data_50471 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50471 _Entry.Title ; Backbone 1H, 15N, and 13C Chemical Shift Assignments for the Apo-State of Kemp Eliminase HG3.17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-18 _Entry.Accession_date 2020-09-18 _Entry.Last_release_date 2020-09-18 _Entry.Original_release_date 2020-09-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Renee Otten . . . 0000-0001-7342-6131 50471 2 Ricardo Padua . A.P. . . 50471 3 'H. Adrian' Bunzel . . . . 50471 4 Vy Nguyen . . . . 50471 5 Warintra Pitsawong . . . . 50471 6 MacKenzie Patterson . . . . 50471 7 Shuo Sui . . . . 50471 8 Sarah Perry . L. . . 50471 9 Aina Cohen . E. . . 50471 10 Donald Hilvert . . . . 50471 11 Dorothee Kern . . . . 50471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 804 50471 '15N chemical shifts' 253 50471 '1H chemical shifts' 253 50471 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-12-28 . original BMRB . 50471 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50471 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33214289 _Citation.DOI 10.1126/science.abd3623 _Citation.Full_citation . _Citation.Title ; How directed evolution reshapes energy landscapes to boost catalysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 370 _Citation.Journal_issue 6523 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 1442 _Citation.Page_last 1446 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Renee Otten . . . . 50471 1 2 Ricardo Padua . A.P. . . 50471 1 3 'H. Adrian' Bunzel . . . . 50471 1 4 Vy Nguyen . . . . 50471 1 5 Warintra Pitsawong . . . . 50471 1 6 MacKenzie Patterson . . . . 50471 1 7 Shuo Sui . . . . 50471 1 8 Sarah Perry . L. . . 50471 1 9 Aina Cohen . E. . . 50471 1 10 Donald Hilvert . . . . 50471 1 11 Dorothee Kern . . . . 50471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50471 _Assembly.ID 1 _Assembly.Name HG3.17 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _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 'Kemp eliminase - major state' 1 $entity_1 . . yes native yes no . . . 50471 1 2 'Kemp eliminase - minor state' 1 $entity_1 . . no native yes no . . 'populated ~5%, not visible in 3D experiments' 50471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50471 _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 ; MAEAAQSIDQLIKARGKVYF GVATDQNRLTTGKNAAIIKA DFGMVWPEESMQWDATEPSQ GNFNFAGADYLVNWAQQNGK LIGAGCLVWHNFLPSWVSSI TDKNTLINVMKNHITTLMTR YKGKIRTWDVVGEAFNEDGS LRQNVFLNVIGEDYIPIAFQ TARAADPNAKLYIMDYNLDS ASYPKTQAIVNRVKQWRAAG VPIDGIGSQMHLSAGQGAGV LQALPLLASAGTPEVSILML DVAGASPTDYVNVVNACLNV QSCVGITVMGVADPDSAFAS STPLLFDGNFNPKPAYNAIV QNLQQGSIEGRGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 318 _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 . MET . 50471 1 2 . ALA . 50471 1 3 . GLU . 50471 1 4 . ALA . 50471 1 5 . ALA . 50471 1 6 . GLN . 50471 1 7 . SER . 50471 1 8 . ILE . 50471 1 9 . ASP . 50471 1 10 . GLN . 50471 1 11 . LEU . 50471 1 12 . ILE . 50471 1 13 . LYS . 50471 1 14 . ALA . 50471 1 15 . ARG . 50471 1 16 . GLY . 50471 1 17 . LYS . 50471 1 18 . VAL . 50471 1 19 . TYR . 50471 1 20 . PHE . 50471 1 21 . GLY . 50471 1 22 . VAL . 50471 1 23 . ALA . 50471 1 24 . THR . 50471 1 25 . ASP . 50471 1 26 . GLN . 50471 1 27 . ASN . 50471 1 28 . ARG . 50471 1 29 . LEU . 50471 1 30 . THR . 50471 1 31 . THR . 50471 1 32 . GLY . 50471 1 33 . LYS . 50471 1 34 . ASN . 50471 1 35 . ALA . 50471 1 36 . ALA . 50471 1 37 . ILE . 50471 1 38 . ILE . 50471 1 39 . LYS . 50471 1 40 . ALA . 50471 1 41 . ASP . 50471 1 42 . PHE . 50471 1 43 . GLY . 50471 1 44 . MET . 50471 1 45 . VAL . 50471 1 46 . TRP . 50471 1 47 . PRO . 50471 1 48 . GLU . 50471 1 49 . GLU . 50471 1 50 . SER . 50471 1 51 . MET . 50471 1 52 . GLN . 50471 1 53 . TRP . 50471 1 54 . ASP . 50471 1 55 . ALA . 50471 1 56 . THR . 50471 1 57 . GLU . 50471 1 58 . PRO . 50471 1 59 . SER . 50471 1 60 . GLN . 50471 1 61 . GLY . 50471 1 62 . ASN . 50471 1 63 . PHE . 50471 1 64 . ASN . 50471 1 65 . PHE . 50471 1 66 . ALA . 50471 1 67 . GLY . 50471 1 68 . ALA . 50471 1 69 . ASP . 50471 1 70 . TYR . 50471 1 71 . LEU . 50471 1 72 . VAL . 50471 1 73 . ASN . 50471 1 74 . TRP . 50471 1 75 . ALA . 50471 1 76 . GLN . 50471 1 77 . GLN . 50471 1 78 . ASN . 50471 1 79 . GLY . 50471 1 80 . LYS . 50471 1 81 . LEU . 50471 1 82 . ILE . 50471 1 83 . GLY . 50471 1 84 . ALA . 50471 1 85 . GLY . 50471 1 86 . CYS . 50471 1 87 . LEU . 50471 1 88 . VAL . 50471 1 89 . TRP . 50471 1 90 . HIS . 50471 1 91 . ASN . 50471 1 92 . PHE . 50471 1 93 . LEU . 50471 1 94 . PRO . 50471 1 95 . SER . 50471 1 96 . TRP . 50471 1 97 . VAL . 50471 1 98 . SER . 50471 1 99 . SER . 50471 1 100 . ILE . 50471 1 101 . THR . 50471 1 102 . ASP . 50471 1 103 . LYS . 50471 1 104 . ASN . 50471 1 105 . THR . 50471 1 106 . LEU . 50471 1 107 . ILE . 50471 1 108 . ASN . 50471 1 109 . VAL . 50471 1 110 . MET . 50471 1 111 . LYS . 50471 1 112 . ASN . 50471 1 113 . HIS . 50471 1 114 . ILE . 50471 1 115 . THR . 50471 1 116 . THR . 50471 1 117 . LEU . 50471 1 118 . MET . 50471 1 119 . THR . 50471 1 120 . ARG . 50471 1 121 . TYR . 50471 1 122 . LYS . 50471 1 123 . GLY . 50471 1 124 . LYS . 50471 1 125 . ILE . 50471 1 126 . ARG . 50471 1 127 . THR . 50471 1 128 . TRP . 50471 1 129 . ASP . 50471 1 130 . VAL . 50471 1 131 . VAL . 50471 1 132 . GLY . 50471 1 133 . GLU . 50471 1 134 . ALA . 50471 1 135 . PHE . 50471 1 136 . ASN . 50471 1 137 . GLU . 50471 1 138 . ASP . 50471 1 139 . GLY . 50471 1 140 . SER . 50471 1 141 . LEU . 50471 1 142 . ARG . 50471 1 143 . GLN . 50471 1 144 . ASN . 50471 1 145 . VAL . 50471 1 146 . PHE . 50471 1 147 . LEU . 50471 1 148 . ASN . 50471 1 149 . VAL . 50471 1 150 . ILE . 50471 1 151 . GLY . 50471 1 152 . GLU . 50471 1 153 . ASP . 50471 1 154 . TYR . 50471 1 155 . ILE . 50471 1 156 . PRO . 50471 1 157 . ILE . 50471 1 158 . ALA . 50471 1 159 . PHE . 50471 1 160 . GLN . 50471 1 161 . THR . 50471 1 162 . ALA . 50471 1 163 . ARG . 50471 1 164 . ALA . 50471 1 165 . ALA . 50471 1 166 . ASP . 50471 1 167 . PRO . 50471 1 168 . ASN . 50471 1 169 . ALA . 50471 1 170 . LYS . 50471 1 171 . LEU . 50471 1 172 . TYR . 50471 1 173 . ILE . 50471 1 174 . MET . 50471 1 175 . ASP . 50471 1 176 . TYR . 50471 1 177 . ASN . 50471 1 178 . LEU . 50471 1 179 . ASP . 50471 1 180 . SER . 50471 1 181 . ALA . 50471 1 182 . SER . 50471 1 183 . TYR . 50471 1 184 . PRO . 50471 1 185 . LYS . 50471 1 186 . THR . 50471 1 187 . GLN . 50471 1 188 . ALA . 50471 1 189 . ILE . 50471 1 190 . VAL . 50471 1 191 . ASN . 50471 1 192 . ARG . 50471 1 193 . VAL . 50471 1 194 . LYS . 50471 1 195 . GLN . 50471 1 196 . TRP . 50471 1 197 . ARG . 50471 1 198 . ALA . 50471 1 199 . ALA . 50471 1 200 . GLY . 50471 1 201 . VAL . 50471 1 202 . PRO . 50471 1 203 . ILE . 50471 1 204 . ASP . 50471 1 205 . GLY . 50471 1 206 . ILE . 50471 1 207 . GLY . 50471 1 208 . SER . 50471 1 209 . GLN . 50471 1 210 . MET . 50471 1 211 . HIS . 50471 1 212 . LEU . 50471 1 213 . SER . 50471 1 214 . ALA . 50471 1 215 . GLY . 50471 1 216 . GLN . 50471 1 217 . GLY . 50471 1 218 . ALA . 50471 1 219 . GLY . 50471 1 220 . VAL . 50471 1 221 . LEU . 50471 1 222 . GLN . 50471 1 223 . ALA . 50471 1 224 . LEU . 50471 1 225 . PRO . 50471 1 226 . LEU . 50471 1 227 . LEU . 50471 1 228 . ALA . 50471 1 229 . SER . 50471 1 230 . ALA . 50471 1 231 . GLY . 50471 1 232 . THR . 50471 1 233 . PRO . 50471 1 234 . GLU . 50471 1 235 . VAL . 50471 1 236 . SER . 50471 1 237 . ILE . 50471 1 238 . LEU . 50471 1 239 . MET . 50471 1 240 . LEU . 50471 1 241 . ASP . 50471 1 242 . VAL . 50471 1 243 . ALA . 50471 1 244 . GLY . 50471 1 245 . ALA . 50471 1 246 . SER . 50471 1 247 . PRO . 50471 1 248 . THR . 50471 1 249 . ASP . 50471 1 250 . TYR . 50471 1 251 . VAL . 50471 1 252 . ASN . 50471 1 253 . VAL . 50471 1 254 . VAL . 50471 1 255 . ASN . 50471 1 256 . ALA . 50471 1 257 . CYS . 50471 1 258 . LEU . 50471 1 259 . ASN . 50471 1 260 . VAL . 50471 1 261 . GLN . 50471 1 262 . SER . 50471 1 263 . CYS . 50471 1 264 . VAL . 50471 1 265 . GLY . 50471 1 266 . ILE . 50471 1 267 . THR . 50471 1 268 . VAL . 50471 1 269 . MET . 50471 1 270 . GLY . 50471 1 271 . VAL . 50471 1 272 . ALA . 50471 1 273 . ASP . 50471 1 274 . PRO . 50471 1 275 . ASP . 50471 1 276 . SER . 50471 1 277 . ALA . 50471 1 278 . PHE . 50471 1 279 . ALA . 50471 1 280 . SER . 50471 1 281 . SER . 50471 1 282 . THR . 50471 1 283 . PRO . 50471 1 284 . LEU . 50471 1 285 . LEU . 50471 1 286 . PHE . 50471 1 287 . ASP . 50471 1 288 . GLY . 50471 1 289 . ASN . 50471 1 290 . PHE . 50471 1 291 . ASN . 50471 1 292 . PRO . 50471 1 293 . LYS . 50471 1 294 . PRO . 50471 1 295 . ALA . 50471 1 296 . TYR . 50471 1 297 . ASN . 50471 1 298 . ALA . 50471 1 299 . ILE . 50471 1 300 . VAL . 50471 1 301 . GLN . 50471 1 302 . ASN . 50471 1 303 . LEU . 50471 1 304 . GLN . 50471 1 305 . GLN . 50471 1 306 . GLY . 50471 1 307 . SER . 50471 1 308 . ILE . 50471 1 309 . GLU . 50471 1 310 . GLY . 50471 1 311 . ARG . 50471 1 312 . GLY . 50471 1 313 . HIS . 50471 1 314 . HIS . 50471 1 315 . HIS . 50471 1 316 . HIS . 50471 1 317 . HIS . 50471 1 318 . HIS . 50471 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50471 1 . ALA 2 2 50471 1 . GLU 3 3 50471 1 . ALA 4 4 50471 1 . ALA 5 5 50471 1 . GLN 6 6 50471 1 . SER 7 7 50471 1 . ILE 8 8 50471 1 . ASP 9 9 50471 1 . GLN 10 10 50471 1 . LEU 11 11 50471 1 . ILE 12 12 50471 1 . LYS 13 13 50471 1 . ALA 14 14 50471 1 . ARG 15 15 50471 1 . GLY 16 16 50471 1 . LYS 17 17 50471 1 . VAL 18 18 50471 1 . TYR 19 19 50471 1 . PHE 20 20 50471 1 . GLY 21 21 50471 1 . VAL 22 22 50471 1 . ALA 23 23 50471 1 . THR 24 24 50471 1 . ASP 25 25 50471 1 . GLN 26 26 50471 1 . ASN 27 27 50471 1 . ARG 28 28 50471 1 . LEU 29 29 50471 1 . THR 30 30 50471 1 . THR 31 31 50471 1 . GLY 32 32 50471 1 . LYS 33 33 50471 1 . ASN 34 34 50471 1 . ALA 35 35 50471 1 . ALA 36 36 50471 1 . ILE 37 37 50471 1 . ILE 38 38 50471 1 . LYS 39 39 50471 1 . ALA 40 40 50471 1 . ASP 41 41 50471 1 . PHE 42 42 50471 1 . GLY 43 43 50471 1 . MET 44 44 50471 1 . VAL 45 45 50471 1 . TRP 46 46 50471 1 . PRO 47 47 50471 1 . GLU 48 48 50471 1 . GLU 49 49 50471 1 . SER 50 50 50471 1 . MET 51 51 50471 1 . GLN 52 52 50471 1 . TRP 53 53 50471 1 . ASP 54 54 50471 1 . ALA 55 55 50471 1 . THR 56 56 50471 1 . GLU 57 57 50471 1 . PRO 58 58 50471 1 . SER 59 59 50471 1 . GLN 60 60 50471 1 . GLY 61 61 50471 1 . ASN 62 62 50471 1 . PHE 63 63 50471 1 . ASN 64 64 50471 1 . PHE 65 65 50471 1 . ALA 66 66 50471 1 . GLY 67 67 50471 1 . ALA 68 68 50471 1 . ASP 69 69 50471 1 . TYR 70 70 50471 1 . LEU 71 71 50471 1 . VAL 72 72 50471 1 . ASN 73 73 50471 1 . TRP 74 74 50471 1 . ALA 75 75 50471 1 . GLN 76 76 50471 1 . GLN 77 77 50471 1 . ASN 78 78 50471 1 . GLY 79 79 50471 1 . LYS 80 80 50471 1 . LEU 81 81 50471 1 . ILE 82 82 50471 1 . GLY 83 83 50471 1 . ALA 84 84 50471 1 . GLY 85 85 50471 1 . CYS 86 86 50471 1 . LEU 87 87 50471 1 . VAL 88 88 50471 1 . TRP 89 89 50471 1 . HIS 90 90 50471 1 . ASN 91 91 50471 1 . PHE 92 92 50471 1 . LEU 93 93 50471 1 . PRO 94 94 50471 1 . SER 95 95 50471 1 . TRP 96 96 50471 1 . VAL 97 97 50471 1 . SER 98 98 50471 1 . SER 99 99 50471 1 . ILE 100 100 50471 1 . THR 101 101 50471 1 . ASP 102 102 50471 1 . LYS 103 103 50471 1 . ASN 104 104 50471 1 . THR 105 105 50471 1 . LEU 106 106 50471 1 . ILE 107 107 50471 1 . ASN 108 108 50471 1 . VAL 109 109 50471 1 . MET 110 110 50471 1 . LYS 111 111 50471 1 . ASN 112 112 50471 1 . HIS 113 113 50471 1 . ILE 114 114 50471 1 . THR 115 115 50471 1 . THR 116 116 50471 1 . LEU 117 117 50471 1 . MET 118 118 50471 1 . THR 119 119 50471 1 . ARG 120 120 50471 1 . TYR 121 121 50471 1 . LYS 122 122 50471 1 . GLY 123 123 50471 1 . LYS 124 124 50471 1 . ILE 125 125 50471 1 . ARG 126 126 50471 1 . THR 127 127 50471 1 . TRP 128 128 50471 1 . ASP 129 129 50471 1 . VAL 130 130 50471 1 . VAL 131 131 50471 1 . GLY 132 132 50471 1 . GLU 133 133 50471 1 . ALA 134 134 50471 1 . PHE 135 135 50471 1 . ASN 136 136 50471 1 . GLU 137 137 50471 1 . ASP 138 138 50471 1 . GLY 139 139 50471 1 . SER 140 140 50471 1 . LEU 141 141 50471 1 . ARG 142 142 50471 1 . GLN 143 143 50471 1 . ASN 144 144 50471 1 . VAL 145 145 50471 1 . PHE 146 146 50471 1 . LEU 147 147 50471 1 . ASN 148 148 50471 1 . VAL 149 149 50471 1 . ILE 150 150 50471 1 . GLY 151 151 50471 1 . GLU 152 152 50471 1 . ASP 153 153 50471 1 . TYR 154 154 50471 1 . ILE 155 155 50471 1 . PRO 156 156 50471 1 . ILE 157 157 50471 1 . ALA 158 158 50471 1 . PHE 159 159 50471 1 . GLN 160 160 50471 1 . THR 161 161 50471 1 . ALA 162 162 50471 1 . ARG 163 163 50471 1 . ALA 164 164 50471 1 . ALA 165 165 50471 1 . ASP 166 166 50471 1 . PRO 167 167 50471 1 . ASN 168 168 50471 1 . ALA 169 169 50471 1 . LYS 170 170 50471 1 . LEU 171 171 50471 1 . TYR 172 172 50471 1 . ILE 173 173 50471 1 . MET 174 174 50471 1 . ASP 175 175 50471 1 . TYR 176 176 50471 1 . ASN 177 177 50471 1 . LEU 178 178 50471 1 . ASP 179 179 50471 1 . SER 180 180 50471 1 . ALA 181 181 50471 1 . SER 182 182 50471 1 . TYR 183 183 50471 1 . PRO 184 184 50471 1 . LYS 185 185 50471 1 . THR 186 186 50471 1 . GLN 187 187 50471 1 . ALA 188 188 50471 1 . ILE 189 189 50471 1 . VAL 190 190 50471 1 . ASN 191 191 50471 1 . ARG 192 192 50471 1 . VAL 193 193 50471 1 . LYS 194 194 50471 1 . GLN 195 195 50471 1 . TRP 196 196 50471 1 . ARG 197 197 50471 1 . ALA 198 198 50471 1 . ALA 199 199 50471 1 . GLY 200 200 50471 1 . VAL 201 201 50471 1 . PRO 202 202 50471 1 . ILE 203 203 50471 1 . ASP 204 204 50471 1 . GLY 205 205 50471 1 . ILE 206 206 50471 1 . GLY 207 207 50471 1 . SER 208 208 50471 1 . GLN 209 209 50471 1 . MET 210 210 50471 1 . HIS 211 211 50471 1 . LEU 212 212 50471 1 . SER 213 213 50471 1 . ALA 214 214 50471 1 . GLY 215 215 50471 1 . GLN 216 216 50471 1 . GLY 217 217 50471 1 . ALA 218 218 50471 1 . GLY 219 219 50471 1 . VAL 220 220 50471 1 . LEU 221 221 50471 1 . GLN 222 222 50471 1 . ALA 223 223 50471 1 . LEU 224 224 50471 1 . PRO 225 225 50471 1 . LEU 226 226 50471 1 . LEU 227 227 50471 1 . ALA 228 228 50471 1 . SER 229 229 50471 1 . ALA 230 230 50471 1 . GLY 231 231 50471 1 . THR 232 232 50471 1 . PRO 233 233 50471 1 . GLU 234 234 50471 1 . VAL 235 235 50471 1 . SER 236 236 50471 1 . ILE 237 237 50471 1 . LEU 238 238 50471 1 . MET 239 239 50471 1 . LEU 240 240 50471 1 . ASP 241 241 50471 1 . VAL 242 242 50471 1 . ALA 243 243 50471 1 . GLY 244 244 50471 1 . ALA 245 245 50471 1 . SER 246 246 50471 1 . PRO 247 247 50471 1 . THR 248 248 50471 1 . ASP 249 249 50471 1 . TYR 250 250 50471 1 . VAL 251 251 50471 1 . ASN 252 252 50471 1 . VAL 253 253 50471 1 . VAL 254 254 50471 1 . ASN 255 255 50471 1 . ALA 256 256 50471 1 . CYS 257 257 50471 1 . LEU 258 258 50471 1 . ASN 259 259 50471 1 . VAL 260 260 50471 1 . GLN 261 261 50471 1 . SER 262 262 50471 1 . CYS 263 263 50471 1 . VAL 264 264 50471 1 . GLY 265 265 50471 1 . ILE 266 266 50471 1 . THR 267 267 50471 1 . VAL 268 268 50471 1 . MET 269 269 50471 1 . GLY 270 270 50471 1 . VAL 271 271 50471 1 . ALA 272 272 50471 1 . ASP 273 273 50471 1 . PRO 274 274 50471 1 . ASP 275 275 50471 1 . SER 276 276 50471 1 . ALA 277 277 50471 1 . PHE 278 278 50471 1 . ALA 279 279 50471 1 . SER 280 280 50471 1 . SER 281 281 50471 1 . THR 282 282 50471 1 . PRO 283 283 50471 1 . LEU 284 284 50471 1 . LEU 285 285 50471 1 . PHE 286 286 50471 1 . ASP 287 287 50471 1 . GLY 288 288 50471 1 . ASN 289 289 50471 1 . PHE 290 290 50471 1 . ASN 291 291 50471 1 . PRO 292 292 50471 1 . LYS 293 293 50471 1 . PRO 294 294 50471 1 . ALA 295 295 50471 1 . TYR 296 296 50471 1 . ASN 297 297 50471 1 . ALA 298 298 50471 1 . ILE 299 299 50471 1 . VAL 300 300 50471 1 . GLN 301 301 50471 1 . ASN 302 302 50471 1 . LEU 303 303 50471 1 . GLN 304 304 50471 1 . GLN 305 305 50471 1 . GLY 306 306 50471 1 . SER 307 307 50471 1 . ILE 308 308 50471 1 . GLU 309 309 50471 1 . GLY 310 310 50471 1 . ARG 311 311 50471 1 . GLY 312 312 50471 1 . HIS 313 313 50471 1 . HIS 314 314 50471 1 . HIS 315 315 50471 1 . HIS 316 316 50471 1 . HIS 317 317 50471 1 . HIS 318 318 50471 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50471 _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 . 