data_27996 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27996 _Entry.Title ; Chemical shift assignments of calcineurin catalytic subunit A residues 27-348 in complex with RCAN1 128-164 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-09 _Entry.Accession_date 2019-08-09 _Entry.Last_release_date 2019-08-09 _Entry.Original_release_date 2019-08-09 _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 Wolfgang Peti . . . . 27996 2 Yang Li . . . . 27996 3 Rebecca Page . . . . 27996 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27996 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 27996 '15N chemical shifts' 111 27996 '1H chemical shifts' 111 27996 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-09-24 2019-08-09 update BMRB 'update entry citation' 27996 1 . . 2020-07-09 2019-08-09 original author 'original release' 27996 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27994 'RCAN1 residues 89-197' 27996 BMRB 27995 'phosphorylated RCAN1 residues 89-197' 27996 BMRB 27997 'RCAN1 residues 128-164 in complex with calcineurin catalytic subunit A residues 27-348' 27996 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27996 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32936779 _Citation.DOI 10.1126/sciadv.aba3681 _Citation.Full_citation . _Citation.Title ; The structure of the RCAN1:CN complex explains the inhibition of and substrate recruitment by calcineurin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume 6 _Citation.Journal_issue 27 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3681 _Citation.Page_last 3681 _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 Yang Li Y. . . . 27996 1 2 Sarah Sheftic S. R. . . 27996 1 3 Simina Grigoriu S. . . . 27996 1 4 Charles Schwieters C. D. . . 27996 1 5 Rebecca Page R. . . . 27996 1 6 Wolfgang Peti W. . . . 27996 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27996 _Assembly.ID 1 _Assembly.Name 'Calcineurin catalytic subunit A residues 27-348 in complex with RCAN1 residues 128-164' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Calcineurin 1 $Calcineurin_catalytic_subunit_A_residues_27-348 A . yes native no no . . . 27996 1 2 RCAN1 2 $RCAN1_residues_128-164 B . no native no no . . . 27996 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calcineurin_catalytic_subunit_A_residues_27-348 _Entity.Sf_category entity _Entity.Sf_framecode Calcineurin_catalytic_subunit_A_residues_27-348 _Entity.Entry_ID 27996 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Calcineurin catalytic subunit A residues 27-348' _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 ; GHMHRLTAKEVFDNDGKPRV DILKAHLMKEGRLEESVALR IITEGASILRQEKNLLDIDA PVTVCGDIHGQFFDLMKLFE VGGSPANTRYLFLGDYVDRG YFSIECVLYLWALKILYPKT LFLLRGNHECRHLTEYFTFK QECKIKYSERVYDACMDAFD CLPLAALMNQQFLCVHGGLS PEINTLDDIRKLDRFKEPPA YGPMCDILWSDPLEDFGNEK TQEHFTHNTVRGCSYFYSYP AVCEFLQHNNLLSILRAHEA QDAGYRMYRKSQTTGFPSLI TIFSAPNYLDVYNNKAAVLK YENNVMNIRQFNCSPHPYWL PNFMDDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue H 4 is residue H 27 in calcineurin sequence' _Entity.Polymer_author_seq_details ; GHM are cloning artifact; calcineurin sequence starts with HRLT; the C-terminal DD are introduced to increase solubility. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 327 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q08209 . . . . . . . . . . . . . . . . 27996 1 2 yes UNP P53805-2 . . . . . . . . . . . . . . . . 27996 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27996 1 2 . HIS . 27996 1 3 . MET . 27996 1 4 . HIS . 27996 1 5 . ARG . 27996 1 6 . LEU . 27996 1 7 . THR . 27996 1 8 . ALA . 27996 1 9 . LYS . 27996 1 10 . GLU . 27996 1 11 . VAL . 27996 1 12 . PHE . 27996 1 13 . ASP . 27996 1 14 . ASN . 27996 1 15 . ASP . 27996 1 16 . GLY . 27996 1 17 . LYS . 27996 1 18 . PRO . 27996 1 19 . ARG . 27996 1 20 . VAL . 27996 1 21 . ASP . 27996 1 22 . ILE . 27996 1 23 . LEU . 27996 1 24 . LYS . 27996 1 25 . ALA . 27996 1 26 . HIS . 27996 1 27 . LEU . 27996 1 28 . MET . 27996 1 29 . LYS . 27996 1 30 . GLU . 27996 1 31 . GLY . 27996 1 32 . ARG . 27996 1 33 . LEU . 27996 1 34 . GLU . 27996 1 35 . GLU . 27996 1 36 . SER . 27996 1 37 . VAL . 27996 1 38 . ALA . 27996 1 39 . LEU . 27996 1 40 . ARG . 27996 1 41 . ILE . 27996 1 42 . ILE . 27996 1 43 . THR . 27996 1 44 . GLU . 27996 1 45 . GLY . 27996 1 46 . ALA . 27996 1 47 . SER . 27996 1 48 . ILE . 27996 1 49 . LEU . 27996 1 50 . ARG . 27996 1 51 . GLN . 27996 1 52 . GLU . 27996 1 53 . LYS . 27996 1 54 . ASN . 27996 1 55 . LEU . 27996 1 56 . LEU . 27996 1 57 . ASP . 27996 1 58 . ILE . 27996 1 59 . ASP . 27996 1 60 . ALA . 27996 1 61 . PRO . 27996 1 62 . VAL . 27996 1 63 . THR . 27996 1 64 . VAL . 27996 1 65 . CYS . 27996 1 66 . GLY . 27996 1 67 . ASP . 27996 1 68 . ILE . 27996 1 69 . HIS . 27996 1 70 . GLY . 27996 1 71 . GLN . 27996 1 72 . PHE . 27996 1 73 . PHE . 27996 1 74 . ASP . 27996 1 75 . LEU . 27996 1 76 . MET . 27996 1 77 . LYS . 27996 1 78 . LEU . 27996 1 79 . PHE . 27996 1 80 . GLU . 27996 1 81 . VAL . 27996 1 82 . GLY . 27996 1 83 . GLY . 27996 1 84 . SER . 27996 1 85 . PRO . 27996 1 86 . ALA . 27996 1 87 . ASN . 27996 1 88 . THR . 27996 1 89 . ARG . 27996 1 90 . TYR . 27996 1 91 . LEU . 27996 1 92 . PHE . 27996 1 93 . LEU . 27996 1 94 . GLY . 27996 1 95 . ASP . 27996 1 96 . TYR . 27996 1 97 . VAL . 27996 1 98 . ASP . 27996 1 99 . ARG . 27996 1 100 . GLY . 27996 1 101 . TYR . 27996 1 102 . PHE . 27996 1 103 . SER . 27996 1 104 . ILE . 27996 1 105 . GLU . 27996 1 106 . CYS . 27996 1 107 . VAL . 27996 1 108 . LEU . 27996 1 109 . TYR . 27996 1 110 . LEU . 27996 1 111 . TRP . 27996 1 112 . ALA . 27996 1 113 . LEU . 27996 1 114 . LYS . 27996 1 115 . ILE . 27996 1 116 . LEU . 27996 1 117 . TYR . 27996 1 118 . PRO . 27996 1 119 . LYS . 27996 1 120 . THR . 27996 1 121 . LEU . 27996 1 122 . PHE . 27996 1 123 . LEU . 27996 1 124 . LEU . 27996 1 125 . ARG . 27996 1 126 . GLY . 27996 1 127 . ASN . 27996 1 128 . HIS . 27996 1 129 . GLU . 27996 1 130 . CYS . 27996 1 131 . ARG . 27996 1 132 . HIS . 27996 1 133 . LEU . 27996 1 134 . THR . 27996 1 135 . GLU . 27996 1 136 . TYR . 27996 1 137 . PHE . 27996 1 138 . THR . 27996 1 139 . PHE . 27996 1 140 . LYS . 27996 1 141 . GLN . 27996 1 142 . GLU . 27996 1 143 . CYS . 27996 1 144 . LYS . 27996 1 145 . ILE . 27996 1 146 . LYS . 27996 1 147 . TYR . 27996 1 148 . SER . 27996 1 149 . GLU . 27996 1 150 . ARG . 27996 1 151 . VAL . 27996 1 152 . TYR . 27996 1 153 . ASP . 27996 1 154 . ALA . 27996 1 155 . CYS . 27996 1 156 . MET . 27996 1 157 . ASP . 27996 1 158 . ALA . 27996 1 159 . PHE . 27996 1 160 . ASP . 27996 1 161 . CYS . 27996 1 162 . LEU . 27996 1 163 . PRO . 27996 1 164 . LEU . 27996 1 165 . ALA . 27996 1 166 . ALA . 27996 1 167 . LEU . 27996 1 168 . MET . 27996 1 169 . ASN . 27996 1 170 . GLN . 27996 1 171 . GLN . 