data_27495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27495 _Entry.Title ; Backbone 1H, 13C, 15N chemical shifts of deubiquitinase A phosphorylated at Ser177 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-29 _Entry.Accession_date 2018-05-29 _Entry.Last_release_date 2018-05-30 _Entry.Original_release_date 2018-05-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ashish Kabra . . . . 27495 2 Catherine Benson . . . . 27495 3 Ying Li . . . . 27495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 27495 '15N chemical shifts' 116 27495 '1H chemical shifts' 116 27495 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 3 . . 2022-04-04 2018-05-29 update author 'update Polymer_type' 27495 2 . . 2021-02-13 2018-05-29 update author 'update entry citation' 27495 1 . . 2020-02-28 2018-05-29 original author 'original release' 27495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27494 'deubiquitinase A' 27495 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27495 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30232733 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1 H, 13 C, and 15 N resonance assignments of deubiquitinase A in non-phosphorylated and phosphorylated forms ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 37 _Citation.Page_last 42 _Citation.Year 2019 _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 Ashish Kabra A. . . . 27495 1 2 Catherine Benson C. A. . . 27495 1 3 Ying Li Y. . . . 27495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27495 _Assembly.ID 1 _Assembly.Name 'phosphorylated DUBA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'phosphorylated DUBA' 1 $phosphorylated_DUBA A . yes native no no . . . 27495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phosphorylated_DUBA _Entity.Sf_category entity _Entity.Sf_framecode phosphorylated_DUBA _Entity.Entry_ID 27495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name phosphorylated_DUBA _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 ; GAGYNXEDEYEAAAARIEAM DPATVEQQEHWFEKALRDKK GFIIKQMKEDGACLFRAVAD QVYGDQDMHEVVRKHCMDYL MKNADYFSNYVTEDFTTYIN RKRKNNCHGNHIEMQAMAEM YNRPVEVYQYSTEPINTFHG IHQNEDEPIRVSYHRNIHYN SVVNPNKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 172 GLY . 27495 1 2 173 ALA . 27495 1 3 174 GLY . 27495 1 4 175 TYR . 27495 1 5 176 ASN . 27495 1 6 177 SEP . 27495 1 7 178 GLU . 27495 1 8 179 ASP . 27495 1 9 180 GLU . 27495 1 10 181 TYR . 27495 1 11 182 GLU . 27495 1 12 183 ALA . 27495 1 13 184 ALA . 27495 1 14 185 ALA . 27495 1 15 186 ALA . 27495 1 16 187 ARG . 27495 1 17 188 ILE . 27495 1 18 189 GLU . 27495 1 19 190 ALA . 27495 1 20 191 MET . 27495 1 21 192 ASP . 27495 1 22 193 PRO . 27495 1 23 194 ALA . 27495 1 24 195 THR . 27495 1 25 196 VAL . 27495 1 26 197 GLU . 27495 1 27 198 GLN . 27495 1 28 199 GLN . 27495 1 29 200 GLU . 27495 1 30 201 HIS . 27495 1 31 202 TRP . 27495 1 32 203 PHE . 27495 1 33 204 GLU . 27495 1 34 205 LYS . 27495 1 35 206 ALA . 27495 1 36 207 LEU . 27495 1 37 208 ARG . 27495 1 38 209 ASP . 27495 1 39 210 LYS . 27495 1 40 211 LYS . 27495 1 41 212 GLY . 27495 1 42 213 PHE . 27495 1 43 214 ILE . 27495 1 44 215 ILE . 27495 1 45 216 LYS . 27495 1 46 217 GLN . 27495 1 47 218 MET . 27495 1 48 219 LYS . 27495 1 49 220 GLU . 27495 1 50 221 ASP . 27495 1 51 222 GLY . 27495 1 52 223 ALA . 27495 1 53 224 CYS . 27495 1 54 225 LEU . 27495 1 55 226 PHE . 27495 1 56 227 ARG . 27495 1 57 228 ALA . 27495 1 58 229 VAL . 27495 1 59 230 ALA . 27495 1 60 231 ASP . 27495 1 61 232 GLN . 27495 1 62 233 VAL . 27495 1 63 234 TYR . 27495 1 64 235 GLY . 27495 1 65 236 ASP . 27495 1 66 237 GLN . 27495 1 67 238 ASP . 27495 1 68 239 MET . 27495 1 69 240 HIS . 27495 1 70 241 GLU . 27495 1 71 242 VAL . 27495 1 72 243 VAL . 27495 1 73 244 ARG . 27495 1 74 245 LYS . 27495 1 75 246 HIS . 27495 1 76 247 CYS . 27495 1 77 248 MET . 27495 1 78 249 ASP . 27495 1 79 250 TYR . 27495 1 80 251 LEU . 27495 1 81 252 MET . 27495 1 82 253 LYS . 27495 1 83 254 ASN . 27495 1 84 255 ALA . 27495 1 85 256 ASP . 27495 1 86 257 TYR . 27495 1 87 258 PHE . 27495 1 88 259 SER . 27495 1 89 260 ASN . 27495 1 90 261 TYR . 27495 1 91 262 VAL . 27495 1 92 263 THR . 27495 1 93 264 GLU . 27495 1 94 265 ASP . 27495 1 95 266 PHE . 27495 1 96 267 THR . 27495 1 97 268 THR . 27495 1 98 269 TYR . 27495 1 99 270 ILE . 27495 1 100 271 ASN . 27495 1 101 272 ARG . 27495 1 102 273 LYS . 27495 1 103 274 ARG . 27495 1 104 275 LYS . 27495 1 105 276 ASN . 27495 1 106 277 ASN . 27495 1 107 278 CYS . 27495 1 108 279 HIS . 27495 1 109 280 GLY . 27495 1 110 281 ASN . 27495 1 111 282 HIS . 27495 1 112 283 ILE . 27495 1 113 284 GLU . 27495 1 114 285 MET . 27495 1 115 286 GLN . 27495 1 116 287 ALA . 27495 1 117 288 MET . 27495 1 118 289 ALA . 27495 1 119 290 GLU . 27495 1 120 291 MET . 27495 1 121 292 TYR . 27495 1 122 293 ASN . 27495 1 123 294 ARG . 27495 1 124 295 PRO . 27495 1 125 296 VAL . 27495 1 126 297 GLU . 27495 1 127 298 VAL . 27495 1 128 299 TYR . 27495 1 129 300 GLN . 27495 1 130 301 TYR . 27495 1 131 302 SER . 27495 1 132 303 THR . 27495 1 133 309 GLU . 27495 1 134 310 PRO . 27495 1 135 311 ILE . 27495 1 136 312 ASN . 27495 1 137 313 THR . 27495 1 138 314 PHE . 27495 1 139 315 HIS . 27495 1 140 316 GLY . 27495 1 141 317 ILE . 27495 1 142 318 HIS . 27495 1 143 319 GLN . 27495 1 144 320 ASN . 27495 1 145 321 GLU . 27495 1 146 322 ASP . 27495 1 147 323 GLU . 27495 1 148 324 PRO . 27495 1 149 325 ILE . 27495 1 150 326 ARG . 27495 1 151 327 VAL . 27495 1 152 328 SER . 27495 1 153 329 TYR . 27495 1 154 330 HIS . 27495 1 155 331 ARG . 27495 1 156 332 ASN . 27495 1 157 333 ILE . 27495 1 158 334 HIS . 27495 1 159 335 TYR . 27495 1 160 336 ASN . 27495 1 161 337 SER . 27495 1 162 338 VAL . 27495 1 163 339 VAL . 27495 1 164 340 ASN . 27495 1 165 341 PRO . 27495 1 166 342 ASN . 27495 1 167 343 LYS . 27495 1 168 344 ALA . 