5087 organism . 'Thermoascus aurantiacus' 'Thermoascus aurantiacus' . . Eukaryota Fungi Thermoascus aurantiacus . . . . . . . . . . . XYNA . 50471 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 50471 _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 BL21(DE3) . . plasmid . . pET-11b . . . 50471 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50471 _Sample.ID 1 _Sample.Name 'Kemp HG3.17' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 HEPES 'natural abundance' . . . . . . 100 . . mM . . . . 50471 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50471 1 3 HG3.17 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 50471 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50471 _Sample.ID 2 _Sample.Name 'Kemp HG3.17 back-exchange' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'A mild unfolding-refolding step using guanidine hydrochloride was used to promote back-exchange of amide positions.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HEPES 'natural abundance' . . . . . . 100 . . mM . . . . 50471 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50471 2 3 HG3.17 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 50471 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50471 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample for assignment' _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' 0.05 . M 50471 1 pH 7.0 . pH 50471 1 pressure 1 . atm 50471 1 temperature 300.15 . K 50471 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50471 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50471 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50471 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50471 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50471 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Agilent _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50471 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50471 _Experiment_list.ID 1 _Experiment_list.Details 'A TROSY-version of the listed experiments were used (except for the 15N-separated NOESY).' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 6 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 7 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50471 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50471 1 9 '3D HN(COCACB)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50471 1 10 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 12 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 13 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 14 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 1 15 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50471 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 50471 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name assignment _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 4.758 internal indirect 0.251449530 . . . . . 50471 1 H 1 water protons . . . . ppm 4.758 internal direct 1.000000000 . . . . . 50471 1 N 15 water protons . . . . ppm 4.758 internal indirect 0.101329118 . . . . . 50471 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 50471 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Kemp_HG317 _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 ; Chemical shifts not corrected for 2H isotope shifts (13C) or TROSY (1HN, 15N) effect. The two data sets recorded at 800 MHz were shifted (15N: 0.2 ppm, 1HN: -0.02 ppm) to compensate for the difference caused by the TROSY effect and to alignthe cross peaks positions with the data on the 600 MHz. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 50471 1 2 '3D HN(CO)CA' . . . 50471 1 3 '3D HNCACB' . . . 50471 1 4 '3D HN(CO)CACB' . . . 50471 1 5 '3D HNCO' . . . 50471 1 6 '2D 1H-15N TROSY' . . . 50471 1 7 '2D 1H-15N TROSY' . . . 50471 1 8 '3D HNCACB' . . . 50471 1 9 '3D HN(COCACB)' . . . 50471 1 11 '3D HN(CA)CO' . . . 50471 1 12 '2D 1H-15N TROSY' . . . 50471 1 13 '3D HNCA' . . . 50471 1 14 '3D HNCO' . . . 50471 1 15 '3D HN(CA)CO' . . . 50471 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 2 $software_2 . . 50471 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLU C C 13 176.077 0.02 . . . . . . . 3 GLU C . 50471 1 2 . 1 . 1 3 3 GLU CA C 13 55.887 0.01 . . . . . . . 3 GLU CA . 50471 1 3 . 1 . 1 3 3 GLU CB C 13 29.511 0.02 . . . . . . . 3 GLU CB . 50471 1 4 . 1 . 1 4 4 ALA H H 1 8.435 0.01 . . . . . . . 4 ALA H . 50471 1 5 . 1 . 1 4 4 ALA C C 13 177.640 0.04 . . . . . . . 4 ALA C . 50471 1 6 . 1 . 1 4 4 ALA CA C 13 51.839 0.01 . . . . . . . 4 ALA CA . 50471 1 7 . 1 . 1 4 4 ALA CB C 13 18.542 0.04 . . . . . . . 4 ALA CB . 50471 1 8 . 1 . 1 4 4 ALA N N 15 126.080 0.04 . . . . . . . 4 ALA N . 50471 1 9 . 1 . 1 5 5 ALA H H 1 8.358 0.02 . . . . . . . 5 ALA H . 50471 1 10 . 1 . 1 5 5 ALA C C 13 177.944 0.06 . . . . . . . 5 ALA C . 50471 1 11 . 1 . 1 5 5 ALA CA C 13 52.140 0.02 . . . . . . . 5 ALA CA . 50471 1 12 . 1 . 1 5 5 ALA CB C 13 18.353 0.05 . . . . . . . 5 ALA CB . 50471 1 13 . 1 . 1 5 5 ALA N N 15 124.802 0.07 . . . . . . . 5 ALA N . 50471 1 14 . 1 . 1 6 6 GLN H H 1 8.311 0.02 . . . . . . . 6 GLN H . 50471 1 15 . 1 . 1 6 6 GLN C C 13 175.027 0.06 . . . . . . . 6 GLN C . 50471 1 16 . 1 . 1 6 6 GLN CA C 13 54.706 0.01 . . . . . . . 6 GLN CA . 50471 1 17 . 1 . 1 6 6 GLN CB C 13 29.730 0.01 . . . . . . . 6 GLN CB . 50471 1 18 . 1 . 1 6 6 GLN N N 15 119.208 0.03 . . . . . . . 6 GLN N . 50471 1 19 . 1 . 1 7 7 SER H H 1 8.544 0.06 . . . . . . . 7 SER H . 50471 1 20 . 1 . 1 7 7 SER C C 13 175.748 0.01 . . . . . . . 7 SER C . 50471 1 21 . 1 . 1 7 7 SER CA C 13 55.666 0.04 . . . . . . . 7 SER CA . 50471 1 22 . 1 . 1 7 7 SER CB C 13 62.797 0.06 . . . . . . . 7 SER CB . 50471 1 23 . 1 . 1 7 7 SER N N 15 117.065 0.05 . . . . . . . 7 SER N . 50471 1 24 . 1 . 1 8 8 ILE H H 1 7.469 0.06 . . . . . . . 8 ILE H . 50471 1 25 . 1 . 1 8 8 ILE C C 13 176.851 0.04 . . . . . . . 8 ILE C . 50471 1 26 . 1 . 1 8 8 ILE CA C 13 65.807 0.05 . . . . . . . 8 ILE CA . 50471 1 27 . 1 . 1 8 8 ILE CB C 13 35.756 0.03 . . . . . . . 8 ILE CB . 50471 1 28 . 1 . 1 8 8 ILE N N 15 124.054 0.03 . . . . . . . 8 ILE N . 50471 1 29 . 1 . 1 9 9 ASP H H 1 7.539 0.01 . . . . . . . 9 ASP H . 50471 1 30 . 1 . 1 9 9 ASP C C 13 176.916 0.03 . . . . . . . 9 ASP C . 50471 1 31 . 1 . 1 9 9 ASP CA C 13 57.927 0.02 . . . . . . . 9 ASP CA . 50471 1 32 . 1 . 1 9 9 ASP CB C 13 43.458 0.05 . . . . . . . 9 ASP CB . 50471 1 33 . 1 . 1 9 9 ASP N N 15 121.136 0.10 . . . . . . . 9 ASP N . 50471 1 34 . 1 . 1 10 10 GLN H H 1 7.782 0.02 . . . . . . . 10 GLN H . 50471 1 35 . 1 . 1 10 10 GLN C C 13 180.057 0.02 . . . . . . . 10 GLN C . 50471 1 36 . 1 . 1 10 10 GLN CA C 13 58.853 0.02 . . . . . . . 10 GLN CA . 50471 1 37 . 1 . 1 10 10 GLN CB C 13 27.728 0.08 . . . . . . . 10 GLN CB . 50471 1 38 . 1 . 1 10 10 GLN N N 15 119.319 0.09 . . . . . . . 10 GLN N . 50471 1 39 . 1 . 1 11 11 LEU H H 1 8.100 0.01 . . . . . . . 11 LEU H . 50471 1 40 . 1 . 1 11 11 LEU C C 13 179.247 0.02 . . . . . . . 11 LEU C . 50471 1 41 . 1 . 1 11 11 LEU CA C 13 56.874 0.01 . . . . . . . 11 LEU CA . 50471 1 42 . 1 . 1 11 11 LEU CB C 13 42.322 0.03 . . . . . . . 11 LEU CB . 50471 1 43 . 1 . 1 11 11 LEU N N 15 118.743 0.10 . . . . . . . 11 LEU N . 50471 1 44 . 1 . 1 12 12 ILE H H 1 8.625 0.01 . . . . . . . 12 ILE H . 50471 1 45 . 1 . 1 12 12 ILE C C 13 178.901 0.02 . . . . . . . 12 ILE C . 50471 1 46 . 1 . 1 12 12 ILE CA C 13 65.269 0.03 . . . . . . . 12 ILE CA . 50471 1 47 . 1 . 1 12 12 ILE CB C 13 36.125 0.04 . . . . . . . 12 ILE CB . 50471 1 48 . 1 . 1 12 12 ILE N N 15 123.032 0.04 . . . . . . . 12 ILE N . 50471 1 49 . 1 . 1 13 13 LYS H H 1 7.993 0.01 . . . . . . . 13 LYS H . 50471 1 50 . 1 . 1 13 13 LYS C C 13 181.871 0.01 . . . . . . . 13 LYS C . 50471 1 51 . 1 . 1 13 13 LYS CA C 13 58.278 0.01 . . . . . . . 13 LYS CA . 50471 1 52 . 1 . 1 13 13 LYS CB C 13 32.673 0.03 . . . . . . . 13 LYS CB . 50471 1 53 . 1 . 1 13 13 LYS N N 15 126.742 0.02 . . . . . . . 13 LYS N . 50471 1 54 . 1 . 1 14 14 ALA H H 1 7.631 0.01 . . . . . . . 14 ALA H . 50471 1 55 . 1 . 1 14 14 ALA C C 13 179.069 0.02 . . . . . . . 14 ALA C . 50471 1 56 . 1 . 1 14 14 ALA CA C 13 53.899 0.02 . . . . . . . 14 ALA CA . 50471 1 57 . 1 . 1 14 14 ALA CB C 13 16.765 0.03 . . . . . . . 14 ALA CB . 50471 1 58 . 1 . 1 14 14 ALA N N 15 123.481 0.03 . . . . . . . 14 ALA N . 50471 1 59 . 1 . 1 15 15 ARG H H 1 7.040 0.01 . . . . . . . 15 ARG H . 50471 1 60 . 1 . 1 15 15 ARG C C 13 176.241 0.02 . . . . . . . 15 ARG C . 50471 1 61 . 1 . 1 15 15 ARG CA C 13 53.178 0.02 . . . . . . . 15 ARG CA . 50471 1 62 . 1 . 1 15 15 ARG CB C 13 28.095 0.01 . . . . . . . 15 ARG CB . 50471 1 63 . 1 . 1 15 15 ARG N N 15 115.130 0.03 . . . . . . . 15 ARG N . 50471 1 64 . 1 . 1 16 16 GLY H H 1 7.881 0.01 . . . . . . . 16 GLY H . 50471 1 65 . 1 . 1 16 16 GLY C C 13 174.747 0.02 . . . . . . . 16 GLY C . 50471 1 66 . 1 . 1 16 16 GLY CA C 13 44.906 0.03 . . . . . . . 16 GLY CA . 50471 1 67 . 1 . 1 16 16 GLY N N 15 107.424 0.02 . . . . . . . 16 GLY N . 50471 1 68 . 1 . 1 17 17 LYS H H 1 7.497 0.01 . . . . . . . 17 LYS H . 50471 1 69 . 1 . 1 17 17 LYS C C 13 174.734 0.01 . . . . . . . 17 LYS C . 50471 1 70 . 1 . 1 17 17 LYS CA C 13 51.579 0.01 . . . . . . . 17 LYS CA . 50471 1 71 . 1 . 1 17 17 LYS CB C 13 30.725 0.01 . . . . . . . 17 LYS CB . 50471 1 72 . 1 . 1 17 17 LYS N N 15 117.361 0.03 . . . . . . . 17 LYS N . 50471 1 73 . 1 . 1 18 18 VAL H H 1 8.461 0.00 . . . . . . . 18 VAL H . 50471 1 74 . 1 . 1 18 18 VAL C C 13 177.226 0.02 . . . . . . . 18 VAL C . 50471 1 75 . 1 . 1 18 18 VAL CA C 13 64.497 0.01 . . . . . . . 18 VAL CA . 50471 1 76 . 1 . 1 18 18 VAL CB C 13 30.785 0.02 . . . . . . . 18 VAL CB . 50471 1 77 . 1 . 1 18 18 VAL N N 15 118.517 0.02 . . . . . . . 18 VAL N . 50471 1 78 . 1 . 1 22 22 VAL C C 13 171.674 0.00 . . . . . . . 22 VAL C . 50471 1 79 . 1 . 1 22 22 VAL CA C 13 59.389 0.04 . . . . . . . 22 VAL CA . 50471 1 80 . 1 . 1 23 23 ALA H H 1 6.984 0.02 . . . . . . . 23 ALA H . 50471 1 81 . 1 . 1 23 23 ALA C C 13 176.116 0.02 . . . . . . . 23 ALA C . 50471 1 82 . 1 . 1 23 23 ALA CA C 13 50.232 0.02 . . . . . . . 23 ALA CA . 50471 1 83 . 1 . 1 23 23 ALA CB C 13 18.869 0.08 . . . . . . . 23 ALA CB . 50471 1 84 . 1 . 1 23 23 ALA N N 15 128.705 0.05 . . . . . . . 23 ALA N . 50471 1 85 . 1 . 1 24 24 THR H H 1 9.208 0.01 . . . . . . . 24 THR H . 50471 1 86 . 1 . 1 24 24 THR C C 13 171.812 0.01 . . . . . . . 24 THR C . 50471 1 87 . 1 . 1 24 24 THR CA C 13 60.754 0.01 . . . . . . . 24 THR CA . 50471 1 88 . 1 . 1 24 24 THR CB C 13 67.962 0.05 . . . . . . . 24 THR CB . 50471 1 89 . 1 . 1 24 24 THR N N 15 117.414 0.03 . . . . . . . 24 THR N . 50471 1 90 . 1 . 1 25 25 ASP H H 1 8.306 0.01 . . . . . . . 25 ASP H . 50471 1 91 . 1 . 1 25 25 ASP C C 13 177.465 0.01 . . . . . . . 25 ASP C . 50471 1 92 . 1 . 1 25 25 ASP CA C 13 54.713 0.01 . . . . . . . 25 ASP CA . 50471 1 93 . 1 . 1 25 25 ASP CB C 13 46.855 0.02 . . . . . . . 25 ASP CB . 50471 1 94 . 1 . 1 25 25 ASP N N 15 118.149 0.02 . . . . . . . 25 ASP N . 50471 1 95 . 1 . 1 26 26 GLN H H 1 9.310 0.02 . . . . . . . 26 GLN H . 50471 1 96 . 1 . 1 26 26 GLN C C 13 175.883 0.02 . . . . . . . 26 GLN C . 50471 1 97 . 1 . 1 26 26 GLN CA C 13 60.045 0.01 . . . . . . . 26 GLN CA . 50471 1 98 . 1 . 1 26 26 GLN CB C 13 27.627 0.03 . . . . . . . 26 GLN CB . 50471 1 99 . 1 . 1 26 26 GLN N N 15 120.998 0.05 . . . . . . . 26 GLN N . 50471 1 100 . 1 . 1 27 27 ASN H H 1 8.758 0.01 . . . . . . . 27 ASN H . 50471 1 101 . 1 . 1 27 27 ASN C C 13 176.832 0.01 . . . . . . . 27 ASN C . 50471 1 102 . 1 . 1 27 27 ASN CA C 13 55.631 0.01 . . . . . . . 27 ASN CA . 50471 1 103 . 1 . 1 27 27 ASN CB C 13 35.550 0.02 . . . . . . . 27 ASN CB . 50471 1 104 . 1 . 1 27 27 ASN N N 15 115.797 0.02 . . . . . . . 27 ASN N . 50471 1 105 . 1 . 1 28 28 ARG H H 1 7.498 0.01 . . . . . . . 28 ARG H . 50471 1 106 . 1 . 1 28 28 ARG C C 13 178.891 0.00 . . . . . . . 28 ARG C . 50471 1 107 . 1 . 1 28 28 ARG CA C 13 56.106 0.01 . . . . . . . 28 ARG CA . 50471 1 108 . 1 . 1 28 28 ARG CB C 13 29.015 0.02 . . . . . . . 28 ARG CB . 50471 1 109 . 1 . 1 28 28 ARG N N 15 118.009 0.03 . . . . . . . 28 ARG N . 50471 1 110 . 1 . 1 29 29 LEU H H 1 7.877 0.01 . . . . . . . 29 LEU H . 50471 1 111 . 1 . 1 29 29 LEU C C 13 178.794 0.02 . . . . . . . 29 LEU C . 50471 1 112 . 1 . 1 29 29 LEU CA C 13 57.058 0.01 . . . . . . . 29 LEU CA . 50471 1 113 . 1 . 1 29 29 LEU CB C 13 41.125 0.02 . . . . . . . 29 LEU CB . 50471 1 114 . 1 . 1 29 29 LEU N N 15 117.838 0.03 . . . . . . . 29 LEU N . 50471 1 115 . 1 . 1 30 30 THR H H 1 7.468 0.01 . . . . . . . 30 THR H . 50471 1 116 . 1 . 1 30 30 THR C C 13 174.045 0.02 . . . . . . . 30 THR C . 50471 1 117 . 1 . 1 30 30 THR CA C 13 61.127 0.01 . . . . . . . 30 THR CA . 50471 1 118 . 1 . 1 30 30 THR CB C 13 69.221 0.02 . . . . . . . 30 THR CB . 50471 1 119 . 1 . 1 30 30 THR N N 15 108.027 0.04 . . . . . . . 30 THR N . 50471 1 120 . 1 . 1 31 31 THR H H 1 7.496 0.01 . . . . . . . 31 THR H . 50471 1 121 . 1 . 1 31 31 THR C C 13 174.892 0.01 . . . . . . . 31 THR C . 50471 1 122 . 1 . 1 31 31 THR CA C 13 60.612 0.01 . . . . . . . 31 THR CA . 50471 1 123 . 1 . 1 31 31 THR CB C 13 71.321 0.01 . . . . . . . 31 THR CB . 50471 1 124 . 1 . 1 31 31 THR N N 15 114.936 0.02 . . . . . . . 31 THR N . 50471 1 125 . 1 . 1 32 32 GLY H H 1 8.724 0.01 . . . . . . . 32 GLY H . 50471 1 126 . 1 . 1 32 32 GLY C C 13 173.723 0.00 . . . . . . . 32 GLY C . 50471 1 127 . 1 . 1 32 32 GLY CA C 13 46.391 0.01 . . . . . . . 32 GLY CA . 50471 1 128 . 1 . 1 32 32 GLY N N 15 113.089 0.03 . . . . . . . 32 GLY N . 50471 1 129 . 1 . 1 33 33 LYS C C 13 175.483 0.02 . . . . . . . 33 LYS C . 50471 1 130 . 1 . 1 33 33 LYS CA C 13 54.147 0.01 . . . . . . . 33 LYS CA . 50471 1 131 . 1 . 1 33 33 LYS CB C 13 30.835 0.01 . . . . . . . 33 LYS CB . 50471 1 132 . 1 . 1 34 34 ASN H H 1 6.816 0.01 . . . . . . . 34 ASN H . 50471 1 133 . 1 . 1 34 34 ASN C C 13 176.284 0.01 . . . . . . . 34 ASN C . 50471 1 134 . 1 . 1 34 34 ASN CA C 13 57.890 0.01 . . . . . . . 34 ASN CA . 50471 1 135 . 1 . 1 34 34 ASN CB C 13 38.860 0.04 . . . . . . . 34 ASN CB . 50471 1 136 . 1 . 1 34 34 ASN N N 15 115.397 0.01 . . . . . . . 34 ASN N . 50471 1 137 . 1 . 1 35 35 ALA H H 1 9.072 0.01 . . . . . . . 35 ALA H . 50471 1 138 . 1 . 1 35 35 ALA C C 13 178.883 0.01 . . . . . . . 35 ALA C . 50471 1 139 . 1 . 1 35 35 ALA CA C 13 55.359 0.02 . . . . . . . 