27996 1 172 . PHE . 27996 1 173 . LEU . 27996 1 174 . CYS . 27996 1 175 . VAL . 27996 1 176 . HIS . 27996 1 177 . GLY . 27996 1 178 . GLY . 27996 1 179 . LEU . 27996 1 180 . SER . 27996 1 181 . PRO . 27996 1 182 . GLU . 27996 1 183 . ILE . 27996 1 184 . ASN . 27996 1 185 . THR . 27996 1 186 . LEU . 27996 1 187 . ASP . 27996 1 188 . ASP . 27996 1 189 . ILE . 27996 1 190 . ARG . 27996 1 191 . LYS . 27996 1 192 . LEU . 27996 1 193 . ASP . 27996 1 194 . ARG . 27996 1 195 . PHE . 27996 1 196 . LYS . 27996 1 197 . GLU . 27996 1 198 . PRO . 27996 1 199 . PRO . 27996 1 200 . ALA . 27996 1 201 . TYR . 27996 1 202 . GLY . 27996 1 203 . PRO . 27996 1 204 . MET . 27996 1 205 . CYS . 27996 1 206 . ASP . 27996 1 207 . ILE . 27996 1 208 . LEU . 27996 1 209 . TRP . 27996 1 210 . SER . 27996 1 211 . ASP . 27996 1 212 . PRO . 27996 1 213 . LEU . 27996 1 214 . GLU . 27996 1 215 . ASP . 27996 1 216 . PHE . 27996 1 217 . GLY . 27996 1 218 . ASN . 27996 1 219 . GLU . 27996 1 220 . LYS . 27996 1 221 . THR . 27996 1 222 . GLN . 27996 1 223 . GLU . 27996 1 224 . HIS . 27996 1 225 . PHE . 27996 1 226 . THR . 27996 1 227 . HIS . 27996 1 228 . ASN . 27996 1 229 . THR . 27996 1 230 . VAL . 27996 1 231 . ARG . 27996 1 232 . GLY . 27996 1 233 . CYS . 27996 1 234 . SER . 27996 1 235 . TYR . 27996 1 236 . PHE . 27996 1 237 . TYR . 27996 1 238 . SER . 27996 1 239 . TYR . 27996 1 240 . PRO . 27996 1 241 . ALA . 27996 1 242 . VAL . 27996 1 243 . CYS . 27996 1 244 . GLU . 27996 1 245 . PHE . 27996 1 246 . LEU . 27996 1 247 . GLN . 27996 1 248 . HIS . 27996 1 249 . ASN . 27996 1 250 . ASN . 27996 1 251 . LEU . 27996 1 252 . LEU . 27996 1 253 . SER . 27996 1 254 . ILE . 27996 1 255 . LEU . 27996 1 256 . ARG . 27996 1 257 . ALA . 27996 1 258 . HIS . 27996 1 259 . GLU . 27996 1 260 . ALA . 27996 1 261 . GLN . 27996 1 262 . ASP . 27996 1 263 . ALA . 27996 1 264 . GLY . 27996 1 265 . TYR . 27996 1 266 . ARG . 27996 1 267 . MET . 27996 1 268 . TYR . 27996 1 269 . ARG . 27996 1 270 . LYS . 27996 1 271 . SER . 27996 1 272 . GLN . 27996 1 273 . THR . 27996 1 274 . THR . 27996 1 275 . GLY . 27996 1 276 . PHE . 27996 1 277 . PRO . 27996 1 278 . SER . 27996 1 279 . LEU . 27996 1 280 . ILE . 27996 1 281 . THR . 27996 1 282 . ILE . 27996 1 283 . PHE . 27996 1 284 . SER . 27996 1 285 . ALA . 27996 1 286 . PRO . 27996 1 287 . ASN . 27996 1 288 . TYR . 27996 1 289 . LEU . 27996 1 290 . ASP . 27996 1 291 . VAL . 27996 1 292 . TYR . 27996 1 293 . ASN . 27996 1 294 . ASN . 27996 1 295 . LYS . 27996 1 296 . ALA . 27996 1 297 . ALA . 27996 1 298 . VAL . 27996 1 299 . LEU . 27996 1 300 . LYS . 27996 1 301 . TYR . 27996 1 302 . GLU . 27996 1 303 . ASN . 27996 1 304 . ASN . 27996 1 305 . VAL . 27996 1 306 . MET . 27996 1 307 . ASN . 27996 1 308 . ILE . 27996 1 309 . ARG . 27996 1 310 . GLN . 27996 1 311 . PHE . 27996 1 312 . ASN . 27996 1 313 . CYS . 27996 1 314 . SER . 27996 1 315 . PRO . 27996 1 316 . HIS . 27996 1 317 . PRO . 27996 1 318 . TYR . 27996 1 319 . TRP . 27996 1 320 . LEU . 27996 1 321 . PRO . 27996 1 322 . ASN . 27996 1 323 . PHE . 27996 1 324 . MET . 27996 1 325 . ASP . 27996 1 326 . ASP . 27996 1 327 . ASP . 27996 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27996 1 . HIS 2 2 27996 1 . MET 3 3 27996 1 . HIS 4 4 27996 1 . ARG 5 5 27996 1 . LEU 6 6 27996 1 . THR 7 7 27996 1 . ALA 8 8 27996 1 . LYS 9 9 27996 1 . GLU 10 10 27996 1 . VAL 11 11 27996 1 . PHE 12 12 27996 1 . ASP 13 13 27996 1 . ASN 14 14 27996 1 . ASP 15 15 27996 1 . GLY 16 16 27996 1 . LYS 17 17 27996 1 . PRO 18 18 27996 1 . ARG 19 19 27996 1 . VAL 20 20 27996 1 . ASP 21 21 27996 1 . ILE 22 22 27996 1 . LEU 23 23 27996 1 . LYS 24 24 27996 1 . ALA 25 25 27996 1 . HIS 26 26 27996 1 . LEU 27 27 27996 1 . MET 28 28 27996 1 . LYS 29 29 27996 1 . GLU 30 30 27996 1 . GLY 31 31 27996 1 . ARG 32 32 27996 1 . LEU 33 33 27996 1 . GLU 34 34 27996 1 . GLU 35 35 27996 1 . SER 36 36 27996 1 . VAL 37 37 27996 1 . ALA 38 38 27996 1 . LEU 39 39 27996 1 . ARG 40 40 27996 1 . ILE 41 41 27996 1 . ILE 42 42 27996 1 . THR 43 43 27996 1 . GLU 44 44 27996 1 . GLY 45 45 27996 1 . ALA 46 46 27996 1 . SER 47 47 27996 1 . ILE 48 48 27996 1 . LEU 49 49 27996 1 . ARG 50 50 27996 1 . GLN 51 51 27996 1 . GLU 52 52 27996 1 . LYS 53 53 27996 1 . ASN 54 54 27996 1 . LEU 55 55 27996 1 . LEU 56 56 27996 1 . ASP 57 57 27996 1 . ILE 58 58 27996 1 . ASP 59 59 27996 1 . ALA 60 60 27996 1 . PRO 61 61 27996 1 . VAL 62 62 27996 1 . THR 63 63 27996 1 . VAL 64 64 27996 1 . CYS 65 65 27996 1 . GLY 66 66 27996 1 . ASP 67 67 27996 1 . ILE 68 68 27996 1 . HIS 69 69 27996 1 . GLY 70 70 27996 1 . GLN 71 71 27996 1 . PHE 72 72 27996 1 . PHE 73 73 27996 1 . ASP 74 74 27996 1 . LEU 75 75 27996 1 . MET 76 76 27996 1 . LYS 77 77 27996 1 . LEU 78 78 27996 1 . PHE 79 79 27996 1 . GLU 80 80 27996 1 . VAL 81 81 27996 1 . GLY 82 82 27996 1 . GLY 83 83 27996 1 . SER 84 84 27996 1 . PRO 85 85 27996 1 . ALA 86 86 27996 1 . ASN 87 87 27996 1 . THR 88 88 27996 1 . ARG 89 89 27996 1 . TYR 90 90 27996 1 . LEU 91 91 27996 1 . PHE 92 92 27996 1 . LEU 93 93 27996 1 . GLY 94 94 27996 1 . ASP 95 95 27996 1 . TYR 96 96 27996 1 . VAL 97 97 27996 1 . ASP 98 98 27996 1 . ARG 99 99 27996 1 . GLY 100 100 27996 1 . TYR 101 101 27996 1 . PHE 102 102 27996 1 . SER 103 103 27996 1 . ILE 104 104 27996 1 . GLU 105 105 27996 1 . CYS 106 106 27996 1 . VAL 107 107 27996 1 . LEU 108 108 27996 1 . TYR 109 109 27996 1 . LEU 110 110 27996 1 . TRP 111 111 27996 1 . ALA 112 112 27996 1 . LEU 113 113 27996 1 . LYS 114 114 27996 1 . ILE 115 115 27996 1 . LEU 116 116 27996 1 . TYR 117 117 27996 1 . PRO 118 118 27996 1 . LYS 119 119 27996 1 . THR 120 120 27996 1 . LEU 121 121 27996 1 . PHE 122 122 27996 1 . LEU 123 123 27996 1 . LEU 124 124 27996 1 . ARG 125 125 27996 1 . GLY 126 126 27996 1 . ASN 127 127 27996 1 . HIS 128 128 27996 1 . GLU 129 129 27996 1 . CYS 130 130 27996 1 . ARG 131 131 27996 1 . HIS 132 132 27996 1 . LEU 133 133 27996 1 . THR 134 134 27996 1 . GLU 135 135 27996 1 . TYR 136 136 27996 1 . PHE 137 137 27996 1 . THR 138 138 27996 1 . PHE 139 139 27996 1 . LYS 140 140 27996 1 . GLN 141 141 27996 1 . GLU 142 142 27996 1 . CYS 143 143 27996 1 . LYS 144 144 27996 1 . ILE 145 145 27996 1 . LYS 146 146 27996 1 . TYR 147 147 27996 1 . SER 148 148 27996 1 . GLU 149 149 27996 1 . ARG 150 150 27996 1 . VAL 151 151 27996 1 . TYR 152 152 27996 1 . ASP 153 153 27996 1 . ALA 154 154 27996 1 . CYS 155 155 27996 1 . MET 156 156 27996 1 . ASP 157 157 27996 1 . ALA 158 158 27996 1 . PHE 159 159 27996 1 . ASP 160 160 27996 1 . CYS 161 161 27996 1 . LEU 162 162 27996 1 . PRO 163 163 27996 1 . LEU 164 164 27996 1 . ALA 165 165 27996 1 . ALA 166 166 27996 1 . LEU 167 167 27996 1 . MET 168 168 27996 1 . ASN 169 169 27996 1 . GLN 170 170 27996 1 . GLN 171 171 27996 1 . PHE 172 172 27996 1 . LEU 173 173 