27495 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 27495 1 . ALA 2 2 27495 1 . GLY 3 3 27495 1 . TYR 4 4 27495 1 . ASN 5 5 27495 1 . SEP 6 6 27495 1 . GLU 7 7 27495 1 . ASP 8 8 27495 1 . GLU 9 9 27495 1 . TYR 10 10 27495 1 . GLU 11 11 27495 1 . ALA 12 12 27495 1 . ALA 13 13 27495 1 . ALA 14 14 27495 1 . ALA 15 15 27495 1 . ARG 16 16 27495 1 . ILE 17 17 27495 1 . GLU 18 18 27495 1 . ALA 19 19 27495 1 . MET 20 20 27495 1 . ASP 21 21 27495 1 . PRO 22 22 27495 1 . ALA 23 23 27495 1 . THR 24 24 27495 1 . VAL 25 25 27495 1 . GLU 26 26 27495 1 . GLN 27 27 27495 1 . GLN 28 28 27495 1 . GLU 29 29 27495 1 . HIS 30 30 27495 1 . TRP 31 31 27495 1 . PHE 32 32 27495 1 . GLU 33 33 27495 1 . LYS 34 34 27495 1 . ALA 35 35 27495 1 . LEU 36 36 27495 1 . ARG 37 37 27495 1 . ASP 38 38 27495 1 . LYS 39 39 27495 1 . LYS 40 40 27495 1 . GLY 41 41 27495 1 . PHE 42 42 27495 1 . ILE 43 43 27495 1 . ILE 44 44 27495 1 . LYS 45 45 27495 1 . GLN 46 46 27495 1 . MET 47 47 27495 1 . LYS 48 48 27495 1 . GLU 49 49 27495 1 . ASP 50 50 27495 1 . GLY 51 51 27495 1 . ALA 52 52 27495 1 . CYS 53 53 27495 1 . LEU 54 54 27495 1 . PHE 55 55 27495 1 . ARG 56 56 27495 1 . ALA 57 57 27495 1 . VAL 58 58 27495 1 . ALA 59 59 27495 1 . ASP 60 60 27495 1 . GLN 61 61 27495 1 . VAL 62 62 27495 1 . TYR 63 63 27495 1 . GLY 64 64 27495 1 . ASP 65 65 27495 1 . GLN 66 66 27495 1 . ASP 67 67 27495 1 . MET 68 68 27495 1 . HIS 69 69 27495 1 . GLU 70 70 27495 1 . VAL 71 71 27495 1 . VAL 72 72 27495 1 . ARG 73 73 27495 1 . LYS 74 74 27495 1 . HIS 75 75 27495 1 . CYS 76 76 27495 1 . MET 77 77 27495 1 . ASP 78 78 27495 1 . TYR 79 79 27495 1 . LEU 80 80 27495 1 . MET 81 81 27495 1 . LYS 82 82 27495 1 . ASN 83 83 27495 1 . ALA 84 84 27495 1 . ASP 85 85 27495 1 . TYR 86 86 27495 1 . PHE 87 87 27495 1 . SER 88 88 27495 1 . ASN 89 89 27495 1 . TYR 90 90 27495 1 . VAL 91 91 27495 1 . THR 92 92 27495 1 . GLU 93 93 27495 1 . ASP 94 94 27495 1 . PHE 95 95 27495 1 . THR 96 96 27495 1 . THR 97 97 27495 1 . TYR 98 98 27495 1 . ILE 99 99 27495 1 . ASN 100 100 27495 1 . ARG 101 101 27495 1 . LYS 102 102 27495 1 . ARG 103 103 27495 1 . LYS 104 104 27495 1 . ASN 105 105 27495 1 . ASN 106 106 27495 1 . CYS 107 107 27495 1 . HIS 108 108 27495 1 . GLY 109 109 27495 1 . ASN 110 110 27495 1 . HIS 111 111 27495 1 . ILE 112 112 27495 1 . GLU 113 113 27495 1 . MET 114 114 27495 1 . GLN 115 115 27495 1 . ALA 116 116 27495 1 . MET 117 117 27495 1 . ALA 118 118 27495 1 . GLU 119 119 27495 1 . MET 120 120 27495 1 . TYR 121 121 27495 1 . ASN 122 122 27495 1 . ARG 123 123 27495 1 . PRO 124 124 27495 1 . VAL 125 125 27495 1 . GLU 126 126 27495 1 . VAL 127 127 27495 1 . TYR 128 128 27495 1 . GLN 129 129 27495 1 . TYR 130 130 27495 1 . SER 131 131 27495 1 . THR 132 132 27495 1 . GLU 133 133 27495 1 . PRO 134 134 27495 1 . ILE 135 135 27495 1 . ASN 136 136 27495 1 . THR 137 137 27495 1 . PHE 138 138 27495 1 . HIS 139 139 27495 1 . GLY 140 140 27495 1 . ILE 141 141 27495 1 . HIS 142 142 27495 1 . GLN 143 143 27495 1 . ASN 144 144 27495 1 . GLU 145 145 27495 1 . ASP 146 146 27495 1 . GLU 147 147 27495 1 . PRO 148 148 27495 1 . ILE 149 149 27495 1 . ARG 150 150 27495 1 . VAL 151 151 27495 1 . SER 152 152 27495 1 . TYR 153 153 27495 1 . HIS 154 154 27495 1 . ARG 155 155 27495 1 . ASN 156 156 27495 1 . ILE 157 157 27495 1 . HIS 158 158 27495 1 . TYR 159 159 27495 1 . ASN 160 160 27495 1 . SER 161 161 27495 1 . VAL 162 162 27495 1 . VAL 163 163 27495 1 . ASN 164 164 27495 1 . PRO 165 165 27495 1 . ASN 166 166 27495 1 . LYS 167 167 27495 1 . ALA 168 168 27495 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27495 _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 $phosphorylated_DUBA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27495 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 27495 _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 $phosphorylated_DUBA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28-MHL . . . 27495 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 27495 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 27495 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 27495 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27495 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 27495 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 27495 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 27495 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 27495 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27495 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 27495 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 27495 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 27495 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 27495 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 27495 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 27495 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 27495 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 27495 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 27495 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 27495 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 27495 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 27495 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 27495 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 27495 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 27495 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 27495 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 27495 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 27495 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 27495 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 27495 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 27495 SEP 2 . SING N H no N 2 . 27495 SEP 3 . SING N H2 no N 3 . 27495 SEP 4 . SING CA CB no N 4 . 27495 SEP 5 . SING CA C no N 5 . 27495 SEP 6 . SING CA HA no N 6 . 27495 SEP 7 . SING CB OG no N 7 . 27495 SEP 8 . SING CB HB2 no N 8 . 27495 SEP 9 . SING CB HB3 no N 9 . 27495 SEP 10 . SING OG P no N 10 . 27495 SEP 11 . DOUB C O no N 11 . 27495 SEP 12 . SING C OXT no N 12 . 27495 SEP 13 . SING OXT HXT no N 13 . 27495 SEP 14 . DOUB P O1P no N 14 . 27495 SEP 15 . SING P O2P no N 15 . 27495 SEP 16 . SING P O3P no N 16 . 27495 SEP 17 . SING O2P HOP2 no N 17 . 27495 SEP 18 . SING O3P HOP3 no N 18 . 27495 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27495 _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 'phosphorylated DUBA' '[U-13C; U-15N; U-2H]' . . 1 $phosphorylated_DUBA . . 0.5 . . mM . . . . 27495 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27495 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27495 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 27495 _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' 0.15 . M 27495 1 pH 7.0 . pH 27495 1 pressure 1 . atm 27495 1 temperature 296 . K 27495 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27495 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27495 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27495 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27495 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27495 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27495 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 27495 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27495 _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 Varian VNMRS . 700 . . . 27495 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 27495 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27495 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27495 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27495 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27495 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27495 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 27495 _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 . . . . . 