VAL HG2 . 52522 1 411 . 1 . 1 59 59 VAL C C 13 173.299 0.00 . . . . . . . 208 VAL C . 52522 1 412 . 1 . 1 59 59 VAL CA C 13 58.774 0.00 . . . . . . . 208 VAL CA . 52522 1 413 . 1 . 1 59 59 VAL CG1 C 13 20.715 0.03 . . . . . . . 208 VAL CG1 . 52522 1 414 . 1 . 1 59 59 VAL CG2 C 13 20.152 0.02 . . . . . . . 208 VAL CG2 . 52522 1 415 . 1 . 1 59 59 VAL N N 15 127.477 0.02 . . . . . . . 208 VAL N . 52522 1 416 . 1 . 1 60 60 PRO HA H 1 4.195 0.00 . . . . . . . 209 PRO HA . 52522 1 417 . 1 . 1 60 60 PRO HB2 H 1 2.014 0.00 . . . . . . . 209 PRO HB2 . 52522 1 418 . 1 . 1 60 60 PRO HB3 H 1 1.737 0.00 . . . . . . . 209 PRO HB3 . 52522 1 419 . 1 . 1 60 60 PRO C C 13 176.016 0.00 . . . . . . . 209 PRO C . 52522 1 420 . 1 . 1 60 60 PRO CA C 13 62.013 0.02 . . . . . . . 209 PRO CA . 52522 1 421 . 1 . 1 60 60 PRO CB C 13 32.380 0.00 . . . . . . . 209 PRO CB . 52522 1 422 . 1 . 1 61 61 ASP H H 1 8.180 0.00 . . . . . . . 210 ASP H . 52522 1 423 . 1 . 1 61 61 ASP HB2 H 1 2.526 0.00 . . . . . . . 210 ASP HB2 . 52522 1 424 . 1 . 1 61 61 ASP C C 13 176.262 0.00 . . . . . . . 210 ASP C . 52522 1 425 . 1 . 1 61 61 ASP CA C 13 56.175 0.05 . . . . . . . 210 ASP CA . 52522 1 426 . 1 . 1 61 61 ASP CB C 13 41.050 0.00 . . . . . . . 210 ASP CB . 52522 1 427 . 1 . 1 61 61 ASP N N 15 119.393 0.03 . . . . . . . 210 ASP N . 52522 1 428 . 1 . 1 62 62 ASN H H 1 7.378 0.00 . . . . . . . 211 ASN H . 52522 1 429 . 1 . 1 62 62 ASN HB2 H 1 2.750 0.00 . . . . . . . 211 ASN HB2 . 52522 1 430 . 1 . 1 62 62 ASN HB3 H 1 2.517 0.00 . . . . . . . 211 ASN HB3 . 52522 1 431 . 1 . 1 62 62 ASN C C 13 175.624 0.00 . . . . . . . 211 ASN C . 52522 1 432 . 1 . 1 62 62 ASN CA C 13 52.166 0.00 . . . . . . . 211 ASN CA . 52522 1 433 . 1 . 1 62 62 ASN N N 15 113.745 0.02 . . . . . . . 211 ASN N . 52522 1 434 . 1 . 1 63 63 LEU HD11 H 1 0.527 0.00 . . . . . . . 212 LEU HD1 . 52522 1 435 . 1 . 1 63 63 LEU HD12 H 1 0.527 0.00 . . . . . . . 212 LEU HD1 . 52522 1 436 . 1 . 1 63 63 LEU HD13 H 1 0.527 0.00 . . . . . . . 212 LEU HD1 . 52522 1 437 . 1 . 1 63 63 LEU HD21 H 1 0.551 0.00 . . . . . . . 212 LEU HD2 . 52522 1 438 . 1 . 1 63 63 LEU HD22 H 1 0.551 0.00 . . . . . . . 212 LEU HD2 . 52522 1 439 . 1 . 1 63 63 LEU HD23 H 1 0.551 0.00 . . . . . . . 212 LEU HD2 . 52522 1 440 . 1 . 1 63 63 LEU CD1 C 13 24.783 0.02 . . . . . . . 212 LEU CD1 . 52522 1 441 . 1 . 1 63 63 LEU CD2 C 13 23.182 0.02 . . . . . . . 212 LEU CD2 . 52522 1 442 . 1 . 1 65 65 MET HE1 H 1 1.848 0.00 . . . . . . . 214 MET HE . 52522 1 443 . 1 . 1 65 65 MET HE2 H 1 1.848 0.00 . . . . . . . 214 MET HE . 52522 1 444 . 1 . 1 65 65 MET HE3 H 1 1.848 0.00 . . . . . . . 214 MET HE . 52522 1 445 . 1 . 1 65 65 MET CA C 13 59.121 0.03 . . . . . . . 214 MET CA . 52522 1 446 . 1 . 1 65 65 MET CE C 13 17.403 0.01 . . . . . . . 214 MET CE . 52522 1 447 . 1 . 1 66 66 ALA H H 1 7.616 0.01 . . . . . . . 215 ALA H . 52522 1 448 . 1 . 1 66 66 ALA HB1 H 1 1.400 0.00 . . . . . . . 215 ALA HB . 52522 1 449 . 1 . 1 66 66 ALA HB2 H 1 1.400 0.00 . . . . . . . 215 ALA HB . 52522 1 450 . 1 . 1 66 66 ALA HB3 H 1 1.400 0.00 . . . . . . . 215 ALA HB . 52522 1 451 . 1 . 1 66 66 ALA C C 13 178.120 0.00 . . . . . . . 215 ALA C . 52522 1 452 . 1 . 1 66 66 ALA CA C 13 53.628 0.01 . . . . . . . 215 ALA CA . 52522 1 453 . 1 . 1 66 66 ALA CB C 13 19.060 0.04 . . . . . . . 215 ALA CB . 52522 1 454 . 1 . 1 66 66 ALA N N 15 123.941 0.05 . . . . . . . 215 ALA N . 52522 1 455 . 1 . 1 67 67 ASP H H 1 7.433 0.01 . . . . . . . 216 ASP H . 52522 1 456 . 1 . 1 67 67 ASP HB2 H 1 2.641 0.00 . . . . . . . 216 ASP HB2 . 52522 1 457 . 1 . 1 67 67 ASP HB3 H 1 2.503 0.00 . . . . . . . 216 ASP HB3 . 52522 1 458 . 1 . 1 67 67 ASP C C 13 174.184 0.00 . . . . . . . 216 ASP C . 52522 1 459 . 1 . 1 67 67 ASP CA C 13 51.605 0.00 . . . . . . . 216 ASP CA . 52522 1 460 . 1 . 1 67 67 ASP N N 15 117.463 0.02 . . . . . . . 216 ASP N . 52522 1 461 . 1 . 1 68 68 PRO C C 13 177.293 0.00 . . . . . . . 217 PRO C . 52522 1 462 . 1 . 1 68 68 PRO CA C 13 63.980 0.03 . . . . . . . 217 PRO CA . 52522 1 463 . 1 . 1 68 68 PRO CB C 13 32.006 0.00 . . . . . . . 217 PRO CB . 52522 1 464 . 1 . 1 69 69 ASN H H 1 8.711 0.00 . . . . . . . 218 ASN H . 52522 1 465 . 1 . 1 69 69 ASN HD21 H 1 7.415 0.00 . . . . . . . 218 ASN HD21 . 52522 1 466 . 1 . 1 69 69 ASN HD22 H 1 6.832 0.00 . . . . . . . 218 ASN HD22 . 52522 1 467 . 1 . 1 69 69 ASN C C 13 173.317 0.03 . . . . . . . 218 ASN C . 52522 1 468 . 1 . 1 69 69 ASN CA C 13 53.754 0.01 . . . . . . . 218 ASN CA . 52522 1 469 . 1 . 1 69 69 ASN CB C 13 38.464 0.00 . . . . . . . 218 ASN CB . 52522 1 470 . 1 . 1 69 69 ASN N N 15 117.006 0.01 . . . . . . . 218 ASN N . 52522 1 471 . 1 . 1 69 69 ASN ND2 N 15 115.840 0.01 . . . . . . . 218 ASN ND2 . 52522 1 472 . 1 . 1 70 70 ILE H H 1 7.890 0.00 . . . . . . . 219 ILE H . 52522 1 473 . 1 . 1 70 70 ILE HB H 1 1.751 0.01 . . . . . . . 219 ILE HB . 52522 1 474 . 1 . 1 70 70 ILE HG21 H 1 0.383 0.00 . . . . . . . 219 ILE HG2 . 52522 1 475 . 1 . 1 70 70 ILE HG22 H 1 0.383 0.00 . . . . . . . 219 ILE HG2 . 52522 1 476 . 1 . 1 70 70 ILE HG23 H 1 0.383 0.00 . . . . . . . 219 ILE HG2 . 52522 1 477 . 1 . 1 70 70 ILE HD11 H 1 0.402 0.00 . . . . . . . 219 ILE HD1 . 52522 1 478 . 1 . 1 70 70 ILE HD12 H 1 0.402 0.00 . . . . . . . 219 ILE HD1 . 52522 1 479 . 1 . 1 70 70 ILE HD13 H 1 0.402 0.00 . . . . . . . 219 ILE HD1 . 52522 1 480 . 1 . 1 70 70 ILE C C 13 174.767 0.04 . . . . . . . 219 ILE C . 52522 1 481 . 1 . 1 70 70 ILE CA C 13 61.923 0.02 . . . . . . . 219 ILE CA . 52522 1 482 . 1 . 1 70 70 ILE CG2 C 13 18.035 0.03 . . . . . . . 219 ILE CG2 . 52522 1 483 . 1 . 1 70 70 ILE CD1 C 13 13.071 0.01 . . . . . . . 219 ILE CD1 . 52522 1 484 . 1 . 1 70 70 ILE N N 15 121.308 0.02 . . . . . . . 219 ILE N . 52522 1 485 . 1 . 1 71 71 ARG H H 1 8.924 0.00 . . . . . . . 220 ARG H . 52522 1 486 . 1 . 1 71 71 ARG C C 13 175.180 0.02 . . . . . . . 220 ARG C . 52522 1 487 . 1 . 1 71 71 ARG CA C 13 54.523 0.00 . . . . . . . 220 ARG CA . 52522 1 488 . 1 . 1 71 71 ARG CB C 13 33.549 0.00 . . . . . . . 220 ARG CB . 52522 1 489 . 1 . 1 71 71 ARG N N 15 125.316 0.02 . . . . . . . 220 ARG N . 52522 1 490 . 1 . 1 72 72 PHE H H 1 9.113 0.00 . . . . . . . 221 PHE H . 52522 1 491 . 1 . 1 72 72 PHE HB2 H 1 3.083 0.00 . . . . . . . 221 PHE HB2 . 52522 1 492 . 1 . 1 72 72 PHE HB3 H 1 2.756 0.00 . . . . . . . 221 PHE HB3 . 52522 1 493 . 1 . 1 72 72 PHE C C 13 173.821 0.00 . . . . . . . 221 PHE C . 52522 1 494 . 1 . 1 72 72 PHE CA C 13 60.306 0.02 . . . . . . . 221 PHE CA . 52522 1 495 . 1 . 1 72 72 PHE N N 15 128.464 0.03 . . . . . . . 221 PHE N . 52522 1 496 . 1 . 1 73 73 LEU H H 1 8.280 0.01 . . . . . . . 222 LEU H . 52522 1 497 . 1 . 1 73 73 LEU C C 13 174.720 0.00 . . . . . . . 222 LEU C . 52522 1 498 . 1 . 1 73 73 LEU CA C 13 55.232 0.01 . . . . . . . 222 LEU CA . 52522 1 499 . 1 . 1 73 73 LEU N N 15 129.474 0.02 . . . . . . . 222 LEU N . 52522 1 500 . 1 . 1 74 74 ASP H H 1 6.567 0.00 . . . . . . . 223 ASP H . 52522 1 501 . 1 . 1 74 74 ASP C C 13 174.239 0.00 . . . . . . . 223 ASP C . 52522 1 502 . 1 . 1 74 74 ASP CA C 13 53.071 0.05 . . . . . . . 223 ASP CA . 52522 1 503 . 1 . 1 74 74 ASP CB C 13 43.926 0.00 . . . . . . . 223 ASP CB . 52522 1 504 . 1 . 1 74 74 ASP N N 15 114.942 0.01 . . . . . . . 223 ASP N . 52522 1 505 . 1 . 1 75 75 LYS H H 1 8.586 0.02 . . . . . . . 224 LYS H . 52522 1 506 . 1 . 1 75 75 LYS C C 13 175.993 0.00 . . . . . . . 224 LYS C . 52522 1 507 . 1 . 1 75 75 LYS CA C 13 54.864 0.00 . . . . . . . 224 LYS CA . 52522 1 508 . 1 . 1 75 75 LYS N N 15 119.214 0.00 . . . . . . . 224 LYS N . 52522 1 509 . 1 . 1 76 76 LEU HD11 H 1 0.558 0.00 . . . . . . . 225 LEU HD1 . 52522 1 510 . 1 . 1 76 76 LEU HD12 H 1 0.558 0.00 . . . . . . . 225 LEU HD1 . 52522 1 511 . 1 . 1 76 76 LEU HD13 H 1 0.558 0.00 . . . . . . . 225 LEU HD1 . 52522 1 512 . 1 . 1 76 76 LEU HD21 H 1 0.834 0.00 . . . . . . . 225 LEU HD2 . 52522 1 513 . 1 . 1 76 76 LEU HD22 H 1 0.834 0.00 . . . . . . . 225 LEU HD2 . 52522 1 514 . 1 . 1 76 76 LEU HD23 H 1 0.834 0.00 . . . . . . . 225 LEU HD2 . 52522 1 515 . 1 . 1 76 76 LEU CD1 C 13 26.231 0.02 . . . . . . . 225 LEU CD1 . 52522 1 516 . 1 . 1 76 76 LEU CD2 C 13 24.944 0.00 . . . . . . . 225 LEU CD2 . 52522 1 517 . 1 . 1 77 77 PRO C C 13 176.945 0.00 . . . . . . . 226 PRO C . 52522 1 518 . 1 . 1 77 77 PRO CA C 13 63.490 0.03 . . . . . . . 226 PRO CA . 52522 1 519 . 1 . 1 77 77 PRO CB C 13 32.368 0.00 . . . . . . . 226 PRO CB . 52522 1 520 . 1 . 1 78 78 GLN H H 1 8.652 0.00 . . . . . . . 227 GLN H . 52522 1 521 . 1 . 1 78 78 GLN HA H 1 4.206 0.00 . . . . . . . 227 GLN HA . 52522 1 522 . 1 . 1 78 78 GLN C C 13 175.671 0.00 . . . . . . . 227 GLN C . 52522 1 523 . 1 . 1 78 78 GLN CA C 13 55.692 0.01 . . . . . . . 227 GLN CA . 52522 1 524 . 1 . 1 78 78 GLN CB C 13 29.890 0.00 . . . . . . . 227 GLN CB . 52522 1 525 . 1 . 1 78 78 GLN N N 15 122.545 0.01 . . . . . . . 227 GLN N . 52522 1 526 . 1 . 1 79 79 GLN H H 1 8.778 0.00 . . . . . . . 228 GLN H . 52522 1 527 . 1 . 1 79 79 GLN HA H 1 4.354 0.00 . . . . . . . 228 GLN HA . 52522 1 528 . 1 . 1 79 79 GLN HB2 H 1 1.985 0.00 . . . . . . . 228 GLN HB2 . 52522 1 529 . 1 . 1 79 79 GLN HB3 H 1 1.930 0.00 . . . . . . . 228 GLN HB3 . 52522 1 530 . 1 . 1 79 79 GLN HG2 H 1 2.254 0.00 . . . . . . . 228 GLN HG# . 52522 1 531 . 1 . 1 79 79 GLN HG3 H 1 2.254 0.00 . . . . . . . 228 GLN HG# . 52522 1 532 . 1 . 1 79 79 GLN C C 13 175.740 0.01 . . . . . . . 228 GLN C . 52522 1 533 . 1 . 1 79 79 GLN CA C 13 56.077 0.04 . . . . . . . 228 GLN CA . 52522 1 534 . 1 . 1 79 79 GLN CB C 13 29.878 0.01 . . . . . . . 228 GLN CB . 52522 1 535 . 1 . 1 79 79 GLN N N 15 122.636 0.02 . . . . . . . 228 GLN N . 52522 1 536 . 1 . 1 80 80 THR H H 1 8.206 0.00 . . . . . . . 