27996 1 . CYS 174 174 27996 1 . VAL 175 175 27996 1 . HIS 176 176 27996 1 . GLY 177 177 27996 1 . GLY 178 178 27996 1 . LEU 179 179 27996 1 . SER 180 180 27996 1 . PRO 181 181 27996 1 . GLU 182 182 27996 1 . ILE 183 183 27996 1 . ASN 184 184 27996 1 . THR 185 185 27996 1 . LEU 186 186 27996 1 . ASP 187 187 27996 1 . ASP 188 188 27996 1 . ILE 189 189 27996 1 . ARG 190 190 27996 1 . LYS 191 191 27996 1 . LEU 192 192 27996 1 . ASP 193 193 27996 1 . ARG 194 194 27996 1 . PHE 195 195 27996 1 . LYS 196 196 27996 1 . GLU 197 197 27996 1 . PRO 198 198 27996 1 . PRO 199 199 27996 1 . ALA 200 200 27996 1 . TYR 201 201 27996 1 . GLY 202 202 27996 1 . PRO 203 203 27996 1 . MET 204 204 27996 1 . CYS 205 205 27996 1 . ASP 206 206 27996 1 . ILE 207 207 27996 1 . LEU 208 208 27996 1 . TRP 209 209 27996 1 . SER 210 210 27996 1 . ASP 211 211 27996 1 . PRO 212 212 27996 1 . LEU 213 213 27996 1 . GLU 214 214 27996 1 . ASP 215 215 27996 1 . PHE 216 216 27996 1 . GLY 217 217 27996 1 . ASN 218 218 27996 1 . GLU 219 219 27996 1 . LYS 220 220 27996 1 . THR 221 221 27996 1 . GLN 222 222 27996 1 . GLU 223 223 27996 1 . HIS 224 224 27996 1 . PHE 225 225 27996 1 . THR 226 226 27996 1 . HIS 227 227 27996 1 . ASN 228 228 27996 1 . THR 229 229 27996 1 . VAL 230 230 27996 1 . ARG 231 231 27996 1 . GLY 232 232 27996 1 . CYS 233 233 27996 1 . SER 234 234 27996 1 . TYR 235 235 27996 1 . PHE 236 236 27996 1 . TYR 237 237 27996 1 . SER 238 238 27996 1 . TYR 239 239 27996 1 . PRO 240 240 27996 1 . ALA 241 241 27996 1 . VAL 242 242 27996 1 . CYS 243 243 27996 1 . GLU 244 244 27996 1 . PHE 245 245 27996 1 . LEU 246 246 27996 1 . GLN 247 247 27996 1 . HIS 248 248 27996 1 . ASN 249 249 27996 1 . ASN 250 250 27996 1 . LEU 251 251 27996 1 . LEU 252 252 27996 1 . SER 253 253 27996 1 . ILE 254 254 27996 1 . LEU 255 255 27996 1 . ARG 256 256 27996 1 . ALA 257 257 27996 1 . HIS 258 258 27996 1 . GLU 259 259 27996 1 . ALA 260 260 27996 1 . GLN 261 261 27996 1 . ASP 262 262 27996 1 . ALA 263 263 27996 1 . GLY 264 264 27996 1 . TYR 265 265 27996 1 . ARG 266 266 27996 1 . MET 267 267 27996 1 . TYR 268 268 27996 1 . ARG 269 269 27996 1 . LYS 270 270 27996 1 . SER 271 271 27996 1 . GLN 272 272 27996 1 . THR 273 273 27996 1 . THR 274 274 27996 1 . GLY 275 275 27996 1 . PHE 276 276 27996 1 . PRO 277 277 27996 1 . SER 278 278 27996 1 . LEU 279 279 27996 1 . ILE 280 280 27996 1 . THR 281 281 27996 1 . ILE 282 282 27996 1 . PHE 283 283 27996 1 . SER 284 284 27996 1 . ALA 285 285 27996 1 . PRO 286 286 27996 1 . ASN 287 287 27996 1 . TYR 288 288 27996 1 . LEU 289 289 27996 1 . ASP 290 290 27996 1 . VAL 291 291 27996 1 . TYR 292 292 27996 1 . ASN 293 293 27996 1 . ASN 294 294 27996 1 . LYS 295 295 27996 1 . ALA 296 296 27996 1 . ALA 297 297 27996 1 . VAL 298 298 27996 1 . LEU 299 299 27996 1 . LYS 300 300 27996 1 . TYR 301 301 27996 1 . GLU 302 302 27996 1 . ASN 303 303 27996 1 . ASN 304 304 27996 1 . VAL 305 305 27996 1 . MET 306 306 27996 1 . ASN 307 307 27996 1 . ILE 308 308 27996 1 . ARG 309 309 27996 1 . GLN 310 310 27996 1 . PHE 311 311 27996 1 . ASN 312 312 27996 1 . CYS 313 313 27996 1 . SER 314 314 27996 1 . PRO 315 315 27996 1 . HIS 316 316 27996 1 . PRO 317 317 27996 1 . TYR 318 318 27996 1 . TRP 319 319 27996 1 . LEU 320 320 27996 1 . PRO 321 321 27996 1 . ASN 322 322 27996 1 . PHE 323 323 27996 1 . MET 324 324 27996 1 . ASP 325 325 27996 1 . ASP 326 326 27996 1 . ASP 327 327 27996 1 stop_ save_ save_RCAN1_residues_128-164 _Entity.Sf_category entity _Entity.Sf_framecode RCAN1_residues_128-164 _Entity.Entry_ID 27996 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'RCAN1 residues 128-164' _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 ; GHMNYDLLYAISKLGPGEKY ELHAATDTTPSVVITVCESD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue N 4 is residue N 128 in RCAN1 sequence' _Entity.Polymer_author_seq_details 'GHM are cloning artifact; RCAN1 sequence starts with NYDL' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; V158I H159T ; _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P53805-2 . RCAN1 . . . . . . . . . . . . . . 27996 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27996 2 2 . HIS . 27996 2 3 . MET . 27996 2 4 . ASN . 27996 2 5 . TYR . 27996 2 6 . ASP . 27996 2 7 . LEU . 27996 2 8 . LEU . 27996 2 9 . TYR . 27996 2 10 . ALA . 27996 2 11 . ILE . 27996 2 12 . SER . 27996 2 13 . LYS . 27996 2 14 . LEU . 27996 2 15 . GLY . 27996 2 16 . PRO . 27996 2 17 . GLY . 27996 2 18 . GLU . 27996 2 19 . LYS . 27996 2 20 . TYR . 27996 2 21 . GLU . 27996 2 22 . LEU . 27996 2 23 . HIS . 27996 2 24 . ALA . 27996 2 25 . ALA . 27996 2 26 . THR . 27996 2 27 . ASP . 27996 2 28 . THR . 27996 2 29 . THR . 27996 2 30 . PRO . 27996 2 31 . SER . 27996 2 32 . VAL . 27996 2 33 . VAL . 27996 2 34 . ILE . 27996 2 35 . THR . 27996 2 36 . VAL . 27996 2 37 . CYS . 27996 2 38 . GLU . 27996 2 39 . SER . 27996 2 40 . ASP . 27996 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27996 2 . HIS 2 2 27996 2 . MET 3 3 27996 2 . ASN 4 4 27996 2 . TYR 5 5 27996 2 . ASP 6 6 27996 2 . LEU 7 7 27996 2 . LEU 8 8 27996 2 . TYR 9 9 27996 2 . ALA 10 10 27996 2 . ILE 11 11 27996 2 . SER 12 12 27996 2 . LYS 13 13 27996 2 . LEU 14 14 27996 2 . GLY 15 15 27996 2 . PRO 16 16 27996 2 . GLY 17 17 27996 2 . GLU 18 18 27996 2 . LYS 19 19 27996 2 . TYR 20 20 27996 2 . GLU 21 21 27996 2 . LEU 22 22 27996 2 . HIS 23 23 27996 2 . ALA 24 24 27996 2 . ALA 25 25 27996 2 . THR 26 26 27996 2 . ASP 27 27 27996 2 . THR 28 28 27996 2 . THR 29 29 27996 2 . PRO 30 30 27996 2 . SER 31 31 27996 2 . VAL 32 32 27996 2 . VAL 33 33 27996 2 . ILE 34 34 27996 2 . THR 35 35 27996 2 . VAL 36 36 27996 2 . CYS 37 37 27996 2 . GLU 38 38 27996 2 . SER 39 39 27996 2 . ASP 40 40 27996 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27996 _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 $Calcineurin_catalytic_subunit_A_residues_27-348 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27996 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27996 _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 $Calcineurin_catalytic_subunit_A_residues_27-348 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . RP1B . . . 27996 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27996 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Calcineurin catalytic subunit A residues 27-348' '[U-13C; U-15N; U-2H]' . . 1 $Calcineurin_catalytic_subunit_A_residues_27-348 . . 0.13 . . mM . . . . 27996 1 2 'RCAN1 residues 128-164' 'natural abundance' . . 2 $RCAN1_residues_128-164 . . 0.65 . . mM . . . . 