27495 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27495 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27495 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 27495 _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 '3D HNCO' . . . 27495 1 2 '3D HNCA' . . . 27495 1 3 '3D HNCACB' . . . 27495 1 4 '2D 1H-15N HSQC' . . . 27495 1 5 '3D HN(CA)CO' . . . 27495 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 2 2 ALA C C 13 177.884 0.00 . 1 . . . . . 173 ALA C . 27495 1 2 . 1 . 1 2 2 ALA CA C 13 52.192 0.01 . 1 . . . . . 173 ALA CA . 27495 1 3 . 1 . 1 2 2 ALA CB C 13 18.214 0.00 . 1 . . . . . 173 ALA CB . 27495 1 4 . 1 . 1 3 3 GLY H H 1 8.533 0.00 . 1 . . . . . 174 GLY H . 27495 1 5 . 1 . 1 3 3 GLY C C 13 173.643 0.00 . 1 . . . . . 174 GLY C . 27495 1 6 . 1 . 1 3 3 GLY CA C 13 44.608 0.01 . 1 . . . . . 174 GLY CA . 27495 1 7 . 1 . 1 3 3 GLY N N 15 108.885 0.02 . 1 . . . . . 174 GLY N . 27495 1 8 . 1 . 1 4 4 TYR H H 1 7.951 0.00 . 1 . . . . . 175 TYR H . 27495 1 9 . 1 . 1 4 4 TYR C C 13 174.986 0.04 . 1 . . . . . 175 TYR C . 27495 1 10 . 1 . 1 4 4 TYR CA C 13 57.199 0.03 . 1 . . . . . 175 TYR CA . 27495 1 11 . 1 . 1 4 4 TYR CB C 13 38.413 0.00 . 1 . . . . . 175 TYR CB . 27495 1 12 . 1 . 1 4 4 TYR N N 15 119.593 0.02 . 1 . . . . . 175 TYR N . 27495 1 13 . 1 . 1 5 5 ASN H H 1 8.538 0.01 . 1 . . . . . 176 ASN H . 27495 1 14 . 1 . 1 5 5 ASN C C 13 175.255 0.04 . 1 . . . . . 176 ASN C . 27495 1 15 . 1 . 1 5 5 ASN CA C 13 52.355 0.04 . 1 . . . . . 176 ASN CA . 27495 1 16 . 1 . 1 5 5 ASN CB C 13 38.925 0.06 . 1 . . . . . 176 ASN CB . 27495 1 17 . 1 . 1 5 5 ASN N N 15 121.728 0.01 . 1 . . . . . 176 ASN N . 27495 1 18 . 1 . 1 6 6 SEP H H 1 9.162 0.00 . 1 . . . . . 177 SER H . 27495 1 19 . 1 . 1 6 6 SEP C C 13 174.970 0.03 . 1 . . . . . 177 SER C . 27495 1 20 . 1 . 1 6 6 SEP CA C 13 58.822 0.02 . 1 . . . . . 177 SER CA . 27495 1 21 . 1 . 1 6 6 SEP CB C 13 65.034 0.00 . 1 . . . . . 177 SER CB . 27495 1 22 . 1 . 1 6 6 SEP N N 15 119.790 0.02 . 1 . . . . . 177 SER N . 27495 1 23 . 1 . 1 7 7 GLU H H 1 8.469 0.00 . 1 . . . . . 178 GLU H . 27495 1 24 . 1 . 1 7 7 GLU C C 13 176.756 0.02 . 1 . . . . . 178 GLU C . 27495 1 25 . 1 . 1 7 7 GLU CA C 13 56.763 0.01 . 1 . . . . . 178 GLU CA . 27495 1 26 . 1 . 1 7 7 GLU CB C 13 29.140 0.00 . 1 . . . . . 178 GLU CB . 27495 1 27 . 1 . 1 7 7 GLU N N 15 121.610 0.01 . 1 . . . . . 178 GLU N . 27495 1 28 . 1 . 1 8 8 ASP H H 1 8.274 0.00 . 1 . . . . . 179 ASP H . 27495 1 29 . 1 . 1 8 8 ASP C C 13 177.028 0.10 . 1 . . . . . 179 ASP C . 27495 1 30 . 1 . 1 8 8 ASP CA C 13 54.555 0.03 . 1 . . . . . 179 ASP CA . 27495 1 31 . 1 . 1 8 8 ASP CB C 13 40.699 0.00 . 1 . . . . . 179 ASP CB . 27495 1 32 . 1 . 1 8 8 ASP N N 15 122.009 0.00 . 1 . . . . . 179 ASP N . 27495 1 33 . 1 . 1 9 9 GLU H H 1 8.267 0.00 . 1 . . . . . 180 GLU H . 27495 1 34 . 1 . 1 9 9 GLU C C 13 176.958 0.10 . 1 . . . . . 180 GLU C . 27495 1 35 . 1 . 1 9 9 GLU CA C 13 56.795 0.05 . 1 . . . . . 180 GLU CA . 27495 1 36 . 1 . 1 9 9 GLU CB C 13 29.191 0.00 . 1 . . . . . 180 GLU CB . 27495 1 37 . 1 . 1 9 9 GLU N N 15 121.032 0.02 . 1 . . . . . 180 GLU N . 27495 1 38 . 1 . 1 10 10 TYR H H 1 8.143 0.00 . 1 . . . . . 181 TYR H . 27495 1 39 . 1 . 1 10 10 TYR C C 13 176.885 0.05 . 1 . . . . . 181 TYR C . 27495 1 40 . 1 . 1 10 10 TYR CA C 13 58.776 0.13 . 1 . . . . . 181 TYR CA . 27495 1 41 . 1 . 1 10 10 TYR CB C 13 37.675 0.03 . 1 . . . . . 181 TYR CB . 27495 1 42 . 1 . 1 10 10 TYR N N 15 120.871 0.04 . 1 . . . . . 181 TYR N . 27495 1 43 . 1 . 1 11 11 GLU H H 1 8.308 0.00 . 1 . . . . . 182 GLU H . 27495 1 44 . 1 . 1 11 11 GLU C C 13 177.370 0.08 . 1 . . . . . 182 GLU C . 27495 1 45 . 1 . 1 11 11 GLU CA C 13 57.010 0.11 . 1 . . . . . 182 GLU CA . 27495 1 46 . 1 . 1 11 11 GLU CB C 13 29.130 0.01 . 1 . . . . . 182 GLU CB . 27495 1 47 . 1 . 1 11 11 GLU N N 15 121.785 0.03 . 1 . . . . . 182 GLU N . 27495 1 48 . 1 . 1 12 12 ALA H H 1 8.172 0.00 . 1 . . . . . 183 ALA H . 27495 1 49 . 1 . 1 12 12 ALA C C 13 178.808 0.06 . 1 . . . . . 183 ALA C . 27495 1 50 . 1 . 1 12 12 ALA CA C 13 53.034 0.03 . 1 . . . . . 183 ALA CA . 27495 1 51 . 1 . 1 12 12 ALA CB C 13 17.936 0.01 . 1 . . . . . 183 ALA CB . 27495 1 52 . 1 . 1 12 12 ALA N N 15 123.898 0.07 . 1 . . . . . 183 ALA N . 27495 1 53 . 1 . 1 13 13 ALA H H 1 8.082 0.00 . 1 . . . . . 184 ALA H . 27495 1 54 . 1 . 1 13 13 ALA C C 13 178.779 0.05 . 1 . . . . . 184 ALA C . 27495 1 55 . 1 . 1 13 13 ALA CA C 13 53.050 0.00 . 1 . . . . . 184 ALA CA . 27495 1 56 . 1 . 1 13 13 ALA CB C 13 17.940 0.01 . 1 . . . . . 184 ALA CB . 27495 1 57 . 1 . 1 13 13 ALA N N 15 121.802 0.01 . 1 . . . . . 184 ALA N . 27495 1 58 . 1 . 1 14 14 ALA H H 1 8.026 0.00 . 1 . . . . . 185 ALA H . 27495 1 59 . 1 . 1 14 14 ALA C C 13 178.477 0.05 . 1 . . . . . 185 ALA C . 27495 1 60 . 1 . 1 14 14 ALA CA C 13 52.766 0.12 . 1 . . . . . 185 ALA CA . 27495 1 61 . 1 . 1 14 14 ALA CB C 13 17.983 0.03 . 1 . . . . . 185 ALA CB . 27495 1 62 . 1 . 1 14 14 ALA N N 15 121.595 0.01 . 1 . . . . . 185 ALA N . 27495 1 63 . 1 . 1 15 15 ALA H H 1 7.932 0.00 . 1 . . . . . 186 ALA H . 27495 1 64 . 1 . 1 15 15 ALA C C 13 178.573 0.04 . 1 . . . . . 186 ALA C . 27495 1 65 . 1 . 1 15 15 ALA CA C 13 52.611 0.04 . 1 . . . . . 186 ALA CA . 27495 1 66 . 1 . 1 15 15 ALA CB C 13 18.019 0.00 . 1 . . . . . 186 ALA CB . 27495 1 67 . 1 . 1 15 15 ALA N N 15 121.187 0.02 . 1 . . . . . 186 ALA N . 27495 1 68 . 1 . 1 16 16 ARG H H 1 7.931 0.00 . 1 . . . . . 187 ARG H . 27495 1 69 . 1 . 1 16 16 ARG C C 13 177.089 0.00 . 1 . . . . . 187 ARG C . 27495 1 70 . 1 . 1 16 16 ARG CA C 13 56.367 0.02 . 1 . . . . . 187 ARG CA . 27495 1 71 . 1 . 1 16 16 ARG CB C 13 29.657 0.02 . 1 . . . . . 187 ARG CB . 27495 1 72 . 1 . 1 16 16 ARG N N 15 119.264 0.02 . 1 . . . . . 187 ARG N . 27495 1 73 . 1 . 1 17 17 ILE H H 1 7.948 0.00 . 1 . . . . . 188 ILE H . 27495 1 74 . 1 . 1 17 17 ILE C C 13 177.041 0.01 . 1 . . . . . 188 ILE C . 27495 1 75 . 1 . 1 17 17 ILE CA C 13 61.378 0.08 . 1 . . . . . 188 ILE CA . 27495 1 76 . 1 . 1 17 17 ILE CB C 13 37.472 0.00 . 1 . . . . . 188 ILE CB . 27495 1 77 . 1 . 1 17 17 ILE N N 15 121.394 0.01 . 1 . . . . . 188 ILE N . 27495 1 78 . 1 . 1 18 18 GLU H H 1 8.361 0.01 . 1 . . . . . 189 GLU H . 27495 1 79 . 1 . 1 18 18 GLU C C 13 176.321 0.02 . 1 . . . . . 189 GLU C . 27495 1 80 . 1 . 1 18 18 GLU CA C 13 56.527 0.03 . 1 . . . . . 189 GLU CA . 27495 1 81 . 1 . 1 18 18 GLU CB C 13 29.145 0.00 . 1 . . . . . 189 GLU CB . 27495 1 82 . 1 . 1 18 18 GLU N N 15 123.455 0.06 . 1 . . . . . 189 GLU N . 27495 1 83 . 1 . 1 19 19 ALA H H 1 7.995 0.00 . 1 . . . . . 190 ALA H . 27495 1 84 . 1 . 1 19 19 ALA C C 13 177.551 0.02 . 1 . . . . . 190 ALA C . 27495 1 85 . 1 . 1 19 19 ALA CA C 13 51.856 0.01 . 1 . . . . . 190 ALA CA . 27495 1 86 . 1 . 1 19 19 ALA CB C 13 18.531 0.02 . 1 . . . . . 190 ALA CB . 