229 THR H . 52522 1 537 . 1 . 1 80 80 THR HG21 H 1 0.802 0.00 . . . . . . . 229 THR HG2 . 52522 1 538 . 1 . 1 80 80 THR HG22 H 1 0.802 0.00 . . . . . . . 229 THR HG2 . 52522 1 539 . 1 . 1 80 80 THR HG23 H 1 0.802 0.00 . . . . . . . 229 THR HG2 . 52522 1 540 . 1 . 1 80 80 THR C C 13 174.355 0.01 . . . . . . . 229 THR C . 52522 1 541 . 1 . 1 80 80 THR CA C 13 61.919 0.03 . . . . . . . 229 THR CA . 52522 1 542 . 1 . 1 80 80 THR CB C 13 69.696 0.00 . . . . . . . 229 THR CB . 52522 1 543 . 1 . 1 80 80 THR CG2 C 13 21.669 0.02 . . . . . . . 229 THR CG2 . 52522 1 544 . 1 . 1 80 80 THR N N 15 116.558 0.03 . . . . . . . 229 THR N . 52522 1 545 . 1 . 1 81 81 ALA H H 1 8.286 0.00 . . . . . . . 230 ALA H . 52522 1 546 . 1 . 1 81 81 ALA HA H 1 4.230 0.01 . . . . . . . 230 ALA HA . 52522 1 547 . 1 . 1 81 81 ALA HB1 H 1 1.286 0.01 . . . . . . . 230 ALA HB . 52522 1 548 . 1 . 1 81 81 ALA HB2 H 1 1.286 0.01 . . . . . . . 230 ALA HB . 52522 1 549 . 1 . 1 81 81 ALA HB3 H 1 1.286 0.01 . . . . . . . 230 ALA HB . 52522 1 550 . 1 . 1 81 81 ALA C C 13 177.229 0.02 . . . . . . . 230 ALA C . 52522 1 551 . 1 . 1 81 81 ALA CA C 13 52.720 0.03 . . . . . . . 230 ALA CA . 52522 1 552 . 1 . 1 81 81 ALA CB C 13 19.432 0.03 . . . . . . . 230 ALA CB . 52522 1 553 . 1 . 1 81 81 ALA N N 15 126.915 0.03 . . . . . . . 230 ALA N . 52522 1 554 . 1 . 1 82 82 ASP H H 1 8.216 0.01 . . . . . . . 231 ASP H . 52522 1 555 . 1 . 1 82 82 ASP HA H 1 4.431 0.00 . . . . . . . 231 ASP HA . 52522 1 556 . 1 . 1 82 82 ASP HB2 H 1 2.544 0.00 . . . . . . . 231 ASP HB# . 52522 1 557 . 1 . 1 82 82 ASP HB3 H 1 2.544 0.00 . . . . . . . 231 ASP HB# . 52522 1 558 . 1 . 1 82 82 ASP C C 13 176.192 0.05 . . . . . . . 231 ASP C . 52522 1 559 . 1 . 1 82 82 ASP CA C 13 54.623 0.03 . . . . . . . 231 ASP CA . 52522 1 560 . 1 . 1 82 82 ASP CB C 13 41.076 0.03 . . . . . . . 231 ASP CB . 52522 1 561 . 1 . 1 82 82 ASP N N 15 119.685 0.01 . . . . . . . 231 ASP N . 52522 1 562 . 1 . 1 83 83 ARG H H 1 7.965 0.00 . . . . . . . 232 ARG H . 52522 1 563 . 1 . 1 83 83 ARG HA H 1 4.223 0.00 . . . . . . . 232 ARG HA . 52522 1 564 . 1 . 1 83 83 ARG C C 13 175.807 0.01 . . . . . . . 232 ARG C . 52522 1 565 . 1 . 1 83 83 ARG CA C 13 55.891 0.03 . . . . . . . 232 ARG CA . 52522 1 566 . 1 . 1 83 83 ARG CB C 13 30.745 0.00 . . . . . . . 232 ARG CB . 52522 1 567 . 1 . 1 83 83 ARG N N 15 121.141 0.01 . . . . . . . 232 ARG N . 52522 1 568 . 1 . 1 84 84 ALA H H 1 8.166 0.00 . . . . . . . 233 ALA H . 52522 1 569 . 1 . 1 84 84 ALA HB1 H 1 1.297 0.01 . . . . . . . 233 ALA HB . 52522 1 570 . 1 . 1 84 84 ALA HB2 H 1 1.297 0.01 . . . . . . . 233 ALA HB . 52522 1 571 . 1 . 1 84 84 ALA HB3 H 1 1.297 0.01 . . . . . . . 233 ALA HB . 52522 1 572 . 1 . 1 84 84 ALA C C 13 177.978 0.01 . . . . . . . 233 ALA C . 52522 1 573 . 1 . 1 84 84 ALA CA C 13 52.824 0.01 . . . . . . . 233 ALA CA . 52522 1 574 . 1 . 1 84 84 ALA CB C 13 19.171 0.03 . . . . . . . 233 ALA CB . 52522 1 575 . 1 . 1 84 84 ALA N N 15 125.010 0.01 . . . . . . . 233 ALA N . 52522 1 576 . 1 . 1 85 85 GLY H H 1 8.245 0.00 . . . . . . . 234 GLY H . 52522 1 577 . 1 . 1 85 85 GLY HA2 H 1 3.854 0.01 . . . . . . . 234 GLY HA# . 52522 1 578 . 1 . 1 85 85 GLY HA3 H 1 3.854 0.01 . . . . . . . 234 GLY HA# . 52522 1 579 . 1 . 1 85 85 GLY C C 13 174.081 0.00 . . . . . . . 234 GLY C . 52522 1 580 . 1 . 1 85 85 GLY CA C 13 45.451 0.02 . . . . . . . 234 GLY CA . 52522 1 581 . 1 . 1 85 85 GLY N N 15 108.738 0.03 . . . . . . . 234 GLY N . 52522 1 582 . 1 . 1 86 86 ILE H H 1 7.825 0.00 . . . . . . . 235 ILE H . 52522 1 583 . 1 . 1 86 86 ILE HA H 1 4.068 0.00 . . . . . . . 235 ILE HA . 52522 1 584 . 1 . 1 86 86 ILE HB H 1 1.745 0.00 . . . . . . . 235 ILE HB . 52522 1 585 . 1 . 1 86 86 ILE HG12 H 1 1.328 0.00 . . . . . . . 235 ILE HG12 . 52522 1 586 . 1 . 1 86 86 ILE HG13 H 1 1.023 0.00 . . . . . . . 235 ILE HG13 . 52522 1 587 . 1 . 1 86 86 ILE HG21 H 1 0.793 0.00 . . . . . . . 235 ILE HG2 . 52522 1 588 . 1 . 1 86 86 ILE HG22 H 1 0.793 0.00 . . . . . . . 235 ILE HG2 . 52522 1 589 . 1 . 1 86 86 ILE HG23 H 1 0.793 0.00 . . . . . . . 235 ILE HG2 . 52522 1 590 . 1 . 1 86 86 ILE HD11 H 1 0.695 0.00 . . . . . . . 235 ILE HD1 . 52522 1 591 . 1 . 1 86 86 ILE HD12 H 1 0.695 0.00 . . . . . . . 235 ILE HD1 . 52522 1 592 . 1 . 1 86 86 ILE HD13 H 1 0.695 0.00 . . . . . . . 235 ILE HD1 . 52522 1 593 . 1 . 1 86 86 ILE C C 13 176.231 0.03 . . . . . . . 235 ILE C . 52522 1 594 . 1 . 1 86 86 ILE CA C 13 61.256 0.02 . . . . . . . 235 ILE CA . 52522 1 595 . 1 . 1 86 86 ILE CB C 13 38.789 0.02 . . . . . . . 235 ILE CB . 52522 1 596 . 1 . 1 86 86 ILE CG2 C 13 17.866 0.06 . . . . . . . 235 ILE CG2 . 52522 1 597 . 1 . 1 86 86 ILE CD1 C 13 13.322 0.01 . . . . . . . 235 ILE CD1 . 52522 1 598 . 1 . 1 86 86 ILE N N 15 120.658 0.01 . . . . . . . 235 ILE N . 52522 1 599 . 1 . 1 87 87 LYS H H 1 8.326 0.00 . . . . . . . 236 LYS H . 52522 1 600 . 1 . 1 87 87 LYS HA H 1 4.137 0.00 . . . . . . . 236 LYS HA . 52522 1 601 . 1 . 1 87 87 LYS C C 13 176.107 0.01 . . . . . . . 236 LYS C . 52522 1 602 . 1 . 1 87 87 LYS CA C 13 56.830 0.03 . . . . . . . 236 LYS CA . 52522 1 603 . 1 . 1 87 87 LYS CB C 13 32.462 0.00 . . . . . . . 236 LYS CB . 52522 1 604 . 1 . 1 87 87 LYS N N 15 124.958 0.01 . . . . . . . 236 LYS N . 52522 1 605 . 1 . 1 88 88 ASP H H 1 8.174 0.00 . . . . . . . 237 ASP H . 52522 1 606 . 1 . 1 88 88 ASP HA H 1 4.411 0.00 . . . . . . . 237 ASP HA . 52522 1 607 . 1 . 1 88 88 ASP HB2 H 1 2.617 0.00 . . . . . . . 237 ASP HB# . 52522 1 608 . 1 . 1 88 88 ASP HB3 H 1 2.617 0.00 . . . . . . . 237 ASP HB# . 52522 1 609 . 1 . 1 88 88 ASP C C 13 175.593 0.02 . . . . . . . 237 ASP C . 52522 1 610 . 1 . 1 88 88 ASP CA C 13 54.959 0.02 . . . . . . . 237 ASP CA . 52522 1 611 . 1 . 1 88 88 ASP CB C 13 41.025 0.00 . . . . . . . 237 ASP CB . 52522 1 612 . 1 . 1 88 88 ASP N N 15 120.645 0.01 . . . . . . . 237 ASP N . 52522 1 613 . 1 . 1 89 89 ARG H H 1 7.811 0.00 . . . . . . . 238 ARG H . 52522 1 614 . 1 . 1 89 89 ARG HA H 1 4.240 0.00 . . . . . . . 238 ARG HA . 52522 1 615 . 1 . 1 89 89 ARG HB2 H 1 1.564 0.00 . . . . . . . 238 ARG HB2 . 52522 1 616 . 1 . 1 89 89 ARG HB3 H 1 1.427 0.00 . . . . . . . 238 ARG HB3 . 52522 1 617 . 1 . 1 89 89 ARG C C 13 175.035 0.02 . . . . . . . 238 ARG C . 52522 1 618 . 1 . 1 89 89 ARG CA C 13 55.673 0.01 . . . . . . . 238 ARG CA . 52522 1 619 . 1 . 1 89 89 ARG CB C 13 31.302 0.00 . . . . . . . 238 ARG CB . 52522 1 620 . 1 . 1 89 89 ARG N N 15 121.195 0.02 . . . . . . . 238 ARG N . 52522 1 621 . 1 . 1 90 90 VAL H H 1 8.008 0.00 . . . . . . . 239 VAL H . 52522 1 622 . 1 . 1 90 90 VAL HA H 1 4.045 0.01 . . . . . . . 239 VAL HA . 52522 1 623 . 1 . 1 90 90 VAL HB H 1 1.844 0.01 . . . . . . . 239 VAL HB . 52522 1 624 . 1 . 1 90 90 VAL HG11 H 1 0.761 0.01 . . . . . . . 239 VAL HG1# . 52522 1 625 . 1 . 1 90 90 VAL HG12 H 1 0.761 0.01 . . . . . . . 239 VAL HG1# . 52522 1 626 . 1 . 1 90 90 VAL HG13 H 1 0.761 0.01 . . . . . . . 239 VAL HG1# . 52522 1 627 . 1 . 1 90 90 VAL HG21 H 1 0.761 0.01 . . . . . . . 239 VAL HG2# . 52522 1 628 . 1 . 1 90 90 VAL HG22 H 1 0.761 0.01 . . . . . . . 239 VAL HG2# . 52522 1 629 . 1 . 1 90 90 VAL HG23 H 1 0.761 0.01 . . . . . . . 239 VAL HG2# . 52522 1 630 . 1 . 1 90 90 VAL C C 13 175.446 0.01 . . . . . . . 239 VAL C . 52522 1 631 . 1 . 1 90 90 VAL CA C 13 61.807 0.03 . . . . . . . 239 VAL CA . 52522 1 632 . 1 . 1 90 90 VAL CB C 13 33.089 0.00 . . . . . . . 239 VAL CB . 52522 1 633 . 1 . 1 90 90 VAL CG1 C 13 20.579 0.02 . . . . . . . 239 VAL CG1 . 52522 1 634 . 1 . 1 90 90 VAL CG2 C 13 20.579 0.02 . . . . . . . 239 VAL CG2 . 52522 1 635 . 1 . 1 90 90 VAL N N 15 122.658 0.02 . . . . . . . 239 VAL N . 52522 1 636 . 1 . 1 91 91 TYR H H 1 8.112 0.00 . . . . . . . 240 TYR H . 52522 1 637 . 1 . 1 91 91 TYR HA H 1 4.784 0.00 . . . . . . . 240 TYR HA . 52522 1 638 . 1 . 1 91 91 TYR HB2 H 1 3.107 0.01 . . . . . . . 240 TYR HB2 . 52522 1 639 . 1 . 1 91 91 TYR HB3 H 1 2.773 0.01 . . . . . . . 240 TYR HB3 . 52522 1 640 . 1 . 1 91 91 TYR HD1 H 1 6.992 0.00 . . . . . . . 240 TYR HD# . 52522 1 641 . 1 . 1 91 91 TYR HD2 H 1 6.992 0.00 . . . . . . . 240 TYR HD# . 52522 1 642 . 1 . 1 91 91 TYR HE1 H 1 6.647 0.00 . . . . . . . 240 TYR HE# . 52522 1 643 . 1 . 1 91 91 TYR HE2 H 1 6.647 0.00 . . . . . . . 240 TYR HE# . 52522 1 644 . 1 . 1 91 91 TYR C C 13 174.917 0.00 . . . . . . . 240 TYR C . 52522 1 645 . 1 . 1 91 91 TYR CA C 13 56.912 0.02 . . . . . . . 240 TYR CA . 52522 1 646 . 1 . 1 91 91 TYR CB C 13 39.892 0.00 . . . . . . . 240 TYR CB . 52522 1 647 . 1 . 1 91 91 TYR N N 15 124.826 0.02 . . . . . . . 240 TYR N . 52522 1 648 . 1 . 1 92 92 SER H H 1 8.458 0.00 . . . . . . . 241 SER H . 52522 1 649 . 1 . 1 92 92 SER HA H 1 4.610 0.00 . . . . . . . 241 SER HA . 52522 1 650 . 1 . 1 92 92 SER HB2 H 1 3.766 0.00 . . . . . . . 241 SER HB2 . 52522 1 651 . 1 . 1 92 92 SER HB3 H 1 3.719 0.00 . . . . . . . 241 SER HB3 . 52522 1 652 . 1 . 1 92 92 SER C C 13 173.243 0.00 . . . . . . . 241 SER C . 52522 1 653 . 1 . 1 92 92 SER CA C 13 57.000 0.02 . . . . . . . 241 SER CA . 52522 1 654 . 1 . 1 92 92 SER CB C 13 64.737 0.04 . . . . . . . 241 SER CB . 52522 1 655 . 1 . 1 92 92 SER N N 15 116.829 0.01 . . . . . . . 241 SER N . 52522 1 656 . 1 . 1 93 93 ASN H H 1 8.565 0.00 . . . . . . . 242 ASN H . 52522 1 657 . 1 . 1 93 93 ASN HA H 1 5.147 0.00 . . . . . . . 242 ASN HA . 52522 1 658 . 1 . 1 93 93 ASN C C 13 173.534 0.00 . . . . . . . 242 ASN C . 52522 1 659 . 1 . 1 93 93 ASN CA C 13 53.375 0.02 . . . . . . . 242 ASN CA . 52522 1 660 . 1 . 1 93 93 ASN CB C 13 42.420 0.00 . . . . . . . 242 ASN CB . 52522 1 661 . 1 . 1 93 93 ASN N N 15 120.001 0.03 . . . . . . . 242 ASN N . 52522 1 662 . 1 . 1 94 94 SER H H 1 9.902 0.01 . . . . . . . 243 SER H . 52522 1 663 . 