27996 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27996 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27996 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 27996 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27996 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 27996 1 pH 6.8 . pH 27996 1 pressure 1 . atm 27996 1 temperature 298 . K 27996 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27996 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27996 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27996 1 . processing 27996 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27996 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27996 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27996 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27996 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with a 5 mm TCI HCN z-gradient cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27996 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 'equipped with a 5 mm TCI HCN z-gradient cryoprobe' . . 27996 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27996 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27996 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27996 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27996 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27996 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27996 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27996 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27996 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27996 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27996 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 27996 1 2 '3D HNCA' . . . 27996 1 3 '3D HNCACB' . . . 27996 1 4 '3D HN(CO)CA' . . . 27996 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 5 5 ARG H H 1 8.399 0.020 . 1 . . . . . 5 ARG H . 27996 1 2 . 1 . 1 5 5 ARG CA C 13 55.244 0.3 . 1 . . . . . 5 ARG CA . 27996 1 3 . 1 . 1 5 5 ARG CB C 13 30.387 0.3 . 1 . . . . . 5 ARG CB . 27996 1 4 . 1 . 1 5 5 ARG N N 15 125.854 0.2 . 1 . . . . . 5 ARG N . 27996 1 5 . 1 . 1 6 6 LEU H H 1 7.126 0.020 . 1 . . . . . 6 LEU H . 27996 1 6 . 1 . 1 6 6 LEU CA C 13 56.102 0.3 . 1 . . . . . 6 LEU CA . 27996 1 7 . 1 . 1 6 6 LEU CB C 13 42.511 0.3 . 1 . . . . . 6 LEU CB . 27996 1 8 . 1 . 1 6 6 LEU N N 15 121.157 0.2 . 1 . . . . . 6 LEU N . 27996 1 9 . 1 . 1 7 7 THR H H 1 8.39 0.020 . 1 . . . . . 7 THR H . 27996 1 10 . 1 . 1 7 7 THR CA C 13 61.15 0.3 . 1 . . . . . 7 THR CA . 27996 1 11 . 1 . 1 7 7 THR CB C 13 73.007 0.3 . 1 . . . . . 7 THR CB . 27996 1 12 . 1 . 1 7 7 THR N N 15 113.202 0.2 . 1 . . . . . 7 THR N . 27996 1 13 . 1 . 1 8 8 ALA H H 1 9.124 0.020 . 1 . . . . . 8 ALA H . 27996 1 14 . 1 . 1 8 8 ALA CA C 13 56.596 0.3 . 1 . . . . . 8 ALA CA . 27996 1 15 . 1 . 1 8 8 ALA CB C 13 17.864 0.3 . 1 . . . . . 8 ALA CB . 27996 1 16 . 1 . 1 8 8 ALA N N 15 123.571 0.2 . 1 . . . . . 8 ALA N . 27996 1 17 . 1 . 1 9 9 LYS H H 1 7.954 0.020 . 1 . . . . . 9 LYS H . 27996 1 18 . 1 . 1 9 9 LYS CA C 13 58.537 0.3 . 1 . . . . . 9 LYS CA . 27996 1 19 . 1 . 1 9 9 LYS CB C 13 31.669 0.3 . 1 . . . . . 9 LYS CB . 27996 1 20 . 1 . 1 9 9 LYS N N 15 115.921 0.2 . 1 . . . . . 9 LYS N . 27996 1 21 . 1 . 1 10 10 GLU H H 1 7.15 0.020 . 1 . . . . . 10 GLU H . 27996 1 22 . 1 . 1 10 10 GLU CA C 13 58.29 0.3 . 1 . . . . . 10 GLU CA . 27996 1 23 . 1 . 1 10 10 GLU CB C 13 31.477 0.3 . 1 . . . . . 10 GLU CB . 27996 1 24 . 1 . 1 10 10 GLU N N 15 116.067 0.2 . 1 . . . . . 10 GLU N . 27996 1 25 . 1 . 1 11 11 VAL H H 1 7.416 0.020 . 1 . . . . . 11 VAL H . 27996 1 26 . 1 . 1 11 11 VAL CA C 13 64.657 0.3 . 1 . . . . . 11 VAL CA . 27996 1 27 . 1 . 1 11 11 VAL CB C 13 33.784 0.3 . 1 . . . . . 11 VAL CB . 27996 1 28 . 1 . 1 11 11 VAL N N 15 116.341 0.2 . 1 . . . . . 11 VAL N . 27996 1 29 . 1 . 1 12 12 PHE H H 1 8.054 0.020 . 1 . . . . . 12 PHE H . 27996 1 30 . 1 . 1 12 12 PHE CA C 13 57.632 0.3 . 1 . . . . . 12 PHE CA . 27996 1 31 . 1 . 1 12 12 PHE CB C 13 40.898 0.3 . 1 . . . . . 12 PHE CB . 27996 1 32 . 1 . 1 12 12 PHE N N 15 117.689 0.2 . 1 . . . . . 12 PHE N . 27996 1 33 . 1 . 1 13 13 ASP H H 1 8.754 0.020 . 1 . . . . . 13 ASP H . 27996 1 34 . 1 . 1 13 13 ASP CA C 13 52.889 0.3 . 1 . . . . . 13 ASP CA . 27996 1 35 . 1 . 1 13 13 ASP CB C 13 41.07 0.3 . 1 . . . . . 13 ASP CB . 27996 1 36 . 1 . 1 13 13 ASP N N 15 122.215 0.2 . 1 . . . . . 13 ASP N . 27996 1 37 . 1 . 1 15 15 ASP H H 1 8.157 0.020 . 1 . . . . . 15 ASP H . 27996 1 38 . 1 . 1 15 15 ASP CA C 13 54.59 0.3 . 1 . . . . . 15 ASP CA . 27996 1 39 . 1 . 1 15 15 ASP CB C 13 41.79 0.3 . 1 . . . . . 15 ASP CB . 27996 1 40 . 1 . 1 15 15 ASP N N 15 118.636 0.2 . 1 . . . . . 15 ASP N . 27996 1 41 . 1 . 1 16 16 GLY H H 1 8.085 0.020 . 1 . . . . . 16 GLY H . 27996 1 42 . 1 . 1 16 16 GLY CA C 13 45.611 0.3 . 1 . . . . . 16 GLY CA . 27996 1 43 . 1 . 1 16 16 GLY N N 15 108.545 0.2 . 1 . . . . . 16 GLY N . 27996 1 44 . 1 . 1 17 17 LYS H H 1 8.384 0.020 . 1 . . . . . 17 LYS H . 27996 1 45 . 1 . 1 17 17 LYS CA C 13 53.788 0.3 . 1 . . . . . 17 LYS CA . 27996 1 46 . 1 . 1 17 17 LYS CB C 13 31.124 0.3 . 1 . . . . . 17 LYS CB . 27996 1 47 . 1 . 1 17 17 LYS N N 15 121.932 0.2 . 1 . . . . . 17 LYS N . 27996 1 48 . 1 . 1 19 19 ARG H H 1 8.734 0.020 . 1 . . . . . 19 ARG H . 27996 1 49 . 1 . 1 19 19 ARG CA C 13 55.022 0.3 . 1 . . . . . 19 ARG CA . 27996 1 50 . 1 . 1 19 19 ARG CB C 13 27.953 0.3 . 1 . . . . . 19 ARG CB . 27996 1 51 . 1 . 1 19 19 ARG N N 15 123.346 0.2 . 1 . . . . . 19 ARG N . 27996 1 52 . 1 . 1 20 20 VAL H H 1 7.526 0.020 . 1 . . . . . 20 VAL H . 27996 1 53 . 1 . 1 20 20 VAL CA C 13 66.502 0.3 . 1 . . . . . 20 VAL CA . 27996 1 54 . 1 . 1 20 20 VAL CB C 13 30.98 0.3 . 1 . . . . . 20 VAL CB . 27996 1 55 . 1 . 1 20 20 VAL N N 15 120.056 0.2 . 1 . . . . . 20 VAL N . 27996 1 56 . 1 . 1 21 21 ASP H H 1 8.971 0.020 . 1 . . . . . 21 ASP H . 27996 1 57 . 1 . 1 21 21 ASP CA C 13 57.398 0.3 . 1 . . . . . 21 ASP CA . 27996 1 58 . 1 . 1 21 21 ASP CB C 13 38.691 0.3 . 1 . . . . . 21 ASP CB . 27996 1 59 . 1 . 1 21 21 ASP N N 15 121.674 0.2 . 1 . . . . . 21 ASP N . 27996 1 60 . 1 . 1 22 22 ILE H H 1 7.116 0.020 . 1 . . . . . 22 ILE H . 27996 1 61 . 1 . 1 22 22 ILE CA C 13 62.517 0.3 . 1 . . . . . 22 ILE CA . 27996 1 62 . 1 . 1 22 22 ILE CB C 13 36.412 0.3 . 1 . . . . . 22 ILE CB . 27996 1 63 . 1 . 1 22 22 ILE N N 15 123.814 0.2 . 1 . . . . . 22 ILE N . 27996 1 64 . 1 . 1 23 23 LEU H H 1 7.819 0.020 . 1 . . . . . 23 LEU H . 27996 1 65 . 1 . 1 23 23 LEU CA C 13 58.756 0.3 . 1 . . . . . 23 LEU CA . 27996 1 66 . 1 . 1 23 23 LEU CB C 13 42.511 0.3 . 1 . . . . . 23 LEU CB . 27996 1 67 . 1 . 1 23 23 LEU N N 15 119.373 0.2 . 1 . . . . . 23 LEU N . 27996 1 68 . 1 . 1 24 24 LYS H H 1 8.608 0.020 . 1 . . . . . 24 LYS H . 27996 1 69 . 1 . 1 24 24 LYS CA C 13 61.309 0.3 . 1 . . . . . 24 LYS CA . 27996 1 70 . 1 . 1 24 24 LYS CB C 13 32.566 0.3 . 1 . . . . . 24 LYS CB . 27996 1 71 . 1 . 1 24 24 LYS N N 15 118.791 0.2 . 1 . . . . . 24 LYS N . 27996 1 72 . 1 . 1 25 25 ALA H H 1 7.244 0.020 . 