27495 1 87 . 1 . 1 19 19 ALA N N 15 123.118 0.03 . 1 . . . . . 190 ALA N . 27495 1 88 . 1 . 1 20 20 MET H H 1 8.008 0.00 . 1 . . . . . 191 MET H . 27495 1 89 . 1 . 1 20 20 MET C C 13 175.585 0.00 . 1 . . . . . 191 MET C . 27495 1 90 . 1 . 1 20 20 MET CA C 13 54.981 0.02 . 1 . . . . . 191 MET CA . 27495 1 91 . 1 . 1 20 20 MET CB C 13 32.838 0.02 . 1 . . . . . 191 MET CB . 27495 1 92 . 1 . 1 20 20 MET N N 15 119.228 0.02 . 1 . . . . . 191 MET N . 27495 1 93 . 1 . 1 21 21 ASP H H 1 8.370 0.01 . 1 . . . . . 192 ASP H . 27495 1 94 . 1 . 1 21 21 ASP C C 13 174.899 0.00 . 1 . . . . . 192 ASP C . 27495 1 95 . 1 . 1 21 21 ASP CA C 13 51.864 0.00 . 1 . . . . . 192 ASP CA . 27495 1 96 . 1 . 1 21 21 ASP CB C 13 40.570 0.00 . 1 . . . . . 192 ASP CB . 27495 1 97 . 1 . 1 21 21 ASP N N 15 123.373 0.02 . 1 . . . . . 192 ASP N . 27495 1 98 . 1 . 1 22 22 PRO C C 13 178.327 0.04 . 1 . . . . . 193 PRO C . 27495 1 99 . 1 . 1 22 22 PRO CA C 13 64.435 0.00 . 1 . . . . . 193 PRO CA . 27495 1 100 . 1 . 1 23 23 ALA H H 1 8.429 0.00 . 1 . . . . . 194 ALA H . 27495 1 101 . 1 . 1 23 23 ALA C C 13 179.954 0.06 . 1 . . . . . 194 ALA C . 27495 1 102 . 1 . 1 23 23 ALA CA C 13 53.789 0.04 . 1 . . . . . 194 ALA CA . 27495 1 103 . 1 . 1 23 23 ALA CB C 13 17.852 0.01 . 1 . . . . . 194 ALA CB . 27495 1 104 . 1 . 1 23 23 ALA N N 15 120.955 0.03 . 1 . . . . . 194 ALA N . 27495 1 105 . 1 . 1 24 24 THR H H 1 7.897 0.01 . 1 . . . . . 195 THR H . 27495 1 106 . 1 . 1 24 24 THR C C 13 176.308 0.06 . 1 . . . . . 195 THR C . 27495 1 107 . 1 . 1 24 24 THR CA C 13 63.931 0.02 . 1 . . . . . 195 THR CA . 27495 1 108 . 1 . 1 24 24 THR CB C 13 68.447 0.00 . 1 . . . . . 195 THR CB . 27495 1 109 . 1 . 1 24 24 THR N N 15 114.636 0.09 . 1 . . . . . 195 THR N . 27495 1 110 . 1 . 1 25 25 VAL H H 1 7.978 0.02 . 1 . . . . . 196 VAL H . 27495 1 111 . 1 . 1 25 25 VAL C C 13 177.891 0.06 . 1 . . . . . 196 VAL C . 27495 1 112 . 1 . 1 25 25 VAL CA C 13 65.394 0.06 . 1 . . . . . 196 VAL CA . 27495 1 113 . 1 . 1 25 25 VAL CB C 13 30.778 0.33 . 1 . . . . . 196 VAL CB . 27495 1 114 . 1 . 1 25 25 VAL N N 15 122.242 0.03 . 1 . . . . . 196 VAL N . 27495 1 115 . 1 . 1 26 26 GLU H H 1 8.184 0.02 . 1 . . . . . 197 GLU H . 27495 1 116 . 1 . 1 26 26 GLU C C 13 178.908 0.01 . 1 . . . . . 197 GLU C . 27495 1 117 . 1 . 1 26 26 GLU CA C 13 59.022 0.03 . 1 . . . . . 197 GLU CA . 27495 1 118 . 1 . 1 26 26 GLU CB C 13 28.578 0.00 . 1 . . . . . 197 GLU CB . 27495 1 119 . 1 . 1 26 26 GLU N N 15 119.349 0.08 . 1 . . . . . 197 GLU N . 27495 1 120 . 1 . 1 27 27 GLN H H 1 7.908 0.00 . 1 . . . . . 198 GLN H . 27495 1 121 . 1 . 1 27 27 GLN C C 13 178.702 0.01 . 1 . . . . . 198 GLN C . 27495 1 122 . 1 . 1 27 27 GLN CA C 13 58.320 0.00 . 1 . . . . . 198 GLN CA . 27495 1 123 . 1 . 1 27 27 GLN CB C 13 27.727 0.02 . 1 . . . . . 198 GLN CB . 27495 1 124 . 1 . 1 27 27 GLN N N 15 118.294 0.01 . 1 . . . . . 198 GLN N . 27495 1 125 . 1 . 1 28 28 GLN H H 1 8.168 0.01 . 1 . . . . . 199 GLN H . 27495 1 126 . 1 . 1 28 28 GLN C C 13 179.113 0.04 . 1 . . . . . 199 GLN C . 27495 1 127 . 1 . 1 28 28 GLN CA C 13 58.580 0.03 . 1 . . . . . 199 GLN CA . 27495 1 128 . 1 . 1 28 28 GLN CB C 13 27.808 0.07 . 1 . . . . . 199 GLN CB . 27495 1 129 . 1 . 1 28 28 GLN N N 15 120.052 0.06 . 1 . . . . . 199 GLN N . 27495 1 130 . 1 . 1 29 29 GLU H H 1 8.538 0.00 . 1 . . . . . 200 GLU H . 27495 1 131 . 1 . 1 29 29 GLU C C 13 179.945 0.01 . 1 . . . . . 200 GLU C . 27495 1 132 . 1 . 1 29 29 GLU CA C 13 58.510 0.09 . 1 . . . . . 200 GLU CA . 27495 1 133 . 1 . 1 29 29 GLU CB C 13 27.873 0.00 . 1 . . . . . 200 GLU CB . 27495 1 134 . 1 . 1 29 29 GLU N N 15 118.482 0.02 . 1 . . . . . 200 GLU N . 27495 1 135 . 1 . 1 30 30 HIS H H 1 8.208 0.01 . 1 . . . . . 201 HIS H . 27495 1 136 . 1 . 1 30 30 HIS C C 13 178.176 0.04 . 1 . . . . . 201 HIS C . 27495 1 137 . 1 . 1 30 30 HIS CA C 13 58.455 0.04 . 1 . . . . . 201 HIS CA . 27495 1 138 . 1 . 1 30 30 HIS CB C 13 29.099 0.00 . 1 . . . . . 201 HIS CB . 27495 1 139 . 1 . 1 30 30 HIS N N 15 118.743 0.03 . 1 . . . . . 201 HIS N . 27495 1 140 . 1 . 1 31 31 TRP H H 1 8.685 0.00 . 1 . . . . . 202 TRP H . 27495 1 141 . 1 . 1 31 31 TRP C C 13 178.113 0.01 . 1 . . . . . 202 TRP C . 27495 1 142 . 1 . 1 31 31 TRP CA C 13 60.623 0.00 . 1 . . . . . 202 TRP CA . 27495 1 143 . 1 . 1 31 31 TRP CB C 13 28.414 0.00 . 1 . . . . . 202 TRP CB . 27495 1 144 . 1 . 1 31 31 TRP N N 15 120.380 0.02 . 1 . . . . . 202 TRP N . 27495 1 145 . 1 . 1 32 32 PHE H H 1 8.511 0.00 . 1 . . . . . 203 PHE H . 27495 1 146 . 1 . 1 32 32 PHE C C 13 175.798 0.01 . 1 . . . . . 203 PHE C . 27495 1 147 . 1 . 1 32 32 PHE CA C 13 58.018 0.03 . 1 . . . . . 203 PHE CA . 27495 1 148 . 1 . 1 32 32 PHE CB C 13 38.792 0.00 . 1 . . . . . 203 PHE CB . 27495 1 149 . 1 . 1 32 32 PHE N N 15 119.451 0.06 . 1 . . . . . 203 PHE N . 27495 1 150 . 1 . 1 33 33 GLU H H 1 8.044 0.00 . 1 . . . . . 204 GLU H . 27495 1 151 . 1 . 1 33 33 GLU C C 13 179.560 0.01 . 1 . . . . . 204 GLU C . 27495 1 152 . 1 . 1 33 33 GLU CA C 13 59.404 0.04 . 1 . . . . . 204 GLU CA . 27495 1 153 . 1 . 1 33 33 GLU CB C 13 28.872 0.00 . 1 . . . . . 204 GLU CB . 27495 1 154 . 1 . 1 33 33 GLU N N 15 117.363 0.01 . 1 . . . . . 204 GLU N . 27495 1 155 . 1 . 1 34 34 LYS H H 1 7.631 0.00 . 1 . . . . . 205 LYS H . 27495 1 156 . 1 . 1 34 34 LYS C C 13 177.248 0.00 . 1 . . . . . 205 LYS C . 27495 1 157 . 1 . 1 34 34 LYS CA C 13 58.929 0.00 . 1 . . . . . 205 LYS CA . 27495 1 158 . 1 . 1 34 34 LYS N N 15 119.524 0.00 . 1 . . . . . 205 LYS N . 27495 1 159 . 1 . 1 35 35 ALA H H 1 8.316 0.00 . 1 . . . . . 206 ALA H . 27495 1 160 . 1 . 1 35 35 ALA C C 13 180.482 0.01 . 1 . . . . . 206 ALA C . 27495 1 161 . 1 . 1 35 35 ALA CA C 13 54.393 0.03 . 1 . . . . . 206 ALA CA . 27495 1 162 . 1 . 1 35 35 ALA CB C 13 16.799 0.15 . 1 . . . . . 206 ALA CB . 27495 1 163 . 1 . 1 35 35 ALA N N 15 121.989 0.02 . 1 . . . . . 206 ALA N . 27495 1 164 . 1 . 1 36 36 LEU H H 1 8.331 0.00 . 1 . . . . . 207 LEU H . 27495 1 165 . 1 . 1 36 36 LEU C C 13 179.712 0.02 . 1 . . . . . 207 LEU C . 27495 1 166 . 1 . 1 36 36 LEU CA C 13 57.225 0.08 . 1 . . . . . 207 LEU CA . 27495 1 167 . 1 . 1 36 36 LEU CB C 13 40.773 0.00 . 1 . . . . . 207 LEU CB . 27495 1 168 . 1 . 1 36 36 LEU N N 15 117.371 0.02 . 1 . . . . . 207 LEU N . 27495 1 169 . 1 . 1 37 37 ARG H H 1 7.427 0.00 . 1 . . . . . 208 ARG H . 27495 1 170 . 1 . 1 37 37 ARG C C 13 179.309 0.05 . 1 . . . . . 208 ARG C . 27495 1 171 . 1 . 1 37 37 ARG CA C 13 58.896 0.04 . 1 . . . . . 208 ARG CA . 27495 1 172 . 1 . 1 37 37 ARG CB C 13 28.978 0.00 . 1 . . . . . 208 ARG CB . 27495 1 173 . 1 . 1 37 37 ARG N N 15 120.456 0.03 . 1 . . . . . 208 ARG N . 27495 1 174 . 1 . 1 38 38 ASP H H 1 8.770 0.00 . 1 . . . . . 209 ASP H . 27495 1 175 . 1 . 1 38 38 ASP C C 13 178.145 0.02 . 1 . . . . . 209 ASP C . 27495 1 176 . 1 . 1 38 38 ASP CA C 13 56.779 0.02 . 1 . . . . . 209 ASP CA . 27495 1 177 . 1 . 