1 . 1 94 94 SER HA H 1 4.782 0.00 . . . . . . . 243 SER HA . 52522 1 664 . 1 . 1 94 94 SER C C 13 169.860 0.00 . . . . . . . 243 SER C . 52522 1 665 . 1 . 1 94 94 SER CA C 13 59.791 0.03 . . . . . . . 243 SER CA . 52522 1 666 . 1 . 1 94 94 SER CB C 13 67.031 0.00 . . . . . . . 243 SER CB . 52522 1 667 . 1 . 1 94 94 SER N N 15 121.087 0.01 . . . . . . . 243 SER N . 52522 1 668 . 1 . 1 95 95 ILE H H 1 8.545 0.01 . . . . . . . 244 ILE H . 52522 1 669 . 1 . 1 95 95 ILE HA H 1 4.195 0.00 . . . . . . . 244 ILE HA . 52522 1 670 . 1 . 1 95 95 ILE HG21 H 1 0.443 0.01 . . . . . . . 244 ILE HG2 . 52522 1 671 . 1 . 1 95 95 ILE HG22 H 1 0.443 0.01 . . . . . . . 244 ILE HG2 . 52522 1 672 . 1 . 1 95 95 ILE HG23 H 1 0.443 0.01 . . . . . . . 244 ILE HG2 . 52522 1 673 . 1 . 1 95 95 ILE HD11 H 1 -0.288 0.01 . . . . . . . 244 ILE HD1 . 52522 1 674 . 1 . 1 95 95 ILE HD12 H 1 -0.288 0.01 . . . . . . . 244 ILE HD1 . 52522 1 675 . 1 . 1 95 95 ILE HD13 H 1 -0.288 0.01 . . . . . . . 244 ILE HD1 . 52522 1 676 . 1 . 1 95 95 ILE C C 13 174.587 0.00 . . . . . . . 244 ILE C . 52522 1 677 . 1 . 1 95 95 ILE CA C 13 59.903 0.03 . . . . . . . 244 ILE CA . 52522 1 678 . 1 . 1 95 95 ILE CG2 C 13 19.657 0.01 . . . . . . . 244 ILE CG2 . 52522 1 679 . 1 . 1 95 95 ILE CD1 C 13 13.509 0.03 . . . . . . . 244 ILE CD1 . 52522 1 680 . 1 . 1 95 95 ILE N N 15 121.785 0.01 . . . . . . . 244 ILE N . 52522 1 681 . 1 . 1 96 96 TYR H H 1 9.128 0.00 . . . . . . . 245 TYR H . 52522 1 682 . 1 . 1 96 96 TYR HA H 1 4.762 0.00 . . . . . . . 245 TYR HA . 52522 1 683 . 1 . 1 96 96 TYR HD1 H 1 6.848 0.00 . . . . . . . 245 TYR HD# . 52522 1 684 . 1 . 1 96 96 TYR HD2 H 1 6.848 0.00 . . . . . . . 245 TYR HD# . 52522 1 685 . 1 . 1 96 96 TYR C C 13 174.894 0.00 . . . . . . . 245 TYR C . 52522 1 686 . 1 . 1 96 96 TYR CA C 13 56.875 0.01 . . . . . . . 245 TYR CA . 52522 1 687 . 1 . 1 96 96 TYR N N 15 125.311 0.02 . . . . . . . 245 TYR N . 52522 1 688 . 1 . 1 97 97 GLU H H 1 9.226 0.00 . . . . . . . 246 GLU H . 52522 1 689 . 1 . 1 97 97 GLU HA H 1 5.017 0.00 . . . . . . . 246 GLU HA . 52522 1 690 . 1 . 1 97 97 GLU HB2 H 1 1.747 0.00 . . . . . . . 246 GLU HB# . 52522 1 691 . 1 . 1 97 97 GLU HB3 H 1 1.747 0.00 . . . . . . . 246 GLU HB# . 52522 1 692 . 1 . 1 97 97 GLU HG2 H 1 2.115 0.00 . . . . . . . 246 GLU HG# . 52522 1 693 . 1 . 1 97 97 GLU HG3 H 1 2.115 0.00 . . . . . . . 246 GLU HG# . 52522 1 694 . 1 . 1 97 97 GLU C C 13 174.057 0.00 . . . . . . . 246 GLU C . 52522 1 695 . 1 . 1 97 97 GLU CA C 13 53.999 0.03 . . . . . . . 246 GLU CA . 52522 1 696 . 1 . 1 97 97 GLU N N 15 118.344 0.01 . . . . . . . 246 GLU N . 52522 1 697 . 1 . 1 98 98 LEU H H 1 8.401 0.01 . . . . . . . 247 LEU H . 52522 1 698 . 1 . 1 98 98 LEU HD11 H 1 0.506 0.00 . . . . . . . 247 LEU HD1 . 52522 1 699 . 1 . 1 98 98 LEU HD12 H 1 0.506 0.00 . . . . . . . 247 LEU HD1 . 52522 1 700 . 1 . 1 98 98 LEU HD13 H 1 0.506 0.00 . . . . . . . 247 LEU HD1 . 52522 1 701 . 1 . 1 98 98 LEU HD21 H 1 0.930 0.00 . . . . . . . 247 LEU HD2 . 52522 1 702 . 1 . 1 98 98 LEU HD22 H 1 0.930 0.00 . . . . . . . 247 LEU HD2 . 52522 1 703 . 1 . 1 98 98 LEU HD23 H 1 0.930 0.00 . . . . . . . 247 LEU HD2 . 52522 1 704 . 1 . 1 98 98 LEU CA C 13 52.715 0.00 . . . . . . . 247 LEU CA . 52522 1 705 . 1 . 1 98 98 LEU CD1 C 13 25.532 0.03 . . . . . . . 247 LEU CD1 . 52522 1 706 . 1 . 1 98 98 LEU N N 15 123.457 0.07 . . . . . . . 247 LEU N . 52522 1 707 . 1 . 1 99 99 LEU H H 1 9.032 0.01 . . . . . . . 248 LEU H . 52522 1 708 . 1 . 1 99 99 LEU HD11 H 1 0.635 0.01 . . . . . . . 248 LEU HD1 . 52522 1 709 . 1 . 1 99 99 LEU HD12 H 1 0.635 0.01 . . . . . . . 248 LEU HD1 . 52522 1 710 . 1 . 1 99 99 LEU HD13 H 1 0.635 0.01 . . . . . . . 248 LEU HD1 . 52522 1 711 . 1 . 1 99 99 LEU HD21 H 1 0.411 0.01 . . . . . . . 248 LEU HD2 . 52522 1 712 . 1 . 1 99 99 LEU HD22 H 1 0.411 0.01 . . . . . . . 248 LEU HD2 . 52522 1 713 . 1 . 1 99 99 LEU HD23 H 1 0.411 0.01 . . . . . . . 248 LEU HD2 . 52522 1 714 . 1 . 1 99 99 LEU C C 13 175.932 0.00 . . . . . . . 248 LEU C . 52522 1 715 . 1 . 1 99 99 LEU CA C 13 53.595 0.05 . . . . . . . 248 LEU CA . 52522 1 716 . 1 . 1 99 99 LEU CD1 C 13 24.950 0.02 . . . . . . . 248 LEU CD1 . 52522 1 717 . 1 . 1 99 99 LEU CD2 C 13 22.847 0.05 . . . . . . . 248 LEU CD2 . 52522 1 718 . 1 . 1 99 99 LEU N N 15 124.348 0.00 . . . . . . . 248 LEU N . 52522 1 719 . 1 . 1 100 100 GLU H H 1 8.587 0.00 . . . . . . . 249 GLU H . 52522 1 720 . 1 . 1 100 100 GLU CA C 13 56.039 0.00 . . . . . . . 249 GLU CA . 52522 1 721 . 1 . 1 100 100 GLU N N 15 119.015 0.04 . . . . . . . 249 GLU N . 52522 1 722 . 1 . 1 101 101 ASN C C 13 175.487 0.00 . . . . . . . 250 ASN C . 52522 1 723 . 1 . 1 101 101 ASN CA C 13 54.346 0.01 . . . . . . . 250 ASN CA . 52522 1 724 . 1 . 1 101 101 ASN CB C 13 37.472 0.00 . . . . . . . 250 ASN CB . 52522 1 725 . 1 . 1 102 102 GLY H H 1 8.572 0.00 . . . . . . . 251 GLY H . 52522 1 726 . 1 . 1 102 102 GLY C C 13 173.373 0.02 . . . . . . . 251 GLY C . 52522 1 727 . 1 . 1 102 102 GLY CA C 13 45.457 0.05 . . . . . . . 251 GLY CA . 52522 1 728 . 1 . 1 102 102 GLY N N 15 103.315 0.02 . . . . . . . 251 GLY N . 52522 1 729 . 1 . 1 103 103 GLN H H 1 7.525 0.00 . . . . . . . 252 GLN H . 52522 1 730 . 1 . 1 103 103 GLN C C 13 174.977 0.02 . . . . . . . 252 GLN C . 52522 1 731 . 1 . 1 103 103 GLN CA C 13 53.266 0.05 . . . . . . . 252 GLN CA . 52522 1 732 . 1 . 1 103 103 GLN N N 15 118.976 0.01 . . . . . . . 252 GLN N . 52522 1 733 . 1 . 1 104 104 ARG H H 1 8.730 0.00 . . . . . . . 253 ARG H . 52522 1 734 . 1 . 1 104 104 ARG C C 13 175.595 0.00 . . . . . . . 253 ARG C . 52522 1 735 . 1 . 1 104 104 ARG CA C 13 58.527 0.02 . . . . . . . 253 ARG CA . 52522 1 736 . 1 . 1 104 104 ARG N N 15 124.294 0.01 . . . . . . . 253 ARG N . 52522 1 737 . 1 . 1 105 105 ALA H H 1 9.492 0.01 . . . . . . . 254 ALA H . 52522 1 738 . 1 . 1 105 105 ALA HB1 H 1 1.187 0.00 . . . . . . . 254 ALA HB . 52522 1 739 . 1 . 1 105 105 ALA HB2 H 1 1.187 0.00 . . . . . . . 254 ALA HB . 52522 1 740 . 1 . 1 105 105 ALA HB3 H 1 1.187 0.00 . . . . . . . 254 ALA HB . 52522 1 741 . 1 . 1 105 105 ALA C C 13 176.608 0.00 . . . . . . . 254 ALA C . 52522 1 742 . 1 . 1 105 105 ALA CA C 13 51.545 0.02 . . . . . . . 254 ALA CA . 52522 1 743 . 1 . 1 105 105 ALA CB C 13 21.922 0.03 . . . . . . . 254 ALA CB . 52522 1 744 . 1 . 1 105 105 ALA N N 15 132.592 0.01 . . . . . . . 254 ALA N . 52522 1 745 . 1 . 1 106 106 GLY H H 1 7.517 0.00 . . . . . . . 255 GLY H . 52522 1 746 . 1 . 1 106 106 GLY C C 13 170.766 0.00 . . . . . . . 255 GLY C . 52522 1 747 . 1 . 1 106 106 GLY CA C 13 45.298 0.00 . . . . . . . 255 GLY CA . 52522 1 748 . 1 . 1 106 106 GLY N N 15 105.692 0.02 . . . . . . . 255 GLY N . 52522 1 749 . 1 . 1 108 108 CYS H H 1 8.954 0.00 . . . . . . . 257 CYS H . 52522 1 750 . 1 . 1 109 109 VAL HA H 1 4.744 0.00 . . . . . . . 258 VAL HA . 52522 1 751 . 1 . 1 109 109 VAL HB H 1 2.133 0.00 . . . . . . . 258 VAL HB . 52522 1 752 . 1 . 1 109 109 VAL HG11 H 1 0.807 0.00 . . . . . . . 258 VAL HG1 . 52522 1 753 . 1 . 1 109 109 VAL HG12 H 1 0.807 0.00 . . . . . . . 258 VAL HG1 . 52522 1 754 . 1 . 1 109 109 VAL HG13 H 1 0.807 0.00 . . . . . . . 258 VAL HG1 . 52522 1 755 . 1 . 1 109 109 VAL HG21 H 1 0.701 0.00 . . . . . . . 258 VAL HG2 . 52522 1 756 . 1 . 1 109 109 VAL HG22 H 1 0.701 0.00 . . . . . . . 258 VAL HG2 . 52522 1 757 . 1 . 1 109 109 VAL HG23 H 1 0.701 0.00 . . . . . . . 258 VAL HG2 . 52522 1 758 . 1 . 1 109 109 VAL C C 13 174.713 0.00 . . . . . . . 258 VAL C . 52522 1 759 . 1 . 1 109 109 VAL CA C 13 62.350 0.04 . . . . . . . 258 VAL CA . 52522 1 760 . 1 . 1 109 109 VAL CB C 13 31.148 0.00 . . . . . . . 258 VAL CB . 52522 1 761 . 1 . 1 109 109 VAL CG1 C 13 22.859 0.03 . . . . . . . 258 VAL CG1 . 52522 1 762 . 1 . 1 109 109 VAL CG2 C 13 22.500 0.03 . . . . . . . 258 VAL CG2 . 52522 1 763 . 1 . 1 110 110 LEU H H 1 7.194 0.01 . . . . . . . 259 LEU H . 52522 1 764 . 1 . 1 110 110 LEU HA H 1 5.641 0.00 . . . . . . . 259 LEU HA . 52522 1 765 . 1 . 1 110 110 LEU HD11 H 1 0.476 0.00 . . . . . . . 259 LEU HD1 . 52522 1 766 . 1 . 1 110 110 LEU HD12 H 1 0.476 0.00 . . . . . . . 259 LEU HD1 . 52522 1 767 . 1 . 1 110 110 LEU HD13 H 1 0.476 0.00 . . . . . . . 259 LEU HD1 . 52522 1 768 . 1 . 1 110 110 LEU HD21 H 1 0.383 0.01 . . . . . . . 259 LEU HD2 . 52522 1 769 . 1 . 1 110 110 LEU HD22 H 1 0.383 0.01 . . . . . . . 259 LEU HD2 . 52522 1 770 . 1 . 1 110 110 LEU HD23 H 1 0.383 0.01 . . . . . . . 259 LEU HD2 . 52522 1 771 . 1 . 1 110 110 LEU C C 13 176.451 0.00 . . . . . . . 259 LEU C . 52522 1 772 . 1 . 1 110 110 LEU CA C 13 53.411 0.02 . . . . . . . 259 LEU CA . 52522 1 773 . 1 . 1 110 110 LEU CB C 13 48.060 0.00 . . . . . . . 259 LEU CB . 52522 1 774 . 1 . 1 110 110 LEU CD1 C 13 24.978 0.01 . . . . . . . 259 LEU CD1 . 52522 1 775 . 1 . 1 110 110 LEU CD2 C 13 26.355 0.01 . . . . . . . 259 LEU CD2 . 52522 1 776 . 1 . 1 110 110 LEU N N 15 127.811 0.02 . . . . . . . 259 LEU N . 52522 1 777 . 1 . 1 111 111 GLU H H 1 8.337 0.00 . . . . . . . 260 GLU H . 52522 1 778 . 1 . 1 111 111 GLU HA H 1 4.524 0.00 . . . . . . . 260 GLU HA . 52522 1 779 . 1 . 1 111 111 GLU HG2 H 1 2.162 0.00 . . . . . . . 260 GLU HG# . 52522 1 780 . 1 . 1 111 111 GLU HG3 H 1 2.162 0.00 . . . . . . . 260 GLU HG# . 52522 1 781 . 1 . 1 111 111 GLU C C 13 174.308 0.01 . . . . . . . 260 GLU C . 52522 1 782 . 1 . 1 111 111 GLU CA C 13 55.173 0.01 . . . . . . . 260 GLU CA . 52522 1 783 . 1 . 1 111 111 GLU CB C 13 33.263 0.00 . . . . . . . 260 GLU CB . 52522 1 784 . 1 . 1 111 111 GLU N N 15 118.638 0.02 . . . . . . . 260 GLU N . 52522 1 785 . 1 . 1 112 112 TYR H H 1 8.968 0.00 . . . . . . . 261 TYR H . 52522 1 786 . 1 . 1 112 112 TYR HA H 1 4.766 0.00 . . . . . . . 261 TYR HA . 52522 1 787 . 1 . 