1 . . . . . 25 ALA H . 27996 1 73 . 1 . 1 25 25 ALA CA C 13 55.19 0.3 . 1 . . . . . 25 ALA CA . 27996 1 74 . 1 . 1 25 25 ALA CB C 13 17.826 0.3 . 1 . . . . . 25 ALA CB . 27996 1 75 . 1 . 1 25 25 ALA N N 15 117.672 0.2 . 1 . . . . . 25 ALA N . 27996 1 76 . 1 . 1 26 26 HIS H H 1 7.854 0.020 . 1 . . . . . 26 HIS H . 27996 1 77 . 1 . 1 26 26 HIS CA C 13 60.019 0.3 . 1 . . . . . 26 HIS CA . 27996 1 78 . 1 . 1 26 26 HIS CB C 13 36.988 0.3 . 1 . . . . . 26 HIS CB . 27996 1 79 . 1 . 1 26 26 HIS N N 15 116.959 0.2 . 1 . . . . . 26 HIS N . 27996 1 80 . 1 . 1 28 28 MET H H 1 8.223 0.020 . 1 . . . . . 28 MET H . 27996 1 81 . 1 . 1 28 28 MET CA C 13 59.278 0.3 . 1 . . . . . 28 MET CA . 27996 1 82 . 1 . 1 28 28 MET CB C 13 37.95 0.3 . 1 . . . . . 28 MET CB . 27996 1 83 . 1 . 1 28 28 MET N N 15 116.077 0.2 . 1 . . . . . 28 MET N . 27996 1 84 . 1 . 1 29 29 LYS H H 1 6.91 0.020 . 1 . . . . . 29 LYS H . 27996 1 85 . 1 . 1 29 29 LYS CA C 13 55.719 0.3 . 1 . . . . . 29 LYS CA . 27996 1 86 . 1 . 1 29 29 LYS CB C 13 31.553 0.3 . 1 . . . . . 29 LYS CB . 27996 1 87 . 1 . 1 29 29 LYS N N 15 117.484 0.2 . 1 . . . . . 29 LYS N . 27996 1 88 . 1 . 1 31 31 GLY H H 1 7.781 0.020 . 1 . . . . . 31 GLY H . 27996 1 89 . 1 . 1 31 31 GLY CA C 13 44.324 0.3 . 1 . . . . . 31 GLY CA . 27996 1 90 . 1 . 1 31 31 GLY N N 15 106.174 0.2 . 1 . . . . . 31 GLY N . 27996 1 91 . 1 . 1 32 32 ARG H H 1 8.821 0.020 . 1 . . . . . 32 ARG H . 27996 1 92 . 1 . 1 32 32 ARG CA C 13 54.092 0.3 . 1 . . . . . 32 ARG CA . 27996 1 93 . 1 . 1 32 32 ARG CB C 13 33.079 0.3 . 1 . . . . . 32 ARG CB . 27996 1 94 . 1 . 1 32 32 ARG N N 15 118.115 0.2 . 1 . . . . . 32 ARG N . 27996 1 95 . 1 . 1 33 33 LEU H H 1 8.341 0.020 . 1 . . . . . 33 LEU H . 27996 1 96 . 1 . 1 33 33 LEU CA C 13 54.096 0.3 . 1 . . . . . 33 LEU CA . 27996 1 97 . 1 . 1 33 33 LEU CB C 13 42.583 0.3 . 1 . . . . . 33 LEU CB . 27996 1 98 . 1 . 1 33 33 LEU N N 15 121.37 0.2 . 1 . . . . . 33 LEU N . 27996 1 99 . 1 . 1 34 34 GLU H H 1 8.606 0.020 . 1 . . . . . 34 GLU H . 27996 1 100 . 1 . 1 34 34 GLU CA C 13 58.818 0.3 . 1 . . . . . 34 GLU CA . 27996 1 101 . 1 . 1 34 34 GLU CB C 13 29.467 0.3 . 1 . . . . . 34 GLU CB . 27996 1 102 . 1 . 1 34 34 GLU N N 15 122.72 0.2 . 1 . . . . . 34 GLU N . 27996 1 103 . 1 . 1 35 35 GLU H H 1 9.295 0.020 . 1 . . . . . 35 GLU H . 27996 1 104 . 1 . 1 35 35 GLU CA C 13 62.242 0.3 . 1 . . . . . 35 GLU CA . 27996 1 105 . 1 . 1 35 35 GLU CB C 13 29.426 0.3 . 1 . . . . . 35 GLU CB . 27996 1 106 . 1 . 1 35 35 GLU N N 15 127.996 0.2 . 1 . . . . . 35 GLU N . 27996 1 107 . 1 . 1 36 36 SER H H 1 8.837 0.020 . 1 . . . . . 36 SER H . 27996 1 108 . 1 . 1 36 36 SER CA C 13 62.023 0.3 . 1 . . . . . 36 SER CA . 27996 1 109 . 1 . 1 36 36 SER N N 15 111.942 0.2 . 1 . . . . . 36 SER N . 27996 1 110 . 1 . 1 37 37 VAL H H 1 7.101 0.020 . 1 . . . . . 37 VAL H . 27996 1 111 . 1 . 1 37 37 VAL CA C 13 65.957 0.3 . 1 . . . . . 37 VAL CA . 27996 1 112 . 1 . 1 37 37 VAL CB C 13 31.028 0.3 . 1 . . . . . 37 VAL CB . 27996 1 113 . 1 . 1 37 37 VAL N N 15 125.038 0.2 . 1 . . . . . 37 VAL N . 27996 1 114 . 1 . 1 38 38 ALA H H 1 6.686 0.020 . 1 . . . . . 38 ALA H . 27996 1 115 . 1 . 1 38 38 ALA CA C 13 55.454 0.3 . 1 . . . . . 38 ALA CA . 27996 1 116 . 1 . 1 38 38 ALA CB C 13 18.368 0.3 . 1 . . . . . 38 ALA CB . 27996 1 117 . 1 . 1 38 38 ALA N N 15 118.801 0.2 . 1 . . . . . 38 ALA N . 27996 1 118 . 1 . 1 47 47 SER H H 1 7.813 0.020 . 1 . . . . . 47 SER H . 27996 1 119 . 1 . 1 47 47 SER CA C 13 62.113 0.3 . 1 . . . . . 47 SER CA . 27996 1 120 . 1 . 1 47 47 SER CB C 13 63.285 0.3 . 1 . . . . . 47 SER CB . 27996 1 121 . 1 . 1 47 47 SER N N 15 112.535 0.2 . 1 . . . . . 47 SER N . 27996 1 122 . 1 . 1 48 48 ILE H H 1 7.021 0.020 . 1 . . . . . 48 ILE H . 27996 1 123 . 1 . 1 48 48 ILE CA C 13 65.102 0.3 . 1 . . . . . 48 ILE CA . 27996 1 124 . 1 . 1 48 48 ILE CB C 13 38.545 0.3 . 1 . . . . . 48 ILE CB . 27996 1 125 . 1 . 1 48 48 ILE N N 15 122.2 0.2 . 1 . . . . . 48 ILE N . 27996 1 126 . 1 . 1 51 51 GLN H H 1 6.984 0.020 . 1 . . . . . 51 GLN H . 27996 1 127 . 1 . 1 51 51 GLN CA C 13 56.04 0.3 . 1 . . . . . 51 GLN CA . 27996 1 128 . 1 . 1 51 51 GLN CB C 13 29.682 0.3 . 1 . . . . . 51 GLN CB . 27996 1 129 . 1 . 1 51 51 GLN N N 15 111.839 0.2 . 1 . . . . . 51 GLN N . 27996 1 130 . 1 . 1 53 53 LYS H H 1 8.331 0.020 . 1 . . . . . 53 LYS H . 27996 1 131 . 1 . 1 53 53 LYS CA C 13 56.195 0.3 . 1 . . . . . 53 LYS CA . 27996 1 132 . 1 . 1 53 53 LYS CB C 13 33.286 0.3 . 1 . . . . . 53 LYS CB . 27996 1 133 . 1 . 1 53 53 LYS N N 15 122.401 0.2 . 1 . . . . . 53 LYS N . 27996 1 134 . 1 . 1 54 54 ASN H H 1 7.874 0.020 . 1 . . . . . 54 ASN H . 27996 1 135 . 1 . 1 54 54 ASN CA C 13 57.33 0.3 . 1 . . . . . 54 ASN CA . 27996 1 136 . 1 . 1 54 54 ASN CB C 13 40.065 0.3 . 1 . . . . . 54 ASN CB . 27996 1 137 . 1 . 1 54 54 ASN N N 15 112.826 0.2 . 1 . . . . . 54 ASN N . 27996 1 138 . 1 . 1 55 55 LEU H H 1 7.408 0.020 . 1 . . . . . 55 LEU H . 27996 1 139 . 1 . 1 55 55 LEU CA C 13 52.225 0.3 . 1 . . . . . 55 LEU CA . 27996 1 140 . 1 . 1 55 55 LEU CB C 13 44.116 0.3 . 1 . . . . . 55 LEU CB . 27996 1 141 . 1 . 1 55 55 LEU N N 15 116.337 0.2 . 1 . . . . . 55 LEU N . 27996 1 142 . 1 . 1 57 57 ASP H H 1 8.09 0.020 . 1 . . . . . 57 ASP H . 27996 1 143 . 1 . 1 57 57 ASP CA C 13 54.868 0.3 . 1 . . . . . 57 ASP CA . 27996 1 144 . 1 . 1 57 57 ASP CB C 13 42.223 0.3 . 1 . . . . . 57 ASP CB . 27996 1 145 . 1 . 1 57 57 ASP N N 15 121.879 0.2 . 1 . . . . . 57 ASP N . 27996 1 146 . 1 . 1 58 58 ILE H H 1 7.989 0.020 . 1 . . . . . 58 ILE H . 27996 1 147 . 1 . 1 58 58 ILE CA C 13 59.558 0.3 . 1 . . . . . 58 ILE CA . 27996 1 148 . 1 . 1 58 58 ILE CB C 13 41.358 0.3 . 1 . . . . . 58 ILE CB . 27996 1 149 . 1 . 1 58 58 ILE N N 15 122.511 0.2 . 1 . . . . . 58 ILE N . 27996 1 150 . 1 . 1 59 59 ASP H H 1 8.254 0.020 . 1 . . . . . 59 ASP H . 27996 1 151 . 1 . 1 59 59 ASP CA C 13 54.556 0.3 . 1 . . . . . 59 ASP CA . 27996 1 152 . 1 . 1 59 59 ASP CB C 13 41.806 0.3 . 1 . . . . . 59 ASP CB . 27996 1 153 . 1 . 1 59 59 ASP N N 15 128.063 0.2 . 1 . . . . . 59 ASP N . 27996 1 154 . 1 . 1 60 60 ALA H H 1 7.875 0.020 . 1 . . . . . 60 ALA H . 27996 1 155 . 1 . 1 60 60 ALA CA C 13 55.114 0.3 . 1 . . . . . 60 ALA CA . 27996 1 156 . 1 . 1 60 60 ALA CB C 13 17.576 0.3 . 1 . . . . . 60 ALA CB . 27996 1 157 . 1 . 1 60 60 ALA N N 15 120.194 0.2 . 1 . . . . . 60 ALA N . 27996 1 158 . 1 . 1 62 62 VAL H H 1 8.35 0.020 . 1 . . . . . 62 VAL H . 27996 1 159 . 1 . 1 62 62 VAL CA C 13 61.225 0.3 . 1 . . . . . 62 VAL CA . 27996 1 160 . 1 . 1 62 62 VAL CB C 13 33.719 0.3 . 1 . . . . . 62 VAL CB . 27996 1 161 . 1 . 1 62 62 VAL N N 15 120.422 0.2 . 1 . . . . . 62 VAL N . 27996 1 162 . 1 . 1 79 79 PHE H H 1 7.194 0.020 . 1 . . . . . 79 PHE H . 27996 1 163 . 1 . 1 79 79 PHE CA C 13 61.657 0.3 . 1 . . . . . 79 PHE CA . 27996 1 164 . 1 . 