1 38 38 ASP CB C 13 40.082 0.20 . 1 . . . . . 209 ASP CB . 27495 1 178 . 1 . 1 38 38 ASP N N 15 119.761 0.03 . 1 . . . . . 209 ASP N . 27495 1 179 . 1 . 1 39 39 LYS H H 1 8.407 0.00 . 1 . . . . . 210 LYS H . 27495 1 180 . 1 . 1 39 39 LYS C C 13 178.043 0.01 . 1 . . . . . 210 LYS C . 27495 1 181 . 1 . 1 39 39 LYS CA C 13 57.011 0.02 . 1 . . . . . 210 LYS CA . 27495 1 182 . 1 . 1 39 39 LYS CB C 13 32.342 0.00 . 1 . . . . . 210 LYS CB . 27495 1 183 . 1 . 1 39 39 LYS N N 15 114.772 0.03 . 1 . . . . . 210 LYS N . 27495 1 184 . 1 . 1 40 40 LYS H H 1 7.302 0.00 . 1 . . . . . 211 LYS H . 27495 1 185 . 1 . 1 40 40 LYS C C 13 176.228 0.00 . 1 . . . . . 211 LYS C . 27495 1 186 . 1 . 1 40 40 LYS CA C 13 53.328 0.12 . 1 . . . . . 211 LYS CA . 27495 1 187 . 1 . 1 40 40 LYS CB C 13 32.346 0.00 . 1 . . . . . 211 LYS CB . 27495 1 188 . 1 . 1 40 40 LYS N N 15 112.914 0.02 . 1 . . . . . 211 LYS N . 27495 1 189 . 1 . 1 41 41 GLY H H 1 7.687 0.00 . 1 . . . . . 212 GLY H . 27495 1 190 . 1 . 1 41 41 GLY C C 13 173.865 0.03 . 1 . . . . . 212 GLY C . 27495 1 191 . 1 . 1 41 41 GLY CA C 13 45.105 0.02 . 1 . . . . . 212 GLY CA . 27495 1 192 . 1 . 1 41 41 GLY N N 15 108.139 0.02 . 1 . . . . . 212 GLY N . 27495 1 193 . 1 . 1 42 42 PHE H H 1 6.277 0.00 . 1 . . . . . 213 PHE H . 27495 1 194 . 1 . 1 42 42 PHE C C 13 174.994 0.03 . 1 . . . . . 213 PHE C . 27495 1 195 . 1 . 1 42 42 PHE CA C 13 52.472 0.02 . 1 . . . . . 213 PHE CA . 27495 1 196 . 1 . 1 42 42 PHE CB C 13 38.710 0.03 . 1 . . . . . 213 PHE CB . 27495 1 197 . 1 . 1 42 42 PHE N N 15 116.145 0.03 . 1 . . . . . 213 PHE N . 27495 1 198 . 1 . 1 43 43 ILE H H 1 8.793 0.00 . 1 . . . . . 214 ILE H . 27495 1 199 . 1 . 1 43 43 ILE C C 13 174.206 0.01 . 1 . . . . . 214 ILE C . 27495 1 200 . 1 . 1 43 43 ILE CA C 13 58.217 0.06 . 1 . . . . . 214 ILE CA . 27495 1 201 . 1 . 1 43 43 ILE CB C 13 40.591 0.04 . 1 . . . . . 214 ILE CB . 27495 1 202 . 1 . 1 43 43 ILE N N 15 115.437 0.03 . 1 . . . . . 214 ILE N . 27495 1 203 . 1 . 1 44 44 ILE H H 1 8.432 0.00 . 1 . . . . . 215 ILE H . 27495 1 204 . 1 . 1 44 44 ILE C C 13 175.668 0.00 . 1 . . . . . 215 ILE C . 27495 1 205 . 1 . 1 44 44 ILE CA C 13 59.770 0.04 . 1 . . . . . 215 ILE CA . 27495 1 206 . 1 . 1 44 44 ILE CB C 13 36.955 0.01 . 1 . . . . . 215 ILE CB . 27495 1 207 . 1 . 1 44 44 ILE N N 15 122.642 0.02 . 1 . . . . . 215 ILE N . 27495 1 208 . 1 . 1 45 45 LYS H H 1 9.643 0.00 . 1 . . . . . 216 LYS H . 27495 1 209 . 1 . 1 45 45 LYS C C 13 175.698 0.01 . 1 . . . . . 216 LYS C . 27495 1 210 . 1 . 1 45 45 LYS CA C 13 54.560 0.02 . 1 . . . . . 216 LYS CA . 27495 1 211 . 1 . 1 45 45 LYS CB C 13 33.418 0.02 . 1 . . . . . 216 LYS CB . 27495 1 212 . 1 . 1 45 45 LYS N N 15 132.131 0.03 . 1 . . . . . 216 LYS N . 27495 1 213 . 1 . 1 46 46 GLN H H 1 8.604 0.00 . 1 . . . . . 217 GLN H . 27495 1 214 . 1 . 1 46 46 GLN C C 13 176.498 0.00 . 1 . . . . . 217 GLN C . 27495 1 215 . 1 . 1 46 46 GLN CA C 13 55.634 0.14 . 1 . . . . . 217 GLN CA . 27495 1 216 . 1 . 1 46 46 GLN CB C 13 27.143 0.00 . 1 . . . . . 217 GLN CB . 27495 1 217 . 1 . 1 46 46 GLN N N 15 125.557 0.03 . 1 . . . . . 217 GLN N . 27495 1 218 . 1 . 1 47 47 MET H H 1 9.164 0.00 . 1 . . . . . 218 MET H . 27495 1 219 . 1 . 1 47 47 MET C C 13 176.511 0.02 . 1 . . . . . 218 MET C . 27495 1 220 . 1 . 1 47 47 MET CA C 13 51.980 0.06 . 1 . . . . . 218 MET CA . 27495 1 221 . 1 . 1 47 47 MET CB C 13 36.765 0.00 . 1 . . . . . 218 MET CB . 27495 1 222 . 1 . 1 47 47 MET N N 15 126.558 0.02 . 1 . . . . . 218 MET N . 27495 1 223 . 1 . 1 48 48 LYS H H 1 8.513 0.00 . 1 . . . . . 219 LYS H . 27495 1 224 . 1 . 1 48 48 LYS C C 13 176.424 0.02 . 1 . . . . . 219 LYS C . 27495 1 225 . 1 . 1 48 48 LYS CA C 13 57.556 0.03 . 1 . . . . . 219 LYS CA . 27495 1 226 . 1 . 1 48 48 LYS CB C 13 31.151 0.02 . 1 . . . . . 219 LYS CB . 27495 1 227 . 1 . 1 48 48 LYS N N 15 122.985 0.03 . 1 . . . . . 219 LYS N . 27495 1 228 . 1 . 1 49 49 GLU H H 1 8.223 0.00 . 1 . . . . . 220 GLU H . 27495 1 229 . 1 . 1 49 49 GLU C C 13 175.786 0.01 . 1 . . . . . 220 GLU C . 27495 1 230 . 1 . 1 49 49 GLU CA C 13 54.547 0.03 . 1 . . . . . 220 GLU CA . 27495 1 231 . 1 . 1 49 49 GLU CB C 13 26.853 0.00 . 1 . . . . . 220 GLU CB . 27495 1 232 . 1 . 1 49 49 GLU N N 15 123.148 0.02 . 1 . . . . . 220 GLU N . 27495 1 233 . 1 . 1 50 50 ASP H H 1 8.177 0.00 . 1 . . . . . 221 ASP H . 27495 1 234 . 1 . 1 50 50 ASP C C 13 178.091 0.00 . 1 . . . . . 221 ASP C . 27495 1 235 . 1 . 1 50 50 ASP CA C 13 51.445 0.01 . 1 . . . . . 221 ASP CA . 27495 1 236 . 1 . 1 50 50 ASP CB C 13 41.625 0.00 . 1 . . . . . 221 ASP CB . 27495 1 237 . 1 . 1 50 50 ASP N N 15 123.552 0.02 . 1 . . . . . 221 ASP N . 27495 1 238 . 1 . 1 54 54 LEU C C 13 176.739 0.00 . 1 . . . . . 225 LEU C . 27495 1 239 . 1 . 1 54 54 LEU CA C 13 58.225 0.06 . 1 . . . . . 225 LEU CA . 27495 1 240 . 1 . 1 55 55 PHE H H 1 6.594 0.00 . 1 . . . . . 226 PHE H . 27495 1 241 . 1 . 1 55 55 PHE C C 13 178.066 0.05 . 1 . . . . . 226 PHE C . 27495 1 242 . 1 . 1 55 55 PHE CA C 13 60.465 0.05 . 1 . . . . . 226 PHE CA . 27495 1 243 . 1 . 1 55 55 PHE CB C 13 38.013 0.00 . 1 . . . . . 226 PHE CB . 27495 1 244 . 1 . 1 55 55 PHE N N 15 116.008 0.02 . 1 . . . . . 226 PHE N . 27495 1 245 . 1 . 1 56 56 ARG H H 1 8.854 0.00 . 1 . . . . . 227 ARG H . 27495 1 246 . 1 . 1 56 56 ARG C C 13 176.699 0.04 . 1 . . . . . 227 ARG C . 27495 1 247 . 1 . 1 56 56 ARG CA C 13 59.315 0.13 . 1 . . . . . 227 ARG CA . 27495 1 248 . 1 . 1 56 56 ARG CB C 13 29.425 0.00 . 1 . . . . . 227 ARG CB . 27495 1 249 . 1 . 1 56 56 ARG N N 15 120.768 0.02 . 1 . . . . . 227 ARG N . 27495 1 250 . 1 . 1 57 57 ALA H H 1 8.145 0.01 . 1 . . . . . 228 ALA H . 27495 1 251 . 1 . 1 57 57 ALA C C 13 179.422 0.03 . 1 . . . . . 228 ALA C . 27495 1 252 . 1 . 1 57 57 ALA CA C 13 54.774 0.05 . 1 . . . . . 228 ALA CA . 27495 1 253 . 1 . 1 57 57 ALA CB C 13 17.639 0.00 . 1 . . . . . 228 ALA CB . 27495 1 254 . 1 . 1 57 57 ALA N N 15 121.411 0.05 . 1 . . . . . 228 ALA N . 27495 1 255 . 1 . 1 58 58 VAL H H 1 8.042 0.00 . 1 . . . . . 229 VAL H . 27495 1 256 . 1 . 1 58 58 VAL C C 13 177.694 0.00 . 1 . . . . . 229 VAL C . 27495 1 257 . 1 . 1 58 58 VAL CA C 13 66.953 0.04 . 1 . . . . . 229 VAL CA . 27495 1 258 . 1 . 1 58 58 VAL CB C 13 30.674 0.01 . 1 . . . . . 229 VAL CB . 27495 1 259 . 1 . 1 58 58 VAL N N 15 115.720 0.04 . 1 . . . . . 229 VAL N . 27495 1 260 . 1 . 1 59 59 ALA H H 1 8.833 0.00 . 1 . . . . . 230 ALA H . 27495 1 261 . 1 . 1 59 59 ALA C C 13 180.668 0.00 . 1 . . . . . 230 ALA C . 27495 1 262 . 1 . 1 59 59 ALA CA C 13 55.512 0.04 . 1 . . . . . 230 ALA CA . 27495 1 263 . 1 . 1 59 59 ALA CB C 13 17.979 0.00 . 1 . . . . . 230 ALA CB . 27495 1 264 . 1 . 1 59 59 ALA N N 15 122.480 0.05 . 1 . . . . . 230 ALA N . 27495 1 265 . 1 . 1 60 60 ASP H H 1 8.951 0.00 . 1 . . . . . 231 ASP H . 27495 1 266 . 1 . 1 60 60 ASP C C 13 177.540 0.01 . 1 . . . . . 231 ASP C . 27495 1 267 . 1 . 