1 112 112 TYR HD1 H 1 6.811 0.01 . . . . . . . 261 TYR HD# . 52522 1 788 . 1 . 1 112 112 TYR HD2 H 1 6.811 0.01 . . . . . . . 261 TYR HD# . 52522 1 789 . 1 . 1 112 112 TYR HE1 H 1 6.555 0.00 . . . . . . . 261 TYR HE# . 52522 1 790 . 1 . 1 112 112 TYR HE2 H 1 6.555 0.00 . . . . . . . 261 TYR HE# . 52522 1 791 . 1 . 1 112 112 TYR C C 13 177.318 0.00 . . . . . . . 261 TYR C . 52522 1 792 . 1 . 1 112 112 TYR CA C 13 59.043 0.05 . . . . . . . 261 TYR CA . 52522 1 793 . 1 . 1 112 112 TYR N N 15 118.516 0.01 . . . . . . . 261 TYR N . 52522 1 794 . 1 . 1 113 113 ALA H H 1 8.260 0.00 . . . . . . . 262 ALA H . 52522 1 795 . 1 . 1 113 113 ALA HA H 1 4.442 0.00 . . . . . . . 262 ALA HA . 52522 1 796 . 1 . 1 113 113 ALA HB1 H 1 1.044 0.00 . . . . . . . 262 ALA HB . 52522 1 797 . 1 . 1 113 113 ALA HB2 H 1 1.044 0.00 . . . . . . . 262 ALA HB . 52522 1 798 . 1 . 1 113 113 ALA HB3 H 1 1.044 0.00 . . . . . . . 262 ALA HB . 52522 1 799 . 1 . 1 113 113 ALA C C 13 174.185 0.00 . . . . . . . 262 ALA C . 52522 1 800 . 1 . 1 113 113 ALA CA C 13 50.573 0.04 . . . . . . . 262 ALA CA . 52522 1 801 . 1 . 1 113 113 ALA CB C 13 16.609 0.02 . . . . . . . 262 ALA CB . 52522 1 802 . 1 . 1 113 113 ALA N N 15 123.495 0.02 . . . . . . . 262 ALA N . 52522 1 803 . 1 . 1 114 114 THR H H 1 6.650 0.01 . . . . . . . 263 THR H . 52522 1 804 . 1 . 1 114 114 THR HA H 1 3.456 0.01 . . . . . . . 263 THR HA . 52522 1 805 . 1 . 1 114 114 THR HG21 H 1 1.181 0.00 . . . . . . . 263 THR HG2 . 52522 1 806 . 1 . 1 114 114 THR HG22 H 1 1.181 0.00 . . . . . . . 263 THR HG2 . 52522 1 807 . 1 . 1 114 114 THR HG23 H 1 1.181 0.00 . . . . . . . 263 THR HG2 . 52522 1 808 . 1 . 1 114 114 THR CA C 13 67.045 0.00 . . . . . . . 263 THR CA . 52522 1 809 . 1 . 1 114 114 THR CG2 C 13 23.107 0.01 . . . . . . . 263 THR CG2 . 52522 1 810 . 1 . 1 114 114 THR N N 15 119.256 0.01 . . . . . . . 263 THR N . 52522 1 811 . 1 . 1 115 115 PRO HB2 H 1 2.164 0.00 . . . . . . . 264 PRO HB# . 52522 1 812 . 1 . 1 115 115 PRO HB3 H 1 2.164 0.00 . . . . . . . 264 PRO HB# . 52522 1 813 . 1 . 1 115 115 PRO C C 13 176.588 0.00 . . . . . . . 264 PRO C . 52522 1 814 . 1 . 1 115 115 PRO CA C 13 64.109 0.02 . . . . . . . 264 PRO CA . 52522 1 815 . 1 . 1 116 116 LEU H H 1 7.100 0.00 . . . . . . . 265 LEU H . 52522 1 816 . 1 . 1 116 116 LEU HA H 1 3.444 0.01 . . . . . . . 265 LEU HA . 52522 1 817 . 1 . 1 116 116 LEU HD11 H 1 0.784 0.00 . . . . . . . 265 LEU HD1 . 52522 1 818 . 1 . 1 116 116 LEU HD12 H 1 0.784 0.00 . . . . . . . 265 LEU HD1 . 52522 1 819 . 1 . 1 116 116 LEU HD13 H 1 0.784 0.00 . . . . . . . 265 LEU HD1 . 52522 1 820 . 1 . 1 116 116 LEU HD21 H 1 0.311 0.01 . . . . . . . 265 LEU HD2 . 52522 1 821 . 1 . 1 116 116 LEU HD22 H 1 0.311 0.01 . . . . . . . 265 LEU HD2 . 52522 1 822 . 1 . 1 116 116 LEU HD23 H 1 0.311 0.01 . . . . . . . 265 LEU HD2 . 52522 1 823 . 1 . 1 116 116 LEU C C 13 179.568 0.00 . . . . . . . 265 LEU C . 52522 1 824 . 1 . 1 116 116 LEU CA C 13 57.145 0.01 . . . . . . . 265 LEU CA . 52522 1 825 . 1 . 1 116 116 LEU CD1 C 13 25.839 0.01 . . . . . . . 265 LEU CD1 . 52522 1 826 . 1 . 1 116 116 LEU CD2 C 13 21.362 0.02 . . . . . . . 265 LEU CD2 . 52522 1 827 . 1 . 1 116 116 LEU N N 15 113.724 0.02 . . . . . . . 265 LEU N . 52522 1 828 . 1 . 1 117 117 GLN H H 1 8.026 0.00 . . . . . . . 266 GLN H . 52522 1 829 . 1 . 1 117 117 GLN C C 13 178.440 0.00 . . . . . . . 266 GLN C . 52522 1 830 . 1 . 1 117 117 GLN CA C 13 59.559 0.00 . . . . . . . 266 GLN CA . 52522 1 831 . 1 . 1 117 117 GLN N N 15 117.572 0.03 . . . . . . . 266 GLN N . 52522 1 832 . 1 . 1 118 118 THR H H 1 7.711 0.00 . . . . . . . 267 THR H . 52522 1 833 . 1 . 1 118 118 THR HG21 H 1 1.082 0.00 . . . . . . . 267 THR HG2 . 52522 1 834 . 1 . 1 118 118 THR HG22 H 1 1.082 0.00 . . . . . . . 267 THR HG2 . 52522 1 835 . 1 . 1 118 118 THR HG23 H 1 1.082 0.00 . . . . . . . 267 THR HG2 . 52522 1 836 . 1 . 1 118 118 THR C C 13 175.950 0.00 . . . . . . . 267 THR C . 52522 1 837 . 1 . 1 118 118 THR CA C 13 68.872 0.04 . . . . . . . 267 THR CA . 52522 1 838 . 1 . 1 118 118 THR CG2 C 13 20.952 0.03 . . . . . . . 267 THR CG2 . 52522 1 839 . 1 . 1 118 118 THR N N 15 117.646 0.01 . . . . . . . 267 THR N . 52522 1 840 . 1 . 1 119 119 LEU H H 1 6.512 0.00 . . . . . . . 268 LEU H . 52522 1 841 . 1 . 1 119 119 LEU HD11 H 1 0.770 0.01 . . . . . . . 268 LEU HD1 . 52522 1 842 . 1 . 1 119 119 LEU HD12 H 1 0.770 0.01 . . . . . . . 268 LEU HD1 . 52522 1 843 . 1 . 1 119 119 LEU HD13 H 1 0.770 0.01 . . . . . . . 268 LEU HD1 . 52522 1 844 . 1 . 1 119 119 LEU HD21 H 1 0.570 0.00 . . . . . . . 268 LEU HD2 . 52522 1 845 . 1 . 1 119 119 LEU HD22 H 1 0.570 0.00 . . . . . . . 268 LEU HD2 . 52522 1 846 . 1 . 1 119 119 LEU HD23 H 1 0.570 0.00 . . . . . . . 268 LEU HD2 . 52522 1 847 . 1 . 1 119 119 LEU C C 13 177.926 0.00 . . . . . . . 268 LEU C . 52522 1 848 . 1 . 1 119 119 LEU CA C 13 57.130 0.07 . . . . . . . 268 LEU CA . 52522 1 849 . 1 . 1 119 119 LEU N N 15 118.234 0.01 . . . . . . . 268 LEU N . 52522 1 850 . 1 . 1 120 120 PHE H H 1 7.721 0.01 . . . . . . . 269 PHE H . 52522 1 851 . 1 . 1 120 120 PHE HB2 H 1 3.194 0.00 . . . . . . . 269 PHE HB2 . 52522 1 852 . 1 . 1 120 120 PHE HB3 H 1 3.030 0.00 . . . . . . . 269 PHE HB3 . 52522 1 853 . 1 . 1 120 120 PHE C C 13 179.117 0.00 . . . . . . . 269 PHE C . 52522 1 854 . 1 . 1 120 120 PHE CA C 13 62.480 0.02 . . . . . . . 269 PHE CA . 52522 1 855 . 1 . 1 120 120 PHE CB C 13 38.739 0.00 . . . . . . . 269 PHE CB . 52522 1 856 . 1 . 1 120 120 PHE N N 15 119.232 0.02 . . . . . . . 269 PHE N . 52522 1 857 . 1 . 1 121 121 ALA H H 1 8.746 0.00 . . . . . . . 270 ALA H . 52522 1 858 . 1 . 1 121 121 ALA HB1 H 1 1.473 0.01 . . . . . . . 270 ALA HB . 52522 1 859 . 1 . 1 121 121 ALA HB2 H 1 1.473 0.01 . . . . . . . 270 ALA HB . 52522 1 860 . 1 . 1 121 121 ALA HB3 H 1 1.473 0.01 . . . . . . . 270 ALA HB . 52522 1 861 . 1 . 1 121 121 ALA C C 13 181.719 0.02 . . . . . . . 270 ALA C . 52522 1 862 . 1 . 1 121 121 ALA CA C 13 55.456 0.03 . . . . . . . 270 ALA CA . 52522 1 863 . 1 . 1 121 121 ALA CB C 13 19.127 0.03 . . . . . . . 270 ALA CB . 52522 1 864 . 1 . 1 121 121 ALA N N 15 123.540 0.02 . . . . . . . 270 ALA N . 52522 1 865 . 1 . 1 122 122 MET H H 1 8.589 0.01 . . . . . . . 271 MET H . 52522 1 866 . 1 . 1 122 122 MET HE1 H 1 0.064 0.01 . . . . . . . 271 MET HE . 52522 1 867 . 1 . 1 122 122 MET HE2 H 1 0.064 0.01 . . . . . . . 271 MET HE . 52522 1 868 . 1 . 1 122 122 MET HE3 H 1 0.064 0.01 . . . . . . . 271 MET HE . 52522 1 869 . 1 . 1 122 122 MET C C 13 177.738 0.01 . . . . . . . 271 MET C . 52522 1 870 . 1 . 1 122 122 MET CA C 13 60.758 0.02 . . . . . . . 271 MET CA . 52522 1 871 . 1 . 1 122 122 MET CB C 13 28.659 0.00 . . . . . . . 271 MET CB . 52522 1 872 . 1 . 1 122 122 MET CE C 13 14.332 0.02 . . . . . . . 271 MET CE . 52522 1 873 . 1 . 1 122 122 MET N N 15 119.931 0.01 . . . . . . . 271 MET N . 52522 1 874 . 1 . 1 123 123 SER H H 1 7.424 0.01 . . . . . . . 272 SER H . 52522 1 875 . 1 . 1 123 123 SER CA C 13 60.363 0.00 . . . . . . . 272 SER CA . 52522 1 876 . 1 . 1 123 123 SER N N 15 112.785 0.03 . . . . . . . 272 SER N . 52522 1 877 . 1 . 1 124 124 GLN H H 1 7.028 0.00 . . . . . . . 273 GLN H . 52522 1 878 . 1 . 1 124 124 GLN HB2 H 1 1.966 0.00 . . . . . . . 273 GLN HB2 . 52522 1 879 . 1 . 1 124 124 GLN HB3 H 1 1.829 0.00 . . . . . . . 273 GLN HB3 . 52522 1 880 . 1 . 1 124 124 GLN HG2 H 1 2.187 0.00 . . . . . . . 273 GLN HG# . 52522 1 881 . 1 . 1 124 124 GLN HG3 H 1 2.187 0.00 . . . . . . . 273 GLN HG# . 52522 1 882 . 1 . 1 124 124 GLN C C 13 174.671 0.00 . . . . . . . 273 GLN C . 52522 1 883 . 1 . 1 124 124 GLN CA C 13 55.116 0.07 . . . . . . . 273 GLN CA . 52522 1 884 . 1 . 1 124 124 GLN CB C 13 29.467 0.00 . . . . . . . 273 GLN CB . 52522 1 885 . 1 . 1 124 124 GLN N N 15 119.138 0.00 . . . . . . . 273 GLN N . 52522 1 886 . 1 . 1 125 125 TYR H H 1 7.358 0.00 . . . . . . . 274 TYR H . 52522 1 887 . 1 . 1 125 125 TYR HB2 H 1 3.197 0.00 . . . . . . . 274 TYR HB2 . 52522 1 888 . 1 . 1 125 125 TYR HB3 H 1 2.945 0.00 . . . . . . . 274 TYR HB3 . 52522 1 889 . 1 . 1 125 125 TYR HD1 H 1 7.620 0.00 . . . . . . . 274 TYR HD# . 52522 1 890 . 1 . 1 125 125 TYR HD2 H 1 7.620 0.00 . . . . . . . 274 TYR HD# . 52522 1 891 . 1 . 1 125 125 TYR C C 13 176.560 0.00 . . . . . . . 274 TYR C . 52522 1 892 . 1 . 1 125 125 TYR CA C 13 55.280 0.00 . . . . . . . 274 TYR CA . 52522 1 893 . 1 . 1 125 125 TYR N N 15 123.309 0.01 . . . . . . . 274 TYR N . 52522 1 894 . 1 . 1 126 126 SER CA C 13 62.219 0.01 . . . . . . . 275 SER CA . 52522 1 895 . 1 . 1 126 126 SER CB C 13 62.580 0.00 . . . . . . . 275 SER CB . 52522 1 896 . 1 . 1 127 127 GLN H H 1 7.619 0.00 . . . . . . . 276 GLN H . 52522 1 897 . 1 . 1 127 127 GLN C C 13 176.789 0.01 . . . . . . . 276 GLN C . 52522 1 898 . 1 . 1 127 127 GLN CA C 13 58.075 0.01 . . . . . . . 276 GLN CA . 52522 1 899 . 1 . 1 127 127 GLN CB C 13 27.882 0.00 . . . . . . . 276 GLN CB . 52522 1 900 . 1 . 1 127 127 GLN N N 15 119.698 0.01 . . . . . . . 276 GLN N . 52522 1 901 . 1 . 1 128 128 ALA H H 1 7.613 0.00 . . . . . . . 277 ALA H . 52522 1 902 . 1 . 1 128 128 ALA HB1 H 1 1.304 0.00 . . . . . . . 277 ALA HB . 52522 1 903 . 1 . 1 128 128 ALA HB2 H 1 1.304 0.00 . . . . . . . 277 ALA HB . 52522 1 904 . 1 . 1 128 128 ALA HB3 H 1 1.304 0.00 . . . . . . . 277 ALA HB . 52522 1 905 . 1 . 1 128 128 ALA C C 13 178.304 0.02 . . . . . . . 277 ALA C . 52522 1 906 . 1 . 1 128 128 ALA CA C 13 53.267 0.01 . . . . . . . 277 ALA CA . 52522 1 907 . 1 . 1 128 128 ALA CB C 13 19.226 0.03 . . . . . . . 277 ALA CB . 52522 1 908 . 1 . 1 128 128 ALA N N 15 120.008 0.03 . . . . . . . 277 ALA N . 52522 1 909 . 1 . 1 129 129 GLY H H 1 7.656 0.00 . . . . . . . 278 GLY H . 52522 1 910 . 1 . 