1 79 79 PHE CB C 13 38.947 0.3 . 1 . . . . . 79 PHE CB . 27996 1 165 . 1 . 1 79 79 PHE N N 15 115.814 0.2 . 1 . . . . . 79 PHE N . 27996 1 166 . 1 . 1 80 80 GLU H H 1 7.404 0.020 . 1 . . . . . 80 GLU H . 27996 1 167 . 1 . 1 80 80 GLU CA C 13 59.713 0.3 . 1 . . . . . 80 GLU CA . 27996 1 168 . 1 . 1 80 80 GLU CB C 13 29.106 0.3 . 1 . . . . . 80 GLU CB . 27996 1 169 . 1 . 1 80 80 GLU N N 15 121.365 0.2 . 1 . . . . . 80 GLU N . 27996 1 170 . 1 . 1 81 81 VAL H H 1 7.736 0.020 . 1 . . . . . 81 VAL H . 27996 1 171 . 1 . 1 81 81 VAL CA C 13 65.051 0.3 . 1 . . . . . 81 VAL CA . 27996 1 172 . 1 . 1 81 81 VAL CB C 13 31.629 0.3 . 1 . . . . . 81 VAL CB . 27996 1 173 . 1 . 1 81 81 VAL N N 15 119.068 0.2 . 1 . . . . . 81 VAL N . 27996 1 174 . 1 . 1 82 82 GLY H H 1 9.073 0.020 . 1 . . . . . 82 GLY H . 27996 1 175 . 1 . 1 82 82 GLY CA C 13 47.011 0.3 . 1 . . . . . 82 GLY CA . 27996 1 176 . 1 . 1 82 82 GLY N N 15 106.916 0.2 . 1 . . . . . 82 GLY N . 27996 1 177 . 1 . 1 83 83 GLY H H 1 7.251 0.020 . 1 . . . . . 83 GLY H . 27996 1 178 . 1 . 1 83 83 GLY CA C 13 43.462 0.3 . 1 . . . . . 83 GLY CA . 27996 1 179 . 1 . 1 83 83 GLY N N 15 107.852 0.2 . 1 . . . . . 83 GLY N . 27996 1 180 . 1 . 1 84 84 SER H H 1 8.537 0.020 . 1 . . . . . 84 SER H . 27996 1 181 . 1 . 1 84 84 SER CA C 13 56.452 0.3 . 1 . . . . . 84 SER CA . 27996 1 182 . 1 . 1 84 84 SER CB C 13 63.842 0.3 . 1 . . . . . 84 SER CB . 27996 1 183 . 1 . 1 84 84 SER N N 15 117.065 0.2 . 1 . . . . . 84 SER N . 27996 1 184 . 1 . 1 86 86 ALA H H 1 7.436 0.020 . 1 . . . . . 86 ALA H . 27996 1 185 . 1 . 1 86 86 ALA CA C 13 54.621 0.3 . 1 . . . . . 86 ALA CA . 27996 1 186 . 1 . 1 86 86 ALA CB C 13 18.44 0.3 . 1 . . . . . 86 ALA CB . 27996 1 187 . 1 . 1 86 86 ALA N N 15 118.017 0.2 . 1 . . . . . 86 ALA N . 27996 1 188 . 1 . 1 87 87 ASN H H 1 7.386 0.020 . 1 . . . . . 87 ASN H . 27996 1 189 . 1 . 1 87 87 ASN CA C 13 52.69 0.3 . 1 . . . . . 87 ASN CA . 27996 1 190 . 1 . 1 87 87 ASN CB C 13 40.001 0.3 . 1 . . . . . 87 ASN CB . 27996 1 191 . 1 . 1 87 87 ASN N N 15 111.021 0.2 . 1 . . . . . 87 ASN N . 27996 1 192 . 1 . 1 88 88 THR H H 1 7.1 0.020 . 1 . . . . . 88 THR H . 27996 1 193 . 1 . 1 88 88 THR CA C 13 62.953 0.3 . 1 . . . . . 88 THR CA . 27996 1 194 . 1 . 1 88 88 THR CB C 13 71.482 0.3 . 1 . . . . . 88 THR CB . 27996 1 195 . 1 . 1 88 88 THR N N 15 117.913 0.2 . 1 . . . . . 88 THR N . 27996 1 196 . 1 . 1 89 89 ARG H H 1 8.535 0.020 . 1 . . . . . 89 ARG H . 27996 1 197 . 1 . 1 89 89 ARG CA C 13 56.087 0.3 . 1 . . . . . 89 ARG CA . 27996 1 198 . 1 . 1 89 89 ARG CB C 13 31.028 0.3 . 1 . . . . . 89 ARG CB . 27996 1 199 . 1 . 1 89 89 ARG N N 15 126.811 0.2 . 1 . . . . . 89 ARG N . 27996 1 200 . 1 . 1 90 90 TYR H H 1 7.009 0.020 . 1 . . . . . 90 TYR H . 27996 1 201 . 1 . 1 90 90 TYR CA C 13 60.669 0.3 . 1 . . . . . 90 TYR CA . 27996 1 202 . 1 . 1 90 90 TYR CB C 13 38.655 0.3 . 1 . . . . . 90 TYR CB . 27996 1 203 . 1 . 1 90 90 TYR N N 15 119.179 0.2 . 1 . . . . . 90 TYR N . 27996 1 204 . 1 . 1 91 91 LEU H H 1 9.617 0.020 . 1 . . . . . 91 LEU H . 27996 1 205 . 1 . 1 91 91 LEU CA C 13 54.613 0.3 . 1 . . . . . 91 LEU CA . 27996 1 206 . 1 . 1 91 91 LEU CB C 13 42.052 0.3 . 1 . . . . . 91 LEU CB . 27996 1 207 . 1 . 1 91 91 LEU N N 15 124.925 0.2 . 1 . . . . . 91 LEU N . 27996 1 208 . 1 . 1 119 119 LYS H H 1 8.341 0.020 . 1 . . . . . 119 LYS H . 27996 1 209 . 1 . 1 119 119 LYS CA C 13 55.766 0.3 . 1 . . . . . 119 LYS CA . 27996 1 210 . 1 . 1 119 119 LYS CB C 13 32.502 0.3 . 1 . . . . . 119 LYS CB . 27996 1 211 . 1 . 1 119 119 LYS N N 15 114.978 0.2 . 1 . . . . . 119 LYS N . 27996 1 212 . 1 . 1 120 120 THR H H 1 7.075 0.020 . 1 . . . . . 120 THR H . 27996 1 213 . 1 . 1 120 120 THR CA C 13 62.811 0.3 . 1 . . . . . 120 THR CA . 27996 1 214 . 1 . 1 120 120 THR CB C 13 70.051 0.3 . 1 . . . . . 120 THR CB . 27996 1 215 . 1 . 1 120 120 THR N N 15 106.59 0.2 . 1 . . . . . 120 THR N . 27996 1 216 . 1 . 1 149 149 GLU H H 1 8.835 0.020 . 1 . . . . . 149 GLU H . 27996 1 217 . 1 . 1 149 149 GLU CA C 13 60.574 0.3 . 1 . . . . . 149 GLU CA . 27996 1 218 . 1 . 1 149 149 GLU CB C 13 28.4 0.3 . 1 . . . . . 149 GLU CB . 27996 1 219 . 1 . 1 149 149 GLU N N 15 124.756 0.2 . 1 . . . . . 149 GLU N . 27996 1 220 . 1 . 1 150 150 ARG H H 1 8.031 0.020 . 1 . . . . . 150 ARG H . 27996 1 221 . 1 . 1 150 150 ARG CA C 13 59.898 0.3 . 1 . . . . . 150 ARG CA . 27996 1 222 . 1 . 1 150 150 ARG CB C 13 29.323 0.3 . 1 . . . . . 150 ARG CB . 27996 1 223 . 1 . 1 150 150 ARG N N 15 119.058 0.2 . 1 . . . . . 150 ARG N . 27996 1 224 . 1 . 1 151 151 VAL H H 1 7.197 0.020 . 1 . . . . . 151 VAL H . 27996 1 225 . 1 . 1 151 151 VAL CA C 13 66.78 0.3 . 1 . . . . . 151 VAL CA . 27996 1 226 . 1 . 1 151 151 VAL CB C 13 31.413 0.3 . 1 . . . . . 151 VAL CB . 27996 1 227 . 1 . 1 151 151 VAL N N 15 119.804 0.2 . 1 . . . . . 151 VAL N . 27996 1 228 . 1 . 1 152 152 TYR H H 1 6.929 0.020 . 1 . . . . . 152 TYR H . 27996 1 229 . 1 . 1 152 152 TYR CA C 13 63.262 0.3 . 1 . . . . . 152 TYR CA . 27996 1 230 . 1 . 1 152 152 TYR CB C 13 37.106 0.3 . 1 . . . . . 152 TYR CB . 27996 1 231 . 1 . 1 152 152 TYR N N 15 121.36 0.2 . 1 . . . . . 152 TYR N . 27996 1 232 . 1 . 1 153 153 ASP H H 1 8.7 0.020 . 1 . . . . . 153 ASP H . 27996 1 233 . 1 . 1 153 153 ASP CA C 13 58.046 0.3 . 1 . . . . . 153 ASP CA . 27996 1 234 . 1 . 1 153 153 ASP CB C 13 39.845 0.3 . 1 . . . . . 153 ASP CB . 27996 1 235 . 1 . 1 153 153 ASP N N 15 120.577 0.2 . 1 . . . . . 153 ASP N . 27996 1 236 . 1 . 1 154 154 ALA H H 1 7.555 0.020 . 1 . . . . . 154 ALA H . 27996 1 237 . 1 . 1 154 154 ALA CA C 13 55.189 0.3 . 1 . . . . . 154 ALA CA . 27996 1 238 . 1 . 1 154 154 ALA CB C 13 17.569 0.3 . 1 . . . . . 154 ALA CB . 27996 1 239 . 1 . 1 154 154 ALA N N 15 121.68 0.2 . 1 . . . . . 154 ALA N . 27996 1 240 . 1 . 1 169 169 ASN H H 1 9.92 0.020 . 1 . . . . . 169 ASN H . 27996 1 241 . 1 . 1 169 169 ASN CA C 13 54.87 0.3 . 1 . . . . . 169 ASN CA . 27996 1 242 . 1 . 1 169 169 ASN CB C 13 41.411 0.3 . 1 . . . . . 169 ASN CB . 27996 1 243 . 1 . 1 169 169 ASN N N 15 131.833 0.2 . 1 . . . . . 169 ASN N . 27996 1 244 . 1 . 1 170 170 GLN H H 1 8.765 0.020 . 1 . . . . . 170 GLN H . 27996 1 245 . 1 . 1 170 170 GLN CA C 13 58.949 0.3 . 1 . . . . . 170 GLN CA . 27996 1 246 . 1 . 1 170 170 GLN CB C 13 27.23 0.3 . 1 . . . . . 170 GLN CB . 27996 1 247 . 1 . 1 170 170 GLN N N 15 109.012 0.2 . 1 . . . . . 170 GLN N . 27996 1 248 . 1 . 1 171 171 GLN H H 1 7.781 0.020 . 1 . . . . . 171 GLN H . 27996 1 249 . 1 . 1 171 171 GLN CA C 13 57.687 0.3 . 1 . . . . . 171 GLN CA . 27996 1 250 . 1 . 1 171 171 GLN CB C 13 34.169 0.3 . 1 . . . . . 171 GLN CB . 27996 1 251 . 1 . 1 171 171 GLN N N 15 115.073 0.2 . 1 . . . . . 171 GLN N . 27996 1 252 . 1 . 1 186 186 LEU H H 1 7.256 0.020 . 1 . . . . . 186 LEU H . 27996 1 253 . 1 . 1 186 186 LEU CA C 13 58.386 0.3 . 1 . . . . . 