1 60 60 ASP CA C 13 58.550 0.04 . 1 . . . . . 231 ASP CA . 27495 1 268 . 1 . 1 60 60 ASP CB C 13 43.191 0.00 . 1 . . . . . 231 ASP CB . 27495 1 269 . 1 . 1 60 60 ASP N N 15 119.793 0.03 . 1 . . . . . 231 ASP N . 27495 1 270 . 1 . 1 61 61 GLN H H 1 7.644 0.00 . 1 . . . . . 232 GLN H . 27495 1 271 . 1 . 1 61 61 GLN C C 13 177.721 0.05 . 1 . . . . . 232 GLN C . 27495 1 272 . 1 . 1 61 61 GLN CA C 13 57.919 0.00 . 1 . . . . . 232 GLN CA . 27495 1 273 . 1 . 1 61 61 GLN CB C 13 29.644 0.00 . 1 . . . . . 232 GLN CB . 27495 1 274 . 1 . 1 61 61 GLN N N 15 116.605 0.04 . 1 . . . . . 232 GLN N . 27495 1 275 . 1 . 1 62 62 VAL H H 1 8.806 0.01 . 1 . . . . . 233 VAL H . 27495 1 276 . 1 . 1 62 62 VAL C C 13 176.746 0.02 . 1 . . . . . 233 VAL C . 27495 1 277 . 1 . 1 62 62 VAL CA C 13 64.497 0.08 . 1 . . . . . 233 VAL CA . 27495 1 278 . 1 . 1 62 62 VAL CB C 13 32.168 0.05 . 1 . . . . . 233 VAL CB . 27495 1 279 . 1 . 1 62 62 VAL N N 15 118.074 0.04 . 1 . . . . . 233 VAL N . 27495 1 280 . 1 . 1 63 63 TYR H H 1 8.279 0.01 . 1 . . . . . 234 TYR H . 27495 1 281 . 1 . 1 63 63 TYR C C 13 176.497 0.00 . 1 . . . . . 234 TYR C . 27495 1 282 . 1 . 1 63 63 TYR CA C 13 57.673 0.10 . 1 . . . . . 234 TYR CA . 27495 1 283 . 1 . 1 63 63 TYR CB C 13 39.882 0.00 . 1 . . . . . 234 TYR CB . 27495 1 284 . 1 . 1 63 63 TYR N N 15 115.329 0.08 . 1 . . . . . 234 TYR N . 27495 1 285 . 1 . 1 64 64 GLY H H 1 7.395 0.00 . 1 . . . . . 235 GLY H . 27495 1 286 . 1 . 1 64 64 GLY C C 13 173.922 0.02 . 1 . . . . . 235 GLY C . 27495 1 287 . 1 . 1 64 64 GLY CA C 13 45.640 0.01 . 1 . . . . . 235 GLY CA . 27495 1 288 . 1 . 1 64 64 GLY N N 15 109.072 0.02 . 1 . . . . . 235 GLY N . 27495 1 289 . 1 . 1 65 65 ASP H H 1 6.704 0.00 . 1 . . . . . 236 ASP H . 27495 1 290 . 1 . 1 65 65 ASP C C 13 176.077 0.02 . 1 . . . . . 236 ASP C . 27495 1 291 . 1 . 1 65 65 ASP CA C 13 52.860 0.01 . 1 . . . . . 236 ASP CA . 27495 1 292 . 1 . 1 65 65 ASP CB C 13 42.276 0.05 . 1 . . . . . 236 ASP CB . 27495 1 293 . 1 . 1 65 65 ASP N N 15 116.368 0.02 . 1 . . . . . 236 ASP N . 27495 1 294 . 1 . 1 66 66 GLN H H 1 9.829 0.00 . 1 . . . . . 237 GLN H . 27495 1 295 . 1 . 1 66 66 GLN C C 13 176.239 0.03 . 1 . . . . . 237 GLN C . 27495 1 296 . 1 . 1 66 66 GLN CA C 13 57.517 0.11 . 1 . . . . . 237 GLN CA . 27495 1 297 . 1 . 1 66 66 GLN CB C 13 30.020 0.13 . 1 . . . . . 237 GLN CB . 27495 1 298 . 1 . 1 66 66 GLN N N 15 126.230 0.01 . 1 . . . . . 237 GLN N . 27495 1 299 . 1 . 1 67 67 ASP H H 1 8.818 0.01 . 1 . . . . . 238 ASP H . 27495 1 300 . 1 . 1 67 67 ASP C C 13 177.761 0.00 . 1 . . . . . 238 ASP C . 27495 1 301 . 1 . 1 67 67 ASP CA C 13 56.202 0.05 . 1 . . . . . 238 ASP CA . 27495 1 302 . 1 . 1 67 67 ASP CB C 13 38.668 0.16 . 1 . . . . . 238 ASP CB . 27495 1 303 . 1 . 1 67 67 ASP N N 15 120.103 0.02 . 1 . . . . . 238 ASP N . 27495 1 304 . 1 . 1 68 68 MET H H 1 7.771 0.00 . 1 . . . . . 239 MET H . 27495 1 305 . 1 . 1 68 68 MET C C 13 176.553 0.02 . 1 . . . . . 239 MET C . 27495 1 306 . 1 . 1 68 68 MET CA C 13 54.931 0.15 . 1 . . . . . 239 MET CA . 27495 1 307 . 1 . 1 68 68 MET CB C 13 30.272 0.00 . 1 . . . . . 239 MET CB . 27495 1 308 . 1 . 1 68 68 MET N N 15 118.421 0.03 . 1 . . . . . 239 MET N . 27495 1 309 . 1 . 1 69 69 HIS H H 1 7.679 0.00 . 1 . . . . . 240 HIS H . 27495 1 310 . 1 . 1 69 69 HIS CA C 13 59.578 0.02 . 1 . . . . . 240 HIS CA . 27495 1 311 . 1 . 1 69 69 HIS CB C 13 30.149 0.00 . 1 . . . . . 240 HIS CB . 27495 1 312 . 1 . 1 69 69 HIS N N 15 119.373 0.02 . 1 . . . . . 240 HIS N . 27495 1 313 . 1 . 1 70 70 GLU C C 13 179.569 0.01 . 1 . . . . . 241 GLU C . 27495 1 314 . 1 . 1 70 70 GLU CA C 13 58.413 0.06 . 1 . . . . . 241 GLU CA . 27495 1 315 . 1 . 1 70 70 GLU CB C 13 28.333 0.00 . 1 . . . . . 241 GLU CB . 27495 1 316 . 1 . 1 71 71 VAL H H 1 7.223 0.00 . 1 . . . . . 242 VAL H . 27495 1 317 . 1 . 1 71 71 VAL C C 13 177.327 0.00 . 1 . . . . . 242 VAL C . 27495 1 318 . 1 . 1 71 71 VAL CA C 13 65.387 0.22 . 1 . . . . . 242 VAL CA . 27495 1 319 . 1 . 1 71 71 VAL CB C 13 30.756 0.00 . 1 . . . . . 242 VAL CB . 27495 1 320 . 1 . 1 71 71 VAL N N 15 121.241 0.02 . 1 . . . . . 242 VAL N . 27495 1 321 . 1 . 1 72 72 VAL H H 1 7.118 0.00 . 1 . . . . . 243 VAL H . 27495 1 322 . 1 . 1 72 72 VAL C C 13 178.065 0.00 . 1 . . . . . 243 VAL C . 27495 1 323 . 1 . 1 72 72 VAL CA C 13 65.706 0.12 . 1 . . . . . 243 VAL CA . 27495 1 324 . 1 . 1 72 72 VAL CB C 13 31.394 0.00 . 1 . . . . . 243 VAL CB . 27495 1 325 . 1 . 1 72 72 VAL N N 15 118.056 0.01 . 1 . . . . . 243 VAL N . 27495 1 326 . 1 . 1 73 73 ARG H H 1 8.343 0.00 . 1 . . . . . 244 ARG H . 27495 1 327 . 1 . 1 73 73 ARG C C 13 177.797 0.00 . 1 . . . . . 244 ARG C . 27495 1 328 . 1 . 1 73 73 ARG CA C 13 60.063 0.01 . 1 . . . . . 244 ARG CA . 27495 1 329 . 1 . 1 73 73 ARG CB C 13 29.632 0.00 . 1 . . . . . 244 ARG CB . 27495 1 330 . 1 . 1 73 73 ARG N N 15 118.545 0.03 . 1 . . . . . 244 ARG N . 27495 1 331 . 1 . 1 75 75 HIS C C 13 178.350 0.00 . 1 . . . . . 246 HIS C . 27495 1 332 . 1 . 1 75 75 HIS CA C 13 57.992 0.14 . 1 . . . . . 246 HIS CA . 27495 1 333 . 1 . 1 75 75 HIS CB C 13 29.648 0.00 . 1 . . . . . 246 HIS CB . 27495 1 334 . 1 . 1 76 76 CYS H H 1 8.906 0.00 . 1 . . . . . 247 CYS H . 27495 1 335 . 1 . 1 76 76 CYS C C 13 175.774 0.00 . 1 . . . . . 247 CYS C . 27495 1 336 . 1 . 1 76 76 CYS CA C 13 62.320 0.08 . 1 . . . . . 247 CYS CA . 27495 1 337 . 1 . 1 76 76 CYS CB C 13 26.770 0.00 . 1 . . . . . 247 CYS CB . 27495 1 338 . 1 . 1 76 76 CYS N N 15 121.294 0.03 . 1 . . . . . 247 CYS N . 27495 1 339 . 1 . 1 77 77 MET H H 1 8.638 0.00 . 1 . . . . . 248 MET H . 27495 1 340 . 1 . 1 77 77 MET C C 13 174.297 0.00 . 1 . . . . . 248 MET C . 27495 1 341 . 1 . 1 77 77 MET CA C 13 56.714 0.00 . 1 . . . . . 248 MET CA . 27495 1 342 . 1 . 1 77 77 MET CB C 13 29.808 0.00 . 1 . . . . . 248 MET CB . 27495 1 343 . 1 . 1 77 77 MET N N 15 117.519 0.03 . 1 . . . . . 248 MET N . 27495 1 344 . 1 . 1 78 78 ASP H H 1 8.364 0.01 . 1 . . . . . 249 ASP H . 27495 1 345 . 1 . 1 78 78 ASP CA C 13 54.600 0.21 . 1 . . . . . 249 ASP CA . 27495 1 346 . 1 . 1 78 78 ASP CB C 13 40.685 0.00 . 1 . . . . . 249 ASP CB . 27495 1 347 . 1 . 1 78 78 ASP N N 15 120.505 0.05 . 1 . . . . . 249 ASP N . 27495 1 348 . 1 . 1 82 82 LYS C C 13 177.319 0.00 . 1 . . . . . 253 LYS C . 27495 1 349 . 1 . 1 83 83 ASN H H 1 7.619 0.00 . 1 . . . . . 254 ASN H . 27495 1 350 . 1 . 1 83 83 ASN C C 13 175.366 0.02 . 1 . . . . . 254 ASN C . 27495 1 351 . 1 . 1 83 83 ASN CA C 13 52.544 0.02 . 1 . . . . . 254 ASN CA . 27495 1 352 . 1 . 1 83 83 ASN CB C 13 38.776 0.00 . 1 . . . . . 254 ASN CB . 27495 1 353 . 1 . 1 83 83 ASN N N 15 116.704 0.03 . 1 . . . . . 254 ASN N . 27495 1 354 . 1 . 1 84 84 ALA H H 1 7.261 0.01 . 1 . . . . . 255 ALA H . 27495 1 355 . 1 . 1 84 84 ALA C C 13 179.293 0.00 . 1 . . . . . 255 ALA C . 27495 1 356 . 1 . 1 84 84 ALA CA C 13 55.296 0.03 . 1 . . . . . 255 ALA CA . 27495 1 357 . 1 . 