1 129 129 GLY HA2 H 1 3.760 0.00 . . . . . . . 278 GLY HA2 . 52522 1 911 . 1 . 1 129 129 GLY HA3 H 1 3.657 0.00 . . . . . . . 278 GLY HA3 . 52522 1 912 . 1 . 1 129 129 GLY C C 13 173.414 0.03 . . . . . . . 278 GLY C . 52522 1 913 . 1 . 1 129 129 GLY CA C 13 47.362 0.04 . . . . . . . 278 GLY CA . 52522 1 914 . 1 . 1 129 129 GLY N N 15 107.240 0.01 . . . . . . . 278 GLY N . 52522 1 915 . 1 . 1 130 130 PHE H H 1 8.215 0.00 . . . . . . . 279 PHE H . 52522 1 916 . 1 . 1 130 130 PHE HA H 1 4.838 0.00 . . . . . . . 279 PHE HA . 52522 1 917 . 1 . 1 130 130 PHE HB2 H 1 2.725 0.00 . . . . . . . 279 PHE HB2 . 52522 1 918 . 1 . 1 130 130 PHE HB3 H 1 2.231 0.00 . . . . . . . 279 PHE HB3 . 52522 1 919 . 1 . 1 130 130 PHE HD1 H 1 6.835 0.00 . . . . . . . 279 PHE HD# . 52522 1 920 . 1 . 1 130 130 PHE HD2 H 1 6.835 0.00 . . . . . . . 279 PHE HD# . 52522 1 921 . 1 . 1 130 130 PHE HE1 H 1 7.088 0.01 . . . . . . . 279 PHE HE# . 52522 1 922 . 1 . 1 130 130 PHE HE2 H 1 7.088 0.01 . . . . . . . 279 PHE HE# . 52522 1 923 . 1 . 1 130 130 PHE C C 13 174.299 0.01 . . . . . . . 279 PHE C . 52522 1 924 . 1 . 1 130 130 PHE CA C 13 56.729 0.03 . . . . . . . 279 PHE CA . 52522 1 925 . 1 . 1 130 130 PHE CB C 13 41.645 0.00 . . . . . . . 279 PHE CB . 52522 1 926 . 1 . 1 130 130 PHE N N 15 124.195 0.01 . . . . . . . 279 PHE N . 52522 1 927 . 1 . 1 131 131 SER H H 1 9.106 0.00 . . . . . . . 280 SER H . 52522 1 928 . 1 . 1 131 131 SER C C 13 174.796 0.04 . . . . . . . 280 SER C . 52522 1 929 . 1 . 1 131 131 SER CA C 13 57.398 0.03 . . . . . . . 280 SER CA . 52522 1 930 . 1 . 1 131 131 SER N N 15 124.599 0.00 . . . . . . . 280 SER N . 52522 1 931 . 1 . 1 132 132 ARG H H 1 8.735 0.00 . . . . . . . 281 ARG H . 52522 1 932 . 1 . 1 132 132 ARG C C 13 178.125 0.00 . . . . . . . 281 ARG C . 52522 1 933 . 1 . 1 132 132 ARG CA C 13 59.895 0.01 . . . . . . . 281 ARG CA . 52522 1 934 . 1 . 1 132 132 ARG CB C 13 29.587 0.00 . . . . . . . 281 ARG CB . 52522 1 935 . 1 . 1 132 132 ARG N N 15 120.089 0.02 . . . . . . . 281 ARG N . 52522 1 936 . 1 . 1 133 133 GLU H H 1 8.152 0.00 . . . . . . . 282 GLU H . 52522 1 937 . 1 . 1 133 133 GLU HA H 1 3.843 0.00 . . . . . . . 282 GLU HA . 52522 1 938 . 1 . 1 133 133 GLU C C 13 179.022 0.02 . . . . . . . 282 GLU C . 52522 1 939 . 1 . 1 133 133 GLU CA C 13 60.411 0.04 . . . . . . . 282 GLU CA . 52522 1 940 . 1 . 1 133 133 GLU CB C 13 28.619 0.00 . . . . . . . 282 GLU CB . 52522 1 941 . 1 . 1 133 133 GLU N N 15 120.433 0.01 . . . . . . . 282 GLU N . 52522 1 942 . 1 . 1 134 134 ASP H H 1 7.491 0.00 . . . . . . . 283 ASP H . 52522 1 943 . 1 . 1 134 134 ASP C C 13 177.709 0.01 . . . . . . . 283 ASP C . 52522 1 944 . 1 . 1 134 134 ASP CA C 13 57.109 0.02 . . . . . . . 283 ASP CA . 52522 1 945 . 1 . 1 134 134 ASP CB C 13 39.218 0.00 . . . . . . . 283 ASP CB . 52522 1 946 . 1 . 1 134 134 ASP N N 15 122.909 0.01 . . . . . . . 283 ASP N . 52522 1 947 . 1 . 1 135 135 ARG H H 1 7.797 0.00 . . . . . . . 284 ARG H . 52522 1 948 . 1 . 1 135 135 ARG C C 13 176.608 0.00 . . . . . . . 284 ARG C . 52522 1 949 . 1 . 1 135 135 ARG CA C 13 60.158 0.03 . . . . . . . 284 ARG CA . 52522 1 950 . 1 . 1 135 135 ARG CB C 13 30.094 0.00 . . . . . . . 284 ARG CB . 52522 1 951 . 1 . 1 135 135 ARG N N 15 121.609 0.02 . . . . . . . 284 ARG N . 52522 1 952 . 1 . 1 136 136 LEU H H 1 7.463 0.00 . . . . . . . 285 LEU H . 52522 1 953 . 1 . 1 136 136 LEU HD11 H 1 0.779 0.01 . . . . . . . 285 LEU HD1 . 52522 1 954 . 1 . 1 136 136 LEU HD12 H 1 0.779 0.01 . . . . . . . 285 LEU HD1 . 52522 1 955 . 1 . 1 136 136 LEU HD13 H 1 0.779 0.01 . . . . . . . 285 LEU HD1 . 52522 1 956 . 1 . 1 136 136 LEU C C 13 178.925 0.01 . . . . . . . 285 LEU C . 52522 1 957 . 1 . 1 136 136 LEU CA C 13 57.918 0.02 . . . . . . . 285 LEU CA . 52522 1 958 . 1 . 1 136 136 LEU CB C 13 41.553 0.00 . . . . . . . 285 LEU CB . 52522 1 959 . 1 . 1 136 136 LEU CD1 C 13 25.143 0.06 . . . . . . . 285 LEU CD1 . 52522 1 960 . 1 . 1 136 136 LEU N N 15 121.211 0.02 . . . . . . . 285 LEU N . 52522 1 961 . 1 . 1 137 137 GLU H H 1 7.716 0.00 . . . . . . . 286 GLU H . 52522 1 962 . 1 . 1 137 137 GLU C C 13 180.520 0.05 . . . . . . . 286 GLU C . 52522 1 963 . 1 . 1 137 137 GLU CA C 13 59.559 0.03 . . . . . . . 286 GLU CA . 52522 1 964 . 1 . 1 137 137 GLU CB C 13 29.572 0.00 . . . . . . . 286 GLU CB . 52522 1 965 . 1 . 1 137 137 GLU N N 15 118.945 0.01 . . . . . . . 286 GLU N . 52522 1 966 . 1 . 1 138 138 GLN H H 1 8.631 0.00 . . . . . . . 287 GLN H . 52522 1 967 . 1 . 1 138 138 GLN HA H 1 4.001 0.00 . . . . . . . 287 GLN HA . 52522 1 968 . 1 . 1 138 138 GLN HB2 H 1 2.233 0.00 . . . . . . . 287 GLN HB2 . 52522 1 969 . 1 . 1 138 138 GLN HB3 H 1 2.113 0.00 . . . . . . . 287 GLN HB3 . 52522 1 970 . 1 . 1 138 138 GLN HG2 H 1 2.133 0.00 . . . . . . . 287 GLN HG# . 52522 1 971 . 1 . 1 138 138 GLN HG3 H 1 2.133 0.00 . . . . . . . 287 GLN HG# . 52522 1 972 . 1 . 1 138 138 GLN HE21 H 1 7.728 0.00 . . . . . . . 287 GLN HE21 . 52522 1 973 . 1 . 1 138 138 GLN HE22 H 1 6.666 0.00 . . . . . . . 287 GLN HE22 . 52522 1 974 . 1 . 1 138 138 GLN C C 13 177.834 0.02 . . . . . . . 287 GLN C . 52522 1 975 . 1 . 1 138 138 GLN CA C 13 57.809 0.04 . . . . . . . 287 GLN CA . 52522 1 976 . 1 . 1 138 138 GLN CB C 13 29.664 0.00 . . . . . . . 287 GLN CB . 52522 1 977 . 1 . 1 138 138 GLN N N 15 117.583 0.02 . . . . . . . 287 GLN N . 52522 1 978 . 1 . 1 138 138 GLN NE2 N 15 115.856 0.01 . . . . . . . 287 GLN NE2 . 52522 1 979 . 1 . 1 139 139 ALA H H 1 8.922 0.00 . . . . . . . 288 ALA H . 52522 1 980 . 1 . 1 139 139 ALA HB1 H 1 1.396 0.00 . . . . . . . 288 ALA HB . 52522 1 981 . 1 . 1 139 139 ALA HB2 H 1 1.396 0.00 . . . . . . . 288 ALA HB . 52522 1 982 . 1 . 1 139 139 ALA HB3 H 1 1.396 0.00 . . . . . . . 288 ALA HB . 52522 1 983 . 1 . 1 139 139 ALA C C 13 180.125 0.03 . . . . . . . 288 ALA C . 52522 1 984 . 1 . 1 139 139 ALA CA C 13 56.018 0.02 . . . . . . . 288 ALA CA . 52522 1 985 . 1 . 1 139 139 ALA CB C 13 19.138 0.01 . . . . . . . 288 ALA CB . 52522 1 986 . 1 . 1 139 139 ALA N N 15 127.273 0.03 . . . . . . . 288 ALA N . 52522 1 987 . 1 . 1 140 140 LYS H H 1 8.149 0.00 . . . . . . . 289 LYS H . 52522 1 988 . 1 . 1 140 140 LYS C C 13 179.654 0.00 . . . . . . . 289 LYS C . 52522 1 989 . 1 . 1 140 140 LYS CA C 13 60.396 0.01 . . . . . . . 289 LYS CA . 52522 1 990 . 1 . 1 140 140 LYS N N 15 118.941 0.03 . . . . . . . 289 LYS N . 52522 1 991 . 1 . 1 141 141 LEU H H 1 7.974 0.00 . . . . . . . 290 LEU H . 52522 1 992 . 1 . 1 141 141 LEU HA H 1 3.777 0.00 . . . . . . . 290 LEU HA . 52522 1 993 . 1 . 1 141 141 LEU HD11 H 1 0.901 0.01 . . . . . . . 290 LEU HD1 . 52522 1 994 . 1 . 1 141 141 LEU HD12 H 1 0.901 0.01 . . . . . . . 290 LEU HD1 . 52522 1 995 . 1 . 1 141 141 LEU HD13 H 1 0.901 0.01 . . . . . . . 290 LEU HD1 . 52522 1 996 . 1 . 1 141 141 LEU HD21 H 1 0.893 0.01 . . . . . . . 290 LEU HD2 . 52522 1 997 . 1 . 1 141 141 LEU HD22 H 1 0.893 0.01 . . . . . . . 290 LEU HD2 . 52522 1 998 . 1 . 1 141 141 LEU HD23 H 1 0.893 0.01 . . . . . . . 290 LEU HD2 . 52522 1 999 . 1 . 1 141 141 LEU C C 13 179.978 0.00 . . . . . . . 290 LEU C . 52522 1 1000 . 1 . 1 141 141 LEU CA C 13 57.443 0.04 . . . . . . . 290 LEU CA . 52522 1 1001 . 1 . 1 141 141 LEU CB C 13 41.707 0.00 . . . . . . . 290 LEU CB . 52522 1 1002 . 1 . 1 141 141 LEU CD1 C 13 24.914 0.03 . . . . . . . 290 LEU CD1 . 52522 1 1003 . 1 . 1 141 141 LEU CD2 C 13 23.566 0.06 . . . . . . . 290 LEU CD2 . 52522 1 1004 . 1 . 1 141 141 LEU N N 15 122.233 0.03 . . . . . . . 290 LEU N . 52522 1 1005 . 1 . 1 142 142 PHE H H 1 9.114 0.00 . . . . . . . 291 PHE H . 52522 1 1006 . 1 . 1 142 142 PHE HA H 1 3.560 0.00 . . . . . . . 291 PHE HA . 52522 1 1007 . 1 . 1 142 142 PHE HB2 H 1 2.892 0.00 . . . . . . . 291 PHE HB# . 52522 1 1008 . 1 . 1 142 142 PHE HB3 H 1 2.892 0.00 . . . . . . . 291 PHE HB# . 52522 1 1009 . 1 . 1 142 142 PHE HD1 H 1 7.090 0.01 . . . . . . . 291 PHE HD# . 52522 1 1010 . 1 . 1 142 142 PHE HD2 H 1 7.090 0.01 . . . . . . . 291 PHE HD# . 52522 1 1011 . 1 . 1 142 142 PHE HE1 H 1 6.692 0.00 . . . . . . . 291 PHE HE# . 52522 1 1012 . 1 . 1 142 142 PHE HE2 H 1 6.692 0.00 . . . . . . . 291 PHE HE# . 52522 1 1013 . 1 . 1 142 142 PHE C C 13 175.087 0.01 . . . . . . . 291 PHE C . 52522 1 1014 . 1 . 1 142 142 PHE CA C 13 61.828 0.03 . . . . . . . 291 PHE CA . 52522 1 1015 . 1 . 1 142 142 PHE CB C 13 38.589 0.00 . . . . . . . 291 PHE CB . 52522 1 1016 . 1 . 1 142 142 PHE N N 15 126.544 0.02 . . . . . . . 291 PHE N . 52522 1 1017 . 1 . 1 143 143 CYS H H 1 7.892 0.00 . . . . . . . 292 CYS H . 52522 1 1018 . 1 . 1 143 143 CYS HB2 H 1 3.050 0.00 . . . . . . . 292 CYS HB2 . 52522 1 1019 . 1 . 1 143 143 CYS HB3 H 1 2.827 0.00 . . . . . . . 292 CYS HB3 . 52522 1 1020 . 1 . 1 143 143 CYS C C 13 175.477 0.00 . . . . . . . 292 CYS C . 52522 1 1021 . 1 . 1 143 143 CYS CA C 13 63.275 0.02 . . . . . . . 292 CYS CA . 52522 1 1022 . 1 . 1 143 143 CYS CB C 13 26.256 0.00 . . . . . . . 292 CYS CB . 52522 1 1023 . 1 . 1 143 143 CYS N N 15 118.770 0.01 . . . . . . . 292 CYS N . 52522 1 1024 . 1 . 1 144 144 GLN H H 1 8.061 0.00 . . . . . . . 293 GLN H . 52522 1 1025 . 1 . 1 144 144 GLN HB2 H 1 2.059 0.00 . . . . . . . 293 GLN HB2 . 52522 1 1026 . 1 . 1 144 144 GLN HB3 H 1 1.961 0.00 . . . . . . . 293 GLN HB3 . 52522 1 1027 . 1 . 1 144 144 GLN HG2 H 1 2.284 0.01 . . . . . . . 293 GLN HG# . 52522 1 1028 . 1 . 1 144 144 GLN HG3 H 1 2.284 0.01 . . . . . . . 293 GLN HG# . 52522 1 1029 . 1 . 1 144 144 GLN HE21 H 1 7.548 0.00 . . . . . . . 293 GLN HE21 . 52522 1 1030 . 1 . 1 144 144 GLN HE22 H 1 6.676 0.00 . . . . . . . 293 GLN HE22 . 52522 1 1031 . 1 . 1 144 144 GLN C C 13 177.664 0.02 . . . . . . . 293 GLN C . 52522 1 1032 . 1 . 1 144 144 GLN CA C 13 58.558 0.02 . . . . . . . 293 GLN CA . 