186 LEU CA . 27996 1 254 . 1 . 1 186 186 LEU CB C 13 39.917 0.3 . 1 . . . . . 186 LEU CB . 27996 1 255 . 1 . 1 186 186 LEU N N 15 117.897 0.2 . 1 . . . . . 186 LEU N . 27996 1 256 . 1 . 1 187 187 ASP H H 1 8.048 0.020 . 1 . . . . . 187 ASP H . 27996 1 257 . 1 . 1 187 187 ASP CA C 13 58.262 0.3 . 1 . . . . . 187 ASP CA . 27996 1 258 . 1 . 1 187 187 ASP CB C 13 40.421 0.3 . 1 . . . . . 187 ASP CB . 27996 1 259 . 1 . 1 187 187 ASP N N 15 119.701 0.2 . 1 . . . . . 187 ASP N . 27996 1 260 . 1 . 1 188 188 ASP H H 1 7.57 0.020 . 1 . . . . . 188 ASP H . 27996 1 261 . 1 . 1 188 188 ASP CA C 13 58.17 0.3 . 1 . . . . . 188 ASP CA . 27996 1 262 . 1 . 1 188 188 ASP CB C 13 41.43 0.3 . 1 . . . . . 188 ASP CB . 27996 1 263 . 1 . 1 188 188 ASP N N 15 118.472 0.2 . 1 . . . . . 188 ASP N . 27996 1 264 . 1 . 1 189 189 ILE H H 1 7.233 0.020 . 1 . . . . . 189 ILE H . 27996 1 265 . 1 . 1 189 189 ILE CA C 13 64.685 0.3 . 1 . . . . . 189 ILE CA . 27996 1 266 . 1 . 1 189 189 ILE CB C 13 38.719 0.3 . 1 . . . . . 189 ILE CB . 27996 1 267 . 1 . 1 189 189 ILE N N 15 116.338 0.2 . 1 . . . . . 189 ILE N . 27996 1 268 . 1 . 1 190 190 ARG H H 1 7.422 0.020 . 1 . . . . . 190 ARG H . 27996 1 269 . 1 . 1 190 190 ARG CA C 13 60.638 0.3 . 1 . . . . . 190 ARG CA . 27996 1 270 . 1 . 1 190 190 ARG CB C 13 29.251 0.3 . 1 . . . . . 190 ARG CB . 27996 1 271 . 1 . 1 190 190 ARG N N 15 119.13 0.2 . 1 . . . . . 190 ARG N . 27996 1 272 . 1 . 1 191 191 LYS H H 1 7.274 0.020 . 1 . . . . . 191 LYS H . 27996 1 273 . 1 . 1 191 191 LYS CA C 13 57.577 0.3 . 1 . . . . . 191 LYS CA . 27996 1 274 . 1 . 1 191 191 LYS CB C 13 32.694 0.3 . 1 . . . . . 191 LYS CB . 27996 1 275 . 1 . 1 191 191 LYS N N 15 113.294 0.2 . 1 . . . . . 191 LYS N . 27996 1 276 . 1 . 1 192 192 LEU H H 1 6.58 0.020 . 1 . . . . . 192 LEU H . 27996 1 277 . 1 . 1 192 192 LEU CA C 13 55.879 0.3 . 1 . . . . . 192 LEU CA . 27996 1 278 . 1 . 1 192 192 LEU CB C 13 41.618 0.3 . 1 . . . . . 192 LEU CB . 27996 1 279 . 1 . 1 192 192 LEU N N 15 117.802 0.2 . 1 . . . . . 192 LEU N . 27996 1 280 . 1 . 1 194 194 ARG H H 1 8.298 0.020 . 1 . . . . . 194 ARG H . 27996 1 281 . 1 . 1 194 194 ARG CA C 13 55.793 0.3 . 1 . . . . . 194 ARG CA . 27996 1 282 . 1 . 1 194 194 ARG CB C 13 30.98 0.3 . 1 . . . . . 194 ARG CB . 27996 1 283 . 1 . 1 194 194 ARG N N 15 123.775 0.2 . 1 . . . . . 194 ARG N . 27996 1 284 . 1 . 1 195 195 PHE H H 1 7.222 0.020 . 1 . . . . . 195 PHE H . 27996 1 285 . 1 . 1 195 195 PHE CA C 13 56.42 0.3 . 1 . . . . . 195 PHE CA . 27996 1 286 . 1 . 1 195 195 PHE CB C 13 36.529 0.3 . 1 . . . . . 195 PHE CB . 27996 1 287 . 1 . 1 195 195 PHE N N 15 120.313 0.2 . 1 . . . . . 195 PHE N . 27996 1 288 . 1 . 1 200 200 ALA H H 1 8.242 0.020 . 1 . . . . . 200 ALA H . 27996 1 289 . 1 . 1 200 200 ALA CA C 13 53.386 0.3 . 1 . . . . . 200 ALA CA . 27996 1 290 . 1 . 1 200 200 ALA CB C 13 18.224 0.3 . 1 . . . . . 200 ALA CB . 27996 1 291 . 1 . 1 200 200 ALA N N 15 120.095 0.2 . 1 . . . . . 200 ALA N . 27996 1 292 . 1 . 1 201 201 TYR H H 1 6.89 0.020 . 1 . . . . . 201 TYR H . 27996 1 293 . 1 . 1 201 201 TYR CA C 13 55.962 0.3 . 1 . . . . . 201 TYR CA . 27996 1 294 . 1 . 1 201 201 TYR CB C 13 40.156 0.3 . 1 . . . . . 201 TYR CB . 27996 1 295 . 1 . 1 201 201 TYR N N 15 111.201 0.2 . 1 . . . . . 201 TYR N . 27996 1 296 . 1 . 1 202 202 GLY H H 1 8.938 0.020 . 1 . . . . . 202 GLY H . 27996 1 297 . 1 . 1 202 202 GLY CA C 13 44.921 0.3 . 1 . . . . . 202 GLY CA . 27996 1 298 . 1 . 1 202 202 GLY N N 15 111.445 0.2 . 1 . . . . . 202 GLY N . 27996 1 299 . 1 . 1 216 216 PHE H H 1 6.992 0.020 . 1 . . . . . 216 PHE H . 27996 1 300 . 1 . 1 216 216 PHE N N 15 119.166 0.2 . 1 . . . . . 216 PHE N . 27996 1 301 . 1 . 1 217 217 GLY H H 1 9.56 0.020 . 1 . . . . . 217 GLY H . 27996 1 302 . 1 . 1 217 217 GLY CA C 13 45.833 0.3 . 1 . . . . . 217 GLY CA . 27996 1 303 . 1 . 1 217 217 GLY N N 15 123.459 0.2 . 1 . . . . . 217 GLY N . 27996 1 304 . 1 . 1 218 218 ASN H H 1 8.505 0.020 . 1 . . . . . 218 ASN H . 27996 1 305 . 1 . 1 218 218 ASN CA C 13 52.461 0.3 . 1 . . . . . 218 ASN CA . 27996 1 306 . 1 . 1 218 218 ASN CB C 13 39.773 0.3 . 1 . . . . . 218 ASN CB . 27996 1 307 . 1 . 1 218 218 ASN N N 15 121.127 0.2 . 1 . . . . . 218 ASN N . 27996 1 308 . 1 . 1 219 219 GLU H H 1 9.27 0.020 . 1 . . . . . 219 GLU H . 27996 1 309 . 1 . 1 219 219 GLU CA C 13 60.176 0.3 . 1 . . . . . 219 GLU CA . 27996 1 310 . 1 . 1 219 219 GLU CB C 13 29.611 0.3 . 1 . . . . . 219 GLU CB . 27996 1 311 . 1 . 1 219 219 GLU N N 15 121.583 0.2 . 1 . . . . . 219 GLU N . 27996 1 312 . 1 . 1 220 220 LYS H H 1 8.864 0.020 . 1 . . . . . 220 LYS H . 27996 1 313 . 1 . 1 220 220 LYS CA C 13 56.925 0.3 . 1 . . . . . 220 LYS CA . 27996 1 314 . 1 . 1 220 220 LYS CB C 13 32.71 0.3 . 1 . . . . . 220 LYS CB . 27996 1 315 . 1 . 1 220 220 LYS N N 15 120.623 0.2 . 1 . . . . . 220 LYS N . 27996 1 316 . 1 . 1 221 221 THR H H 1 7.387 0.020 . 1 . . . . . 221 THR H . 27996 1 317 . 1 . 1 221 221 THR CA C 13 60.628 0.3 . 1 . . . . . 221 THR CA . 27996 1 318 . 1 . 1 221 221 THR CB C 13 70.227 0.3 . 1 . . . . . 221 THR CB . 27996 1 319 . 1 . 1 221 221 THR N N 15 110.909 0.2 . 1 . . . . . 221 THR N . 27996 1 320 . 1 . 1 247 247 GLN H H 1 7.926 0.020 . 1 . . . . . 247 GLN H . 27996 1 321 . 1 . 1 247 247 GLN CA C 13 59.031 0.3 . 1 . . . . . 247 GLN CA . 27996 1 322 . 1 . 1 247 247 GLN CB C 13 27.952 0.3 . 1 . . . . . 247 GLN CB . 27996 1 323 . 1 . 1 247 247 GLN N N 15 117.602 0.2 . 1 . . . . . 247 GLN N . 27996 1 324 . 1 . 1 248 248 HIS H H 1 8.261 0.020 . 1 . . . . . 248 HIS H . 27996 1 325 . 1 . 1 248 248 HIS CA C 13 58.263 0.3 . 1 . . . . . 248 HIS CA . 27996 1 326 . 1 . 1 248 248 HIS CB C 13 29.426 0.3 . 1 . . . . . 248 HIS CB . 27996 1 327 . 1 . 1 248 248 HIS N N 15 117.064 0.2 . 1 . . . . . 248 HIS N . 27996 1 328 . 1 . 1 249 249 ASN H H 1 7.035 0.020 . 1 . . . . . 249 ASN H . 27996 1 329 . 1 . 1 249 249 ASN CA C 13 53.844 0.3 . 1 . . . . . 249 ASN CA . 27996 1 330 . 1 . 1 249 249 ASN CB C 13 40.577 0.3 . 1 . . . . . 249 ASN CB . 27996 1 331 . 1 . 1 249 249 ASN N N 15 111.633 0.2 . 1 . . . . . 249 ASN N . 27996 1 332 . 1 . 1 250 250 ASN H H 1 7.43 0.020 . 1 . . . . . 250 ASN H . 27996 1 333 . 1 . 1 250 250 ASN CA C 13 54.713 0.3 . 1 . . . . . 250 ASN CA . 27996 1 334 . 1 . 1 250 250 ASN CB C 13 37.106 0.3 . 1 . . . . . 250 ASN CB . 27996 1 335 . 1 . 1 250 250 ASN N N 15 117.705 0.2 . 1 . . . . . 250 ASN N . 27996 1 336 . 1 . 1 254 254 ILE H H 1 9.161 0.020 . 1 . . . . . 254 ILE H . 27996 1 337 . 1 . 1 254 254 ILE CA C 13 62.946 0.3 . 1 . . . . . 254 ILE CA . 27996 1 338 . 1 . 1 254 254 ILE N N 15 123.052 0.2 . 1 . . . . . 254 ILE N . 27996 1 339 . 1 . 1 269 269 ARG H H 1 8.005 0.020 . 1 . . . . . 269 ARG H . 27996 1 340 . 1 . 1 269 269 ARG CA C 13 57.83 0.3 . 1 . . . . . 269 ARG CA . 27996 1 341 . 1 . 1 269 269 ARG CB C 13 30.318 0.3 . 