35 ALA CA . 50471 1 140 . 1 . 1 35 35 ALA CB C 13 16.842 0.02 . . . . . . . 35 ALA CB . 50471 1 141 . 1 . 1 35 35 ALA N N 15 119.729 0.02 . . . . . . . 35 ALA N . 50471 1 142 . 1 . 1 36 36 ALA H H 1 7.937 0.01 . . . . . . . 36 ALA H . 50471 1 143 . 1 . 1 36 36 ALA C C 13 181.559 0.02 . . . . . . . 36 ALA C . 50471 1 144 . 1 . 1 36 36 ALA CA C 13 54.753 0.02 . . . . . . . 36 ALA CA . 50471 1 145 . 1 . 1 36 36 ALA CB C 13 17.279 0.05 . . . . . . . 36 ALA CB . 50471 1 146 . 1 . 1 36 36 ALA N N 15 120.283 0.03 . . . . . . . 36 ALA N . 50471 1 147 . 1 . 1 37 37 ILE H H 1 7.859 0.01 . . . . . . . 37 ILE H . 50471 1 148 . 1 . 1 37 37 ILE C C 13 177.881 0.02 . . . . . . . 37 ILE C . 50471 1 149 . 1 . 1 37 37 ILE CA C 13 63.752 0.02 . . . . . . . 37 ILE CA . 50471 1 150 . 1 . 1 37 37 ILE CB C 13 36.793 0.02 . . . . . . . 37 ILE CB . 50471 1 151 . 1 . 1 37 37 ILE N N 15 120.928 0.02 . . . . . . . 37 ILE N . 50471 1 152 . 1 . 1 38 38 ILE H H 1 8.684 0.01 . . . . . . . 38 ILE H . 50471 1 153 . 1 . 1 38 38 ILE C C 13 178.633 0.01 . . . . . . . 38 ILE C . 50471 1 154 . 1 . 1 38 38 ILE CA C 13 66.069 0.02 . . . . . . . 38 ILE CA . 50471 1 155 . 1 . 1 38 38 ILE CB C 13 36.499 0.03 . . . . . . . 38 ILE CB . 50471 1 156 . 1 . 1 38 38 ILE N N 15 121.746 0.04 . . . . . . . 38 ILE N . 50471 1 157 . 1 . 1 39 39 LYS H H 1 8.707 0.02 . . . . . . . 39 LYS H . 50471 1 158 . 1 . 1 39 39 LYS C C 13 179.193 0.02 . . . . . . . 39 LYS C . 50471 1 159 . 1 . 1 39 39 LYS CA C 13 60.697 0.02 . . . . . . . 39 LYS CA . 50471 1 160 . 1 . 1 39 39 LYS CB C 13 31.826 0.02 . . . . . . . 39 LYS CB . 50471 1 161 . 1 . 1 39 39 LYS N N 15 116.308 0.04 . . . . . . . 39 LYS N . 50471 1 162 . 1 . 1 40 40 ALA H H 1 7.525 0.01 . . . . . . . 40 ALA H . 50471 1 163 . 1 . 1 40 40 ALA C C 13 180.475 0.03 . . . . . . . 40 ALA C . 50471 1 164 . 1 . 1 40 40 ALA CA C 13 54.819 0.01 . . . . . . . 40 ALA CA . 50471 1 165 . 1 . 1 40 40 ALA CB C 13 19.239 0.04 . . . . . . . 40 ALA CB . 50471 1 166 . 1 . 1 40 40 ALA N N 15 118.832 0.05 . . . . . . . 40 ALA N . 50471 1 167 . 1 . 1 41 41 ASP H H 1 8.781 0.02 . . . . . . . 41 ASP H . 50471 1 168 . 1 . 1 41 41 ASP C C 13 173.205 0.15 . . . . . . . 41 ASP C . 50471 1 169 . 1 . 1 41 41 ASP CA C 13 55.527 0.08 . . . . . . . 41 ASP CA . 50471 1 170 . 1 . 1 41 41 ASP CB C 13 41.450 0.32 . . . . . . . 41 ASP CB . 50471 1 171 . 1 . 1 41 41 ASP N N 15 113.834 0.23 . . . . . . . 41 ASP N . 50471 1 172 . 1 . 1 42 42 PHE H H 1 7.811 0.01 . . . . . . . 42 PHE H . 50471 1 173 . 1 . 1 42 42 PHE C C 13 175.742 0.01 . . . . . . . 42 PHE C . 50471 1 174 . 1 . 1 42 42 PHE CA C 13 57.411 0.02 . . . . . . . 42 PHE CA . 50471 1 175 . 1 . 1 42 42 PHE CB C 13 42.329 0.04 . . . . . . . 42 PHE CB . 50471 1 176 . 1 . 1 42 42 PHE N N 15 114.106 0.01 . . . . . . . 42 PHE N . 50471 1 177 . 1 . 1 43 43 GLY H H 1 9.207 0.01 . . . . . . . 43 GLY H . 50471 1 178 . 1 . 1 43 43 GLY C C 13 174.276 0.01 . . . . . . . 43 GLY C . 50471 1 179 . 1 . 1 43 43 GLY CA C 13 44.841 0.02 . . . . . . . 43 GLY CA . 50471 1 180 . 1 . 1 43 43 GLY N N 15 107.571 0.09 . . . . . . . 43 GLY N . 50471 1 181 . 1 . 1 44 44 MET H H 1 7.580 0.01 . . . . . . . 44 MET H . 50471 1 182 . 1 . 1 44 44 MET C C 13 173.348 0.00 . . . . . . . 44 MET C . 50471 1 183 . 1 . 1 44 44 MET CA C 13 53.760 0.04 . . . . . . . 44 MET CA . 50471 1 184 . 1 . 1 44 44 MET CB C 13 36.127 0.03 . . . . . . . 44 MET CB . 50471 1 185 . 1 . 1 44 44 MET N N 15 122.437 0.04 . . . . . . . 44 MET N . 50471 1 186 . 1 . 1 51 51 MET C C 13 176.548 0.02 . . . . . . . 51 MET C . 50471 1 187 . 1 . 1 51 51 MET CA C 13 52.369 0.00 . . . . . . . 51 MET CA . 50471 1 188 . 1 . 1 51 51 MET CB C 13 26.746 0.00 . . . . . . . 51 MET CB . 50471 1 189 . 1 . 1 52 52 GLN H H 1 7.236 0.01 . . . . . . . 52 GLN H . 50471 1 190 . 1 . 1 52 52 GLN C C 13 179.472 0.01 . . . . . . . 52 GLN C . 50471 1 191 . 1 . 1 52 52 GLN CA C 13 54.278 0.01 . . . . . . . 52 GLN CA . 50471 1 192 . 1 . 1 52 52 GLN CB C 13 26.689 0.00 . . . . . . . 52 GLN CB . 50471 1 193 . 1 . 1 52 52 GLN N N 15 116.787 0.01 . . . . . . . 52 GLN N . 50471 1 194 . 1 . 1 53 53 TRP H H 1 10.494 0.01 . . . . . . . 53 TRP H . 50471 1 195 . 1 . 1 53 53 TRP C C 13 178.548 0.01 . . . . . . . 53 TRP C . 50471 1 196 . 1 . 1 53 53 TRP CA C 13 61.255 0.01 . . . . . . . 53 TRP CA . 50471 1 197 . 1 . 1 53 53 TRP CB C 13 27.126 0.07 . . . . . . . 53 TRP CB . 50471 1 198 . 1 . 1 53 53 TRP N N 15 128.489 0.02 . . . . . . . 53 TRP N . 50471 1 199 . 1 . 1 54 54 ASP H H 1 8.925 0.01 . . . . . . . 54 ASP H . 50471 1 200 . 1 . 1 54 54 ASP C C 13 177.058 0.02 . . . . . . . 54 ASP C . 50471 1 201 . 1 . 1 54 54 ASP CA C 13 56.880 0.01 . . . . . . . 54 ASP CA . 50471 1 202 . 1 . 1 54 54 ASP CB C 13 38.130 0.03 . . . . . . . 54 ASP CB . 50471 1 203 . 1 . 1 54 54 ASP N N 15 119.090 0.03 . . . . . . . 54 ASP N . 50471 1 204 . 1 . 1 55 55 ALA H H 1 7.326 0.01 . . . . . . . 55 ALA H . 50471 1 205 . 1 . 1 55 55 ALA C C 13 179.347 0.02 . . . . . . . 55 ALA C . 50471 1 206 . 1 . 1 55 55 ALA CA C 13 53.390 0.02 . . . . . . . 55 ALA CA . 50471 1 207 . 1 . 1 55 55 ALA CB C 13 19.649 0.04 . . . . . . . 55 ALA CB . 50471 1 208 . 1 . 1 55 55 ALA N N 15 122.455 0.03 . . . . . . . 55 ALA N . 50471 1 209 . 1 . 1 56 56 THR H H 1 7.859 0.01 . . . . . . . 56 THR H . 50471 1 210 . 1 . 1 56 56 THR C C 13 176.292 0.02 . . . . . . . 56 THR C . 50471 1 211 . 1 . 1 56 56 THR CA C 13 61.722 0.01 . . . . . . . 56 THR CA . 50471 1 212 . 1 . 1 56 56 THR CB C 13 72.357 0.02 . . . . . . . 56 THR CB . 50471 1 213 . 1 . 1 56 56 THR N N 15 104.584 0.04 . . . . . . . 56 THR N . 50471 1 214 . 1 . 1 57 57 GLU H H 1 9.161 0.01 . . . . . . . 57 GLU H . 50471 1 215 . 1 . 1 57 57 GLU C C 13 173.049 0.01 . . . . . . . 57 GLU C . 50471 1 216 . 1 . 1 57 57 GLU CA C 13 52.877 0.01 . . . . . . . 57 GLU CA . 50471 1 217 . 1 . 1 57 57 GLU CB C 13 30.690 0.01 . . . . . . . 57 GLU CB . 50471 1 218 . 1 . 1 57 57 GLU N N 15 123.676 0.01 . . . . . . . 57 GLU N . 50471 1 219 . 1 . 1 58 58 PRO C C 13 177.346 0.01 . . . . . . . 58 PRO C . 50471 1 220 . 1 . 1 58 58 PRO CA C 13 64.535 0.01 . . . . . . . 58 PRO CA . 50471 1 221 . 1 . 1 58 58 PRO CB C 13 31.410 0.02 . . . . . . . 58 PRO CB . 50471 1 222 . 1 . 1 59 59 SER H H 1 7.424 0.01 . . . . . . . 59 SER H . 50471 1 223 . 1 . 1 59 59 SER C C 13 172.739 0.01 . . . . . . . 59 SER C . 50471 1 224 . 1 . 1 59 59 SER CA C 13 56.182 0.01 . . . . . . . 59 SER CA . 50471 1 225 . 1 . 1 59 59 SER CB C 13 64.560 0.06 . . . . . . . 59 SER CB . 50471 1 226 . 1 . 1 59 59 SER N N 15 111.082 0.03 . . . . . . . 59 SER N . 50471 1 227 . 1 . 1 60 60 GLN H H 1 7.247 0.01 . . . . . . . 60 GLN H . 50471 1 228 . 1 . 1 60 60 GLN C C 13 177.672 0.01 . . . . . . . 60 GLN C . 50471 1 229 . 1 . 1 60 60 GLN CA C 13 57.529 0.01 . . . . . . . 60 GLN CA . 50471 1 230 . 1 . 1 60 60 GLN CB C 13 25.930 0.02 . . . . . . . 60 GLN CB . 50471 1 231 . 1 . 1 60 60 GLN N N 15 123.005 0.02 . . . . . . . 60 GLN N . 50471 1 232 . 1 . 1 61 61 GLY H H 1 10.507 0.01 . . . . . . . 61 GLY H . 50471 1 233 . 1 . 1 61 61 GLY C C 13 172.628 0.01 . . . . . . . 61 GLY C . 50471 1 234 . 1 . 1 61 61 GLY CA C 13 45.265 0.04 . . . . . . . 61 GLY CA . 50471 1 235 . 1 . 1 61 61 GLY N N 15 119.051 0.01 . . . . . . . 61 GLY N . 50471 1 236 . 1 . 1 62 62 ASN H H 1 7.668 0.01 . . . . . . . 62 ASN H . 50471 1 237 . 1 . 1 62 62 ASN C C 13 173.063 0.01 . . . . . . . 62 ASN C . 50471 1 238 . 1 . 1 62 62 ASN CA C 13 51.363 0.01 . . . . . . . 62 ASN CA . 50471 1 239 . 1 . 1 62 62 ASN CB C 13 37.960 0.01 . . . . . . . 62 ASN CB . 50471 1 240 . 1 . 1 62 62 ASN N N 15 122.892 0.02 . . . . . . . 62 ASN N . 50471 1 241 . 1 . 1 63 63 PHE H H 1 8.042 0.01 . . . . . . . 63 PHE H . 50471 1 242 . 1 . 1 63 63 PHE C C 13 177.030 0.01 . . . . . . . 63 PHE C . 50471 1 243 . 1 . 1 63 63 PHE CA C 13 56.615 0.01 . . . . . . . 63 PHE CA . 50471 1 244 . 1 . 1 63 63 PHE CB C 13 41.063 0.02 . . . . . . . 63 PHE CB . 50471 1 245 . 1 . 1 63 63 PHE N N 15 120.031 0.02 . . . . . . . 63 PHE N . 50471 1 246 . 1 . 1 64 64 ASN H H 1 8.849 0.01 . . . . . . . 64 ASN H . 50471 1 247 . 1 . 1 64 64 ASN C C 13 173.859 0.02 . . . . . . . 64 ASN C . 50471 1 248 . 1 . 1 64 64 ASN CA C 13 52.210 0.01 . . . . . . . 64 ASN CA . 50471 1 249 . 1 . 1 64 64 ASN CB C 13 39.591 0.02 . . . . . . . 64 ASN CB . 50471 1 250 . 1 . 1 64 64 ASN N N 15 122.271 0.01 . . . . . . . 64 ASN N . 50471 1 251 . 1 . 1 65 65 PHE H H 1 8.698 0.01 . . . . . . . 65 PHE H . 50471 1 252 . 1 . 1 65 65 PHE C C 13 176.230 0.01 . . . . . . . 65 PHE C . 50471 1 253 . 1 . 1 65 65 PHE CA C 13 56.622 0.01 . . . . . . . 65 PHE CA . 50471 1 254 . 1 . 1 65 65 PHE CB C 13 39.470 0.03 . . . . . . . 65 PHE CB . 50471 1 255 . 1 . 1 65 65 PHE N N 15 121.301 0.01 . . . . . . . 65 PHE N . 50471 1 256 . 1 . 1 66 66 ALA H H 1 7.823 0.01 . . . . . . . 66 ALA H . 50471 1 257 . 1 . 1 66 66 ALA C C 13 181.148 0.02 . . . . . . . 66 ALA C . 50471 1 258 . 1 . 1 66 66 ALA CA C 13 56.738 0.01 . . . . . . . 66 ALA CA . 50471 1 259 . 1 . 1 66 66 ALA CB C 13 17.590 0.02 . . . . . . . 66 ALA CB . 50471 1 260 . 1 . 1 66 66 ALA N N 15 123.598 0.03 . . . . . . . 66 ALA N . 50471 1 261 . 1 . 1 67 67 GLY H H 1 8.637 0.01 . . . . . . . 67 GLY H . 50471 1 262 . 1 . 1 67 67 GLY C C 13 176.949 0.01 . . . . . . . 67 GLY C . 50471 1 263 . 1 . 1 67 67 GLY CA C 13 46.771 0.04 . . . . . . . 67 GLY CA . 50471 1 264 . 1 . 1 67 67 GLY N N 15 107.047 0.01 . . . . . . . 67 GLY N . 50471 1 265 . 1 . 1 68 68 ALA H H 1 7.937 0.01 . . . . . . . 68 ALA H . 50471 1 266 . 1 . 1 68 68 ALA C C 13 179.173 0.02 . . . . . . . 68 ALA C . 50471 1 267 . 1 . 1 68 68 ALA CA C 13 55.335 0.01 . . . . . . . 68 ALA CA . 50471 1 268 . 1 . 1 68 68 ALA CB C 13 18.121 0.02 . . . . . . . 68 ALA CB . 50471 1 269 . 1 . 1 68 68 ALA N N 15 130.618 0.04 . . . . . . . 68 ALA N . 50471 1 270 . 1 . 1 69 69 ASP H H 1 9.374 0.01 . . . . . . . 69 ASP H . 50471 1 271 . 1 . 1 69 69 ASP C C 13 178.859 0.01 . . . . . . . 69 ASP C . 50471 1 272 . 1 . 1 69 69 ASP CA C 13 56.644 0.01 . . . . . . . 69 ASP CA . 50471 1 273 . 1 . 1 69 69 ASP CB C 13 39.230 0.04 . . . . . . . 69 ASP CB . 50471 1 274 . 1 . 1 69 69 ASP N N 15 117.129 0.02 . . . . . . . 69 ASP N . 50471 1 275 . 1 . 1 70 70 TYR H H 1 7.616 0.01 . . . . . . . 70 TYR H . 50471 1 276 . 1 . 1 70 70 TYR C C 13 178.543 0.01 . . . . . . . 70 TYR C . 50471 1 277 . 1 . 1 70 70 TYR CA C 13 61.706 0.01 . . . . . . . 70 TYR CA . 50471 1 278 . 1 . 1 70 70 TYR CB C 13 37.754 0.02 . . . . . . . 70 TYR CB . 50471 1 279 . 1 . 1 70 70 TYR N N 15 119.627 0.02 . . . . . . . 70 TYR N . 50471 1 280 . 1 . 1 71 71 LEU H H 1 7.522 0.01 . . . . . . . 71 LEU H . 50471 1 281 . 1 . 1 71 71 LEU C C 13 178.066 0.04 . . . . . . . 71 LEU C . 50471 1 282 . 1 . 1 71 71 LEU CA C 13 57.170 0.01 . . . . . . . 71 LEU CA . 50471 1 283 . 1 . 1 71 71 LEU CB C 13 40.310 0.02 . . . . . . . 71 LEU CB . 50471 1 284 . 1 . 1 71 71 LEU N N 15 121.206 0.04 . . . . . . . 71 LEU N . 50471 1 285 . 1 . 1 72 72 VAL H H 1 8.400 0.01 . . . . . . . 72 VAL H . 50471 1 286 . 1 . 1 72 72 VAL C C 13 177.953 0.01 . . . . . . . 72 VAL C . 50471 1 287 . 1 . 1 72 72 VAL CA C 13 66.096 0.03 . . . . . . . 72 VAL CA . 50471 1 288 . 1 . 1 72 72 VAL CB C 13 30.793 0.02 . . . . . . . 72 VAL CB . 50471 1 289 . 1 . 1 72 72 VAL N N 15 120.405 0.06 . . . . . . . 72 VAL N . 50471 1 290 . 1 . 1 73 73 ASN H H 1 8.364 0.01 . . . . . . . 73 ASN H . 50471 1 291 . 1 . 1 73 73 ASN C C 13 177.149 0.02 . . . . . . . 73 ASN C . 50471 1 292 . 1 . 1 73 73 ASN CA C 13 56.313 0.01 . . . . . . . 73 ASN CA . 50471 1 293 . 1 . 1 73 73 ASN CB C 13 37.590 0.02 . . . . . . . 73 ASN CB . 50471 1 294 . 1 . 1 73 73 ASN N N 15 117.732 0.03 . . . . . . . 73 ASN N . 50471 1 295 . 1 . 1 74 74 TRP H H 1 8.329 0.01 . . . . . . . 74 TRP H . 50471 1 296 . 1 . 1 74 74 TRP C C 13 179.950 0.02 . . . . . . . 74 TRP C . 50471 1 297 . 1 . 1 74 74 TRP CA C 13 62.435 0.01 . . . . . . . 74 TRP CA . 50471 1 298 . 1 . 1 74 74 TRP CB C 13 28.631 0.09 . . . . . . . 74 TRP CB . 50471 1 299 . 1 . 1 74 74 TRP N N 15 122.454 0.03 . . . . . . . 74 TRP N . 50471 1 300 . 1 . 1 75 75 ALA H H 1 8.922 0.01 . . . . . . . 75 ALA H . 50471 1 301 . 1 . 1 75 75 ALA C C 13 179.783 0.02 . . . . . . . 75 ALA C . 50471 1 302 . 1 . 1 75 75 ALA CA C 13 55.639 0.02 . . . . . . . 75 ALA CA . 50471 1 303 . 1 . 1 75 75 ALA CB C 13 17.607 0.02 . . . . . . . 75 ALA CB . 50471 1 304 . 1 . 1 75 75 ALA N N 15 122.504 0.03 . . . . . . . 75 ALA N . 50471 1 305 . 1 . 1 76 76 GLN H H 1 8.189 0.01 . . . . . . . 76 GLN H . 50471 1 306 . 1 . 1 76 76 GLN C C 13 180.253 0.01 . . . . . . . 76 GLN C . 50471 1 307 . 1 . 1 76 76 GLN CA C 13 59.020 0.03 . . . . . . . 76 GLN CA . 50471 1 308 . 1 . 1 76 76 GLN CB C 13 28.187 0.01 . . . . . . . 76 GLN CB . 50471 1 309 . 1 . 1 76 76 GLN N N 15 117.030 0.02 . . . . . . . 76 GLN N . 50471 1 310 . 1 . 1 77 77 GLN H H 1 8.125 0.01 . . . . . . . 77 GLN H . 50471 1 311 . 1 . 1 77 77 GLN C C 13 176.900 0.01 . . . . . . . 77 GLN C . 50471 1 312 . 1 . 1 77 77 GLN CA C 13 57.517 0.01 . . . . . . . 77 GLN CA . 50471 1 313 . 1 . 1 77 77 GLN CB C 13 27.552 0.02 . . . . . . . 77 GLN CB . 50471 1 314 . 1 . 1 77 77 GLN N N 15 118.979 0.03 . . . . . . . 77 GLN N . 50471 1 315 . 1 . 1 78 78 ASN H H 1 7.107 0.01 . . . . . . . 78 ASN H . 50471 1 316 . 1 . 1 78 78 ASN C C 13 174.109 0.01 . . . . . . . 78 ASN C . 50471 1 317 . 1 . 1 78 78 ASN CA C 13 52.962 0.01 . . . . . . . 78 ASN CA . 50471 1 318 . 1 . 1 78 78 ASN CB C 13 38.515 0.02 . . . . . . . 78 ASN CB . 50471 1 319 . 1 . 1 78 78 ASN N N 15 113.709 0.03 . . . . . . . 78 ASN N . 50471 1 320 . 1 . 1 79 79 GLY H H 1 7.349 0.01 . . . . . . . 79 GLY H . 50471 1 321 . 1 . 1 79 79 GLY C C 13 174.694 0.01 . . . . . . . 79 GLY C . 50471 1 322 . 1 . 1 79 79 GLY CA C 13 47.041 0.02 . . . . . . . 79 GLY CA . 50471 1 323 . 1 . 1 79 79 GLY N N 15 109.750 0.01 . . . . . . . 79 GLY N . 50471 1 324 . 1 . 1 80 80 LYS H H 1 8.389 0.01 . . . . . . . 80 LYS H . 50471 1 325 . 1 . 1 80 80 LYS C C 13 176.537 0.01 . . . . . . . 80 LYS C . 50471 1 326 . 1 . 1 80 80 LYS CA C 13 51.900 0.01 . . . . . . . 80 LYS CA . 50471 1 327 . 1 . 1 80 80 LYS CB C 13 32.122 0.02 . . . . . . . 80 LYS CB . 50471 1 328 . 1 . 1 80 80 LYS N N 15 116.413 0.03 . . . . . . . 80 LYS N . 50471 1 329 . 1 . 1 81 81 LEU H H 1 7.578 0.00 . . . . . . . 81 LEU H . 50471 1 330 . 1 . 1 81 81 LEU C C 13 176.022 0.01 . . . . . . . 81 LEU C . 50471 1 331 . 1 . 1 81 81 LEU CA C 13 54.209 0.01 . . . . . . . 81 LEU CA . 50471 1 332 . 1 . 1 81 81 LEU CB C 13 43.584 0.01 . . . . . . . 81 LEU CB . 50471 1 333 . 1 . 1 81 81 LEU N N 15 120.122 0.02 . . . . . . . 81 LEU N . 50471 1 334 . 1 . 1 82 82 ILE H H 1 8.416 0.01 . . . . . . . 82 ILE H . 50471 1 335 . 1 . 1 82 82 ILE C C 13 174.959 0.02 . . . . . . . 82 ILE C . 50471 1 336 . 1 . 1 82 82 ILE CA C 13 59.846 0.00 . . . . . . . 82 ILE CA . 50471 1 337 . 1 . 1 82 82 ILE CB C 13 43.593 0.00 . . . . . . . 82 ILE CB . 50471 1 338 . 1 . 1 82 82 ILE N N 15 119.734 0.02 . . . . . . . 82 ILE N . 50471 1 339 . 1 . 1 86 86 CYS C C 13 175.022 0.00 . . . . . . . 86 CYS C . 50471 1 340 . 1 . 1 86 86 CYS CA C 13 58.488 0.00 . . . . . . . 86 CYS CA . 50471 1 341 . 1 . 1 87 87 LEU H H 1 8.288 0.00 . . . . . . . 