52522 1 1033 . 1 . 1 144 144 GLN CB C 13 29.257 0.00 . . . . . . . 293 GLN CB . 52522 1 1034 . 1 . 1 144 144 GLN CG C 13 33.865 0.01 . . . . . . . 293 GLN CG . 52522 1 1035 . 1 . 1 144 144 GLN N N 15 118.252 0.02 . . . . . . . 293 GLN N . 52522 1 1036 . 1 . 1 144 144 GLN NE2 N 15 114.906 0.00 . . . . . . . 293 GLN NE2 . 52522 1 1037 . 1 . 1 145 145 THR H H 1 8.401 0.00 . . . . . . . 294 THR H . 52522 1 1038 . 1 . 1 145 145 THR HB H 1 3.754 0.00 . . . . . . . 294 THR HB . 52522 1 1039 . 1 . 1 145 145 THR HG21 H 1 1.053 0.00 . . . . . . . 294 THR HG2 . 52522 1 1040 . 1 . 1 145 145 THR HG22 H 1 1.053 0.00 . . . . . . . 294 THR HG2 . 52522 1 1041 . 1 . 1 145 145 THR HG23 H 1 1.053 0.00 . . . . . . . 294 THR HG2 . 52522 1 1042 . 1 . 1 145 145 THR C C 13 175.602 0.00 . . . . . . . 294 THR C . 52522 1 1043 . 1 . 1 145 145 THR CA C 13 66.834 0.03 . . . . . . . 294 THR CA . 52522 1 1044 . 1 . 1 145 145 THR CB C 13 68.654 0.00 . . . . . . . 294 THR CB . 52522 1 1045 . 1 . 1 145 145 THR CG2 C 13 21.284 0.02 . . . . . . . 294 THR CG2 . 52522 1 1046 . 1 . 1 145 145 THR N N 15 116.067 0.01 . . . . . . . 294 THR N . 52522 1 1047 . 1 . 1 146 146 LEU H H 1 7.903 0.00 . . . . . . . 295 LEU H . 52522 1 1048 . 1 . 1 146 146 LEU HA H 1 3.537 0.00 . . . . . . . 295 LEU HA . 52522 1 1049 . 1 . 1 146 146 LEU HD11 H 1 0.732 0.00 . . . . . . . 295 LEU HD1 . 52522 1 1050 . 1 . 1 146 146 LEU HD12 H 1 0.732 0.00 . . . . . . . 295 LEU HD1 . 52522 1 1051 . 1 . 1 146 146 LEU HD13 H 1 0.732 0.00 . . . . . . . 295 LEU HD1 . 52522 1 1052 . 1 . 1 146 146 LEU HD21 H 1 0.621 0.00 . . . . . . . 295 LEU HD2 . 52522 1 1053 . 1 . 1 146 146 LEU HD22 H 1 0.621 0.00 . . . . . . . 295 LEU HD2 . 52522 1 1054 . 1 . 1 146 146 LEU HD23 H 1 0.621 0.00 . . . . . . . 295 LEU HD2 . 52522 1 1055 . 1 . 1 146 146 LEU C C 13 177.694 0.03 . . . . . . . 295 LEU C . 52522 1 1056 . 1 . 1 146 146 LEU CA C 13 57.652 0.02 . . . . . . . 295 LEU CA . 52522 1 1057 . 1 . 1 146 146 LEU CB C 13 41.751 0.00 . . . . . . . 295 LEU CB . 52522 1 1058 . 1 . 1 146 146 LEU CD2 C 13 23.592 0.06 . . . . . . . 295 LEU CD2 . 52522 1 1059 . 1 . 1 146 146 LEU N N 15 121.765 0.02 . . . . . . . 295 LEU N . 52522 1 1060 . 1 . 1 147 147 GLU H H 1 8.125 0.00 . . . . . . . 296 GLU H . 52522 1 1061 . 1 . 1 147 147 GLU C C 13 179.262 0.01 . . . . . . . 296 GLU C . 52522 1 1062 . 1 . 1 147 147 GLU CA C 13 60.231 0.02 . . . . . . . 296 GLU CA . 52522 1 1063 . 1 . 1 147 147 GLU CB C 13 29.374 0.00 . . . . . . . 296 GLU CB . 52522 1 1064 . 1 . 1 147 147 GLU N N 15 119.125 0.04 . . . . . . . 296 GLU N . 52522 1 1065 . 1 . 1 148 148 ASP H H 1 7.836 0.00 . . . . . . . 297 ASP H . 52522 1 1066 . 1 . 1 148 148 ASP HB2 H 1 2.784 0.00 . . . . . . . 297 ASP HB2 . 52522 1 1067 . 1 . 1 148 148 ASP HB3 H 1 2.490 0.00 . . . . . . . 297 ASP HB3 . 52522 1 1068 . 1 . 1 148 148 ASP C C 13 178.981 0.02 . . . . . . . 297 ASP C . 52522 1 1069 . 1 . 1 148 148 ASP CA C 13 57.288 0.02 . . . . . . . 297 ASP CA . 52522 1 1070 . 1 . 1 148 148 ASP CB C 13 40.031 0.00 . . . . . . . 297 ASP CB . 52522 1 1071 . 1 . 1 148 148 ASP N N 15 121.254 0.03 . . . . . . . 297 ASP N . 52522 1 1072 . 1 . 1 149 149 ILE H H 1 7.907 0.01 . . . . . . . 298 ILE H . 52522 1 1073 . 1 . 1 149 149 ILE HG21 H 1 -0.535 0.00 . . . . . . . 298 ILE HG2 . 52522 1 1074 . 1 . 1 149 149 ILE HG22 H 1 -0.535 0.00 . . . . . . . 298 ILE HG2 . 52522 1 1075 . 1 . 1 149 149 ILE HG23 H 1 -0.535 0.00 . . . . . . . 298 ILE HG2 . 52522 1 1076 . 1 . 1 149 149 ILE HD11 H 1 -0.925 0.00 . . . . . . . 298 ILE HD1 . 52522 1 1077 . 1 . 1 149 149 ILE HD12 H 1 -0.925 0.00 . . . . . . . 298 ILE HD1 . 52522 1 1078 . 1 . 1 149 149 ILE HD13 H 1 -0.925 0.00 . . . . . . . 298 ILE HD1 . 52522 1 1079 . 1 . 1 149 149 ILE C C 13 179.572 0.00 . . . . . . . 298 ILE C . 52522 1 1080 . 1 . 1 149 149 ILE CA C 13 65.166 0.03 . . . . . . . 298 ILE CA . 52522 1 1081 . 1 . 1 149 149 ILE CB C 13 41.541 0.00 . . . . . . . 298 ILE CB . 52522 1 1082 . 1 . 1 149 149 ILE CG2 C 13 15.972 0.00 . . . . . . . 298 ILE CG2 . 52522 1 1083 . 1 . 1 149 149 ILE CD1 C 13 12.867 0.01 . . . . . . . 298 ILE CD1 . 52522 1 1084 . 1 . 1 149 149 ILE N N 15 122.665 0.02 . . . . . . . 298 ILE N . 52522 1 1085 . 1 . 1 150 150 LEU H H 1 8.125 0.00 . . . . . . . 299 LEU H . 52522 1 1086 . 1 . 1 150 150 LEU HA H 1 3.599 0.01 . . . . . . . 299 LEU HA . 52522 1 1087 . 1 . 1 150 150 LEU HD11 H 1 0.601 0.01 . . . . . . . 299 LEU HD1 . 52522 1 1088 . 1 . 1 150 150 LEU HD12 H 1 0.601 0.01 . . . . . . . 299 LEU HD1 . 52522 1 1089 . 1 . 1 150 150 LEU HD13 H 1 0.601 0.01 . . . . . . . 299 LEU HD1 . 52522 1 1090 . 1 . 1 150 150 LEU HD21 H 1 0.566 0.00 . . . . . . . 299 LEU HD2 . 52522 1 1091 . 1 . 1 150 150 LEU HD22 H 1 0.566 0.00 . . . . . . . 299 LEU HD2 . 52522 1 1092 . 1 . 1 150 150 LEU HD23 H 1 0.566 0.00 . . . . . . . 299 LEU HD2 . 52522 1 1093 . 1 . 1 150 150 LEU C C 13 179.034 0.04 . . . . . . . 299 LEU C . 52522 1 1094 . 1 . 1 150 150 LEU CA C 13 57.162 0.03 . . . . . . . 299 LEU CA . 52522 1 1095 . 1 . 1 150 150 LEU CB C 13 41.109 0.00 . . . . . . . 299 LEU CB . 52522 1 1096 . 1 . 1 150 150 LEU CD1 C 13 26.214 0.03 . . . . . . . 299 LEU CD1 . 52522 1 1097 . 1 . 1 150 150 LEU CD2 C 13 22.766 0.03 . . . . . . . 299 LEU CD2 . 52522 1 1098 . 1 . 1 150 150 LEU N N 15 118.957 0.06 . . . . . . . 299 LEU N . 52522 1 1099 . 1 . 1 151 151 ALA H H 1 7.679 0.00 . . . . . . . 300 ALA H . 52522 1 1100 . 1 . 1 151 151 ALA HA H 1 3.912 0.00 . . . . . . . 300 ALA HA . 52522 1 1101 . 1 . 1 151 151 ALA HB1 H 1 1.370 0.01 . . . . . . . 300 ALA HB . 52522 1 1102 . 1 . 1 151 151 ALA HB2 H 1 1.370 0.01 . . . . . . . 300 ALA HB . 52522 1 1103 . 1 . 1 151 151 ALA HB3 H 1 1.370 0.01 . . . . . . . 300 ALA HB . 52522 1 1104 . 1 . 1 151 151 ALA C C 13 178.780 0.04 . . . . . . . 300 ALA C . 52522 1 1105 . 1 . 1 151 151 ALA CA C 13 54.533 0.02 . . . . . . . 300 ALA CA . 52522 1 1106 . 1 . 1 151 151 ALA CB C 13 18.147 0.03 . . . . . . . 300 ALA CB . 52522 1 1107 . 1 . 1 151 151 ALA N N 15 120.965 0.06 . . . . . . . 300 ALA N . 52522 1 1108 . 1 . 1 152 152 ASP H H 1 6.803 0.00 . . . . . . . 301 ASP H . 52522 1 1109 . 1 . 1 152 152 ASP HA H 1 4.756 0.00 . . . . . . . 301 ASP HA . 52522 1 1110 . 1 . 1 152 152 ASP HB2 H 1 2.734 0.00 . . . . . . . 301 ASP HB2 . 52522 1 1111 . 1 . 1 152 152 ASP HB3 H 1 2.453 0.00 . . . . . . . 301 ASP HB3 . 52522 1 1112 . 1 . 1 152 152 ASP C C 13 175.088 0.03 . . . . . . . 301 ASP C . 52522 1 1113 . 1 . 1 152 152 ASP CA C 13 53.602 0.03 . . . . . . . 301 ASP CA . 52522 1 1114 . 1 . 1 152 152 ASP CB C 13 42.350 0.00 . . . . . . . 301 ASP CB . 52522 1 1115 . 1 . 1 152 152 ASP N N 15 115.515 0.02 . . . . . . . 301 ASP N . 52522 1 1116 . 1 . 1 153 153 ALA H H 1 7.304 0.00 . . . . . . . 302 ALA H . 52522 1 1117 . 1 . 1 153 153 ALA HB1 H 1 1.278 0.01 . . . . . . . 302 ALA HB . 52522 1 1118 . 1 . 1 153 153 ALA HB2 H 1 1.278 0.01 . . . . . . . 302 ALA HB . 52522 1 1119 . 1 . 1 153 153 ALA HB3 H 1 1.278 0.01 . . . . . . . 302 ALA HB . 52522 1 1120 . 1 . 1 153 153 ALA C C 13 175.867 0.00 . . . . . . . 302 ALA C . 52522 1 1121 . 1 . 1 153 153 ALA CA C 13 50.139 0.00 . . . . . . . 302 ALA CA . 52522 1 1122 . 1 . 1 153 153 ALA CB C 13 18.670 0.03 . . . . . . . 302 ALA CB . 52522 1 1123 . 1 . 1 153 153 ALA N N 15 125.225 0.02 . . . . . . . 302 ALA N . 52522 1 1124 . 1 . 1 154 154 PRO HA H 1 4.222 0.00 . . . . . . . 303 PRO HA . 52522 1 1125 . 1 . 1 154 154 PRO C C 13 178.132 0.00 . . . . . . . 303 PRO C . 52522 1 1126 . 1 . 1 154 154 PRO CA C 13 64.724 0.02 . . . . . . . 303 PRO CA . 52522 1 1127 . 1 . 1 154 154 PRO CB C 13 32.041 0.00 . . . . . . . 303 PRO CB . 52522 1 1128 . 1 . 1 155 155 GLU H H 1 8.756 0.00 . . . . . . . 304 GLU H . 52522 1 1129 . 1 . 1 155 155 GLU HA H 1 4.086 0.00 . . . . . . . 304 GLU HA . 52522 1 1130 . 1 . 1 155 155 GLU C C 13 177.245 0.02 . . . . . . . 304 GLU C . 52522 1 1131 . 1 . 1 155 155 GLU CA C 13 58.395 0.01 . . . . . . . 304 GLU CA . 52522 1 1132 . 1 . 1 155 155 GLU CB C 13 28.523 0.00 . . . . . . . 304 GLU CB . 52522 1 1133 . 1 . 1 155 155 GLU N N 15 116.326 0.01 . . . . . . . 304 GLU N . 52522 1 1134 . 1 . 1 156 156 SER H H 1 7.608 0.00 . . . . . . . 305 SER H . 52522 1 1135 . 1 . 1 156 156 SER HB2 H 1 4.600 0.00 . . . . . . . 305 SER HB2 . 52522 1 1136 . 1 . 1 156 156 SER C C 13 175.032 0.02 . . . . . . . 305 SER C . 52522 1 1137 . 1 . 1 156 156 SER CA C 13 59.499 0.02 . . . . . . . 305 SER CA . 52522 1 1138 . 1 . 1 156 156 SER CB C 13 63.599 0.00 . . . . . . . 305 SER CB . 52522 1 1139 . 1 . 1 156 156 SER N N 15 114.631 0.02 . . . . . . . 305 SER N . 52522 1 1140 . 1 . 1 157 157 GLN H H 1 7.957 0.00 . . . . . . . 306 GLN H . 52522 1 1141 . 1 . 1 157 157 GLN C C 13 175.895 0.02 . . . . . . . 306 GLN C . 52522 1 1142 . 1 . 1 157 157 GLN CA C 13 56.879 0.01 . . . . . . . 306 GLN CA . 52522 1 1143 . 1 . 1 157 157 GLN CB C 13 28.481 0.00 . . . . . . . 306 GLN CB . 52522 1 1144 . 1 . 1 157 157 GLN N N 15 123.220 0.03 . . . . . . . 306 GLN N . 52522 1 1145 . 1 . 1 158 158 ASN H H 1 8.320 0.00 . . . . . . . 307 ASN H . 52522 1 1146 . 1 . 1 158 158 ASN HA H 1 4.452 0.00 . . . . . . . 307 ASN HA . 52522 1 1147 . 1 . 1 158 158 ASN HB2 H 1 2.792 0.00 . . . . . . . 307 ASN HB2 . 52522 1 1148 . 1 . 1 158 158 ASN HB3 H 1 2.653 0.01 . . . . . . . 307 ASN HB3 . 52522 1 1149 . 1 . 1 158 158 ASN HD21 H 1 7.457 0.00 . . . . . . . 307 ASN HD21 . 52522 1 1150 . 1 . 1 158 158 ASN HD22 H 1 6.854 0.00 . . . . . . . 307 ASN HD22 . 52522 1 1151 . 1 . 1 158 158 ASN C C 13 175.077 0.03 . . . . . . . 307 ASN C . 52522 1 1152 . 1 . 1 158 158 ASN CA C 13 54.001 0.02 . . . . . . . 307 ASN CA . 52522 1 1153 . 1 . 1 158 158 ASN CB C 13 38.339 0.00 . . . . . . . 307 ASN CB . 52522 1 1154 . 