1 84 84 ALA N N 15 124.009 0.01 . 1 . . . . . 255 ALA N . 27495 1 358 . 1 . 1 85 85 ASP H H 1 8.701 0.00 . 1 . . . . . 256 ASP H . 27495 1 359 . 1 . 1 85 85 ASP C C 13 177.028 0.00 . 1 . . . . . 256 ASP C . 27495 1 360 . 1 . 1 85 85 ASP CA C 13 56.469 0.05 . 1 . . . . . 256 ASP CA . 27495 1 361 . 1 . 1 85 85 ASP CB C 13 39.276 0.00 . 1 . . . . . 256 ASP CB . 27495 1 362 . 1 . 1 85 85 ASP N N 15 117.167 0.05 . 1 . . . . . 256 ASP N . 27495 1 363 . 1 . 1 95 95 PHE C C 13 176.899 0.00 . 1 . . . . . 266 PHE C . 27495 1 364 . 1 . 1 95 95 PHE CA C 13 62.009 0.00 . 1 . . . . . 266 PHE CA . 27495 1 365 . 1 . 1 96 96 THR H H 1 8.345 0.00 . 1 . . . . . 267 THR H . 27495 1 366 . 1 . 1 96 96 THR CA C 13 65.928 0.00 . 1 . . . . . 267 THR CA . 27495 1 367 . 1 . 1 96 96 THR N N 15 113.259 0.05 . 1 . . . . . 267 THR N . 27495 1 368 . 1 . 1 114 114 MET C C 13 176.675 0.00 . 1 . . . . . 285 MET C . 27495 1 369 . 1 . 1 114 114 MET CA C 13 60.080 0.00 . 1 . . . . . 285 MET CA . 27495 1 370 . 1 . 1 115 115 GLN H H 1 7.588 0.00 . 1 . . . . . 286 GLN H . 27495 1 371 . 1 . 1 115 115 GLN C C 13 177.661 0.02 . 1 . . . . . 286 GLN C . 27495 1 372 . 1 . 1 115 115 GLN CA C 13 58.046 0.01 . 1 . . . . . 286 GLN CA . 27495 1 373 . 1 . 1 115 115 GLN CB C 13 27.528 0.00 . 1 . . . . . 286 GLN CB . 27495 1 374 . 1 . 1 115 115 GLN N N 15 118.177 0.04 . 1 . . . . . 286 GLN N . 27495 1 375 . 1 . 1 116 116 ALA H H 1 7.850 0.00 . 1 . . . . . 287 ALA H . 27495 1 376 . 1 . 1 116 116 ALA C C 13 178.786 0.04 . 1 . . . . . 287 ALA C . 27495 1 377 . 1 . 1 116 116 ALA CA C 13 54.789 0.05 . 1 . . . . . 287 ALA CA . 27495 1 378 . 1 . 1 116 116 ALA N N 15 119.205 0.02 . 1 . . . . . 287 ALA N . 27495 1 379 . 1 . 1 117 117 MET H H 1 8.264 0.00 . 1 . . . . . 288 MET H . 27495 1 380 . 1 . 1 117 117 MET C C 13 176.606 0.35 . 1 . . . . . 288 MET C . 27495 1 381 . 1 . 1 117 117 MET CA C 13 59.620 0.12 . 1 . . . . . 288 MET CA . 27495 1 382 . 1 . 1 117 117 MET N N 15 115.396 0.03 . 1 . . . . . 288 MET N . 27495 1 383 . 1 . 1 118 118 ALA H H 1 8.026 0.01 . 1 . . . . . 289 ALA H . 27495 1 384 . 1 . 1 118 118 ALA C C 13 181.190 0.02 . 1 . . . . . 289 ALA C . 27495 1 385 . 1 . 1 118 118 ALA CA C 13 54.047 0.00 . 1 . . . . . 289 ALA CA . 27495 1 386 . 1 . 1 118 118 ALA CB C 13 17.908 0.00 . 1 . . . . . 289 ALA CB . 27495 1 387 . 1 . 1 118 118 ALA N N 15 122.167 0.07 . 1 . . . . . 289 ALA N . 27495 1 388 . 1 . 1 119 119 GLU H H 1 7.516 0.01 . 1 . . . . . 290 GLU H . 27495 1 389 . 1 . 1 119 119 GLU C C 13 179.880 0.00 . 1 . . . . . 290 GLU C . 27495 1 390 . 1 . 1 119 119 GLU CA C 13 58.309 0.02 . 1 . . . . . 290 GLU CA . 27495 1 391 . 1 . 1 119 119 GLU CB C 13 27.605 0.00 . 1 . . . . . 290 GLU CB . 27495 1 392 . 1 . 1 119 119 GLU N N 15 114.090 0.02 . 1 . . . . . 290 GLU N . 27495 1 393 . 1 . 1 120 120 MET H H 1 8.597 0.00 . 1 . . . . . 291 MET H . 27495 1 394 . 1 . 1 120 120 MET C C 13 178.224 0.00 . 1 . . . . . 291 MET C . 27495 1 395 . 1 . 1 120 120 MET CA C 13 57.901 0.04 . 1 . . . . . 291 MET CA . 27495 1 396 . 1 . 1 120 120 MET CB C 13 31.523 0.02 . 1 . . . . . 291 MET CB . 27495 1 397 . 1 . 1 120 120 MET N N 15 119.959 0.09 . 1 . . . . . 291 MET N . 27495 1 398 . 1 . 1 121 121 TYR H H 1 8.112 0.01 . 1 . . . . . 292 TYR H . 27495 1 399 . 1 . 1 121 121 TYR C C 13 175.421 0.02 . 1 . . . . . 292 TYR C . 27495 1 400 . 1 . 1 121 121 TYR CA C 13 57.236 0.10 . 1 . . . . . 292 TYR CA . 27495 1 401 . 1 . 1 121 121 TYR CB C 13 36.913 0.16 . 1 . . . . . 292 TYR CB . 27495 1 402 . 1 . 1 121 121 TYR N N 15 114.941 0.04 . 1 . . . . . 292 TYR N . 27495 1 403 . 1 . 1 122 122 ASN H H 1 7.749 0.00 . 1 . . . . . 293 ASN H . 27495 1 404 . 1 . 1 122 122 ASN C C 13 173.608 0.02 . 1 . . . . . 293 ASN C . 27495 1 405 . 1 . 1 122 122 ASN CA C 13 53.709 0.10 . 1 . . . . . 293 ASN CA . 27495 1 406 . 1 . 1 122 122 ASN CB C 13 37.073 0.00 . 1 . . . . . 293 ASN CB . 27495 1 407 . 1 . 1 122 122 ASN N N 15 118.941 0.05 . 1 . . . . . 293 ASN N . 27495 1 408 . 1 . 1 123 123 ARG H H 1 8.056 0.00 . 1 . . . . . 294 ARG H . 27495 1 409 . 1 . 1 123 123 ARG C C 13 170.936 0.00 . 1 . . . . . 294 ARG C . 27495 1 410 . 1 . 1 123 123 ARG CA C 13 52.601 0.05 . 1 . . . . . 294 ARG CA . 27495 1 411 . 1 . 1 123 123 ARG CB C 13 33.025 0.00 . 1 . . . . . 294 ARG CB . 27495 1 412 . 1 . 1 123 123 ARG N N 15 116.781 0.09 . 1 . . . . . 294 ARG N . 27495 1 413 . 1 . 1 124 124 PRO C C 13 175.698 0.00 . 1 . . . . . 295 PRO C . 27495 1 414 . 1 . 1 124 124 PRO CA C 13 61.442 0.02 . 1 . . . . . 295 PRO CA . 27495 1 415 . 1 . 1 125 125 VAL H H 1 8.600 0.00 . 1 . . . . . 296 VAL H . 27495 1 416 . 1 . 1 125 125 VAL C C 13 175.843 0.06 . 1 . . . . . 296 VAL C . 27495 1 417 . 1 . 1 125 125 VAL CA C 13 60.018 0.04 . 1 . . . . . 296 VAL CA . 27495 1 418 . 1 . 1 125 125 VAL CB C 13 33.233 0.00 . 1 . . . . . 296 VAL CB . 27495 1 419 . 1 . 1 125 125 VAL N N 15 119.788 0.02 . 1 . . . . . 296 VAL N . 27495 1 420 . 1 . 1 126 126 GLU H H 1 9.375 0.01 . 1 . . . . . 297 GLU H . 27495 1 421 . 1 . 1 126 126 GLU C C 13 175.005 0.01 . 1 . . . . . 297 GLU C . 27495 1 422 . 1 . 1 126 126 GLU CA C 13 54.150 0.14 . 1 . . . . . 297 GLU CA . 27495 1 423 . 1 . 1 126 126 GLU CB C 13 33.736 0.00 . 1 . . . . . 297 GLU CB . 27495 1 424 . 1 . 1 126 126 GLU N N 15 125.740 0.02 . 1 . . . . . 297 GLU N . 27495 1 425 . 1 . 1 127 127 VAL H H 1 8.250 0.01 . 1 . . . . . 298 VAL H . 27495 1 426 . 1 . 1 127 127 VAL C C 13 174.980 0.04 . 1 . . . . . 298 VAL C . 27495 1 427 . 1 . 1 127 127 VAL CA C 13 60.325 0.05 . 1 . . . . . 298 VAL CA . 27495 1 428 . 1 . 1 127 127 VAL CB C 13 32.826 0.04 . 1 . . . . . 298 VAL CB . 27495 1 429 . 1 . 1 127 127 VAL N N 15 119.611 0.02 . 1 . . . . . 298 VAL N . 27495 1 430 . 1 . 1 128 128 TYR H H 1 9.607 0.00 . 1 . . . . . 299 TYR H . 27495 1 431 . 1 . 1 128 128 TYR C C 13 174.206 0.01 . 1 . . . . . 299 TYR C . 27495 1 432 . 1 . 1 128 128 TYR CA C 13 57.330 0.02 . 1 . . . . . 299 TYR CA . 27495 1 433 . 1 . 1 128 128 TYR CB C 13 38.758 0.00 . 1 . . . . . 299 TYR CB . 27495 1 434 . 1 . 1 128 128 TYR N N 15 127.189 0.02 . 1 . . . . . 299 TYR N . 27495 1 435 . 1 . 1 129 129 GLN H H 1 8.673 0.00 . 1 . . . . . 300 GLN H . 27495 1 436 . 1 . 1 129 129 GLN C C 13 172.755 0.01 . 1 . . . . . 300 GLN C . 27495 1 437 . 1 . 1 129 129 GLN CA C 13 53.953 0.01 . 1 . . . . . 300 GLN CA . 27495 1 438 . 1 . 1 129 129 GLN CB C 13 29.609 0.00 . 1 . . . . . 300 GLN CB . 27495 1 439 . 1 . 1 129 129 GLN N N 15 124.578 0.04 . 1 . . . . . 300 GLN N . 27495 1 440 . 1 . 1 130 130 TYR H H 1 7.469 0.00 . 1 . . . . . 301 TYR H . 27495 1 441 . 1 . 1 130 130 TYR C C 13 172.712 0.00 . 1 . . . . . 301 TYR C . 27495 1 442 . 1 . 1 130 130 TYR CA C 13 59.249 0.10 . 1 . . . . . 301 TYR CA . 27495 1 443 . 1 . 1 130 130 TYR N N 15 120.217 0.02 . 1 . . . . . 301 TYR N . 27495 1 444 . 1 . 1 131 131 SER H H 1 6.916 0.00 . 1 . . . . . 302 SER H . 27495 1 445 . 1 . 