87 LEU H . 50471 1 342 . 1 . 1 87 87 LEU C C 13 175.291 0.01 . . . . . . . 87 LEU C . 50471 1 343 . 1 . 1 87 87 LEU CA C 13 59.009 0.01 . . . . . . . 87 LEU CA . 50471 1 344 . 1 . 1 87 87 LEU CB C 13 41.028 0.04 . . . . . . . 87 LEU CB . 50471 1 345 . 1 . 1 87 87 LEU N N 15 130.673 0.02 . . . . . . . 87 LEU N . 50471 1 346 . 1 . 1 88 88 VAL H H 1 7.635 0.01 . . . . . . . 88 VAL H . 50471 1 347 . 1 . 1 88 88 VAL C C 13 174.305 0.01 . . . . . . . 88 VAL C . 50471 1 348 . 1 . 1 88 88 VAL CA C 13 62.705 0.01 . . . . . . . 88 VAL CA . 50471 1 349 . 1 . 1 88 88 VAL CB C 13 32.811 0.04 . . . . . . . 88 VAL CB . 50471 1 350 . 1 . 1 88 88 VAL N N 15 115.783 0.03 . . . . . . . 88 VAL N . 50471 1 351 . 1 . 1 89 89 TRP H H 1 7.742 0.01 . . . . . . . 89 TRP H . 50471 1 352 . 1 . 1 89 89 TRP C C 13 175.018 0.00 . . . . . . . 89 TRP C . 50471 1 353 . 1 . 1 89 89 TRP CA C 13 54.721 0.00 . . . . . . . 89 TRP CA . 50471 1 354 . 1 . 1 89 89 TRP N N 15 117.613 0.02 . . . . . . . 89 TRP N . 50471 1 355 . 1 . 1 90 90 HIS C C 13 174.478 0.01 . . . . . . . 90 HIS C . 50471 1 356 . 1 . 1 90 90 HIS CA C 13 56.545 0.00 . . . . . . . 90 HIS CA . 50471 1 357 . 1 . 1 91 91 ASN H H 1 5.290 0.01 . . . . . . . 91 ASN H . 50471 1 358 . 1 . 1 91 91 ASN C C 13 172.319 0.02 . . . . . . . 91 ASN C . 50471 1 359 . 1 . 1 91 91 ASN CA C 13 51.097 0.01 . . . . . . . 91 ASN CA . 50471 1 360 . 1 . 1 91 91 ASN CB C 13 38.916 0.10 . . . . . . . 91 ASN CB . 50471 1 361 . 1 . 1 91 91 ASN N N 15 118.961 0.04 . . . . . . . 91 ASN N . 50471 1 362 . 1 . 1 92 92 PHE H H 1 8.111 0.01 . . . . . . . 92 PHE H . 50471 1 363 . 1 . 1 92 92 PHE C C 13 173.601 0.02 . . . . . . . 92 PHE C . 50471 1 364 . 1 . 1 92 92 PHE CA C 13 58.207 0.01 . . . . . . . 92 PHE CA . 50471 1 365 . 1 . 1 92 92 PHE CB C 13 36.465 0.05 . . . . . . . 92 PHE CB . 50471 1 366 . 1 . 1 92 92 PHE N N 15 114.033 0.03 . . . . . . . 92 PHE N . 50471 1 367 . 1 . 1 93 93 LEU H H 1 7.406 0.01 . . . . . . . 93 LEU H . 50471 1 368 . 1 . 1 93 93 LEU C C 13 175.960 0.00 . . . . . . . 93 LEU C . 50471 1 369 . 1 . 1 93 93 LEU CA C 13 51.215 0.01 . . . . . . . 93 LEU CA . 50471 1 370 . 1 . 1 93 93 LEU CB C 13 42.191 0.01 . . . . . . . 93 LEU CB . 50471 1 371 . 1 . 1 93 93 LEU N N 15 118.320 0.04 . . . . . . . 93 LEU N . 50471 1 372 . 1 . 1 94 94 PRO C C 13 177.503 0.01 . . . . . . . 94 PRO C . 50471 1 373 . 1 . 1 94 94 PRO CA C 13 62.066 0.00 . . . . . . . 94 PRO CA . 50471 1 374 . 1 . 1 94 94 PRO CB C 13 32.303 0.01 . . . . . . . 94 PRO CB . 50471 1 375 . 1 . 1 95 95 SER H H 1 8.935 0.01 . . . . . . . 95 SER H . 50471 1 376 . 1 . 1 95 95 SER C C 13 176.704 0.02 . . . . . . . 95 SER C . 50471 1 377 . 1 . 1 95 95 SER CA C 13 60.629 0.02 . . . . . . . 95 SER CA . 50471 1 378 . 1 . 1 95 95 SER CB C 13 62.511 0.03 . . . . . . . 95 SER CB . 50471 1 379 . 1 . 1 95 95 SER N N 15 119.034 0.03 . . . . . . . 95 SER N . 50471 1 380 . 1 . 1 96 96 TRP H H 1 7.961 0.01 . . . . . . . 96 TRP H . 50471 1 381 . 1 . 1 96 96 TRP C C 13 177.313 0.02 . . . . . . . 96 TRP C . 50471 1 382 . 1 . 1 96 96 TRP CA C 13 58.555 0.01 . . . . . . . 96 TRP CA . 50471 1 383 . 1 . 1 96 96 TRP CB C 13 26.588 0.11 . . . . . . . 96 TRP CB . 50471 1 384 . 1 . 1 96 96 TRP N N 15 119.396 0.02 . . . . . . . 96 TRP N . 50471 1 385 . 1 . 1 97 97 VAL H H 1 6.299 0.01 . . . . . . . 97 VAL H . 50471 1 386 . 1 . 1 97 97 VAL C C 13 176.760 0.01 . . . . . . . 97 VAL C . 50471 1 387 . 1 . 1 97 97 VAL CA C 13 64.148 0.01 . . . . . . . 97 VAL CA . 50471 1 388 . 1 . 1 97 97 VAL CB C 13 30.015 0.02 . . . . . . . 97 VAL CB . 50471 1 389 . 1 . 1 97 97 VAL N N 15 120.959 0.01 . . . . . . . 97 VAL N . 50471 1 390 . 1 . 1 98 98 SER H H 1 6.610 0.01 . . . . . . . 98 SER H . 50471 1 391 . 1 . 1 98 98 SER C C 13 174.677 0.02 . . . . . . . 98 SER C . 50471 1 392 . 1 . 1 98 98 SER CA C 13 59.797 0.02 . . . . . . . 98 SER CA . 50471 1 393 . 1 . 1 98 98 SER CB C 13 62.122 0.03 . . . . . . . 98 SER CB . 50471 1 394 . 1 . 1 98 98 SER N N 15 110.094 0.02 . . . . . . . 98 SER N . 50471 1 395 . 1 . 1 99 99 SER H H 1 7.244 0.01 . . . . . . . 99 SER H . 50471 1 396 . 1 . 1 99 99 SER C C 13 173.914 0.01 . . . . . . . 99 SER C . 50471 1 397 . 1 . 1 99 99 SER CA C 13 58.539 0.01 . . . . . . . 99 SER CA . 50471 1 398 . 1 . 1 99 99 SER CB C 13 63.944 0.03 . . . . . . . 99 SER CB . 50471 1 399 . 1 . 1 99 99 SER N N 15 114.434 0.06 . . . . . . . 99 SER N . 50471 1 400 . 1 . 1 100 100 ILE H H 1 7.262 0.01 . . . . . . . 100 ILE H . 50471 1 401 . 1 . 1 100 100 ILE C C 13 175.843 0.01 . . . . . . . 100 ILE C . 50471 1 402 . 1 . 1 100 100 ILE CA C 13 63.000 0.01 . . . . . . . 100 ILE CA . 50471 1 403 . 1 . 1 100 100 ILE CB C 13 36.666 0.02 . . . . . . . 100 ILE CB . 50471 1 404 . 1 . 1 100 100 ILE N N 15 125.387 0.01 . . . . . . . 100 ILE N . 50471 1 405 . 1 . 1 101 101 THR H H 1 8.187 0.01 . . . . . . . 101 THR H . 50471 1 406 . 1 . 1 101 101 THR C C 13 173.908 0.01 . . . . . . . 101 THR C . 50471 1 407 . 1 . 1 101 101 THR CA C 13 60.687 0.01 . . . . . . . 101 THR CA . 50471 1 408 . 1 . 1 101 101 THR CB C 13 69.350 0.01 . . . . . . . 101 THR CB . 50471 1 409 . 1 . 1 101 101 THR N N 15 114.506 0.02 . . . . . . . 101 THR N . 50471 1 410 . 1 . 1 102 102 ASP H H 1 7.212 0.01 . . . . . . . 102 ASP H . 50471 1 411 . 1 . 1 102 102 ASP C C 13 174.843 0.01 . . . . . . . 102 ASP C . 50471 1 412 . 1 . 1 102 102 ASP CA C 13 53.082 0.01 . . . . . . . 102 ASP CA . 50471 1 413 . 1 . 1 102 102 ASP CB C 13 43.627 0.01 . . . . . . . 102 ASP CB . 50471 1 414 . 1 . 1 102 102 ASP N N 15 123.880 0.03 . . . . . . . 102 ASP N . 50471 1 415 . 1 . 1 103 103 LYS H H 1 8.780 0.01 . . . . . . . 103 LYS H . 50471 1 416 . 1 . 1 103 103 LYS C C 13 176.973 0.01 . . . . . . . 103 LYS C . 50471 1 417 . 1 . 1 103 103 LYS CA C 13 60.432 0.01 . . . . . . . 103 LYS CA . 50471 1 418 . 1 . 1 103 103 LYS CB C 13 31.450 0.01 . . . . . . . 103 LYS CB . 50471 1 419 . 1 . 1 103 103 LYS N N 15 129.820 0.02 . . . . . . . 103 LYS N . 50471 1 420 . 1 . 1 104 104 ASN H H 1 8.751 0.01 . . . . . . . 104 ASN H . 50471 1 421 . 1 . 1 104 104 ASN C C 13 178.174 0.01 . . . . . . . 104 ASN C . 50471 1 422 . 1 . 1 104 104 ASN CA C 13 56.427 0.01 . . . . . . . 104 ASN CA . 50471 1 423 . 1 . 1 104 104 ASN CB C 13 37.184 0.02 . . . . . . . 104 ASN CB . 50471 1 424 . 1 . 1 104 104 ASN N N 15 117.702 0.01 . . . . . . . 104 ASN N . 50471 1 425 . 1 . 1 105 105 THR H H 1 8.164 0.01 . . . . . . . 105 THR H . 50471 1 426 . 1 . 1 105 105 THR C C 13 176.168 0.02 . . . . . . . 105 THR C . 50471 1 427 . 1 . 1 105 105 THR CA C 13 66.615 0.01 . . . . . . . 105 THR CA . 50471 1 428 . 1 . 1 105 105 THR CB C 13 67.727 0.02 . . . . . . . 105 THR CB . 50471 1 429 . 1 . 1 105 105 THR N N 15 117.706 0.01 . . . . . . . 105 THR N . 50471 1 430 . 1 . 1 106 106 LEU H H 1 8.387 0.01 . . . . . . . 106 LEU H . 50471 1 431 . 1 . 1 106 106 LEU C C 13 178.848 0.01 . . . . . . . 106 LEU C . 50471 1 432 . 1 . 1 106 106 LEU CA C 13 57.525 0.01 . . . . . . . 106 LEU CA . 50471 1 433 . 1 . 1 106 106 LEU CB C 13 39.559 0.03 . . . . . . . 106 LEU CB . 50471 1 434 . 1 . 1 106 106 LEU N N 15 122.969 0.03 . . . . . . . 106 LEU N . 50471 1 435 . 1 . 1 107 107 ILE H H 1 8.666 0.01 . . . . . . . 107 ILE H . 50471 1 436 . 1 . 1 107 107 ILE C C 13 177.667 0.01 . . . . . . . 107 ILE C . 50471 1 437 . 1 . 1 107 107 ILE CA C 13 66.996 0.02 . . . . . . . 107 ILE CA . 50471 1 438 . 1 . 1 107 107 ILE CB C 13 37.141 0.02 . . . . . . . 107 ILE CB . 50471 1 439 . 1 . 1 107 107 ILE N N 15 119.508 0.02 . . . . . . . 107 ILE N . 50471 1 440 . 1 . 1 108 108 ASN H H 1 7.896 0.01 . . . . . . . 108 ASN H . 50471 1 441 . 1 . 1 108 108 ASN C C 13 178.788 0.02 . . . . . . . 108 ASN C . 50471 1 442 . 1 . 1 108 108 ASN CA C 13 56.584 0.01 . . . . . . . 108 ASN CA . 50471 1 443 . 1 . 1 108 108 ASN CB C 13 37.294 0.02 . . . . . . . 108 ASN CB . 50471 1 444 . 1 . 1 108 108 ASN N N 15 118.764 0.02 . . . . . . . 108 ASN N . 50471 1 445 . 1 . 1 109 109 VAL H H 1 8.901 0.01 . . . . . . . 109 VAL H . 50471 1 446 . 1 . 1 109 109 VAL C C 13 179.039 0.04 . . . . . . . 109 VAL C . 50471 1 447 . 1 . 1 109 109 VAL CA C 13 65.849 0.01 . . . . . . . 109 VAL CA . 50471 1 448 . 1 . 1 109 109 VAL CB C 13 31.770 0.01 . . . . . . . 109 VAL CB . 50471 1 449 . 1 . 1 109 109 VAL N N 15 122.498 0.04 . . . . . . . 109 VAL N . 50471 1 450 . 1 . 1 110 110 MET H H 1 9.148 0.01 . . . . . . . 110 MET H . 50471 1 451 . 1 . 1 110 110 MET C C 13 178.386 0.01 . . . . . . . 110 MET C . 50471 1 452 . 1 . 1 110 110 MET CA C 13 59.757 0.01 . . . . . . . 110 MET CA . 50471 1 453 . 1 . 1 110 110 MET CB C 13 33.403 0.01 . . . . . . . 110 MET CB . 50471 1 454 . 1 . 1 110 110 MET N N 15 123.224 0.01 . . . . . . . 110 MET N . 50471 1 455 . 1 . 1 111 111 LYS H H 1 9.171 0.01 . . . . . . . 111 LYS H . 50471 1 456 . 1 . 1 111 111 LYS C C 13 179.006 0.01 . . . . . . . 111 LYS C . 50471 1 457 . 1 . 1 111 111 LYS CA C 13 60.654 0.04 . . . . . . . 111 LYS CA . 50471 1 458 . 1 . 1 111 111 LYS CB C 13 31.058 0.03 . . . . . . . 111 LYS CB . 50471 1 459 . 1 . 1 111 111 LYS N N 15 118.278 0.02 . . . . . . . 111 LYS N . 50471 1 460 . 1 . 1 112 112 ASN H H 1 8.652 0.01 . . . . . . . 112 ASN H . 50471 1 461 . 1 . 1 112 112 ASN C C 13 178.402 0.01 . . . . . . . 112 ASN C . 50471 1 462 . 1 . 1 112 112 ASN CA C 13 56.303 0.01 . . . . . . . 112 ASN CA . 50471 1 463 . 1 . 1 112 112 ASN CB C 13 38.374 0.01 . . . . . . . 112 ASN CB . 50471 1 464 . 1 . 1 112 112 ASN N N 15 118.139 0.02 . . . . . . . 112 ASN N . 50471 1 465 . 1 . 1 113 113 HIS H H 1 8.572 0.01 . . . . . . . 113 HIS H . 50471 1 466 . 1 . 1 113 113 HIS C C 13 174.999 0.04 . . . . . . . 113 HIS C . 50471 1 467 . 1 . 1 113 113 HIS CA C 13 61.097 0.01 . . . . . . . 113 HIS CA . 50471 1 468 . 1 . 1 113 113 HIS CB C 13 28.590 0.01 . . . . . . . 113 HIS CB . 50471 1 469 . 1 . 1 113 113 HIS N N 15 122.701 0.03 . . . . . . . 113 HIS N . 50471 1 470 . 1 . 1 114 114 ILE H H 1 7.816 0.01 . . . . . . . 114 ILE H . 50471 1 471 . 1 . 1 114 114 ILE C C 13 176.871 0.01 . . . . . . . 114 ILE C . 50471 1 472 . 1 . 1 114 114 ILE CA C 13 65.005 0.01 . . . . . . . 114 ILE CA . 50471 1 473 . 1 . 1 114 114 ILE CB C 13 38.678 0.03 . . . . . . . 114 ILE CB . 50471 1 474 . 1 . 1 114 114 ILE N N 15 116.079 0.01 . . . . . . . 114 ILE N . 50471 1 475 . 1 . 1 115 115 THR H H 1 8.624 0.01 . . . . . . . 115 THR H . 50471 1 476 . 1 . 1 115 115 THR C C 13 177.666 0.02 . . . . . . . 115 THR C . 50471 1 477 . 1 . 1 115 115 THR CA C 13 66.866 0.04 . . . . . . . 115 THR CA . 50471 1 478 . 1 . 1 115 115 THR CB C 13 67.980 0.03 . . . . . . . 115 THR CB . 50471 1 479 . 1 . 1 115 115 THR N N 15 113.840 0.02 . . . . . . . 115 THR N . 50471 1 480 . 1 . 1 116 116 THR H H 1 8.182 0.01 . . . . . . . 116 THR H . 50471 1 481 . 1 . 1 116 116 THR C C 13 175.983 0.03 . . . . . . . 116 THR C . 50471 1 482 . 1 . 1 116 116 THR CA C 13 67.234 0.02 . . . . . . . 116 THR CA . 50471 1 483 . 1 . 1 116 116 THR CB C 13 67.893 0.02 . . . . . . . 116 THR CB . 50471 1 484 . 1 . 1 116 116 THR N N 15 121.013 0.02 . . . . . . . 116 THR N . 50471 1 485 . 1 . 1 117 117 LEU H H 1 6.836 0.01 . . . . . . . 117 LEU H . 50471 1 486 . 1 . 1 117 117 LEU C C 13 177.426 0.04 . . . . . . . 117 LEU C . 50471 1 487 . 1 . 1 117 117 LEU CA C 13 59.841 0.01 . . . . . . . 117 LEU CA . 50471 1 488 . 1 . 1 117 117 LEU CB C 13 40.349 0.02 . . . . . . . 117 LEU CB . 50471 1 489 . 1 . 1 117 117 LEU N N 15 123.067 0.07 . . . . . . . 117 LEU N . 50471 1 490 . 1 . 1 118 118 MET H H 1 7.546 0.00 . . . . . . . 118 MET H . 50471 1 491 . 1 . 1 118 118 MET C C 13 179.958 0.01 . . . . . . . 118 MET C . 50471 1 492 . 1 . 1 118 118 MET CA C 13 59.139 0.00 . . . . . . . 118 MET CA . 50471 1 493 . 1 . 1 118 118 MET CB C 13 32.765 0.02 . . . . . . . 118 MET CB . 50471 1 494 . 1 . 1 118 118 MET N N 15 111.891 0.01 . . . . . . . 118 MET N . 50471 1 495 . 1 . 1 119 119 THR H H 1 7.939 0.01 . . . . . . . 119 THR H . 50471 1 496 . 1 . 1 119 119 THR C C 13 176.698 0.01 . . . . . . . 119 THR C . 50471 1 497 . 1 . 1 119 119 THR CA C 13 66.011 0.04 . . . . . . . 119 THR CA . 50471 1 498 . 1 . 1 119 119 THR CB C 13 68.068 0.02 . . . . . . . 119 THR CB . 50471 1 499 . 1 . 1 119 119 THR N N 15 112.021 0.01 . . . . . . . 119 THR N . 50471 1 500 . 1 . 1 120 120 ARG H H 1 6.937 0.01 . . . . . . . 120 ARG H . 50471 1 501 . 1 . 1 120 120 ARG C C 13 177.216 0.01 . . . . . . . 120 ARG C . 50471 1 502 . 1 . 1 120 120 ARG CA C 13 58.996 0.01 . . . . . . . 120 ARG CA . 50471 1 503 . 1 . 1 120 120 ARG CB C 13 27.930 0.02 . . . . . . . 120 ARG CB . 50471 1 504 . 1 . 1 120 120 ARG N N 15 123.516 0.02 . . . . . . . 120 ARG N . 50471 1 505 . 1 . 1 121 121 TYR H H 1 6.289 0.01 . . . . . . . 121 TYR H . 50471 1 506 . 1 . 1 121 121 TYR C C 13 173.629 0.01 . . . . . . . 121 TYR C . 50471 1 507 . 1 . 1 121 121 TYR CA C 13 55.413 0.03 . . . . . . . 121 TYR CA . 50471 1 508 . 1 . 1 121 121 TYR CB C 13 38.616 0.05 . . . . . . . 121 TYR CB . 50471 1 509 . 1 . 1 121 121 TYR N N 15 113.550 0.02 . . . . . . . 121 TYR N . 50471 1 510 . 1 . 1 122 122 LYS H H 1 6.685 0.01 . . . . . . . 122 LYS H . 50471 1 511 . 1 . 1 122 122 LYS C C 13 177.893 0.01 . . . . . . . 122 LYS C . 50471 1 512 . 1 . 1 122 122 LYS CA C 13 58.255 0.01 . . . . . . . 122 LYS CA . 50471 1 513 . 1 . 1 122 122 LYS CB C 13 32.387 0.00 . . . . . . . 122 LYS CB . 50471 1 514 . 1 . 1 122 122 LYS N N 15 122.578 0.01 . . . . . . . 122 LYS N . 50471 1 515 . 1 . 1 123 123 GLY H H 1 9.142 0.01 . . . . . . . 123 GLY H . 50471 1 516 . 1 . 1 123 123 GLY C C 13 175.414 0.03 . . . . . . . 123 GLY C . 50471 1 517 . 1 . 1 123 123 GLY CA C 13 45.610 0.04 . . . . . . . 123 GLY CA . 50471 1 518 . 1 . 1 123 123 GLY N N 15 116.655 0.01 . . . . . . . 123 GLY N . 50471 1 519 . 1 . 1 124 124 LYS H H 1 8.507 0.01 . . . . . . . 124 LYS H . 50471 1 520 . 1 . 1 124 124 LYS C C 13 175.541 0.02 . . . . . . . 124 LYS C . 50471 1 521 . 1 . 1 124 124 LYS CA C 13 56.008 0.02 . . . . . . . 124 LYS CA . 50471 1 522 . 1 . 1 124 124 LYS CB C 13 33.103 0.02 . . . . . . . 124 LYS CB . 50471 1 523 . 1 . 1 124 124 LYS N N 15 117.280 0.01 . . . . . . . 124 LYS N . 50471 1 524 . 1 . 1 125 125 ILE H H 1 7.066 0.01 . . . . . . . 125 ILE H . 50471 1 525 . 1 . 1 125 125 ILE C C 13 175.001 0.02 . . . . . . . 125 ILE C . 50471 1 526 . 1 . 1 125 125 ILE CA C 13 58.250 0.01 . . . . . . . 125 ILE CA . 50471 1 527 . 1 . 1 125 125 ILE CB C 13 37.455 0.02 . . . . . . . 125 ILE CB . 50471 1 528 . 1 . 1 125 125 ILE N N 15 119.237 0.02 . . . . . . . 125 ILE N . 50471 1 529 . 1 . 1 126 126 ARG H H 1 8.704 0.01 . . . . . . . 126 ARG H . 50471 1 530 . 1 . 1 126 126 ARG C C 13 177.211 0.01 . . . . . . . 126 ARG C . 50471 1 531 . 1 . 1 126 126 ARG CA C 13 58.625 0.01 . . . . . . . 126 ARG CA . 50471 1 532 . 1 . 1 126 126 ARG CB C 13 28.508 0.03 . . . . . . . 126 ARG CB . 50471 1 533 . 1 . 1 126 126 ARG N N 15 129.342 0.02 . . . . . . . 126 ARG N . 50471 1 534 . 1 . 1 129 129 ASP C C 13 175.291 0.00 . . . . . . . 129 ASP C . 50471 1 535 . 1 . 1 129 129 ASP CA C 13 53.791 0.00 . . . . . . . 129 ASP CA . 50471 1 536 . 1 . 1 130 130 VAL H H 1 8.886 0.01 . . . . . . . 130 VAL H . 50471 1 537 . 1 . 1 130 130 VAL C C 13 174.615 0.00 . . . . . . . 130 VAL C . 50471 1 538 . 1 . 