1 . 1 158 158 ASN N N 15 116.545 0.02 . . . . . . . 307 ASN N . 52522 1 1155 . 1 . 1 158 158 ASN ND2 N 15 113.699 0.01 . . . . . . . 307 ASN ND2 . 52522 1 1156 . 1 . 1 159 159 ASN H H 1 7.770 0.00 . . . . . . . 308 ASN H . 52522 1 1157 . 1 . 1 159 159 ASN HA H 1 4.710 0.00 . . . . . . . 308 ASN HA . 52522 1 1158 . 1 . 1 159 159 ASN C C 13 174.003 0.02 . . . . . . . 308 ASN C . 52522 1 1159 . 1 . 1 159 159 ASN CA C 13 53.016 0.02 . . . . . . . 308 ASN CA . 52522 1 1160 . 1 . 1 159 159 ASN CB C 13 39.771 0.00 . . . . . . . 308 ASN CB . 52522 1 1161 . 1 . 1 159 159 ASN N N 15 114.332 0.01 . . . . . . . 308 ASN N . 52522 1 1162 . 1 . 1 160 160 CYS H H 1 7.769 0.00 . . . . . . . 309 CYS H . 52522 1 1163 . 1 . 1 160 160 CYS HA H 1 5.189 0.01 . . . . . . . 309 CYS HA . 52522 1 1164 . 1 . 1 160 160 CYS HB2 H 1 2.572 0.00 . . . . . . . 309 CYS HB# . 52522 1 1165 . 1 . 1 160 160 CYS HB3 H 1 2.572 0.00 . . . . . . . 309 CYS HB# . 52522 1 1166 . 1 . 1 160 160 CYS C C 13 172.525 0.01 . . . . . . . 309 CYS C . 52522 1 1167 . 1 . 1 160 160 CYS CA C 13 56.928 0.02 . . . . . . . 309 CYS CA . 52522 1 1168 . 1 . 1 160 160 CYS CB C 13 30.481 0.00 . . . . . . . 309 CYS CB . 52522 1 1169 . 1 . 1 160 160 CYS N N 15 117.770 0.02 . . . . . . . 309 CYS N . 52522 1 1170 . 1 . 1 161 161 ARG H H 1 8.576 0.00 . . . . . . . 310 ARG H . 52522 1 1171 . 1 . 1 161 161 ARG HA H 1 4.420 0.00 . . . . . . . 310 ARG HA . 52522 1 1172 . 1 . 1 161 161 ARG HD2 H 1 3.239 0.00 . . . . . . . 310 ARG HD2 . 52522 1 1173 . 1 . 1 161 161 ARG HD3 H 1 3.141 0.00 . . . . . . . 310 ARG HD3 . 52522 1 1174 . 1 . 1 161 161 ARG C C 13 173.166 0.00 . . . . . . . 310 ARG C . 52522 1 1175 . 1 . 1 161 161 ARG CA C 13 53.631 0.02 . . . . . . . 310 ARG CA . 52522 1 1176 . 1 . 1 161 161 ARG N N 15 126.210 0.01 . . . . . . . 310 ARG N . 52522 1 1177 . 1 . 1 162 162 LEU H H 1 8.642 0.00 . . . . . . . 311 LEU H . 52522 1 1178 . 1 . 1 162 162 LEU HA H 1 4.506 0.00 . . . . . . . 311 LEU HA . 52522 1 1179 . 1 . 1 162 162 LEU HD11 H 1 0.731 0.00 . . . . . . . 311 LEU HD1 . 52522 1 1180 . 1 . 1 162 162 LEU HD12 H 1 0.731 0.00 . . . . . . . 311 LEU HD1 . 52522 1 1181 . 1 . 1 162 162 LEU HD13 H 1 0.731 0.00 . . . . . . . 311 LEU HD1 . 52522 1 1182 . 1 . 1 162 162 LEU HD21 H 1 0.653 0.00 . . . . . . . 311 LEU HD2 . 52522 1 1183 . 1 . 1 162 162 LEU HD22 H 1 0.653 0.00 . . . . . . . 311 LEU HD2 . 52522 1 1184 . 1 . 1 162 162 LEU HD23 H 1 0.653 0.00 . . . . . . . 311 LEU HD2 . 52522 1 1185 . 1 . 1 162 162 LEU C C 13 176.393 0.00 . . . . . . . 311 LEU C . 52522 1 1186 . 1 . 1 162 162 LEU CA C 13 54.267 0.01 . . . . . . . 311 LEU CA . 52522 1 1187 . 1 . 1 162 162 LEU CB C 13 41.208 0.00 . . . . . . . 311 LEU CB . 52522 1 1188 . 1 . 1 162 162 LEU CD1 C 13 25.583 0.00 . . . . . . . 311 LEU CD1 . 52522 1 1189 . 1 . 1 162 162 LEU CD2 C 13 23.913 0.04 . . . . . . . 311 LEU CD2 . 52522 1 1190 . 1 . 1 162 162 LEU N N 15 125.399 0.01 . . . . . . . 311 LEU N . 52522 1 1191 . 1 . 1 163 163 ILE H H 1 9.153 0.01 . . . . . . . 312 ILE H . 52522 1 1192 . 1 . 1 163 163 ILE HA H 1 3.933 0.00 . . . . . . . 312 ILE HA . 52522 1 1193 . 1 . 1 163 163 ILE HG21 H 1 0.570 0.01 . . . . . . . 312 ILE HG2 . 52522 1 1194 . 1 . 1 163 163 ILE HG22 H 1 0.570 0.01 . . . . . . . 312 ILE HG2 . 52522 1 1195 . 1 . 1 163 163 ILE HG23 H 1 0.570 0.01 . . . . . . . 312 ILE HG2 . 52522 1 1196 . 1 . 1 163 163 ILE HD11 H 1 0.478 0.01 . . . . . . . 312 ILE HD1 . 52522 1 1197 . 1 . 1 163 163 ILE HD12 H 1 0.478 0.01 . . . . . . . 312 ILE HD1 . 52522 1 1198 . 1 . 1 163 163 ILE HD13 H 1 0.478 0.01 . . . . . . . 312 ILE HD1 . 52522 1 1199 . 1 . 1 163 163 ILE C C 13 172.974 0.03 . . . . . . . 312 ILE C . 52522 1 1200 . 1 . 1 163 163 ILE CA C 13 60.252 0.04 . . . . . . . 312 ILE CA . 52522 1 1201 . 1 . 1 163 163 ILE CB C 13 37.420 0.00 . . . . . . . 312 ILE CB . 52522 1 1202 . 1 . 1 163 163 ILE CG2 C 13 16.565 0.01 . . . . . . . 312 ILE CG2 . 52522 1 1203 . 1 . 1 163 163 ILE CD1 C 13 14.376 0.05 . . . . . . . 312 ILE CD1 . 52522 1 1204 . 1 . 1 163 163 ILE N N 15 126.518 0.01 . . . . . . . 312 ILE N . 52522 1 1205 . 1 . 1 164 164 ALA H H 1 8.490 0.00 . . . . . . . 313 ALA H . 52522 1 1206 . 1 . 1 164 164 ALA HA H 1 5.376 0.00 . . . . . . . 313 ALA HA . 52522 1 1207 . 1 . 1 164 164 ALA HB1 H 1 1.349 0.00 . . . . . . . 313 ALA HB . 52522 1 1208 . 1 . 1 164 164 ALA HB2 H 1 1.349 0.00 . . . . . . . 313 ALA HB . 52522 1 1209 . 1 . 1 164 164 ALA HB3 H 1 1.349 0.00 . . . . . . . 313 ALA HB . 52522 1 1210 . 1 . 1 164 164 ALA C C 13 178.070 0.05 . . . . . . . 313 ALA C . 52522 1 1211 . 1 . 1 164 164 ALA CA C 13 50.657 0.03 . . . . . . . 313 ALA CA . 52522 1 1212 . 1 . 1 164 164 ALA CB C 13 20.760 0.02 . . . . . . . 313 ALA CB . 52522 1 1213 . 1 . 1 164 164 ALA N N 15 131.085 0.01 . . . . . . . 313 ALA N . 52522 1 1214 . 1 . 1 165 165 TYR H H 1 7.320 0.00 . . . . . . . 314 TYR H . 52522 1 1215 . 1 . 1 165 165 TYR HA H 1 4.831 0.00 . . . . . . . 314 TYR HA . 52522 1 1216 . 1 . 1 165 165 TYR HD1 H 1 6.553 0.01 . . . . . . . 314 TYR HD# . 52522 1 1217 . 1 . 1 165 165 TYR HD2 H 1 6.553 0.01 . . . . . . . 314 TYR HD# . 52522 1 1218 . 1 . 1 165 165 TYR HE1 H 1 6.556 0.00 . . . . . . . 314 TYR HE# . 52522 1 1219 . 1 . 1 165 165 TYR HE2 H 1 6.556 0.00 . . . . . . . 314 TYR HE# . 52522 1 1220 . 1 . 1 165 165 TYR C C 13 172.900 0.00 . . . . . . . 314 TYR C . 52522 1 1221 . 1 . 1 165 165 TYR CA C 13 55.758 0.02 . . . . . . . 314 TYR CA . 52522 1 1222 . 1 . 1 165 165 TYR CB C 13 39.655 0.00 . . . . . . . 314 TYR CB . 52522 1 1223 . 1 . 1 165 165 TYR N N 15 117.930 0.02 . . . . . . . 314 TYR N . 52522 1 1224 . 1 . 1 166 166 GLN H H 1 8.459 0.00 . . . . . . . 315 GLN H . 52522 1 1225 . 1 . 1 166 166 GLN HA H 1 4.300 0.00 . . . . . . . 315 GLN HA . 52522 1 1226 . 1 . 1 166 166 GLN C C 13 174.256 0.00 . . . . . . . 315 GLN C . 52522 1 1227 . 1 . 1 166 166 GLN CA C 13 54.396 0.02 . . . . . . . 315 GLN CA . 52522 1 1228 . 1 . 1 166 166 GLN CB C 13 31.496 0.00 . . . . . . . 315 GLN CB . 52522 1 1229 . 1 . 1 166 166 GLN N N 15 121.371 0.02 . . . . . . . 315 GLN N . 52522 1 1230 . 1 . 1 167 167 GLU H H 1 8.773 0.00 . . . . . . . 316 GLU H . 52522 1 1231 . 1 . 1 167 167 GLU HA H 1 3.875 0.00 . . . . . . . 316 GLU HA . 52522 1 1232 . 1 . 1 167 167 GLU C C 13 174.328 0.00 . . . . . . . 316 GLU C . 52522 1 1233 . 1 . 1 167 167 GLU CA C 13 54.638 0.00 . . . . . . . 316 GLU CA . 52522 1 1234 . 1 . 1 167 167 GLU N N 15 126.570 0.02 . . . . . . . 316 GLU N . 52522 1 1235 . 1 . 1 168 168 PRO C C 13 176.598 0.00 . . . . . . . 317 PRO C . 52522 1 1236 . 1 . 1 168 168 PRO CA C 13 62.717 0.04 . . . . . . . 317 PRO CA . 52522 1 1237 . 1 . 1 168 168 PRO CB C 13 32.410 0.00 . . . . . . . 317 PRO CB . 52522 1 1238 . 1 . 1 169 169 ALA H H 1 8.369 0.00 . . . . . . . 318 ALA H . 52522 1 1239 . 1 . 1 169 169 ALA HB1 H 1 1.293 0.00 . . . . . . . 318 ALA HB . 52522 1 1240 . 1 . 1 169 169 ALA HB2 H 1 1.293 0.00 . . . . . . . 318 ALA HB . 52522 1 1241 . 1 . 1 169 169 ALA HB3 H 1 1.293 0.00 . . . . . . . 318 ALA HB . 52522 1 1242 . 1 . 1 169 169 ALA C C 13 177.650 0.01 . . . . . . . 318 ALA C . 52522 1 1243 . 1 . 1 169 169 ALA CA C 13 52.703 0.03 . . . . . . . 318 ALA CA . 52522 1 1244 . 1 . 1 169 169 ALA CB C 13 19.098 0.03 . . . . . . . 318 ALA CB . 52522 1 1245 . 1 . 1 169 169 ALA N N 15 124.600 0.01 . . . . . . . 318 ALA N . 52522 1 1246 . 1 . 1 170 170 ASP H H 1 7.973 0.00 . . . . . . . 319 ASP H . 52522 1 1247 . 1 . 1 170 170 ASP C C 13 175.493 0.01 . . . . . . . 319 ASP C . 52522 1 1248 . 1 . 1 170 170 ASP CA C 13 53.730 0.04 . . . . . . . 319 ASP CA . 52522 1 1249 . 1 . 1 170 170 ASP CB C 13 40.714 0.00 . . . . . . . 319 ASP CB . 52522 1 1250 . 1 . 1 170 170 ASP N N 15 117.714 0.01 . . . . . . . 319 ASP N . 52522 1 1251 . 1 . 1 171 171 ASP H H 1 7.916 0.00 . . . . . . . 320 ASP H . 52522 1 1252 . 1 . 1 171 171 ASP C C 13 176.303 0.04 . . . . . . . 320 ASP C . 52522 1 1253 . 1 . 1 171 171 ASP CA C 13 54.158 0.04 . . . . . . . 320 ASP CA . 52522 1 1254 . 1 . 1 171 171 ASP CB C 13 40.812 0.00 . . . . . . . 320 ASP CB . 52522 1 1255 . 1 . 1 171 171 ASP N N 15 118.661 0.01 . . . . . . . 320 ASP N . 52522 1 1256 . 1 . 1 172 172 SER H H 1 8.175 0.00 . . . . . . . 321 SER H . 52522 1 1257 . 1 . 1 172 172 SER C C 13 174.547 0.04 . . . . . . . 321 SER C . 52522 1 1258 . 1 . 1 172 172 SER CA C 13 59.129 0.05 . . . . . . . 321 SER CA . 52522 1 1259 . 1 . 1 172 172 SER CB C 13 63.762 0.00 . . . . . . . 321 SER CB . 52522 1 1260 . 1 . 1 172 172 SER N N 15 117.893 0.02 . . . . . . . 321 SER N . 52522 1 1261 . 1 . 1 173 173 SER H H 1 8.397 0.00 . . . . . . . 322 SER H . 52522 1 1262 . 1 . 1 173 173 SER C C 13 174.099 0.05 . . . . . . . 322 SER C . 52522 1 1263 . 1 . 1 173 173 SER CA C 13 58.766 0.05 . . . . . . . 322 SER CA . 52522 1 1264 . 1 . 1 173 173 SER CB C 13 63.836 0.00 . . . . . . . 322 SER CB . 52522 1 1265 . 1 . 1 173 173 SER N N 15 117.663 0.01 . . . . . . . 322 SER N . 52522 1 1266 . 1 . 1 174 174 PHE H H 1 8.021 0.00 . . . . . . . 323 PHE H . 52522 1 1267 . 1 . 1 174 174 PHE HB2 H 1 3.036 0.00 . . . . . . . 323 PHE HB2 . 52522 1 1268 . 1 . 1 174 174 PHE HB3 H 1 2.821 0.00 . . . . . . . 323 PHE HB3 . 52522 1 1269 . 1 . 1 174 174 PHE HD1 H 1 7.140 0.00 . . . . . . . 323 PHE HD# . 52522 1 1270 . 1 . 1 174 174 PHE HD2 H 1 7.140 0.00 . . . . . . . 323 PHE HD# . 52522 1 1271 . 1 . 1 174 174 PHE C C 13 174.315 0.04 . . . . . . . 323 PHE C . 52522 1 1272 . 1 . 1 174 174 PHE CA C 13 58.585 0.06 . . . . . . . 323 PHE CA . 52522 1 1273 . 1 . 1 174 174 PHE CB C 13 40.846 0.00 . . . . . . . 323 PHE CB . 52522 1 1274 . 1 . 1 174 174 PHE N N 15 124.993 0.01 . . . . . . . 323 PHE N . 52522 1 1275 . 1 . 1 175 175 SER H H 1 7.491 0.01 . . . . . . . 