1 . . . . . 269 ARG CB . 27996 1 342 . 1 . 1 269 269 ARG N N 15 117.759 0.2 . 1 . . . . . 269 ARG N . 27996 1 343 . 1 . 1 270 270 LYS H H 1 8.688 0.020 . 1 . . . . . 270 LYS H . 27996 1 344 . 1 . 1 270 270 LYS CA C 13 57.369 0.3 . 1 . . . . . 270 LYS CA . 27996 1 345 . 1 . 1 270 270 LYS CB C 13 32.054 0.3 . 1 . . . . . 270 LYS CB . 27996 1 346 . 1 . 1 270 270 LYS N N 15 127.754 0.2 . 1 . . . . . 270 LYS N . 27996 1 347 . 1 . 1 271 271 SER H H 1 8.416 0.020 . 1 . . . . . 271 SER H . 27996 1 348 . 1 . 1 271 271 SER CA C 13 58.787 0.3 . 1 . . . . . 271 SER CA . 27996 1 349 . 1 . 1 271 271 SER N N 15 119.992 0.2 . 1 . . . . . 271 SER N . 27996 1 350 . 1 . 1 273 273 THR H H 1 7.188 0.020 . 1 . . . . . 273 THR H . 27996 1 351 . 1 . 1 273 273 THR CA C 13 62.078 0.3 . 1 . . . . . 273 THR CA . 27996 1 352 . 1 . 1 273 273 THR CB C 13 71.393 0.3 . 1 . . . . . 273 THR CB . 27996 1 353 . 1 . 1 273 273 THR N N 15 107.961 0.2 . 1 . . . . . 273 THR N . 27996 1 354 . 1 . 1 274 274 THR H H 1 7.103 0.020 . 1 . . . . . 274 THR H . 27996 1 355 . 1 . 1 274 274 THR CA C 13 57.632 0.3 . 1 . . . . . 274 THR CA . 27996 1 356 . 1 . 1 274 274 THR CB C 13 66.149 0.3 . 1 . . . . . 274 THR CB . 27996 1 357 . 1 . 1 274 274 THR N N 15 114.576 0.2 . 1 . . . . . 274 THR N . 27996 1 358 . 1 . 1 275 275 GLY H H 1 7.652 0.020 . 1 . . . . . 275 GLY H . 27996 1 359 . 1 . 1 275 275 GLY CA C 13 46.627 0.3 . 1 . . . . . 275 GLY CA . 27996 1 360 . 1 . 1 275 275 GLY N N 15 110.583 0.2 . 1 . . . . . 275 GLY N . 27996 1 361 . 1 . 1 276 276 PHE H H 1 8.167 0.020 . 1 . . . . . 276 PHE H . 27996 1 362 . 1 . 1 276 276 PHE CA C 13 56.781 0.3 . 1 . . . . . 276 PHE CA . 27996 1 363 . 1 . 1 276 276 PHE CB C 13 43.304 0.3 . 1 . . . . . 276 PHE CB . 27996 1 364 . 1 . 1 276 276 PHE N N 15 122.296 0.2 . 1 . . . . . 276 PHE N . 27996 1 365 . 1 . 1 278 278 SER H H 1 8.044 0.020 . 1 . . . . . 278 SER H . 27996 1 366 . 1 . 1 278 278 SER CA C 13 64.419 0.3 . 1 . . . . . 278 SER CA . 27996 1 367 . 1 . 1 278 278 SER CB C 13 69.097 0.3 . 1 . . . . . 278 SER CB . 27996 1 368 . 1 . 1 278 278 SER N N 15 110.991 0.2 . 1 . . . . . 278 SER N . 27996 1 369 . 1 . 1 301 301 TYR H H 1 8.751 0.020 . 1 . . . . . 301 TYR H . 27996 1 370 . 1 . 1 301 301 TYR CA C 13 55.217 0.3 . 1 . . . . . 301 TYR CA . 27996 1 371 . 1 . 1 301 301 TYR N N 15 128.591 0.2 . 1 . . . . . 301 TYR N . 27996 1 372 . 1 . 1 302 302 GLU H H 1 8.151 0.020 . 1 . . . . . 302 GLU H . 27996 1 373 . 1 . 1 302 302 GLU CA C 13 55.793 0.3 . 1 . . . . . 302 GLU CA . 27996 1 374 . 1 . 1 302 302 GLU CB C 13 31.989 0.3 . 1 . . . . . 302 GLU CB . 27996 1 375 . 1 . 1 302 302 GLU N N 15 124.923 0.2 . 1 . . . . . 302 GLU N . 27996 1 376 . 1 . 1 303 303 ASN H H 1 9.516 0.020 . 1 . . . . . 303 ASN H . 27996 1 377 . 1 . 1 303 303 ASN CA C 13 55.08 0.3 . 1 . . . . . 303 ASN CA . 27996 1 378 . 1 . 1 303 303 ASN CB C 13 37.373 0.3 . 1 . . . . . 303 ASN CB . 27996 1 379 . 1 . 1 303 303 ASN N N 15 124.401 0.2 . 1 . . . . . 303 ASN N . 27996 1 380 . 1 . 1 304 304 ASN H H 1 8.44 0.020 . 1 . . . . . 304 ASN H . 27996 1 381 . 1 . 1 304 304 ASN CA C 13 55.272 0.3 . 1 . . . . . 304 ASN CA . 27996 1 382 . 1 . 1 304 304 ASN N N 15 111.526 0.2 . 1 . . . . . 304 ASN N . 27996 1 383 . 1 . 1 305 305 VAL H H 1 7.647 0.020 . 1 . . . . . 305 VAL H . 27996 1 384 . 1 . 1 305 305 VAL CA C 13 62.274 0.3 . 1 . . . . . 305 VAL CA . 27996 1 385 . 1 . 1 305 305 VAL CB C 13 35.16 0.3 . 1 . . . . . 305 VAL CB . 27996 1 386 . 1 . 1 305 305 VAL N N 15 119.162 0.2 . 1 . . . . . 305 VAL N . 27996 1 387 . 1 . 1 306 306 MET H H 1 8.583 0.020 . 1 . . . . . 306 MET H . 27996 1 388 . 1 . 1 306 306 MET CA C 13 55.244 0.3 . 1 . . . . . 306 MET CA . 27996 1 389 . 1 . 1 306 306 MET N N 15 124.826 0.2 . 1 . . . . . 306 MET N . 27996 1 390 . 1 . 1 307 307 ASN H H 1 8.985 0.020 . 1 . . . . . 307 ASN H . 27996 1 391 . 1 . 1 307 307 ASN CA C 13 51.21 0.3 . 1 . . . . . 307 ASN CA . 27996 1 392 . 1 . 1 307 307 ASN CB C 13 40.321 0.3 . 1 . . . . . 307 ASN CB . 27996 1 393 . 1 . 1 307 307 ASN N N 15 124.616 0.2 . 1 . . . . . 307 ASN N . 27996 1 394 . 1 . 1 308 308 ILE H H 1 9.01 0.020 . 1 . . . . . 308 ILE H . 27996 1 395 . 1 . 1 308 308 ILE CA C 13 62.023 0.3 . 1 . . . . . 308 ILE CA . 27996 1 396 . 1 . 1 308 308 ILE CB C 13 37.886 0.3 . 1 . . . . . 308 ILE CB . 27996 1 397 . 1 . 1 308 308 ILE N N 15 129.739 0.2 . 1 . . . . . 308 ILE N . 27996 1 398 . 1 . 1 309 309 ARG H H 1 9.236 0.020 . 1 . . . . . 309 ARG H . 27996 1 399 . 1 . 1 309 309 ARG CA C 13 55.573 0.3 . 1 . . . . . 309 ARG CA . 27996 1 400 . 1 . 1 309 309 ARG CB C 13 34.745 0.3 . 1 . . . . . 309 ARG CB . 27996 1 401 . 1 . 1 309 309 ARG N N 15 126.967 0.2 . 1 . . . . . 309 ARG N . 27996 1 402 . 1 . 1 310 310 GLN H H 1 9.299 0.020 . 1 . . . . . 310 GLN H . 27996 1 403 . 1 . 1 310 310 GLN CA C 13 55.903 0.3 . 1 . . . . . 310 GLN CA . 27996 1 404 . 1 . 1 310 310 GLN CB C 13 33.784 0.3 . 1 . . . . . 310 GLN CB . 27996 1 405 . 1 . 1 310 310 GLN N N 15 131.835 0.2 . 1 . . . . . 310 GLN N . 27996 1 406 . 1 . 1 311 311 PHE H H 1 8.962 0.020 . 1 . . . . . 311 PHE H . 27996 1 407 . 1 . 1 311 311 PHE CA C 13 57.632 0.3 . 1 . . . . . 311 PHE CA . 27996 1 408 . 1 . 1 311 311 PHE CB C 13 41.218 0.3 . 1 . . . . . 311 PHE CB . 27996 1 409 . 1 . 1 311 311 PHE N N 15 117.179 0.2 . 1 . . . . . 311 PHE N . 27996 1 410 . 1 . 1 312 312 ASN H H 1 8.597 0.020 . 1 . . . . . 312 ASN H . 27996 1 411 . 1 . 1 312 312 ASN CA C 13 51.704 0.3 . 1 . . . . . 312 ASN CA . 27996 1 412 . 1 . 1 312 312 ASN N N 15 118.008 0.2 . 1 . . . . . 312 ASN N . 27996 1 413 . 1 . 1 313 313 CYS H H 1 8.196 0.020 . 1 . . . . . 313 CYS H . 27996 1 414 . 1 . 1 313 313 CYS CA C 13 57.577 0.3 . 1 . . . . . 313 CYS CA . 27996 1 415 . 1 . 1 313 313 CYS CB C 13 29.618 0.3 . 1 . . . . . 313 CYS CB . 27996 1 416 . 1 . 1 313 313 CYS N N 15 115.073 0.2 . 1 . . . . . 313 CYS N . 27996 1 417 . 1 . 1 314 314 SER H H 1 8.735 0.020 . 1 . . . . . 314 SER H . 27996 1 418 . 1 . 1 314 314 SER CA C 13 57.549 0.3 . 1 . . . . . 314 SER CA . 27996 1 419 . 1 . 1 314 314 SER CB C 13 63.971 0.3 . 1 . . . . . 314 SER CB . 27996 1 420 . 1 . 1 314 314 SER N N 15 118.795 0.2 . 1 . . . . . 314 SER N . 27996 1 421 . 1 . 1 326 326 ASP H H 1 8.118 0.020 . 1 . . . . . 326 ASP H . 27996 1 422 . 1 . 1 326 326 ASP CA C 13 54.868 0.3 . 1 . . . . . 326 ASP CA . 27996 1 423 . 1 . 1 326 326 ASP CB C 13 41.43 0.3 . 1 . . . . . 326 ASP CB . 27996 1 424 . 1 . 1 326 326 ASP N N 15 121.057 0.2 . 1 . . . . . 326 ASP N . 27996 1 425 . 1 . 1 327 327 ASP H H 1 7.816 0.020 . 1 . . . . . 327 ASP H . 27996 1 426 . 1 . 1 327 327 ASP CA C 13 56.215 0.3 . 1 . . . . . 327 ASP CA . 27996 1 427 . 1 . 1 327 327 ASP CB C 13 42.244 0.3 . 1 . . . . . 327 ASP CB . 27996 1 428 . 1 . 1 327 327 ASP N N 15 126.063 0.2 . 1 . . . . . 327 ASP N . 27996 1 stop_ save_