1 130 130 VAL CA C 13 64.186 0.01 . . . . . . . 130 VAL CA . 50471 1 539 . 1 . 1 130 130 VAL N N 15 127.940 0.01 . . . . . . . 130 VAL N . 50471 1 540 . 1 . 1 131 131 VAL H H 1 6.659 0.01 . . . . . . . 131 VAL H . 50471 1 541 . 1 . 1 131 131 VAL C C 13 174.101 0.02 . . . . . . . 131 VAL C . 50471 1 542 . 1 . 1 131 131 VAL CA C 13 59.541 0.02 . . . . . . . 131 VAL CA . 50471 1 543 . 1 . 1 131 131 VAL CB C 13 34.964 0.02 . . . . . . . 131 VAL CB . 50471 1 544 . 1 . 1 131 131 VAL N N 15 113.767 0.01 . . . . . . . 131 VAL N . 50471 1 545 . 1 . 1 132 132 GLY H H 1 8.142 0.01 . . . . . . . 132 GLY H . 50471 1 546 . 1 . 1 132 132 GLY C C 13 171.469 0.01 . . . . . . . 132 GLY C . 50471 1 547 . 1 . 1 132 132 GLY CA C 13 43.580 0.02 . . . . . . . 132 GLY CA . 50471 1 548 . 1 . 1 132 132 GLY N N 15 113.316 0.03 . . . . . . . 132 GLY N . 50471 1 549 . 1 . 1 133 133 GLU H H 1 8.657 0.01 . . . . . . . 133 GLU H . 50471 1 550 . 1 . 1 133 133 GLU CA C 13 56.640 0.00 . . . . . . . 133 GLU CA . 50471 1 551 . 1 . 1 133 133 GLU CB C 13 27.160 0.00 . . . . . . . 133 GLU CB . 50471 1 552 . 1 . 1 133 133 GLU N N 15 116.433 0.03 . . . . . . . 133 GLU N . 50471 1 553 . 1 . 1 135 135 PHE C C 13 176.435 0.01 . . . . . . . 135 PHE C . 50471 1 554 . 1 . 1 135 135 PHE CA C 13 58.288 0.02 . . . . . . . 135 PHE CA . 50471 1 555 . 1 . 1 135 135 PHE CB C 13 40.668 0.01 . . . . . . . 135 PHE CB . 50471 1 556 . 1 . 1 136 136 ASN H H 1 9.533 0.01 . . . . . . . 136 ASN H . 50471 1 557 . 1 . 1 136 136 ASN C C 13 177.955 0.01 . . . . . . . 136 ASN C . 50471 1 558 . 1 . 1 136 136 ASN CA C 13 51.984 0.03 . . . . . . . 136 ASN CA . 50471 1 559 . 1 . 1 136 136 ASN CB C 13 38.846 0.02 . . . . . . . 136 ASN CB . 50471 1 560 . 1 . 1 136 136 ASN N N 15 119.700 0.02 . . . . . . . 136 ASN N . 50471 1 561 . 1 . 1 137 137 GLU H H 1 8.575 0.01 . . . . . . . 137 GLU H . 50471 1 562 . 1 . 1 137 137 GLU C C 13 176.361 0.02 . . . . . . . 137 GLU C . 50471 1 563 . 1 . 1 137 137 GLU CA C 13 58.198 0.01 . . . . . . . 137 GLU CA . 50471 1 564 . 1 . 1 137 137 GLU CB C 13 27.718 0.01 . . . . . . . 137 GLU CB . 50471 1 565 . 1 . 1 137 137 GLU N N 15 118.603 0.01 . . . . . . . 137 GLU N . 50471 1 566 . 1 . 1 138 138 ASP H H 1 7.557 0.01 . . . . . . . 138 ASP H . 50471 1 567 . 1 . 1 138 138 ASP C C 13 177.371 0.01 . . . . . . . 138 ASP C . 50471 1 568 . 1 . 1 138 138 ASP CA C 13 52.657 0.02 . . . . . . . 138 ASP CA . 50471 1 569 . 1 . 1 138 138 ASP CB C 13 39.360 0.04 . . . . . . . 138 ASP CB . 50471 1 570 . 1 . 1 138 138 ASP N N 15 112.720 0.02 . . . . . . . 138 ASP N . 50471 1 571 . 1 . 1 139 139 GLY H H 1 7.814 0.01 . . . . . . . 139 GLY H . 50471 1 572 . 1 . 1 139 139 GLY C C 13 172.833 0.02 . . . . . . . 139 GLY C . 50471 1 573 . 1 . 1 139 139 GLY CA C 13 45.361 0.04 . . . . . . . 139 GLY CA . 50471 1 574 . 1 . 1 139 139 GLY N N 15 107.946 0.01 . . . . . . . 139 GLY N . 50471 1 575 . 1 . 1 140 140 SER H H 1 8.016 0.01 . . . . . . . 140 SER H . 50471 1 576 . 1 . 1 140 140 SER C C 13 173.703 0.01 . . . . . . . 140 SER C . 50471 1 577 . 1 . 1 140 140 SER CA C 13 57.892 0.01 . . . . . . . 140 SER CA . 50471 1 578 . 1 . 1 140 140 SER CB C 13 64.353 0.07 . . . . . . . 140 SER CB . 50471 1 579 . 1 . 1 140 140 SER N N 15 115.501 0.03 . . . . . . . 140 SER N . 50471 1 580 . 1 . 1 141 141 LEU H H 1 8.484 0.01 . . . . . . . 141 LEU H . 50471 1 581 . 1 . 1 141 141 LEU C C 13 176.303 0.03 . . . . . . . 141 LEU C . 50471 1 582 . 1 . 1 141 141 LEU CA C 13 55.003 0.01 . . . . . . . 141 LEU CA . 50471 1 583 . 1 . 1 141 141 LEU CB C 13 40.619 0.02 . . . . . . . 141 LEU CB . 50471 1 584 . 1 . 1 141 141 LEU N N 15 120.113 0.02 . . . . . . . 141 LEU N . 50471 1 585 . 1 . 1 142 142 ARG H H 1 8.627 0.01 . . . . . . . 142 ARG H . 50471 1 586 . 1 . 1 142 142 ARG C C 13 177.463 0.02 . . . . . . . 142 ARG C . 50471 1 587 . 1 . 1 142 142 ARG CA C 13 55.863 0.05 . . . . . . . 142 ARG CA . 50471 1 588 . 1 . 1 142 142 ARG CB C 13 30.894 0.01 . . . . . . . 142 ARG CB . 50471 1 589 . 1 . 1 142 142 ARG N N 15 122.302 0.01 . . . . . . . 142 ARG N . 50471 1 590 . 1 . 1 143 143 GLN H H 1 8.963 0.01 . . . . . . . 143 GLN H . 50471 1 591 . 1 . 1 143 143 GLN C C 13 175.691 0.01 . . . . . . . 143 GLN C . 50471 1 592 . 1 . 1 143 143 GLN CA C 13 55.480 0.02 . . . . . . . 143 GLN CA . 50471 1 593 . 1 . 1 143 143 GLN CB C 13 25.144 0.03 . . . . . . . 143 GLN CB . 50471 1 594 . 1 . 1 143 143 GLN N N 15 129.757 0.02 . . . . . . . 143 GLN N . 50471 1 595 . 1 . 1 144 144 ASN H H 1 7.498 0.01 . . . . . . . 144 ASN H . 50471 1 596 . 1 . 1 144 144 ASN C C 13 174.891 0.01 . . . . . . . 144 ASN C . 50471 1 597 . 1 . 1 144 144 ASN CA C 13 50.698 0.01 . . . . . . . 144 ASN CA . 50471 1 598 . 1 . 1 144 144 ASN CB C 13 39.217 0.02 . . . . . . . 144 ASN CB . 50471 1 599 . 1 . 1 144 144 ASN N N 15 120.345 0.02 . . . . . . . 144 ASN N . 50471 1 600 . 1 . 1 145 145 VAL H H 1 8.359 0.01 . . . . . . . 145 VAL H . 50471 1 601 . 1 . 1 145 145 VAL C C 13 174.302 0.03 . . . . . . . 145 VAL C . 50471 1 602 . 1 . 1 145 145 VAL CA C 13 64.478 0.01 . . . . . . . 145 VAL CA . 50471 1 603 . 1 . 1 145 145 VAL CB C 13 29.490 0.04 . . . . . . . 145 VAL CB . 50471 1 604 . 1 . 1 145 145 VAL N N 15 116.926 0.02 . . . . . . . 145 VAL N . 50471 1 605 . 1 . 1 146 146 PHE H H 1 5.863 0.01 . . . . . . . 146 PHE H . 50471 1 606 . 1 . 1 146 146 PHE C C 13 177.460 0.02 . . . . . . . 146 PHE C . 50471 1 607 . 1 . 1 146 146 PHE CA C 13 59.592 0.03 . . . . . . . 146 PHE CA . 50471 1 608 . 1 . 1 146 146 PHE CB C 13 35.768 0.04 . . . . . . . 146 PHE CB . 50471 1 609 . 1 . 1 146 146 PHE N N 15 118.229 0.03 . . . . . . . 146 PHE N . 50471 1 610 . 1 . 1 147 147 LEU H H 1 8.024 0.01 . . . . . . . 147 LEU H . 50471 1 611 . 1 . 1 147 147 LEU C C 13 179.321 0.02 . . . . . . . 147 LEU C . 50471 1 612 . 1 . 1 147 147 LEU CA C 13 57.319 0.02 . . . . . . . 147 LEU CA . 50471 1 613 . 1 . 1 147 147 LEU CB C 13 40.881 0.02 . . . . . . . 147 LEU CB . 50471 1 614 . 1 . 1 147 147 LEU N N 15 121.853 0.02 . . . . . . . 147 LEU N . 50471 1 615 . 1 . 1 148 148 ASN H H 1 8.374 0.01 . . . . . . . 148 ASN H . 50471 1 616 . 1 . 1 148 148 ASN C C 13 176.882 0.01 . . . . . . . 148 ASN C . 50471 1 617 . 1 . 1 148 148 ASN CA C 13 55.220 0.01 . . . . . . . 148 ASN CA . 50471 1 618 . 1 . 1 148 148 ASN CB C 13 37.304 0.04 . . . . . . . 148 ASN CB . 50471 1 619 . 1 . 1 148 148 ASN N N 15 115.847 0.03 . . . . . . . 148 ASN N . 50471 1 620 . 1 . 1 149 149 VAL H H 1 7.989 0.01 . . . . . . . 149 VAL H . 50471 1 621 . 1 . 1 149 149 VAL C C 13 176.706 0.03 . . . . . . . 149 VAL C . 50471 1 622 . 1 . 1 149 149 VAL CA C 13 64.183 0.00 . . . . . . . 149 VAL CA . 50471 1 623 . 1 . 1 149 149 VAL CB C 13 31.524 0.01 . . . . . . . 149 VAL CB . 50471 1 624 . 1 . 1 149 149 VAL N N 15 118.015 0.02 . . . . . . . 149 VAL N . 50471 1 625 . 1 . 1 150 150 ILE H H 1 8.157 0.01 . . . . . . . 150 ILE H . 50471 1 626 . 1 . 1 150 150 ILE C C 13 176.397 0.02 . . . . . . . 150 ILE C . 50471 1 627 . 1 . 1 150 150 ILE CA C 13 63.235 0.04 . . . . . . . 150 ILE CA . 50471 1 628 . 1 . 1 150 150 ILE CB C 13 37.177 0.03 . . . . . . . 150 ILE CB . 50471 1 629 . 1 . 1 150 150 ILE N N 15 118.681 0.02 . . . . . . . 150 ILE N . 50471 1 630 . 1 . 1 151 151 GLY H H 1 7.617 0.01 . . . . . . . 151 GLY H . 50471 1 631 . 1 . 1 151 151 GLY C C 13 175.650 0.01 . . . . . . . 151 GLY C . 50471 1 632 . 1 . 1 151 151 GLY CA C 13 43.385 0.04 . . . . . . . 151 GLY CA . 50471 1 633 . 1 . 1 151 151 GLY N N 15 109.167 0.04 . . . . . . . 151 GLY N . 50471 1 634 . 1 . 1 152 152 GLU H H 1 8.916 0.01 . . . . . . . 152 GLU H . 50471 1 635 . 1 . 1 152 152 GLU C C 13 177.056 0.01 . . . . . . . 152 GLU C . 50471 1 636 . 1 . 1 152 152 GLU CA C 13 59.484 0.01 . . . . . . . 152 GLU CA . 50471 1 637 . 1 . 1 152 152 GLU CB C 13 28.619 0.01 . . . . . . . 152 GLU CB . 50471 1 638 . 1 . 1 152 152 GLU N N 15 118.572 0.03 . . . . . . . 152 GLU N . 50471 1 639 . 1 . 1 153 153 ASP H H 1 8.736 0.01 . . . . . . . 153 ASP H . 50471 1 640 . 1 . 1 153 153 ASP C C 13 176.463 0.01 . . . . . . . 153 ASP C . 50471 1 641 . 1 . 1 153 153 ASP CA C 13 55.684 0.01 . . . . . . . 153 ASP CA . 50471 1 642 . 1 . 1 153 153 ASP CB C 13 39.743 0.01 . . . . . . . 153 ASP CB . 50471 1 643 . 1 . 1 153 153 ASP N N 15 119.276 0.02 . . . . . . . 153 ASP N . 50471 1 644 . 1 . 1 154 154 TYR H H 1 8.532 0.01 . . . . . . . 154 TYR H . 50471 1 645 . 1 . 1 154 154 TYR C C 13 174.677 0.03 . . . . . . . 154 TYR C . 50471 1 646 . 1 . 1 154 154 TYR CA C 13 60.808 0.01 . . . . . . . 154 TYR CA . 50471 1 647 . 1 . 1 154 154 TYR CB C 13 36.264 0.02 . . . . . . . 154 TYR CB . 50471 1 648 . 1 . 1 154 154 TYR N N 15 119.484 0.03 . . . . . . . 154 TYR N . 50471 1 649 . 1 . 1 155 155 ILE H H 1 6.186 0.01 . . . . . . . 155 ILE H . 50471 1 650 . 1 . 1 155 155 ILE C C 13 174.503 0.00 . . . . . . . 155 ILE C . 50471 1 651 . 1 . 1 155 155 ILE CA C 13 66.610 0.00 . . . . . . . 155 ILE CA . 50471 1 652 . 1 . 1 155 155 ILE CB C 13 35.885 0.00 . . . . . . . 155 ILE CB . 50471 1 653 . 1 . 1 155 155 ILE N N 15 119.328 0.03 . . . . . . . 155 ILE N . 50471 1 654 . 1 . 1 156 156 PRO C C 13 178.243 0.02 . . . . . . . 156 PRO C . 50471 1 655 . 1 . 1 156 156 PRO CA C 13 66.287 0.01 . . . . . . . 156 PRO CA . 50471 1 656 . 1 . 1 156 156 PRO CB C 13 30.136 0.03 . . . . . . . 156 PRO CB . 50471 1 657 . 1 . 1 157 157 ILE H H 1 8.087 0.01 . . . . . . . 157 ILE H . 50471 1 658 . 1 . 1 157 157 ILE C C 13 179.697 0.04 . . . . . . . 157 ILE C . 50471 1 659 . 1 . 1 157 157 ILE CA C 13 65.086 0.01 . . . . . . . 157 ILE CA . 50471 1 660 . 1 . 1 157 157 ILE CB C 13 37.948 0.01 . . . . . . . 157 ILE CB . 50471 1 661 . 1 . 1 157 157 ILE N N 15 115.907 0.04 . . . . . . . 157 ILE N . 50471 1 662 . 1 . 1 158 158 ALA H H 1 8.386 0.01 . . . . . . . 158 ALA H . 50471 1 663 . 1 . 1 158 158 ALA C C 13 179.044 0.02 . . . . . . . 158 ALA C . 50471 1 664 . 1 . 1 158 158 ALA CA C 13 55.721 0.01 . . . . . . . 158 ALA CA . 50471 1 665 . 1 . 1 158 158 ALA CB C 13 16.895 0.01 . . . . . . . 158 ALA CB . 50471 1 666 . 1 . 1 158 158 ALA N N 15 126.836 0.02 . . . . . . . 158 ALA N . 50471 1 667 . 1 . 1 159 159 PHE H H 1 7.714 0.01 . . . . . . . 159 PHE H . 50471 1 668 . 1 . 1 159 159 PHE C C 13 177.619 0.02 . . . . . . . 159 PHE C . 50471 1 669 . 1 . 1 159 159 PHE CA C 13 63.827 0.03 . . . . . . . 159 PHE CA . 50471 1 670 . 1 . 1 159 159 PHE CB C 13 38.152 0.01 . . . . . . . 159 PHE CB . 50471 1 671 . 1 . 1 159 159 PHE N N 15 114.156 0.01 . . . . . . . 159 PHE N . 50471 1 672 . 1 . 1 160 160 GLN H H 1 8.692 0.01 . . . . . . . 160 GLN H . 50471 1 673 . 1 . 1 160 160 GLN C C 13 179.578 0.02 . . . . . . . 160 GLN C . 50471 1 674 . 1 . 1 160 160 GLN CA C 13 58.895 0.04 . . . . . . . 160 GLN CA . 50471 1 675 . 1 . 1 160 160 GLN CB C 13 27.229 0.04 . . . . . . . 160 GLN CB . 50471 1 676 . 1 . 1 160 160 GLN N N 15 118.396 0.04 . . . . . . . 160 GLN N . 50471 1 677 . 1 . 1 161 161 THR H H 1 8.097 0.01 . . . . . . . 161 THR H . 50471 1 678 . 1 . 1 161 161 THR C C 13 175.843 0.03 . . . . . . . 161 THR C . 50471 1 679 . 1 . 1 161 161 THR CA C 13 66.209 0.01 . . . . . . . 161 THR CA . 50471 1 680 . 1 . 1 161 161 THR CB C 13 68.049 0.01 . . . . . . . 161 THR CB . 50471 1 681 . 1 . 1 161 161 THR N N 15 117.091 0.04 . . . . . . . 161 THR N . 50471 1 682 . 1 . 1 162 162 ALA H H 1 7.903 0.01 . . . . . . . 162 ALA H . 50471 1 683 . 1 . 1 162 162 ALA C C 13 177.651 0.01 . . . . . . . 162 ALA C . 50471 1 684 . 1 . 1 162 162 ALA CA C 13 54.378 0.01 . . . . . . . 162 ALA CA . 50471 1 685 . 1 . 1 162 162 ALA CB C 13 19.816 0.00 . . . . . . . 162 ALA CB . 50471 1 686 . 1 . 1 162 162 ALA N N 15 126.777 0.01 . . . . . . . 162 ALA N . 50471 1 687 . 1 . 1 163 163 ARG H H 1 8.084 0.01 . . . . . . . 163 ARG H . 50471 1 688 . 1 . 1 163 163 ARG C C 13 177.350 0.02 . . . . . . . 163 ARG C . 50471 1 689 . 1 . 1 163 163 ARG CA C 13 57.095 0.04 . . . . . . . 163 ARG CA . 50471 1 690 . 1 . 1 163 163 ARG CB C 13 28.463 0.05 . . . . . . . 163 ARG CB . 50471 1 691 . 1 . 1 163 163 ARG N N 15 118.696 0.03 . . . . . . . 163 ARG N . 50471 1 692 . 1 . 1 164 164 ALA H H 1 6.936 0.01 . . . . . . . 164 ALA H . 50471 1 693 . 1 . 1 164 164 ALA C C 13 178.904 0.02 . . . . . . . 164 ALA C . 50471 1 694 . 1 . 1 164 164 ALA CA C 13 53.075 0.02 . . . . . . . 164 ALA CA . 50471 1 695 . 1 . 1 164 164 ALA CB C 13 17.522 0.05 . . . . . . . 164 ALA CB . 50471 1 696 . 1 . 1 164 164 ALA N N 15 116.697 0.02 . . . . . . . 164 ALA N . 50471 1 697 . 1 . 1 165 165 ALA H H 1 7.384 0.01 . . . . . . . 165 ALA H . 50471 1 698 . 1 . 1 165 165 ALA C C 13 178.327 0.03 . . . . . . . 165 ALA C . 50471 1 699 . 1 . 1 165 165 ALA CA C 13 53.687 0.04 . . . . . . . 165 ALA CA . 50471 1 700 . 1 . 1 165 165 ALA CB C 13 19.431 0.06 . . . . . . . 165 ALA CB . 50471 1 701 . 1 . 1 165 165 ALA N N 15 120.238 0.03 . . . . . . . 165 ALA N . 50471 1 702 . 1 . 1 166 166 ASP H H 1 7.153 0.01 . . . . . . . 166 ASP H . 50471 1 703 . 1 . 1 166 166 ASP C C 13 174.344 0.01 . . . . . . . 166 ASP C . 50471 1 704 . 1 . 1 166 166 ASP CA C 13 51.317 0.01 . . . . . . . 166 ASP CA . 50471 1 705 . 1 . 1 166 166 ASP CB C 13 40.596 0.07 . . . . . . . 166 ASP CB . 50471 1 706 . 1 . 1 166 166 ASP N N 15 108.088 0.03 . . . . . . . 166 ASP N . 50471 1 707 . 1 . 1 167 167 PRO C C 13 176.360 0.02 . . . . . . . 167 PRO C . 50471 1 708 . 1 . 1 167 167 PRO CA C 13 63.769 0.01 . . . . . . . 167 PRO CA . 50471 1 709 . 1 . 1 167 167 PRO CB C 13 31.584 0.02 . . . . . . . 167 PRO CB . 50471 1 710 . 1 . 1 168 168 ASN H H 1 7.866 0.01 . . . . . . . 168 ASN H . 50471 1 711 . 1 . 1 168 168 ASN C C 13 175.652 0.01 . . . . . . . 168 ASN C . 50471 1 712 . 1 . 1 168 168 ASN CA C 13 53.874 0.01 . . . . . . . 168 ASN CA . 50471 1 713 . 1 . 1 168 168 ASN CB C 13 39.652 0.01 . . . . . . . 168 ASN CB . 50471 1 714 . 1 . 1 168 168 ASN N N 15 114.548 0.02 . . . . . . . 168 ASN N . 50471 1 715 . 1 . 1 169 169 ALA H H 1 6.916 0.01 . . . . . . . 169 ALA H . 50471 1 716 . 1 . 1 169 169 ALA C C 13 177.375 0.01 . . . . . . . 169 ALA C . 50471 1 717 . 1 . 1 169 169 ALA CA C 13 51.656 0.01 . . . . . . . 169 ALA CA . 50471 1 718 . 1 . 1 169 169 ALA CB C 13 19.582 0.04 . . . . . . . 169 ALA CB . 50471 1 719 . 1 . 1 169 169 ALA N N 15 121.541 0.02 . . . . . . . 169 ALA N . 50471 1 720 . 1 . 1 170 170 LYS H H 1 8.720 0.01 . . . . . . . 170 LYS H . 50471 1 721 . 1 . 1 170 170 LYS C C 13 176.089 0.01 . . . . . . . 170 LYS C . 50471 1 722 . 1 . 1 170 170 LYS CA C 13 53.714 0.01 . . . . . . . 170 LYS CA . 50471 1 723 . 1 . 1 170 170 LYS CB C 13 31.725 0.02 . . . . . . . 170 LYS CB . 50471 1 724 . 1 . 1 170 170 LYS N N 15 122.230 0.04 . . . . . . . 170 LYS N . 50471 1 725 . 1 . 1 171 171 LEU H H 1 10.551 0.01 . . . . . . . 171 LEU H . 50471 1 726 . 1 . 1 171 171 LEU C C 13 177.223 0.00 . . . . . . . 171 LEU C . 50471 1 727 . 1 . 1 171 171 LEU CA C 13 54.000 0.01 . . . . . . . 171 LEU CA . 50471 1 728 . 1 . 1 171 171 LEU CB C 13 40.581 0.00 . . . . . . . 171 LEU CB . 50471 1 729 . 1 . 1 171 171 LEU N N 15 125.671 0.01 . . . . . . . 171 LEU N . 50471 1 730 . 1 . 1 172 172 TYR H H 1 10.000 0.01 . . . . . . . 172 TYR H . 50471 1 731 . 1 . 1 172 172 TYR C C 13 176.772 0.02 . . . . . . . 172 TYR C . 50471 1 732 . 1 . 1 172 172 TYR CA C 13 56.387 0.01 . . . . . . . 