324 SER H . 52522 1 1276 . 1 . 1 175 175 SER HA H 1 4.368 0.00 . . . . . . . 324 SER HA . 52522 1 1277 . 1 . 1 175 175 SER C C 13 173.770 0.00 . . . . . . . 324 SER C . 52522 1 1278 . 1 . 1 175 175 SER CA C 13 55.444 0.02 . . . . . . . 324 SER CA . 52522 1 1279 . 1 . 1 175 175 SER CB C 13 63.276 0.00 . . . . . . . 324 SER CB . 52522 1 1280 . 1 . 1 175 175 SER N N 15 122.770 0.03 . . . . . . . 324 SER N . 52522 1 1281 . 1 . 1 176 176 LEU H H 1 8.532 0.00 . . . . . . . 325 LEU H . 52522 1 1282 . 1 . 1 176 176 LEU HB2 H 1 1.491 0.00 . . . . . . . 325 LEU HB2 . 52522 1 1283 . 1 . 1 176 176 LEU HB3 H 1 1.336 0.00 . . . . . . . 325 LEU HB3 . 52522 1 1284 . 1 . 1 176 176 LEU HD11 H 1 0.588 0.01 . . . . . . . 325 LEU HD1 . 52522 1 1285 . 1 . 1 176 176 LEU HD12 H 1 0.588 0.01 . . . . . . . 325 LEU HD1 . 52522 1 1286 . 1 . 1 176 176 LEU HD13 H 1 0.588 0.01 . . . . . . . 325 LEU HD1 . 52522 1 1287 . 1 . 1 176 176 LEU HD21 H 1 0.338 0.00 . . . . . . . 325 LEU HD2 . 52522 1 1288 . 1 . 1 176 176 LEU HD22 H 1 0.338 0.00 . . . . . . . 325 LEU HD2 . 52522 1 1289 . 1 . 1 176 176 LEU HD23 H 1 0.338 0.00 . . . . . . . 325 LEU HD2 . 52522 1 1290 . 1 . 1 176 176 LEU C C 13 178.479 0.00 . . . . . . . 325 LEU C . 52522 1 1291 . 1 . 1 176 176 LEU CA C 13 57.433 0.03 . . . . . . . 325 LEU CA . 52522 1 1292 . 1 . 1 176 176 LEU CD1 C 13 25.438 0.02 . . . . . . . 325 LEU CD1 . 52522 1 1293 . 1 . 1 176 176 LEU CD2 C 13 22.296 0.03 . . . . . . . 325 LEU CD2 . 52522 1 1294 . 1 . 1 176 176 LEU N N 15 131.838 0.01 . . . . . . . 325 LEU N . 52522 1 1295 . 1 . 1 177 177 SER H H 1 9.191 0.01 . . . . . . . 326 SER H . 52522 1 1296 . 1 . 1 177 177 SER C C 13 176.666 0.00 . . . . . . . 326 SER C . 52522 1 1297 . 1 . 1 177 177 SER CA C 13 61.714 0.01 . . . . . . . 326 SER CA . 52522 1 1298 . 1 . 1 177 177 SER CB C 13 61.059 0.00 . . . . . . . 326 SER CB . 52522 1 1299 . 1 . 1 177 177 SER N N 15 113.944 0.03 . . . . . . . 326 SER N . 52522 1 1300 . 1 . 1 178 178 GLN H H 1 7.335 0.00 . . . . . . . 327 GLN H . 52522 1 1301 . 1 . 1 178 178 GLN HA H 1 3.664 0.00 . . . . . . . 327 GLN HA . 52522 1 1302 . 1 . 1 178 178 GLN C C 13 178.283 0.04 . . . . . . . 327 GLN C . 52522 1 1303 . 1 . 1 178 178 GLN CA C 13 58.513 0.01 . . . . . . . 327 GLN CA . 52522 1 1304 . 1 . 1 178 178 GLN N N 15 120.988 0.01 . . . . . . . 327 GLN N . 52522 1 1305 . 1 . 1 179 179 GLU H H 1 7.516 0.01 . . . . . . . 328 GLU H . 52522 1 1306 . 1 . 1 179 179 GLU C C 13 178.427 0.05 . . . . . . . 328 GLU C . 52522 1 1307 . 1 . 1 179 179 GLU CA C 13 58.675 0.03 . . . . . . . 328 GLU CA . 52522 1 1308 . 1 . 1 179 179 GLU N N 15 122.976 0.02 . . . . . . . 328 GLU N . 52522 1 1309 . 1 . 1 180 180 VAL H H 1 8.073 0.00 . . . . . . . 329 VAL H . 52522 1 1310 . 1 . 1 180 180 VAL HA H 1 3.311 0.00 . . . . . . . 329 VAL HA . 52522 1 1311 . 1 . 1 180 180 VAL HB H 1 1.666 0.00 . . . . . . . 329 VAL HB . 52522 1 1312 . 1 . 1 180 180 VAL HG11 H 1 0.608 0.00 . . . . . . . 329 VAL HG1 . 52522 1 1313 . 1 . 1 180 180 VAL HG12 H 1 0.608 0.00 . . . . . . . 329 VAL HG1 . 52522 1 1314 . 1 . 1 180 180 VAL HG13 H 1 0.608 0.00 . . . . . . . 329 VAL HG1 . 52522 1 1315 . 1 . 1 180 180 VAL HG21 H 1 0.371 0.00 . . . . . . . 329 VAL HG2 . 52522 1 1316 . 1 . 1 180 180 VAL HG22 H 1 0.371 0.00 . . . . . . . 329 VAL HG2 . 52522 1 1317 . 1 . 1 180 180 VAL HG23 H 1 0.371 0.00 . . . . . . . 329 VAL HG2 . 52522 1 1318 . 1 . 1 180 180 VAL C C 13 178.598 0.00 . . . . . . . 329 VAL C . 52522 1 1319 . 1 . 1 180 180 VAL CA C 13 66.926 0.03 . . . . . . . 329 VAL CA . 52522 1 1320 . 1 . 1 180 180 VAL CG1 C 13 22.597 0.01 . . . . . . . 329 VAL CG1 . 52522 1 1321 . 1 . 1 180 180 VAL CG2 C 13 22.469 0.01 . . . . . . . 329 VAL CG2 . 52522 1 1322 . 1 . 1 180 180 VAL N N 15 119.181 0.03 . . . . . . . 329 VAL N . 52522 1 1323 . 1 . 1 181 181 LEU H H 1 8.323 0.00 . . . . . . . 330 LEU H . 52522 1 1324 . 1 . 1 181 181 LEU HD11 H 1 0.438 0.00 . . . . . . . 330 LEU HD1 . 52522 1 1325 . 1 . 1 181 181 LEU HD12 H 1 0.438 0.00 . . . . . . . 330 LEU HD1 . 52522 1 1326 . 1 . 1 181 181 LEU HD13 H 1 0.438 0.00 . . . . . . . 330 LEU HD1 . 52522 1 1327 . 1 . 1 181 181 LEU HD21 H 1 0.480 0.00 . . . . . . . 330 LEU HD2 . 52522 1 1328 . 1 . 1 181 181 LEU HD22 H 1 0.480 0.00 . . . . . . . 330 LEU HD2 . 52522 1 1329 . 1 . 1 181 181 LEU HD23 H 1 0.480 0.00 . . . . . . . 330 LEU HD2 . 52522 1 1330 . 1 . 1 181 181 LEU C C 13 177.969 0.00 . . . . . . . 330 LEU C . 52522 1 1331 . 1 . 1 181 181 LEU CA C 13 58.297 0.03 . . . . . . . 330 LEU CA . 52522 1 1332 . 1 . 1 181 181 LEU CB C 13 41.637 0.00 . . . . . . . 330 LEU CB . 52522 1 1333 . 1 . 1 181 181 LEU CD1 C 13 24.883 0.00 . . . . . . . 330 LEU CD1 . 52522 1 1334 . 1 . 1 181 181 LEU CD2 C 13 23.869 0.02 . . . . . . . 330 LEU CD2 . 52522 1 1335 . 1 . 1 181 181 LEU N N 15 120.003 0.03 . . . . . . . 330 LEU N . 52522 1 1336 . 1 . 1 182 182 ARG H H 1 7.657 0.00 . . . . . . . 331 ARG H . 52522 1 1337 . 1 . 1 182 182 ARG C C 13 179.197 0.06 . . . . . . . 331 ARG C . 52522 1 1338 . 1 . 1 182 182 ARG CA C 13 59.772 0.00 . . . . . . . 331 ARG CA . 52522 1 1339 . 1 . 1 182 182 ARG CB C 13 29.866 0.00 . . . . . . . 331 ARG CB . 52522 1 1340 . 1 . 1 182 182 ARG N N 15 119.059 0.01 . . . . . . . 331 ARG N . 52522 1 1341 . 1 . 1 183 183 HIS H H 1 7.226 0.00 . . . . . . . 332 HIS H . 52522 1 1342 . 1 . 1 183 183 HIS HB2 H 1 3.117 0.00 . . . . . . . 332 HIS HB2 . 52522 1 1343 . 1 . 1 183 183 HIS HB3 H 1 3.007 0.00 . . . . . . . 332 HIS HB3 . 52522 1 1344 . 1 . 1 183 183 HIS C C 13 178.264 0.00 . . . . . . . 332 HIS C . 52522 1 1345 . 1 . 1 183 183 HIS CA C 13 60.054 0.00 . . . . . . . 332 HIS CA . 52522 1 1346 . 1 . 1 183 183 HIS N N 15 117.910 0.02 . . . . . . . 332 HIS N . 52522 1 1347 . 1 . 1 184 184 LEU H H 1 8.292 0.00 . . . . . . . 333 LEU H . 52522 1 1348 . 1 . 1 184 184 LEU C C 13 179.856 0.00 . . . . . . . 333 LEU C . 52522 1 1349 . 1 . 1 184 184 LEU CA C 13 58.152 0.00 . . . . . . . 333 LEU CA . 52522 1 1350 . 1 . 1 185 185 ARG H H 1 8.195 0.00 . . . . . . . 334 ARG H . 52522 1 1351 . 1 . 1 185 185 ARG C C 13 177.602 0.00 . . . . . . . 334 ARG C . 52522 1 1352 . 1 . 1 185 185 ARG CA C 13 58.408 0.02 . . . . . . . 334 ARG CA . 52522 1 1353 . 1 . 1 185 185 ARG CB C 13 30.174 0.00 . . . . . . . 334 ARG CB . 52522 1 1354 . 1 . 1 185 185 ARG N N 15 117.272 0.03 . . . . . . . 334 ARG N . 52522 1 1355 . 1 . 1 186 186 GLN H H 1 7.366 0.00 . . . . . . . 335 GLN H . 52522 1 1356 . 1 . 1 186 186 GLN C C 13 176.861 0.02 . . . . . . . 335 GLN C . 52522 1 1357 . 1 . 1 186 186 GLN CA C 13 56.884 0.07 . . . . . . . 335 GLN CA . 52522 1 1358 . 1 . 1 186 186 GLN CB C 13 28.790 0.00 . . . . . . . 335 GLN CB . 52522 1 1359 . 1 . 1 186 186 GLN N N 15 118.846 0.03 . . . . . . . 335 GLN N . 52522 1 1360 . 1 . 1 187 187 GLU H H 1 7.671 0.00 . . . . . . . 336 GLU H . 52522 1 1361 . 1 . 1 187 187 GLU C C 13 177.023 0.04 . . . . . . . 336 GLU C . 52522 1 1362 . 1 . 1 187 187 GLU CA C 13 57.555 0.02 . . . . . . . 336 GLU CA . 52522 1 1363 . 1 . 1 187 187 GLU CB C 13 30.230 0.00 . . . . . . . 336 GLU CB . 52522 1 1364 . 1 . 1 187 187 GLU N N 15 120.209 0.02 . . . . . . . 336 GLU N . 52522 1 1365 . 1 . 1 188 188 GLU H H 1 8.033 0.00 . . . . . . . 337 GLU H . 52522 1 1366 . 1 . 1 188 188 GLU C C 13 176.417 0.01 . . . . . . . 337 GLU C . 52522 1 1367 . 1 . 1 188 188 GLU CA C 13 56.859 0.03 . . . . . . . 337 GLU CA . 52522 1 1368 . 1 . 1 188 188 GLU CB C 13 30.181 0.00 . . . . . . . 337 GLU CB . 52522 1 1369 . 1 . 1 188 188 GLU N N 15 121.276 0.01 . . . . . . . 337 GLU N . 52522 1 1370 . 1 . 1 189 189 LYS H H 1 7.966 0.00 . . . . . . . 338 LYS H . 52522 1 1371 . 1 . 1 189 189 LYS C C 13 176.314 0.02 . . . . . . . 338 LYS C . 52522 1 1372 . 1 . 1 189 189 LYS CA C 13 56.220 0.05 . . . . . . . 338 LYS CA . 52522 1 1373 . 1 . 1 189 189 LYS CB C 13 33.252 0.00 . . . . . . . 338 LYS CB . 52522 1 1374 . 1 . 1 189 189 LYS N N 15 122.044 0.01 . . . . . . . 338 LYS N . 52522 1 1375 . 1 . 1 190 190 GLU H H 1 8.197 0.00 . . . . . . . 339 GLU H . 52522 1 1376 . 1 . 1 190 190 GLU C C 13 176.177 0.01 . . . . . . . 339 GLU C . 52522 1 1377 . 1 . 1 190 190 GLU CA C 13 56.478 0.03 . . . . . . . 339 GLU CA . 52522 1 1378 . 1 . 1 190 190 GLU CB C 13 30.530 0.00 . . . . . . . 339 GLU CB . 52522 1 1379 . 1 . 1 190 190 GLU N N 15 122.806 0.03 . . . . . . . 339 GLU N . 52522 1 1380 . 1 . 1 191 191 GLU H H 1 8.235 0.00 . . . . . . . 340 GLU H . 52522 1 1381 . 1 . 1 191 191 GLU C C 13 175.404 0.01 . . . . . . . 340 GLU C . 52522 1 1382 . 1 . 1 191 191 GLU CA C 13 56.475 0.01 . . . . . . . 340 GLU CA . 52522 1 1383 . 1 . 1 191 191 GLU CB C 13 30.392 0.00 . . . . . . . 340 GLU CB . 52522 1 1384 . 1 . 1 191 191 GLU N N 15 123.584 0.02 . . . . . . . 340 GLU N . 52522 1 1385 . 1 . 1 192 192 VAL H H 1 7.614 0.00 . . . . . . . 341 VAL H . 52522 1 1386 . 1 . 1 192 192 VAL HG11 H 1 0.778 0.00 . . . . . . . 341 VAL HG1# . 52522 1 1387 . 1 . 1 192 192 VAL HG12 H 1 0.778 0.00 . . . . . . . 341 VAL HG1# . 52522 1 1388 . 1 . 1 192 192 VAL HG13 H 1 0.778 0.00 . . . . . . . 341 VAL HG1# . 52522 1 1389 . 1 . 1 192 192 VAL HG21 H 1 0.778 0.00 . . . . . . . 341 VAL HG2# . 52522 1 1390 . 1 . 1 192 192 VAL HG22 H 1 0.778 0.00 . . . . . . . 341 VAL HG2# . 52522 1 1391 . 1 . 1 192 192 VAL HG23 H 1 0.778 0.00 . . . . . . . 341 VAL HG2# . 52522 1 1392 . 1 . 1 192 192 VAL C C 13 180.898 0.00 . . . . . . . 341 VAL C . 52522 1 1393 . 1 . 1 192 192 VAL CA C 13 63.578 0.00 . . . . . . . 341 VAL CA . 52522 1 1394 . 1 . 1 192 192 VAL CG1 C 13 20.148 0.02 . . . . . . . 341 VAL CG1 . 52522 1 1395 . 1 . 1 192 192 VAL CG2 C 13 20.148 0.02 . . . . . . . 341 VAL CG2 . 52522 1 1396 . 1 . 1 192 192 VAL N N 15 126.041 0.01 . . . . . . . 341 VAL N . 52522 1 stop_ save_