172 TYR CA . 50471 1 733 . 1 . 1 172 172 TYR CB C 13 40.582 0.03 . . . . . . . 172 TYR CB . 50471 1 734 . 1 . 1 172 172 TYR N N 15 128.025 0.04 . . . . . . . 172 TYR N . 50471 1 735 . 1 . 1 173 173 ILE H H 1 8.348 0.01 . . . . . . . 173 ILE H . 50471 1 736 . 1 . 1 173 173 ILE C C 13 172.920 0.00 . . . . . . . 173 ILE C . 50471 1 737 . 1 . 1 173 173 ILE CA C 13 58.301 0.00 . . . . . . . 173 ILE CA . 50471 1 738 . 1 . 1 173 173 ILE CB C 13 41.522 0.00 . . . . . . . 173 ILE CB . 50471 1 739 . 1 . 1 173 173 ILE N N 15 119.599 0.02 . . . . . . . 173 ILE N . 50471 1 740 . 1 . 1 175 175 ASP C C 13 173.352 0.02 . . . . . . . 175 ASP C . 50471 1 741 . 1 . 1 175 175 ASP CA C 13 53.544 0.01 . . . . . . . 175 ASP CA . 50471 1 742 . 1 . 1 175 175 ASP CB C 13 46.899 0.05 . . . . . . . 175 ASP CB . 50471 1 743 . 1 . 1 176 176 TYR H H 1 9.987 0.00 . . . . . . . 176 TYR H . 50471 1 744 . 1 . 1 176 176 TYR C C 13 176.282 0.02 . . . . . . . 176 TYR C . 50471 1 745 . 1 . 1 176 176 TYR CA C 13 54.600 0.02 . . . . . . . 176 TYR CA . 50471 1 746 . 1 . 1 176 176 TYR CB C 13 40.582 0.04 . . . . . . . 176 TYR CB . 50471 1 747 . 1 . 1 176 176 TYR N N 15 117.793 0.04 . . . . . . . 176 TYR N . 50471 1 748 . 1 . 1 177 177 ASN H H 1 9.237 0.02 . . . . . . . 177 ASN H . 50471 1 749 . 1 . 1 177 177 ASN C C 13 173.943 0.00 . . . . . . . 177 ASN C . 50471 1 750 . 1 . 1 177 177 ASN CA C 13 53.778 0.00 . . . . . . . 177 ASN CA . 50471 1 751 . 1 . 1 177 177 ASN CB C 13 35.803 0.00 . . . . . . . 177 ASN CB . 50471 1 752 . 1 . 1 177 177 ASN N N 15 119.161 0.04 . . . . . . . 177 ASN N . 50471 1 753 . 1 . 1 180 180 SER C C 13 176.587 0.01 . . . . . . . 180 SER C . 50471 1 754 . 1 . 1 180 180 SER CA C 13 54.194 0.03 . . . . . . . 180 SER CA . 50471 1 755 . 1 . 1 180 180 SER CB C 13 62.771 0.00 . . . . . . . 180 SER CB . 50471 1 756 . 1 . 1 181 181 ALA H H 1 9.600 0.01 . . . . . . . 181 ALA H . 50471 1 757 . 1 . 1 181 181 ALA C C 13 176.773 0.02 . . . . . . . 181 ALA C . 50471 1 758 . 1 . 1 181 181 ALA CA C 13 53.525 0.01 . . . . . . . 181 ALA CA . 50471 1 759 . 1 . 1 181 181 ALA CB C 13 17.616 0.03 . . . . . . . 181 ALA CB . 50471 1 760 . 1 . 1 181 181 ALA N N 15 131.833 0.03 . . . . . . . 181 ALA N . 50471 1 761 . 1 . 1 182 182 SER H H 1 7.846 0.01 . . . . . . . 182 SER H . 50471 1 762 . 1 . 1 182 182 SER C C 13 173.901 0.02 . . . . . . . 182 SER C . 50471 1 763 . 1 . 1 182 182 SER CA C 13 57.527 0.04 . . . . . . . 182 SER CA . 50471 1 764 . 1 . 1 182 182 SER CB C 13 63.305 0.08 . . . . . . . 182 SER CB . 50471 1 765 . 1 . 1 182 182 SER N N 15 110.342 0.07 . . . . . . . 182 SER N . 50471 1 766 . 1 . 1 183 183 TYR H H 1 6.972 0.01 . . . . . . . 183 TYR H . 50471 1 767 . 1 . 1 183 183 TYR C C 13 176.072 0.00 . . . . . . . 183 TYR C . 50471 1 768 . 1 . 1 183 183 TYR CA C 13 54.091 0.02 . . . . . . . 183 TYR CA . 50471 1 769 . 1 . 1 183 183 TYR CB C 13 39.003 0.02 . . . . . . . 183 TYR CB . 50471 1 770 . 1 . 1 183 183 TYR N N 15 125.698 0.05 . . . . . . . 183 TYR N . 50471 1 771 . 1 . 1 184 184 PRO C C 13 178.743 0.00 . . . . . . . 184 PRO C . 50471 1 772 . 1 . 1 184 184 PRO CA C 13 64.793 0.00 . . . . . . . 184 PRO CA . 50471 1 773 . 1 . 1 184 184 PRO CB C 13 31.076 0.00 . . . . . . . 184 PRO CB . 50471 1 774 . 1 . 1 185 185 LYS H H 1 6.497 0.01 . . . . . . . 185 LYS H . 50471 1 775 . 1 . 1 185 185 LYS C C 13 175.854 0.02 . . . . . . . 185 LYS C . 50471 1 776 . 1 . 1 185 185 LYS CA C 13 60.392 0.01 . . . . . . . 185 LYS CA . 50471 1 777 . 1 . 1 185 185 LYS CB C 13 34.600 0.06 . . . . . . . 185 LYS CB . 50471 1 778 . 1 . 1 185 185 LYS N N 15 118.358 0.02 . . . . . . . 185 LYS N . 50471 1 779 . 1 . 1 186 186 THR H H 1 7.122 0.01 . . . . . . . 186 THR H . 50471 1 780 . 1 . 1 186 186 THR C C 13 175.226 0.00 . . . . . . . 186 THR C . 50471 1 781 . 1 . 1 186 186 THR CA C 13 64.791 0.01 . . . . . . . 186 THR CA . 50471 1 782 . 1 . 1 186 186 THR CB C 13 67.664 0.05 . . . . . . . 186 THR CB . 50471 1 783 . 1 . 1 186 186 THR N N 15 113.181 0.03 . . . . . . . 186 THR N . 50471 1 784 . 1 . 1 187 187 GLN H H 1 6.958 0.01 . . . . . . . 187 GLN H . 50471 1 785 . 1 . 1 187 187 GLN C C 13 177.907 0.01 . . . . . . . 187 GLN C . 50471 1 786 . 1 . 1 187 187 GLN CA C 13 57.646 0.01 . . . . . . . 187 GLN CA . 50471 1 787 . 1 . 1 187 187 GLN CB C 13 27.733 0.03 . . . . . . . 187 GLN CB . 50471 1 788 . 1 . 1 187 187 GLN N N 15 116.055 0.03 . . . . . . . 187 GLN N . 50471 1 789 . 1 . 1 188 188 ALA H H 1 7.910 0.01 . . . . . . . 188 ALA H . 50471 1 790 . 1 . 1 188 188 ALA C C 13 179.687 0.03 . . . . . . . 188 ALA C . 50471 1 791 . 1 . 1 188 188 ALA CA C 13 54.473 0.01 . . . . . . . 188 ALA CA . 50471 1 792 . 1 . 1 188 188 ALA CB C 13 19.728 0.04 . . . . . . . 188 ALA CB . 50471 1 793 . 1 . 1 188 188 ALA N N 15 121.142 0.03 . . . . . . . 188 ALA N . 50471 1 794 . 1 . 1 189 189 ILE H H 1 7.681 0.01 . . . . . . . 189 ILE H . 50471 1 795 . 1 . 1 189 189 ILE C C 13 176.453 0.06 . . . . . . . 189 ILE C . 50471 1 796 . 1 . 1 189 189 ILE CA C 13 64.967 0.01 . . . . . . . 189 ILE CA . 50471 1 797 . 1 . 1 189 189 ILE CB C 13 36.262 0.04 . . . . . . . 189 ILE CB . 50471 1 798 . 1 . 1 189 189 ILE N N 15 118.237 0.04 . . . . . . . 189 ILE N . 50471 1 799 . 1 . 1 190 190 VAL H H 1 6.705 0.01 . . . . . . . 190 VAL H . 50471 1 800 . 1 . 1 190 190 VAL C C 13 177.036 0.02 . . . . . . . 190 VAL C . 50471 1 801 . 1 . 1 190 190 VAL CA C 13 66.523 0.04 . . . . . . . 190 VAL CA . 50471 1 802 . 1 . 1 190 190 VAL CB C 13 30.863 0.04 . . . . . . . 190 VAL CB . 50471 1 803 . 1 . 1 190 190 VAL N N 15 122.434 0.02 . . . . . . . 190 VAL N . 50471 1 804 . 1 . 1 191 191 ASN H H 1 7.663 0.01 . . . . . . . 191 ASN H . 50471 1 805 . 1 . 1 191 191 ASN C C 13 178.550 0.01 . . . . . . . 191 ASN C . 50471 1 806 . 1 . 1 191 191 ASN CA C 13 55.920 0.01 . . . . . . . 191 ASN CA . 50471 1 807 . 1 . 1 191 191 ASN CB C 13 37.691 0.03 . . . . . . . 191 ASN CB . 50471 1 808 . 1 . 1 191 191 ASN N N 15 117.100 0.02 . . . . . . . 191 ASN N . 50471 1 809 . 1 . 1 192 192 ARG H H 1 8.565 0.01 . . . . . . . 192 ARG H . 50471 1 810 . 1 . 1 192 192 ARG C C 13 178.547 0.04 . . . . . . . 192 ARG C . 50471 1 811 . 1 . 1 192 192 ARG CA C 13 56.991 0.01 . . . . . . . 192 ARG CA . 50471 1 812 . 1 . 1 192 192 ARG CB C 13 27.791 0.02 . . . . . . . 192 ARG CB . 50471 1 813 . 1 . 1 192 192 ARG N N 15 118.594 0.02 . . . . . . . 192 ARG N . 50471 1 814 . 1 . 1 193 193 VAL H H 1 8.610 0.01 . . . . . . . 193 VAL H . 50471 1 815 . 1 . 1 193 193 VAL C C 13 177.961 0.02 . . . . . . . 193 VAL C . 50471 1 816 . 1 . 1 193 193 VAL CA C 13 67.380 0.04 . . . . . . . 193 VAL CA . 50471 1 817 . 1 . 1 193 193 VAL CB C 13 29.858 0.01 . . . . . . . 193 VAL CB . 50471 1 818 . 1 . 1 193 193 VAL N N 15 120.243 0.03 . . . . . . . 193 VAL N . 50471 1 819 . 1 . 1 194 194 LYS H H 1 8.160 0.01 . . . . . . . 194 LYS H . 50471 1 820 . 1 . 1 194 194 LYS C C 13 180.108 0.02 . . . . . . . 194 LYS C . 50471 1 821 . 1 . 1 194 194 LYS CA C 13 60.407 0.04 . . . . . . . 194 LYS CA . 50471 1 822 . 1 . 1 194 194 LYS CB C 13 31.732 0.03 . . . . . . . 194 LYS CB . 50471 1 823 . 1 . 1 194 194 LYS N N 15 120.616 0.04 . . . . . . . 194 LYS N . 50471 1 824 . 1 . 1 195 195 GLN H H 1 7.483 0.01 . . . . . . . 195 GLN H . 50471 1 825 . 1 . 1 195 195 GLN C C 13 179.714 0.04 . . . . . . . 195 GLN C . 50471 1 826 . 1 . 1 195 195 GLN CA C 13 58.575 0.01 . . . . . . . 195 GLN CA . 50471 1 827 . 1 . 1 195 195 GLN CB C 13 27.640 0.03 . . . . . . . 195 GLN CB . 50471 1 828 . 1 . 1 195 195 GLN N N 15 119.653 0.02 . . . . . . . 195 GLN N . 50471 1 829 . 1 . 1 196 196 TRP H H 1 8.997 0.01 . . . . . . . 196 TRP H . 50471 1 830 . 1 . 1 196 196 TRP C C 13 179.528 0.01 . . . . . . . 196 TRP C . 50471 1 831 . 1 . 1 196 196 TRP CA C 13 60.387 0.01 . . . . . . . 196 TRP CA . 50471 1 832 . 1 . 1 196 196 TRP CB C 13 27.341 0.03 . . . . . . . 196 TRP CB . 50471 1 833 . 1 . 1 196 196 TRP N N 15 122.115 0.02 . . . . . . . 196 TRP N . 50471 1 834 . 1 . 1 197 197 ARG H H 1 9.008 0.01 . . . . . . . 197 ARG H . 50471 1 835 . 1 . 1 197 197 ARG C C 13 181.171 0.01 . . . . . . . 197 ARG C . 50471 1 836 . 1 . 1 197 197 ARG CA C 13 59.788 0.04 . . . . . . . 197 ARG CA . 50471 1 837 . 1 . 1 197 197 ARG CB C 13 28.534 0.04 . . . . . . . 197 ARG CB . 50471 1 838 . 1 . 1 197 197 ARG N N 15 119.483 0.02 . . . . . . . 197 ARG N . 50471 1 839 . 1 . 1 198 198 ALA H H 1 7.991 0.01 . . . . . . . 198 ALA H . 50471 1 840 . 1 . 1 198 198 ALA C C 13 178.590 0.01 . . . . . . . 198 ALA C . 50471 1 841 . 1 . 1 198 198 ALA CA C 13 54.356 0.01 . . . . . . . 198 ALA CA . 50471 1 842 . 1 . 1 198 198 ALA CB C 13 16.833 0.02 . . . . . . . 198 ALA CB . 50471 1 843 . 1 . 1 198 198 ALA N N 15 124.056 0.03 . . . . . . . 198 ALA N . 50471 1 844 . 1 . 1 199 199 ALA H H 1 7.433 0.01 . . . . . . . 199 ALA H . 50471 1 845 . 1 . 1 199 199 ALA C C 13 177.617 0.02 . . . . . . . 199 ALA C . 50471 1 846 . 1 . 1 199 199 ALA CA C 13 51.392 0.01 . . . . . . . 199 ALA CA . 50471 1 847 . 1 . 1 199 199 ALA CB C 13 17.975 0.08 . . . . . . . 199 ALA CB . 50471 1 848 . 1 . 1 199 199 ALA N N 15 119.985 0.02 . . . . . . . 199 ALA N . 50471 1 849 . 1 . 1 200 200 GLY H H 1 7.855 0.01 . . . . . . . 200 GLY H . 50471 1 850 . 1 . 1 200 200 GLY C C 13 174.702 0.02 . . . . . . . 200 GLY C . 50471 1 851 . 1 . 1 200 200 GLY CA C 13 44.738 0.03 . . . . . . . 200 GLY CA . 50471 1 852 . 1 . 1 200 200 GLY N N 15 107.419 0.02 . . . . . . . 200 GLY N . 50471 1 853 . 1 . 1 201 201 VAL H H 1 8.184 0.01 . . . . . . . 201 VAL H . 50471 1 854 . 1 . 1 201 201 VAL C C 13 176.565 0.01 . . . . . . . 201 VAL C . 50471 1 855 . 1 . 1 201 201 VAL CA C 13 60.385 0.01 . . . . . . . 201 VAL CA . 50471 1 856 . 1 . 1 201 201 VAL CB C 13 31.586 0.02 . . . . . . . 201 VAL CB . 50471 1 857 . 1 . 1 201 201 VAL N N 15 124.596 0.02 . . . . . . . 201 VAL N . 50471 1 858 . 1 . 1 202 202 PRO C C 13 177.184 0.00 . . . . . . . 202 PRO C . 50471 1 859 . 1 . 1 202 202 PRO CA C 13 64.481 0.00 . . . . . . . 202 PRO CA . 50471 1 860 . 1 . 1 202 202 PRO CB C 13 30.890 0.00 . . . . . . . 202 PRO CB . 50471 1 861 . 1 . 1 203 203 ILE H H 1 6.553 0.01 . . . . . . . 203 ILE H . 50471 1 862 . 1 . 1 203 203 ILE C C 13 172.447 0.03 . . . . . . . 203 ILE C . 50471 1 863 . 1 . 1 203 203 ILE CA C 13 56.940 0.01 . . . . . . . 203 ILE CA . 50471 1 864 . 1 . 1 203 203 ILE CB C 13 39.396 0.05 . . . . . . . 203 ILE CB . 50471 1 865 . 1 . 1 203 203 ILE N N 15 109.862 0.03 . . . . . . . 203 ILE N . 50471 1 866 . 1 . 1 204 204 ASP H H 1 9.954 0.02 . . . . . . . 204 ASP H . 50471 1 867 . 1 . 1 204 204 ASP C C 13 177.387 0.04 . . . . . . . 204 ASP C . 50471 1 868 . 1 . 1 204 204 ASP CA C 13 57.346 0.00 . . . . . . . 204 ASP CA . 50471 1 869 . 1 . 1 204 204 ASP CB C 13 41.512 0.06 . . . . . . . 204 ASP CB . 50471 1 870 . 1 . 1 204 204 ASP N N 15 122.876 0.03 . . . . . . . 204 ASP N . 50471 1 871 . 1 . 1 205 205 GLY H H 1 10.960 0.02 . . . . . . . 205 GLY H . 50471 1 872 . 1 . 1 205 205 GLY C C 13 171.981 0.01 . . . . . . . 205 GLY C . 50471 1 873 . 1 . 1 205 205 GLY CA C 13 44.830 0.03 . . . . . . . 205 GLY CA . 50471 1 874 . 1 . 1 205 205 GLY N N 15 116.826 0.03 . . . . . . . 205 GLY N . 50471 1 875 . 1 . 1 206 206 ILE H H 1 8.514 0.01 . . . . . . . 206 ILE H . 50471 1 876 . 1 . 1 206 206 ILE C C 13 171.694 0.00 . . . . . . . 206 ILE C . 50471 1 877 . 1 . 1 206 206 ILE CA C 13 59.407 0.02 . . . . . . . 206 ILE CA . 50471 1 878 . 1 . 1 206 206 ILE CB C 13 33.632 0.00 . . . . . . . 206 ILE CB . 50471 1 879 . 1 . 1 206 206 ILE N N 15 119.195 0.02 . . . . . . . 206 ILE N . 50471 1 880 . 1 . 1 207 207 GLY C C 13 171.743 0.03 . . . . . . . 207 GLY C . 50471 1 881 . 1 . 1 207 207 GLY CA C 13 43.613 0.07 . . . . . . . 207 GLY CA . 50471 1 882 . 1 . 1 208 208 SER H H 1 8.248 0.01 . . . . . . . 208 SER H . 50471 1 883 . 1 . 1 208 208 SER C C 13 174.505 0.00 . . . . . . . 208 SER C . 50471 1 884 . 1 . 1 208 208 SER CA C 13 55.504 0.01 . . . . . . . 208 SER CA . 50471 1 885 . 1 . 1 208 208 SER CB C 13 63.156 0.00 . . . . . . . 208 SER CB . 50471 1 886 . 1 . 1 208 208 SER N N 15 119.484 0.05 . . . . . . . 208 SER N . 50471 1 887 . 1 . 1 211 211 HIS C C 13 174.663 0.01 . . . . . . . 211 HIS C . 50471 1 888 . 1 . 1 211 211 HIS CA C 13 53.100 0.01 . . . . . . . 211 HIS CA . 50471 1 889 . 1 . 1 211 211 HIS CB C 13 27.403 0.00 . . . . . . . 211 HIS CB . 50471 1 890 . 1 . 1 212 212 LEU H H 1 8.196 0.00 . . . . . . . 212 LEU H . 50471 1 891 . 1 . 1 212 212 LEU C C 13 178.048 0.01 . . . . . . . 212 LEU C . 50471 1 892 . 1 . 1 212 212 LEU CA C 13 54.175 0.02 . . . . . . . 212 LEU CA . 50471 1 893 . 1 . 1 212 212 LEU CB C 13 42.717 0.05 . . . . . . . 212 LEU CB . 50471 1 894 . 1 . 1 212 212 LEU N N 15 123.665 0.05 . . . . . . . 212 LEU N . 50471 1 895 . 1 . 1 213 213 SER H H 1 8.756 0.01 . . . . . . . 213 SER H . 50471 1 896 . 1 . 1 213 213 SER C C 13 172.865 0.01 . . . . . . . 213 SER C . 50471 1 897 . 1 . 1 213 213 SER CA C 13 56.954 0.01 . . . . . . . 213 SER CA . 50471 1 898 . 1 . 1 213 213 SER CB C 13 63.759 0.06 . . . . . . . 213 SER CB . 50471 1 899 . 1 . 1 213 213 SER N N 15 119.495 0.05 . . . . . . . 213 SER N . 50471 1 900 . 1 . 1 214 214 ALA H H 1 8.329 0.01 . . . . . . . 214 ALA H . 50471 1 901 . 1 . 1 214 214 ALA C C 13 179.537 0.01 . . . . . . . 214 ALA C . 50471 1 902 . 1 . 1 214 214 ALA CA C 13 53.761 0.01 . . . . . . . 214 ALA CA . 50471 1 903 . 1 . 1 214 214 ALA CB C 13 17.317 0.05 . . . . . . . 214 ALA CB . 50471 1 904 . 1 . 1 214 214 ALA N N 15 124.226 0.03 . . . . . . . 214 ALA N . 50471 1 905 . 1 . 1 215 215 GLY H H 1 10.312 0.01 . . . . . . . 215 GLY H . 50471 1 906 . 1 . 1 215 215 GLY C C 13 176.466 0.02 . . . . . . . 215 GLY C . 50471 1 907 . 1 . 1 215 215 GLY CA C 13 44.995 0.03 . . . . . . . 215 GLY CA . 50471 1 908 . 1 . 1 215 215 GLY N N 15 115.118 0.01 . . . . . . . 215 GLY N . 50471 1 909 . 1 . 1 216 216 GLN H H 1 7.710 0.01 . . . . . . . 216 GLN H . 50471 1 910 . 1 . 1 216 216 GLN C C 13 178.038 0.02 . . . . . . . 216 GLN C . 50471 1 911 . 1 . 1 216 216 GLN CA C 13 56.879 0.03 . . . . . . . 216 GLN CA . 50471 1 912 . 1 . 1 216 216 GLN CB C 13 30.104 0.02 . . . . . . . 216 GLN CB . 50471 1 913 . 1 . 1 216 216 GLN N N 15 117.368 0.05 . . . . . . . 216 GLN N . 50471 1 914 . 1 . 1 217 217 GLY H H 1 8.879 0.01 . . . . . . . 217 GLY H . 50471 1 915 . 1 . 1 217 217 GLY C C 13 175.208 0.02 . . . . . . . 217 GLY C . 50471 1 916 . 1 . 1 217 217 GLY CA C 13 47.374 0.02 . . . . . . . 217 GLY CA . 50471 1 917 . 1 . 1 217 217 GLY N N 15 109.171 0.07 . . . . . . . 217 GLY N . 50471 1 918 . 1 . 1 218 218 ALA H H 1 7.817 0.01 . . . . . . . 218 ALA H . 50471 1 919 . 1 . 1 218 218 ALA C C 13 180.806 0.01 . . . . . . . 218 ALA C . 50471 1 920 . 1 . 1 218 218 ALA CA C 13 54.811 0.02 . . . . . . . 218 ALA CA . 50471 1 921 . 1 . 1 218 218 ALA CB C 13 16.907 0.04 . . . . . . . 218 ALA CB . 50471 1 922 . 1 . 1 218 218 ALA N N 15 122.377 0.03 . . . . . . . 218 ALA N . 50471 1 923 . 1 . 1 219 219 GLY H H 1 7.902 0.01 . . . . . . . 219 GLY H . 50471 1 924 . 1 . 1 219 219 GLY C C 13 177.781 0.02 . . . . . . . 219 GLY C . 50471 1 925 . 1 . 1 219 219 GLY CA C 13 46.321 0.04 . . . . . . . 219 GLY CA . 50471 1 926 . 1 . 1 219 219 GLY N N 15 105.671 0.01 . . . . . . . 219 GLY N . 50471 1 927 . 1 . 1 220 220 VAL H H 1 7.738 0.01 . . . . . . . 220 VAL H . 50471 1 928 . 1 . 1 220 220 VAL C C 13 176.716 0.02 . . . . . . . 220 VAL C . 50471 1 929 . 1 . 1 220 220 VAL CA C 13 65.418 0.02 . . . . . . . 220 VAL CA . 50471 1 930 . 1 . 1 220 220 VAL CB C 13 30.534 0.02 . . . . . . . 220 VAL CB . 50471 1 931 . 1 . 1 220 220 VAL N N 15 123.543 0.02 . . . . . . . 220 VAL N . 50471 1 932 . 1 . 1 221 221 LEU H H 1 7.162 0.01 . . . . . . . 221 LEU H . 50471 1 933 . 1 . 1 221 221 LEU C C 13 178.081 0.01 . . . . . . . 221 LEU C . 50471 1 934 . 1 . 1 221 221 LEU CA C 13 57.692 0.01 . . . . . . . 221 LEU CA . 50471 1 935 . 1 . 1 221 221 LEU CB C 13 40.578 0.02 . . . . . . . 221 LEU CB . 50471 1 936 . 1 . 1 221 221 LEU N N 15 117.695 0.04 . . . . . . . 221 LEU N . 50471 1 937 . 1 . 1 222 222 GLN H H 1 6.957 0.01 . . . . . . . 222 GLN H . 50471 1 938 . 1 . 1 222 222 GLN C C 13 178.065 0.03 . . . . . . . 222 GLN C . 50471 1 939 . 1 . 1 222 222 GLN CA C 13 56.130 0.01 . . . . . . . 222 GLN CA . 50471 1 940 . 1 . 1 222 222 GLN CB C 13 28.911 0.02 . . . . . . . 222 GLN CB . 50471 1 941 . 1 . 1 222 222 GLN N N 15 111.945 0.03 . . . . . . . 222 GLN N . 50471 1 942 . 1 . 1 223 223 ALA H H 1 7.978 0.01 . . . . . . . 223 ALA H . 50471 1 943 . 1 . 1 223 223 ALA C C 13 178.107 0.01 . . . . . . . 223 ALA C . 50471 1 944 . 1 . 1 223 223 ALA CA C 13 54.934 0.01 . . . . . . . 223 ALA CA . 50471 1 945 . 1 . 1 223 223 ALA CB C 13 18.713 0.06 . . . . . . . 223 ALA CB . 50471 1 946 . 1 . 1 223 223 ALA N N 15 124.825 0.04 . . . . . . . 223 ALA N . 50471 1 947 . 1 . 1 224 224 LEU H H 1 8.494 0.01 . . . . . . . 224 LEU H . 50471 1 948 . 1 . 1 224 224 LEU C C 13 176.040 0.00 . . . . . . . 224 LEU C . 50471 1 949 . 1 . 1 224 224 LEU CA C 13 58.969 0.02 . . . . . . . 224 LEU CA . 50471 1 950 . 1 . 1 224 224 LEU CB C 13 38.840 0.08 . . . . . . . 224 LEU CB . 50471 1 951 . 1 . 1 224 224 LEU N N 15 118.721 0.03 . . . . . . . 224 LEU N . 50471 1 952 . 1 . 1 225 225 PRO C C 13 179.363 0.03 . . . . . . . 225 PRO C . 50471 1 953 . 1 . 1 225 225 PRO CA C 13 65.557 0.01 . . . . . . . 225 PRO CA . 50471 1 954 . 1 . 1 225 225 PRO CB C 13 29.580 0.02 . . . . . . . 225 PRO CB . 50471 1 955 . 1 . 1 226 226 LEU H H 1 6.623 0.01 . . . . . . . 226 LEU H . 50471 1 956 . 1 . 1 226 226 LEU C C 13 180.877 0.01 . . . . . . . 226 LEU C . 50471 1 957 . 1 . 1 226 226 LEU CA C 13 57.699 0.01 . . . . . . . 226 LEU CA . 50471 1 958 . 1 . 1 226 226 LEU CB C 13 39.723 0.03 . . . . . . . 226 LEU CB . 50471 1 959 . 1 . 1 226 226 LEU N N 15 119.429 0.04 . . . . . . . 226 LEU N . 50471 1 960 . 1 . 1 227 227 LEU H H 1 8.315 0.00 . . . . . . . 227 LEU H . 50471 1 961 . 1 . 1 227 227 LEU C C 13 179.730 0.01 . . . . . . . 227 LEU C . 50471 1 962 . 1 . 1 227 227 LEU CA C 13 57.647 0.02 . . . . . . . 227 LEU CA . 50471 1 963 . 1 . 1 227 227 LEU CB C 13 40.884 0.02 . . . . . . . 227 LEU CB . 50471 1 964 . 1 . 1 227 227 LEU N N 15 122.375 0.04 . . . . . . . 227 LEU N . 50471 1 965 . 1 . 1 228 228 ALA H H 1 8.010 0.01 . . . . . . . 228 ALA H . 50471 1 966 . 1 . 1 228 228 ALA C C 13 178.943 0.02 . . . . . . . 228 ALA C . 50471 1 967 . 1 . 1 228 228 ALA CA C 13 52.971 0.01 . . . . . . . 228 ALA CA . 50471 1 968 . 1 . 1 228 228 ALA CB C 13 17.810 0.02 . . . . . . . 228 ALA CB . 50471 1 969 . 1 . 1 228 228 ALA N N 15 119.058 0.02 . . . . . . . 228 ALA N . 50471 1 970 . 1 . 1 229 229 SER H H 1 7.878 0.01 . . . . . . . 229 SER H . 50471 1 971 . 1 . 1 229 229 SER C C 13 174.822 0.02 . . . . . . . 229 SER C . 50471 1 972 . 1 . 1 229 229 SER CA C 13 60.300 0.01 . . . . . . . 229 SER CA . 50471 1 973 . 1 . 1 229 229 SER CB C 13 62.674 0.02 . . . . . . . 229 SER CB . 50471 1 974 . 1 . 1 229 229 SER N N 15 117.105 0.04 . . . . . . . 229 SER N . 50471 1 975 . 1 . 1 230 230 ALA H H 1 7.296 0.01 . . . . . . . 230 ALA H . 50471 1 976 . 1 . 1 230 230 ALA C C 13 177.195 0.02 . . . . . . . 230 ALA C . 50471 1 977 . 1 . 1 230 230 ALA CA C 13 53.016 0.01 . . . . . . . 230 ALA CA . 50471 1 978 . 1 . 1 230 230 ALA CB C 13 18.156 0.02 . . . . . . . 230 ALA CB . 50471 1 979 . 1 . 1 230 230 ALA N N 15 123.923 0.02 . . . . . . . 230 ALA N . 50471 1 980 . 1 . 1 231 231 GLY H H 1 7.612 0.01 . . . . . . . 231 GLY H . 50471 1 981 . 1 . 1 231 231 GLY C C 13 175.720 0.01 . . . . . . . 231 GLY C . 50471 1 982 . 1 . 1 231 231 GLY CA C 13 45.075 0.03 . . . . . . . 231 GLY CA . 50471 1 983 . 1 . 1 231 231 GLY N N 15 102.574 0.02 . . . . . . . 231 GLY N . 50471 1 984 . 1 . 1 232 232 THR H H 1 7.756 0.01 . . . . . . . 232 THR H . 50471 1 985 . 1 . 1 232 232 THR C C 13 173.832 0.00 . . . . . . . 232 THR C . 50471 1 986 . 1 . 1 232 232 THR CA C 13 59.971 0.01 . . . . . . . 232 THR CA . 50471 1 987 . 1 . 1 232 232 THR CB C 13 66.103 0.01 . . . . . . . 232 THR CB . 50471 1 988 . 1 . 1 232 232 THR N N 15 109.894 0.02 . . . . . . . 232 THR N . 50471 1 989 . 1 . 1 240 240 LEU C C 13 177.161 0.01 . . . . . . . 240 LEU C . 50471 1 990 . 1 . 1 240 240 LEU CA C 13 55.290 0.03 . . . . . . . 240 LEU CA . 50471 1 991 . 1 . 1 240 240 LEU CB C 13 41.647 0.02 . . . . . . . 240 LEU CB . 50471 1 992 . 1 . 1 241 241 ASP H H 1 8.884 0.01 . . . . . . . 241 ASP H . 50471 1 993 . 1 . 1 241 241 ASP C C 13 173.329 0.01 . . . . . . . 241 ASP C . 50471 1 994 . 1 . 1 241 241 ASP CA C 13 53.355 0.01 . . . . . . . 241 ASP CA . 50471 1 995 . 1 . 1 241 241 ASP CB C 13 42.005 0.05 . . . . . . . 241 ASP CB . 50471 1 996 . 1 . 1 241 241 ASP N N 15 124.387 0.03 . . . . . . . 241 ASP N . 50471 1 997 . 1 . 1 242 242 VAL H H 1 7.910 0.01 . . . . . . . 242 VAL H . 50471 1 998 . 1 . 1 242 242 VAL C C 13 175.503 0.01 . . . . . . . 242 VAL C . 50471 1 999 . 1 . 1 242 242 VAL CA C 13 59.802 0.01 . . . . . . . 242 VAL CA . 50471 1 1000 . 1 . 1 242 242 VAL CB C 13 35.638 0.04 . . . . . . . 242 VAL CB . 50471 1 1001 . 1 . 1 242 242 VAL N N 15 116.786 0.06 . . . . . . . 242 VAL N . 50471 1 1002 . 1 . 1 243 243 ALA H H 1 8.074 0.01 . . . . . . . 243 ALA H . 50471 1 1003 . 1 . 1 243 243 ALA C C 13 177.609 0.02 . . . . . . . 243 ALA C . 50471 1 1004 . 1 . 1 243 243 ALA CA C 13 54.235 0.01 . . . . . . . 243 ALA CA . 50471 1 1005 . 1 . 1 243 243 ALA CB C 13 17.585 0.03 . . . . . . . 243 ALA CB . 50471 1 1006 . 1 . 1 243 243 ALA N N 15 133.137 0.02 . . . . . . . 243 ALA N . 50471 1 1007 . 1 . 1 244 244 GLY H H 1 8.911 0.01 . . . . . . . 244 GLY H . 50471 1 1008 . 1 . 1 244 244 GLY C C 13 174.413 0.01 . . . . . . . 244 GLY C . 50471 1 1009 . 1 . 1 244 244 GLY CA C 13 45.592 0.03 . . . . . . . 244 GLY CA . 50471 1 1010 . 1 . 1 244 244 GLY N N 15 113.803 0.01 . . . . . . . 244 GLY N . 50471 1 1011 . 1 . 1 245 245 ALA H H 1 9.249 0.00 . . . . . . . 245 ALA H . 50471 1 1012 . 1 . 1 245 245 ALA C C 13 174.834 0.02 . . . . . . . 245 ALA C . 50471 1 1013 . 1 . 1 245 245 ALA CA C 13 52.479 0.01 . . . . . . . 245 ALA CA . 50471 1 1014 . 1 . 1 245 245 ALA CB C 13 17.438 0.02 . . . . . . . 245 ALA CB . 50471 1 1015 . 1 . 1 245 245 ALA N N 15 122.874 0.02 . . . . . . . 245 ALA N . 50471 1 1016 . 1 . 1 246 246 SER H H 1 8.735 0.01 . . . . . . . 246 SER H . 50471 1 1017 . 1 . 1 246 246 SER C C 13 176.161 0.00 . . . . . . . 246 SER C . 50471 1 1018 . 1 . 1 246 246 SER CA C 13 56.482 0.00 . . . . . . . 246 SER CA . 50471 1 1019 . 1 . 1 246 246 SER CB C 13 63.766 0.00 . . . . . . . 246 SER CB . 50471 1 1020 . 1 . 1 246 246 SER N N 15 114.074 0.02 . . . . . . . 246 SER N . 50471 1 1021 . 1 . 1 247 247 PRO C C 13 177.217 0.01 . . . . . . . 247 PRO C . 50471 1 1022 . 1 . 1 247 247 PRO CA C 13 65.474 0.01 . . . . . . . 247 PRO CA . 50471 1 1023 . 1 . 1 247 247 PRO CB C 13 31.986 0.01 . . . . . . . 247 PRO CB . 50471 1 1024 . 1 . 1 248 248 THR H H 1 7.835 0.01 . . . . . . . 248 THR H . 50471 1 1025 . 1 . 1 248 248 THR C C 13 176.444 0.02 . . . . . . . 248 THR C . 50471 1 1026 . 1 . 1 248 248 THR CA C 13 65.891 0.03 . . . . . . . 248 THR CA . 50471 1 1027 . 1 . 1 248 248 THR CB C 13 68.648 0.02 . . . . . . . 248 THR CB . 50471 1 1028 . 1 . 1 248 248 THR N N 15 111.696 0.04 . . . . . . . 248 THR N . 50471 1 1029 . 1 . 1 249 249 ASP H H 1 7.067 0.02 . . . . . . . 249 ASP H . 50471 1 1030 . 1 . 1 249 249 ASP C C 13 177.978 0.02 . . . . . . . 249 ASP C . 50471 1 1031 . 1 . 1 249 249 ASP CA C 13 58.499 0.01 . . . . . . . 249 ASP CA . 50471 1 1032 . 1 . 1 249 249 ASP CB C 13 43.468 0.02 . . . . . . . 249 ASP CB . 50471 1 1033 . 1 . 1 249 249 ASP N N 15 118.459 0.04 . . . . . . . 249 ASP N . 50471 1 1034 . 1 . 1 250 250 TYR H H 1 7.636 0.02 . . . . . . . 250 TYR H . 50471 1 1035 . 1 . 1 250 250 TYR C C 13 178.321 0.01 . . . . . . . 250 TYR C . 50471 1 1036 . 1 . 1 250 250 TYR CA C 13 64.482 0.01 . . . . . . . 250 TYR CA . 50471 1 1037 . 1 . 1 250 250 TYR CB C 13 37.913 0.05 . . . . . . . 250 TYR CB . 50471 1 1038 . 1 . 1 250 250 TYR N N 15 116.457 0.02 . . . . . . . 250 TYR N . 50471 1 1039 . 1 . 1 251 251 VAL H H 1 8.798 0.01 . . . . . . . 251 VAL H . 50471 1 1040 . 1 . 1 251 251 VAL C C 13 177.553 0.02 . . . . . . . 251 VAL C . 50471 1 1041 . 1 . 1 251 251 VAL CA C 13 67.114 0.01 . . . . . . . 251 VAL CA . 50471 1 1042 . 1 . 1 251 251 VAL CB C 13 30.172 0.02 . . . . . . . 251 VAL CB . 50471 1 1043 . 1 . 1 251 251 VAL N N 15 118.269 0.03 . . . . . . . 251 VAL N . 50471 1 1044 . 1 . 1 252 252 ASN H H 1 7.699 0.01 . . . . . . . 252 ASN H . 50471 1 1045 . 1 . 1 252 252 ASN C C 13 176.914 0.01 . . . . . . . 252 ASN C . 50471 1 1046 . 1 . 1 252 252 ASN CA C 13 56.058 0.01 . . . . . . . 252 ASN CA . 50471 1 1047 . 1 . 1 252 252 ASN CB C 13 36.886 0.03 . . . . . . . 252 ASN CB . 50471 1 1048 . 1 . 1 252 252 ASN N N 15 119.061 0.04 . . . . . . . 252 ASN N . 50471 1 1049 . 1 . 1 253 253 VAL H H 1 7.497 0.01 . . . . . . . 253 VAL H . 50471 1 1050 . 1 . 1 253 253 VAL C C 13 177.478 0.02 . . . . . . . 253 VAL C . 50471 1 1051 . 1 . 1 253 253 VAL CA C 13 66.934 0.02 . . . . . . . 253 VAL CA . 50471 1 1052 . 1 . 1 253 253 VAL CB C 13 30.559 0.03 . . . . . . . 253 VAL CB . 50471 1 1053 . 1 . 1 253 253 VAL N N 15 118.938 0.06 . . . . . . . 253 VAL N . 50471 1 1054 . 1 . 1 254 254 VAL H H 1 7.932 0.01 . . . . . . . 254 VAL H . 50471 1 1055 . 1 . 1 254 254 VAL C C 13 177.664 0.02 . . . . . . . 254 VAL C . 50471 1 1056 . 1 . 1 254 254 VAL CA C 13 66.524 0.01 . . . . . . . 254 VAL CA . 50471 1 1057 . 1 . 1 254 254 VAL CB C 13 30.424 0.02 . . . . . . . 254 VAL CB . 50471 1 1058 . 1 . 1 254 254 VAL N N 15 119.422 0.03 . . . . . . . 254 VAL N . 50471 1 1059 . 1 . 1 255 255 ASN H H 1 8.924 0.01 . . . . . . . 255 ASN H . 50471 1 1060 . 1 . 1 255 255 ASN C C 13 177.289 0.01 . . . . . . . 255 ASN C . 50471 1 1061 . 1 . 1 255 255 ASN CA C 13 55.501 0.01 . . . . . . . 255 ASN CA . 50471 1 1062 . 1 . 1 255 255 ASN CB C 13 36.498 0.02 . . . . . . . 255 ASN CB . 50471 1 1063 . 1 . 1 255 255 ASN N N 15 119.543 0.04 . . . . . . . 255 ASN N . 50471 1 1064 . 1 . 1 256 256 ALA H H 1 8.082 0.01 . . . . . . . 256 ALA H . 50471 1 1065 . 1 . 1 256 256 ALA C C 13 177.962 0.01 . . . . . . . 256 ALA C . 50471 1 1066 . 1 . 1 256 256 ALA CA C 13 55.389 0.02 . . . . . . . 256 ALA CA . 50471 1 1067 . 1 . 1 256 256 ALA CB C 13 17.523 0.05 . . . . . . . 256 ALA CB . 50471 1 1068 . 1 . 1 256 256 ALA N N 15 124.360 0.03 . . . . . . . 256 ALA N . 50471 1 1069 . 1 . 1 257 257 CYS H H 1 7.411 0.01 . . . . . . . 257 CYS H . 50471 1 1070 . 1 . 1 257 257 CYS C C 13 176.739 0.02 . . . . . . . 257 CYS C . 50471 1 1071 . 1 . 1 257 257 CYS CA C 13 61.064 0.01 . . . . . . . 257 CYS CA . 50471 1 1072 . 1 . 1 257 257 CYS CB C 13 26.244 0.08 . . . . . . . 257 CYS CB . 50471 1 1073 . 1 . 1 257 257 CYS N N 15 115.654 0.04 . . . . . . . 257 CYS N . 50471 1 1074 . 1 . 1 258 258 LEU H H 1 8.231 0.01 . . . . . . . 258 LEU H . 50471 1 1075 . 1 . 1 258 258 LEU C C 13 178.473 0.02 . . . . . . . 258 LEU C . 50471 1 1076 . 1 . 1 258 258 LEU CA C 13 57.088 0.02 . . . . . . . 258 LEU CA . 50471 1 1077 . 1 . 1 258 258 LEU CB C 13 39.893 0.02 . . . . . . . 258 LEU CB . 50471 1 1078 . 1 . 1 258 258 LEU N N 15 117.170 0.02 . . . . . . . 258 LEU N . 50471 1 1079 . 1 . 1 259 259 ASN H H 1 8.059 0.01 . . . . . . . 259 ASN H . 50471 1 1080 . 1 . 1 259 259 ASN C C 13 175.330 0.01 . . . . . . . 259 ASN C . 50471 1 1081 . 1 . 1 259 259 ASN CA C 13 53.725 0.02 . . . . . . . 259 ASN CA . 50471 1 1082 . 1 . 1 259 259 ASN CB C 13 38.411 0.01 . . . . . . . 259 ASN CB . 50471 1 1083 . 1 . 1 259 259 ASN N N 15 117.750 0.03 . . . . . . . 259 ASN N . 50471 1 1084 . 1 . 1 260 260 VAL H H 1 7.276 0.01 . . . . . . . 260 VAL H . 50471 1 1085 . 1 . 1 260 260 VAL C C 13 176.578 0.01 . . . . . . . 260 VAL C . 50471 1 1086 . 1 . 1 260 260 VAL CA C 13 61.352 0.01 . . . . . . . 260 VAL CA . 50471 1 1087 . 1 . 1 260 260 VAL CB C 13 31.440 0.03 . . . . . . . 260 VAL CB . 50471 1 1088 . 1 . 1 260 260 VAL N N 15 122.185 0.02 . . . . . . . 260 VAL N . 50471 1 1089 . 1 . 1 261 261 GLN H H 1 9.058 0.01 . . . . . . . 261 GLN H . 50471 1 1090 . 1 . 1 261 261 GLN C C 13 177.437 0.01 . . . . . . . 261 GLN C . 50471 1 1091 . 1 . 1 261 261 GLN CA C 13 58.873 0.01 . . . . . . . 261 GLN CA . 50471 1 1092 . 1 . 1 261 261 GLN CB C 13 27.252 0.02 . . . . . . . 261 GLN CB . 50471 1 1093 . 1 . 1 261 261 GLN N N 15 132.334 0.03 . . . . . . . 261 GLN N . 50471 1 1094 . 1 . 1 262 262 SER H H 1 7.931 0.01 . . . . . . . 262 SER H . 50471 1 1095 . 1 . 1 262 262 SER C C 13 173.996 0.02 . . . . . . . 262 SER C . 50471 1 1096 . 1 . 1 262 262 SER CA C 13 57.618 0.01 . . . . . . . 262 SER CA . 50471 1 1097 . 1 . 1 262 262 SER CB C 13 62.836 0.00 . . . . . . . 262 SER CB . 50471 1 1098 . 1 . 1 262 262 SER N N 15 109.854 0.03 . . . . . . . 262 SER N . 50471 1 1099 . 1 . 1 263 263 CYS H H 1 7.764 0.01 . . . . . . . 263 CYS H . 50471 1 1100 . 1 . 1 263 263 CYS C C 13 176.065 0.01 . . . . . . . 263 CYS C . 50471 1 1101 . 1 . 1 263 263 CYS CA C 13 57.031 0.01 . . . . . . . 263 CYS CA . 50471 1 1102 . 1 . 1 263 263 CYS CB C 13 26.038 0.06 . . . . . . . 263 CYS CB . 50471 1 1103 . 1 . 1 263 263 CYS N N 15 121.960 0.04 . . . . . . . 263 CYS N . 50471 1 1104 . 1 . 1 264 264 VAL H H 1 8.188 0.01 . . . . . . . 264 VAL H . 50471 1 1105 . 1 . 1 264 264 VAL C C 13 175.287 0.00 . . . . . . . 264 VAL C . 50471 1 1106 . 1 . 1 264 264 VAL CA C 13 62.994 0.02 . . . . . . . 264 VAL CA . 50471 1 1107 . 1 . 1 264 264 VAL CB C 13 31.673 0.03 . . . . . . . 264 VAL CB . 50471 1 1108 . 1 . 1 264 264 VAL N N 15 122.193 0.03 . . . . . . . 264 VAL N . 50471 1 1109 . 1 . 1 265 265 GLY H H 1 6.840 0.01 . . . . . . . 265 GLY H . 50471 1 1110 . 1 . 1 265 265 GLY C C 13 170.160 0.02 . . . . . . . 265 GLY C . 50471 1 1111 . 1 . 1 265 265 GLY CA C 13 44.770 0.04 . . . . . . . 265 GLY CA . 50471 1 1112 . 1 . 1 265 265 GLY N N 15 103.959 0.03 . . . . . . . 265 GLY N . 50471 1 1113 . 1 . 1 266 266 ILE H H 1 6.232 0.01 . . . . . . . 266 ILE H . 50471 1 1114 . 1 . 1 266 266 ILE C C 13 173.991 0.01 . . . . . . . 266 ILE C . 50471 1 1115 . 1 . 1 266 266 ILE CA C 13 59.157 0.01 . . . . . . . 266 ILE CA . 50471 1 1116 . 1 . 1 266 266 ILE CB C 13 42.106 0.03 . . . . . . . 266 ILE CB . 50471 1 1117 . 1 . 1 266 266 ILE N N 15 115.838 0.04 . . . . . . . 266 ILE N . 50471 1 1118 . 1 . 1 267 267 THR H H 1 8.196 0.01 . . . . . . . 267 THR H . 50471 1 1119 . 1 . 1 267 267 THR CA C 13 61.138 0.00 . . . . . . . 267 THR CA . 50471 1 1120 . 1 . 1 267 267 THR N N 15 124.558 0.09 . . . . . . . 267 THR N . 50471 1 1121 . 1 . 1 270 270 GLY C C 13 170.972 0.01 . . . . . . . 270 GLY C . 50471 1 1122 . 1 . 1 270 270 GLY CA C 13 43.634 0.04 . . . . . . . 270 GLY CA . 50471 1 1123 . 1 . 1 271 271 VAL H H 1 8.725 0.01 . . . . . . . 271 VAL H . 50471 1 1124 . 1 . 1 271 271 VAL C C 13 173.822 0.02 . . . . . . . 271 VAL C . 50471 1 1125 . 1 . 1 271 271 VAL CA C 13 64.942 0.02 . . . . . . . 271 VAL CA . 50471 1 1126 . 1 . 1 271 271 VAL CB C 13 31.554 0.07 . . . . . . . 271 VAL CB . 50471 1 1127 . 1 . 1 271 271 VAL N N 15 119.515 0.04 . . . . . . . 271 VAL N . 50471 1 1128 . 1 . 1 272 272 ALA H H 1 8.310 0.01 . . . . . . . 272 ALA H . 50471 1 1129 . 1 . 1 272 272 ALA C C 13 177.614 0.02 . . . . . . . 272 ALA C . 50471 1 1130 . 1 . 1 272 272 ALA CA C 13 49.951 0.01 . . . . . . . 272 ALA CA . 50471 1 1131 . 1 . 1 272 272 ALA CB C 13 21.010 0.05 . . . . . . . 272 ALA CB . 50471 1 1132 . 1 . 1 272 272 ALA N N 15 120.364 0.07 . . . . . . . 272 ALA N . 50471 1 1133 . 1 . 1 273 273 ASP H H 1 7.935 0.01 . . . . . . . 273 ASP H . 50471 1 1134 . 1 . 1 273 273 ASP C C 13 173.882 0.01 . . . . . . . 273 ASP C . 50471 1 1135 . 1 . 1 273 273 ASP CA C 13 58.943 0.00 . . . . . . . 273 ASP CA . 50471 1 1136 . 1 . 1 273 273 ASP CB C 13 39.041 0.06 . . . . . . . 273 ASP CB . 50471 1 1137 . 1 . 1 273 273 ASP N N 15 120.770 0.04 . . . . . . . 273 ASP N . 50471 1 1138 . 1 . 1 274 274 PRO C C 13 177.053 0.00 . . . . . . . 274 PRO C . 50471 1 1139 . 1 . 1 274 274 PRO CA C 13 64.755 0.00 . . . . . . . 274 PRO CA . 50471 1 1140 . 1 . 1 274 274 PRO CB C 13 30.040 0.08 . . . . . . . 274 PRO CB . 50471 1 1141 . 1 . 1 275 275 ASP H H 1 7.919 0.01 . . . . . . . 275 ASP H . 50471 1 1142 . 1 . 1 275 275 ASP C C 13 176.570 0.01 . . . . . . . 275 ASP C . 50471 1 1143 . 1 . 1 275 275 ASP CA C 13 54.151 0.02 . . . . . . . 275 ASP CA . 50471 1 1144 . 1 . 1 275 275 ASP CB C 13 40.393 0.05 . . . . . . . 275 ASP CB . 50471 1 1145 . 1 . 1 275 275 ASP N N 15 114.695 0.04 . . . . . . . 275 ASP N . 50471 1 1146 . 1 . 1 276 276 SER H H 1 7.630 0.01 . . . . . . . 276 SER H . 50471 1 1147 . 1 . 1 276 276 SER C C 13 176.506 0.02 . . . . . . . 276 SER C . 50471 1 1148 . 1 . 1 276 276 SER CA C 13 57.190 0.03 . . . . . . . 276 SER CA . 50471 1 1149 . 1 . 1 276 276 SER CB C 13 63.103 0.08 . . . . . . . 276 SER CB . 50471 1 1150 . 1 . 1 276 276 SER N N 15 115.812 0.02 . . . . . . . 276 SER N . 50471 1 1151 . 1 . 1 277 277 ALA H H 1 9.056 0.01 . . . . . . . 277 ALA H . 50471 1 1152 . 1 . 1 277 277 ALA C C 13 177.272 0.02 . . . . . . . 277 ALA C . 50471 1 1153 . 1 . 1 277 277 ALA CA C 13 53.754 0.02 . . . . . . . 277 ALA CA . 50471 1 1154 . 1 . 1 277 277 ALA CB C 13 16.683 0.08 . . . . . . . 277 ALA CB . 50471 1 1155 . 1 . 1 277 277 ALA N N 15 132.920 0.05 . . . . . . . 277 ALA N . 50471 1 1156 . 1 . 1 278 278 PHE H H 1 8.694 0.01 . . . . . . . 278 PHE H . 50471 1 1157 . 1 . 1 278 278 PHE C C 13 177.493 0.00 . . . . . . . 278 PHE C . 50471 1 1158 . 1 . 1 278 278 PHE CA C 13 53.757 0.01 . . . . . . . 278 PHE CA . 50471 1 1159 . 1 . 1 278 278 PHE CB C 13 37.544 0.05 . . . . . . . 278 PHE CB . 50471 1 1160 . 1 . 1 278 278 PHE N N 15 120.212 0.02 . . . . . . . 278 PHE N . 50471 1 1161 . 1 . 1 279 279 ALA H H 1 6.962 0.01 . . . . . . . 279 ALA H . 50471 1 1162 . 1 . 1 279 279 ALA C C 13 181.203 0.00 . . . . . . . 279 ALA C . 50471 1 1163 . 1 . 1 279 279 ALA CA C 13 56.281 0.01 . . . . . . . 279 ALA CA . 50471 1 1164 . 1 . 1 279 279 ALA CB C 13 18.681 0.05 . . . . . . . 279 ALA CB . 50471 1 1165 . 1 . 1 279 279 ALA N N 15 124.723 0.06 . . . . . . . 279 ALA N . 50471 1 1166 . 1 . 1 280 280 SER C C 13 175.404 0.00 . . . . . . . 280 SER C . 50471 1 1167 . 1 . 1 280 280 SER CA C 13 60.819 0.00 . . . . . . . 280 SER CA . 50471 1 1168 . 1 . 1 280 280 SER CB C 13 62.136 0.00 . . . . . . . 280 SER CB . 50471 1 1169 . 1 . 1 281 281 SER H H 1 8.280 0.01 . . . . . . . 281 SER H . 50471 1 1170 . 1 . 1 281 281 SER C C 13 173.237 0.01 . . . . . . . 281 SER C . 50471 1 1171 . 1 . 1 281 281 SER CA C 13 58.082 0.01 . . . . . . . 281 SER CA . 50471 1 1172 . 1 . 1 281 281 SER CB C 13 63.829 0.02 . . . . . . . 281 SER CB . 50471 1 1173 . 1 . 1 281 281 SER N N 15 117.524 0.05 . . . . . . . 281 SER N . 50471 1 1174 . 1 . 1 282 282 THR H H 1 8.003 0.01 . . . . . . . 282 THR H . 50471 1 1175 . 1 . 1 282 282 THR C C 13 174.714 0.01 . . . . . . . 282 THR C . 50471 1 1176 . 1 . 1 282 282 THR CA C 13 59.320 0.01 . . . . . . . 282 THR CA . 50471 1 1177 . 1 . 1 282 282 THR CB C 13 70.885 0.01 . . . . . . . 282 THR CB . 50471 1 1178 . 1 . 1 282 282 THR N N 15 110.499 0.03 . . . . . . . 282 THR N . 50471 1 1179 . 1 . 1 283 283 PRO C C 13 177.733 0.01 . . . . . . . 283 PRO C . 50471 1 1180 . 1 . 1 283 283 PRO CA C 13 65.178 0.01 . . . . . . . 283 PRO CA . 50471 1 1181 . 1 . 1 283 283 PRO CB C 13 32.373 0.04 . . . . . . . 283 PRO CB . 50471 1 1182 . 1 . 1 284 284 LEU H H 1 9.183 0.01 . . . . . . . 284 LEU H . 50471 1 1183 . 1 . 1 284 284 LEU C C 13 176.823 0.01 . . . . . . . 284 LEU C . 50471 1 1184 . 1 . 1 284 284 LEU CA C 13 54.066 0.02 . . . . . . . 284 LEU CA . 50471 1 1185 . 1 . 1 284 284 LEU CB C 13 40.744 0.02 . . . . . . . 284 LEU CB . 50471 1 1186 . 1 . 1 284 284 LEU N N 15 126.931 0.02 . . . . . . . 284 LEU N . 50471 1 1187 . 1 . 1 285 285 LEU H H 1 8.885 0.02 . . . . . . . 285 LEU H . 50471 1 1188 . 1 . 1 285 285 LEU C C 13 174.845 0.02 . . . . . . . 285 LEU C . 50471 1 1189 . 1 . 1 285 285 LEU CA C 13 55.951 0.01 . . . . . . . 285 LEU CA . 50471 1 1190 . 1 . 1 285 285 LEU CB C 13 42.191 0.03 . . . . . . . 285 LEU CB . 50471 1 1191 . 1 . 1 285 285 LEU N N 15 115.982 0.02 . . . . . . . 285 LEU N . 50471 1 1192 . 1 . 1 286 286 PHE H H 1 7.424 0.02 . . . . . . . 286 PHE H . 50471 1 1193 . 1 . 1 286 286 PHE C C 13 174.517 0.01 . . . . . . . 286 PHE C . 50471 1 1194 . 1 . 1 286 286 PHE CA C 13 55.573 0.03 . . . . . . . 286 PHE CA . 50471 1 1195 . 1 . 1 286 286 PHE CB C 13 40.169 0.04 . . . . . . . 286 PHE CB . 50471 1 1196 . 1 . 1 286 286 PHE N N 15 114.673 0.07 . . . . . . . 286 PHE N . 50471 1 1197 . 1 . 1 287 287 ASP H H 1 8.488 0.01 . . . . . . . 287 ASP H . 50471 1 1198 . 1 . 1 287 287 ASP C C 13 177.273 0.01 . . . . . . . 287 ASP C . 50471 1 1199 . 1 . 1 287 287 ASP CA C 13 51.783 0.01 . . . . . . . 287 ASP CA . 50471 1 1200 . 1 . 1 287 287 ASP CB C 13 41.000 0.03 . . . . . . . 287 ASP CB . 50471 1 1201 . 1 . 1 287 287 ASP N N 15 120.426 0.02 . . . . . . . 287 ASP N . 50471 1 1202 . 1 . 1 288 288 GLY H H 1 8.364 0.01 . . . . . . . 288 GLY H . 50471 1 1203 . 1 . 1 288 288 GLY C C 13 174.285 0.02 . . . . . . . 288 GLY C . 50471 1 1204 . 1 . 1 288 288 GLY CA C 13 46.101 0.04 . . . . . . . 288 GLY CA . 50471 1 1205 . 1 . 1 288 288 GLY N N 15 102.839 0.02 . . . . . . . 288 GLY N . 50471 1 1206 . 1 . 1 289 289 ASN H H 1 8.204 0.01 . . . . . . . 289 ASN H . 50471 1 1207 . 1 . 1 289 289 ASN C C 13 174.501 0.01 . . . . . . . 289 ASN C . 50471 1 1208 . 1 . 1 289 289 ASN CA C 13 52.447 0.01 . . . . . . . 289 ASN CA . 50471 1 1209 . 1 . 1 289 289 ASN CB C 13 38.606 0.03 . . . . . . . 289 ASN CB . 50471 1 1210 . 1 . 1 289 289 ASN N N 15 117.909 0.04 . . . . . . . 289 ASN N . 50471 1 1211 . 1 . 1 290 290 PHE H H 1 8.290 0.01 . . . . . . . 290 PHE H . 50471 1 1212 . 1 . 1 290 290 PHE C C 13 173.111 0.03 . . . . . . . 290 PHE C . 50471 1 1213 . 1 . 1 290 290 PHE CA C 13 60.572 0.01 . . . . . . . 290 PHE CA . 50471 1 1214 . 1 . 1 290 290 PHE CB C 13 34.134 0.03 . . . . . . . 290 PHE CB . 50471 1 1215 . 1 . 1 290 290 PHE N N 15 113.772 0.04 . . . . . . . 290 PHE N . 50471 1 1216 . 1 . 1 291 291 ASN H H 1 8.390 0.01 . . . . . . . 291 ASN H . 50471 1 1217 . 1 . 1 291 291 ASN C C 13 173.873 0.01 . . . . . . . 291 ASN C . 50471 1 1218 . 1 . 1 291 291 ASN CA C 13 50.387 0.01 . . . . . . . 291 ASN CA . 50471 1 1219 . 1 . 1 291 291 ASN CB C 13 37.835 0.01 . . . . . . . 291 ASN CB . 50471 1 1220 . 1 . 1 291 291 ASN N N 15 117.535 0.03 . . . . . . . 291 ASN N . 50471 1 1221 . 1 . 1 294 294 PRO C C 13 179.730 0.02 . . . . . . . 294 PRO C . 50471 1 1222 . 1 . 1 294 294 PRO CA C 13 65.787 0.00 . . . . . . . 294 PRO CA . 50471 1 1223 . 1 . 1 294 294 PRO CB C 13 30.779 0.03 . . . . . . . 294 PRO CB . 50471 1 1224 . 1 . 1 295 295 ALA H H 1 9.205 0.01 . . . . . . . 295 ALA H . 50471 1 1225 . 1 . 1 295 295 ALA C C 13 178.251 0.01 . . . . . . . 295 ALA C . 50471 1 1226 . 1 . 1 295 295 ALA CA C 13 55.466 0.01 . . . . . . . 295 ALA CA . 50471 1 1227 . 1 . 1 295 295 ALA CB C 13 18.456 0.01 . . . . . . . 295 ALA CB . 50471 1 1228 . 1 . 1 295 295 ALA N N 15 118.277 0.03 . . . . . . . 295 ALA N . 50471 1 1229 . 1 . 1 296 296 TYR H H 1 7.368 0.01 . . . . . . . 296 TYR H . 50471 1 1230 . 1 . 1 296 296 TYR C C 13 177.005 0.04 . . . . . . . 296 TYR C . 50471 1 1231 . 1 . 1 296 296 TYR CA C 13 62.119 0.03 . . . . . . . 296 TYR CA . 50471 1 1232 . 1 . 1 296 296 TYR CB C 13 37.271 0.02 . . . . . . . 296 TYR CB . 50471 1 1233 . 1 . 1 296 296 TYR N N 15 118.291 0.04 . . . . . . . 296 TYR N . 50471 1 1234 . 1 . 1 297 297 ASN H H 1 7.105 0.01 . . . . . . . 297 ASN H . 50471 1 1235 . 1 . 1 297 297 ASN C C 13 177.393 0.01 . . . . . . . 297 ASN C . 50471 1 1236 . 1 . 1 297 297 ASN CA C 13 55.461 0.01 . . . . . . . 297 ASN CA . 50471 1 1237 . 1 . 1 297 297 ASN CB C 13 37.151 0.01 . . . . . . . 297 ASN CB . 50471 1 1238 . 1 . 1 297 297 ASN N N 15 116.187 0.04 . . . . . . . 297 ASN N . 50471 1 1239 . 1 . 1 298 298 ALA H H 1 8.389 0.02 . . . . . . . 298 ALA H . 50471 1 1240 . 1 . 1 298 298 ALA C C 13 180.585 0.02 . . . . . . . 298 ALA C . 50471 1 1241 . 1 . 1 298 298 ALA CA C 13 54.173 0.01 . . . . . . . 298 ALA CA . 50471 1 1242 . 1 . 1 298 298 ALA CB C 13 18.098 0.06 . . . . . . . 298 ALA CB . 50471 1 1243 . 1 . 1 298 298 ALA N N 15 123.072 0.08 . . . . . . . 298 ALA N . 50471 1 1244 . 1 . 1 299 299 ILE H H 1 7.666 0.01 . . . . . . . 299 ILE H . 50471 1 1245 . 1 . 1 299 299 ILE C C 13 177.332 0.01 . . . . . . . 299 ILE C . 50471 1 1246 . 1 . 1 299 299 ILE CA C 13 66.481 0.02 . . . . . . . 299 ILE CA . 50471 1 1247 . 1 . 1 299 299 ILE CB C 13 36.757 0.02 . . . . . . . 299 ILE CB . 50471 1 1248 . 1 . 1 299 299 ILE N N 15 121.652 0.03 . . . . . . . 299 ILE N . 50471 1 1249 . 1 . 1 300 300 VAL H H 1 7.663 0.01 . . . . . . . 300 VAL H . 50471 1 1250 . 1 . 1 300 300 VAL C C 13 177.764 0.01 . . . . . . . 300 VAL C . 50471 1 1251 . 1 . 1 300 300 VAL CA C 13 66.668 0.01 . . . . . . . 300 VAL CA . 50471 1 1252 . 1 . 1 300 300 VAL CB C 13 30.741 0.03 . . . . . . . 300 VAL CB . 50471 1 1253 . 1 . 1 300 300 VAL N N 15 120.057 0.03 . . . . . . . 300 VAL N . 50471 1 1254 . 1 . 1 301 301 GLN H H 1 7.941 0.01 . . . . . . . 301 GLN H . 50471 1 1255 . 1 . 1 301 301 GLN C C 13 178.535 0.01 . . . . . . . 301 GLN C . 50471 1 1256 . 1 . 1 301 301 GLN CA C 13 58.263 0.01 . . . . . . . 301 GLN CA . 50471 1 1257 . 1 . 1 301 301 GLN CB C 13 27.602 0.01 . . . . . . . 301 GLN CB . 50471 1 1258 . 1 . 1 301 301 GLN N N 15 116.843 0.03 . . . . . . . 301 GLN N . 50471 1 1259 . 1 . 1 302 302 ASN H H 1 7.823 0.01 . . . . . . . 302 ASN H . 50471 1 1260 . 1 . 1 302 302 ASN C C 13 177.052 0.01 . . . . . . . 302 ASN C . 50471 1 1261 . 1 . 1 302 302 ASN CA C 13 56.286 0.01 . . . . . . . 302 ASN CA . 50471 1 1262 . 1 . 1 302 302 ASN CB C 13 40.173 0.04 . . . . . . . 302 ASN CB . 50471 1 1263 . 1 . 1 302 302 ASN N N 15 117.197 0.03 . . . . . . . 302 ASN N . 50471 1 1264 . 1 . 1 303 303 LEU H H 1 8.183 0.01 . . . . . . . 303 LEU H . 50471 1 1265 . 1 . 1 303 303 LEU C C 13 178.943 0.02 . . . . . . . 303 LEU C . 50471 1 1266 . 1 . 1 303 303 LEU CA C 13 55.805 0.02 . . . . . . . 303 LEU CA . 50471 1 1267 . 1 . 1 303 303 LEU CB C 13 42.508 0.03 . . . . . . . 303 LEU CB . 50471 1 1268 . 1 . 1 303 303 LEU N N 15 116.641 0.01 . . . . . . . 303 LEU N . 50471 1 1269 . 1 . 1 304 304 GLN H H 1 7.939 0.01 . . . . . . . 304 GLN H . 50471 1 1270 . 1 . 1 304 304 GLN C C 13 176.403 0.01 . . . . . . . 304 GLN C . 50471 1 1271 . 1 . 1 304 304 GLN CA C 13 56.929 0.00 . . . . . . . 304 GLN CA . 50471 1 1272 . 1 . 1 304 304 GLN CB C 13 28.617 0.01 . . . . . . . 304 GLN CB . 50471 1 1273 . 1 . 1 304 304 GLN N N 15 119.623 0.03 . . . . . . . 304 GLN N . 50471 1 1274 . 1 . 1 305 305 GLN H H 1 7.893 0.01 . . . . . . . 305 GLN H . 50471 1 1275 . 1 . 1 305 305 GLN C C 13 176.418 0.02 . . . . . . . 305 GLN C . 50471 1 1276 . 1 . 1 305 305 GLN CA C 13 56.077 0.03 . . . . . . . 305 GLN CA . 50471 1 1277 . 1 . 1 305 305 GLN CB C 13 28.611 0.01 . . . . . . . 305 GLN CB . 50471 1 1278 . 1 . 1 305 305 GLN N N 15 119.596 0.03 . . . . . . . 305 GLN N . 50471 1 1279 . 1 . 1 306 306 GLY H H 1 8.132 0.01 . . . . . . . 306 GLY H . 50471 1 1280 . 1 . 1 306 306 GLY C C 13 174.016 0.02 . . . . . . . 306 GLY C . 50471 1 1281 . 1 . 1 306 306 GLY CA C 13 44.819 0.03 . . . . . . . 306 GLY CA . 50471 1 1282 . 1 . 1 306 306 GLY N N 15 109.594 0.04 . . . . . . . 306 GLY N . 50471 1 1283 . 1 . 1 307 307 SER H H 1 8.041 0.01 . . . . . . . 307 SER H . 50471 1 1284 . 1 . 1 307 307 SER C C 13 174.884 0.01 . . . . . . . 307 SER C . 50471 1 1285 . 1 . 1 307 307 SER CA C 13 57.857 0.02 . . . . . . . 307 SER CA . 50471 1 1286 . 1 . 1 307 307 SER CB C 13 63.815 0.05 . . . . . . . 307 SER CB . 50471 1 1287 . 1 . 1 307 307 SER N N 15 115.965 0.01 . . . . . . . 307 SER N . 50471 1 1288 . 1 . 1 308 308 ILE H H 1 8.143 0.01 . . . . . . . 308 ILE H . 50471 1 1289 . 1 . 1 308 308 ILE C C 13 176.590 0.01 . . . . . . . 308 ILE C . 50471 1 1290 . 1 . 1 308 308 ILE CA C 13 61.181 0.02 . . . . . . . 308 ILE CA . 50471 1 1291 . 1 . 1 308 308 ILE CB C 13 37.787 0.02 . . . . . . . 308 ILE CB . 50471 1 1292 . 1 . 1 308 308 ILE N N 15 122.923 0.01 . . . . . . . 308 ILE N . 50471 1 1293 . 1 . 1 309 309 GLU H H 1 8.383 0.00 . . . . . . . 309 GLU H . 50471 1 1294 . 1 . 1 309 309 GLU C C 13 177.174 0.01 . . . . . . . 309 GLU C . 50471 1 1295 . 1 . 1 309 309 GLU CA C 13 56.621 0.01 . . . . . . . 309 GLU CA . 50471 1 1296 . 1 . 1 309 309 GLU CB C 13 29.179 0.01 . . . . . . . 309 GLU CB . 50471 1 1297 . 1 . 1 309 309 GLU N N 15 124.570 0.03 . . . . . . . 309 GLU N . 50471 1 1298 . 1 . 1 310 310 GLY H H 1 8.285 0.01 . . . . . . . 310 GLY H . 50471 1 1299 . 1 . 1 310 310 GLY C C 13 174.423 0.01 . . . . . . . 310 GLY C . 50471 1 1300 . 1 . 1 310 310 GLY CA C 13 45.061 0.02 . . . . . . . 310 GLY CA . 50471 1 1301 . 1 . 1 310 310 GLY N N 15 110.421 0.05 . . . . . . . 310 GLY N . 50471 1 1302 . 1 . 1 311 311 ARG H H 1 8.045 0.02 . . . . . . . 311 ARG H . 50471 1 1303 . 1 . 1 311 311 ARG C C 13 176.925 0.04 . . . . . . . 311 ARG C . 50471 1 1304 . 1 . 1 311 311 ARG CA C 13 55.854 0.03 . . . . . . . 311 ARG CA . 50471 1 1305 . 1 . 1 311 311 ARG CB C 13 29.728 0.06 . . . . . . . 311 ARG CB . 50471 1 1306 . 1 . 1 311 311 ARG N N 15 120.801 0.04 . . . . . . . 311 ARG N . 50471 1 1307 . 1 . 1 312 312 GLY H H 1 8.326 0.01 . . . . . . . 312 GLY H . 50471 1 1308 . 1 . 1 312 312 GLY C C 13 173.875 0.05 . . . . . . . 312 GLY C . 50471 1 1309 . 1 . 1 312 312 GLY CA C 13 44.824 0.03 . . . . . . . 312 GLY CA . 50471 1 1310 . 1 . 1 312 312 GLY N N 15 109.875 0.01 . . . . . . . 312 GLY N . 50471 1 stop_ save_