1 131 131 SER C C 13 173.012 0.02 . 1 . . . . . 302 SER C . 27495 1 446 . 1 . 1 131 131 SER CA C 13 55.751 0.04 . 1 . . . . . 302 SER CA . 27495 1 447 . 1 . 1 131 131 SER CB C 13 65.351 0.11 . 1 . . . . . 302 SER CB . 27495 1 448 . 1 . 1 131 131 SER N N 15 109.439 0.01 . 1 . . . . . 302 SER N . 27495 1 449 . 1 . 1 132 132 THR H H 1 8.725 0.00 . 1 . . . . . 303 THR H . 27495 1 450 . 1 . 1 132 132 THR C C 13 172.990 0.04 . 1 . . . . . 303 THR C . 27495 1 451 . 1 . 1 132 132 THR CA C 13 62.366 0.03 . 1 . . . . . 303 THR CA . 27495 1 452 . 1 . 1 132 132 THR CB C 13 67.714 0.00 . 1 . . . . . 303 THR CB . 27495 1 453 . 1 . 1 132 132 THR N N 15 109.751 0.07 . 1 . . . . . 303 THR N . 27495 1 454 . 1 . 1 133 133 GLU H H 1 7.550 0.00 . 1 . . . . . 309 GLU H . 27495 1 455 . 1 . 1 133 133 GLU C C 13 174.158 0.00 . 1 . . . . . 309 GLU C . 27495 1 456 . 1 . 1 133 133 GLU CA C 13 52.032 0.02 . 1 . . . . . 309 GLU CA . 27495 1 457 . 1 . 1 133 133 GLU CB C 13 29.380 0.00 . 1 . . . . . 309 GLU CB . 27495 1 458 . 1 . 1 133 133 GLU N N 15 117.672 0.03 . 1 . . . . . 309 GLU N . 27495 1 459 . 1 . 1 134 134 PRO C C 13 177.441 0.01 . 1 . . . . . 310 PRO C . 27495 1 460 . 1 . 1 134 134 PRO CA C 13 62.520 0.03 . 1 . . . . . 310 PRO CA . 27495 1 461 . 1 . 1 134 134 PRO CB C 13 30.720 0.00 . 1 . . . . . 310 PRO CB . 27495 1 462 . 1 . 1 135 135 ILE H H 1 8.853 0.01 . 1 . . . . . 311 ILE H . 27495 1 463 . 1 . 1 135 135 ILE C C 13 175.753 0.03 . 1 . . . . . 311 ILE C . 27495 1 464 . 1 . 1 135 135 ILE CA C 13 60.768 0.14 . 1 . . . . . 311 ILE CA . 27495 1 465 . 1 . 1 135 135 ILE CB C 13 37.737 0.04 . 1 . . . . . 311 ILE CB . 27495 1 466 . 1 . 1 135 135 ILE N N 15 121.506 0.06 . 1 . . . . . 311 ILE N . 27495 1 467 . 1 . 1 136 136 ASN H H 1 7.201 0.01 . 1 . . . . . 312 ASN H . 27495 1 468 . 1 . 1 136 136 ASN C C 13 173.255 0.03 . 1 . . . . . 312 ASN C . 27495 1 469 . 1 . 1 136 136 ASN CA C 13 52.607 0.06 . 1 . . . . . 312 ASN CA . 27495 1 470 . 1 . 1 136 136 ASN CB C 13 42.575 0.02 . 1 . . . . . 312 ASN CB . 27495 1 471 . 1 . 1 136 136 ASN N N 15 116.500 0.06 . 1 . . . . . 312 ASN N . 27495 1 472 . 1 . 1 137 137 THR H H 1 7.797 0.01 . 1 . . . . . 313 THR H . 27495 1 473 . 1 . 1 137 137 THR C C 13 172.540 0.01 . 1 . . . . . 313 THR C . 27495 1 474 . 1 . 1 137 137 THR CA C 13 60.960 0.03 . 1 . . . . . 313 THR CA . 27495 1 475 . 1 . 1 137 137 THR CB C 13 70.452 0.00 . 1 . . . . . 313 THR CB . 27495 1 476 . 1 . 1 137 137 THR N N 15 116.032 0.03 . 1 . . . . . 313 THR N . 27495 1 477 . 1 . 1 138 138 PHE H H 1 9.367 0.01 . 1 . . . . . 314 PHE H . 27495 1 478 . 1 . 1 138 138 PHE C C 13 174.469 0.02 . 1 . . . . . 314 PHE C . 27495 1 479 . 1 . 1 138 138 PHE CA C 13 56.192 0.02 . 1 . . . . . 314 PHE CA . 27495 1 480 . 1 . 1 138 138 PHE CB C 13 39.770 0.04 . 1 . . . . . 314 PHE CB . 27495 1 481 . 1 . 1 138 138 PHE N N 15 126.209 0.03 . 1 . . . . . 314 PHE N . 27495 1 482 . 1 . 1 139 139 HIS H H 1 8.991 0.00 . 1 . . . . . 315 HIS H . 27495 1 483 . 1 . 1 139 139 HIS C C 13 175.622 0.02 . 1 . . . . . 315 HIS C . 27495 1 484 . 1 . 1 139 139 HIS CA C 13 55.253 0.04 . 1 . . . . . 315 HIS CA . 27495 1 485 . 1 . 1 139 139 HIS CB C 13 32.050 0.01 . 1 . . . . . 315 HIS CB . 27495 1 486 . 1 . 1 139 139 HIS N N 15 118.683 0.02 . 1 . . . . . 315 HIS N . 27495 1 487 . 1 . 1 140 140 GLY H H 1 8.839 0.00 . 1 . . . . . 316 GLY H . 27495 1 488 . 1 . 1 140 140 GLY C C 13 174.270 0.00 . 1 . . . . . 316 GLY C . 27495 1 489 . 1 . 1 140 140 GLY CA C 13 43.642 0.02 . 1 . . . . . 316 GLY CA . 27495 1 490 . 1 . 1 140 140 GLY N N 15 108.833 0.03 . 1 . . . . . 316 GLY N . 27495 1 491 . 1 . 1 141 141 ILE H H 1 8.503 0.01 . 1 . . . . . 317 ILE H . 27495 1 492 . 1 . 1 141 141 ILE C C 13 176.580 0.03 . 1 . . . . . 317 ILE C . 27495 1 493 . 1 . 1 141 141 ILE CA C 13 62.121 0.04 . 1 . . . . . 317 ILE CA . 27495 1 494 . 1 . 1 141 141 ILE CB C 13 37.444 0.03 . 1 . . . . . 317 ILE CB . 27495 1 495 . 1 . 1 141 141 ILE N N 15 117.793 0.05 . 1 . . . . . 317 ILE N . 27495 1 496 . 1 . 1 142 142 HIS H H 1 8.141 0.00 . 1 . . . . . 318 HIS H . 27495 1 497 . 1 . 1 142 142 HIS C C 13 174.740 0.01 . 1 . . . . . 318 HIS C . 27495 1 498 . 1 . 1 142 142 HIS CA C 13 54.483 0.06 . 1 . . . . . 318 HIS CA . 27495 1 499 . 1 . 1 142 142 HIS CB C 13 30.447 0.00 . 1 . . . . . 318 HIS CB . 27495 1 500 . 1 . 1 142 142 HIS N N 15 119.133 0.06 . 1 . . . . . 318 HIS N . 27495 1 501 . 1 . 1 143 143 GLN H H 1 8.534 0.00 . 1 . . . . . 319 GLN H . 27495 1 502 . 1 . 1 143 143 GLN C C 13 175.424 0.00 . 1 . . . . . 319 GLN C . 27495 1 503 . 1 . 1 143 143 GLN CA C 13 55.604 0.01 . 1 . . . . . 319 GLN CA . 27495 1 504 . 1 . 1 143 143 GLN CB C 13 28.849 0.00 . 1 . . . . . 319 GLN CB . 27495 1 505 . 1 . 1 143 143 GLN N N 15 121.282 0.03 . 1 . . . . . 319 GLN N . 27495 1 506 . 1 . 1 144 144 ASN H H 1 8.628 0.00 . 1 . . . . . 320 ASN H . 27495 1 507 . 1 . 1 144 144 ASN C C 13 174.977 0.01 . 1 . . . . . 320 ASN C . 27495 1 508 . 1 . 1 144 144 ASN CA C 13 52.519 0.02 . 1 . . . . . 320 ASN CA . 27495 1 509 . 1 . 1 144 144 ASN CB C 13 38.539 0.00 . 1 . . . . . 320 ASN CB . 27495 1 510 . 1 . 1 144 144 ASN N N 15 120.849 0.02 . 1 . . . . . 320 ASN N . 27495 1 511 . 1 . 1 145 145 GLU H H 1 8.470 0.00 . 1 . . . . . 321 GLU H . 27495 1 512 . 1 . 1 145 145 GLU C C 13 176.293 0.04 . 1 . . . . . 321 GLU C . 27495 1 513 . 1 . 1 145 145 GLU CA C 13 55.849 0.03 . 1 . . . . . 321 GLU CA . 27495 1 514 . 1 . 1 145 145 GLU CB C 13 29.438 0.18 . 1 . . . . . 321 GLU CB . 27495 1 515 . 1 . 1 145 145 GLU N N 15 119.017 0.02 . 1 . . . . . 321 GLU N . 27495 1 516 . 1 . 1 146 146 ASP H H 1 8.142 0.00 . 1 . . . . . 322 ASP H . 27495 1 517 . 1 . 1 146 146 ASP C C 13 175.702 0.01 . 1 . . . . . 322 ASP C . 27495 1 518 . 1 . 1 146 146 ASP CA C 13 54.477 0.01 . 1 . . . . . 322 ASP CA . 27495 1 519 . 1 . 1 146 146 ASP CB C 13 41.029 0.23 . 1 . . . . . 322 ASP CB . 27495 1 520 . 1 . 1 146 146 ASP N N 15 120.834 0.04 . 1 . . . . . 322 ASP N . 27495 1 521 . 1 . 1 147 147 GLU H H 1 8.657 0.00 . 1 . . . . . 323 GLU H . 27495 1 522 . 1 . 1 147 147 GLU C C 13 174.249 0.00 . 1 . . . . . 323 GLU C . 27495 1 523 . 1 . 1 147 147 GLU CA C 13 53.925 0.02 . 1 . . . . . 323 GLU CA . 27495 1 524 . 1 . 1 147 147 GLU CB C 13 29.194 0.00 . 1 . . . . . 323 GLU CB . 27495 1 525 . 1 . 1 147 147 GLU N N 15 121.031 0.03 . 1 . . . . . 323 GLU N . 27495 1 526 . 1 . 1 148 148 PRO C C 13 176.467 0.01 . 1 . . . . . 324 PRO C . 27495 1 527 . 1 . 1 148 148 PRO CA C 13 62.877 0.03 . 1 . . . . . 324 PRO CA . 27495 1 528 . 1 . 1 148 148 PRO CB C 13 31.764 0.00 . 1 . . . . . 324 PRO CB . 27495 1 529 . 1 . 1 149 149 ILE H H 1 9.128 0.00 . 1 . . . . . 325 ILE H . 27495 1 530 . 1 . 1 149 149 ILE C C 13 174.768 0.02 . 1 . . . . . 325 ILE C . 27495 1 531 . 1 . 1 149 149 ILE CA C 13 60.703 0.03 . 1 . . . . . 325 ILE CA . 27495 1 532 . 1 . 1 149 149 ILE CB C 13 37.804 0.01 . 1 . . . . . 325 ILE CB . 27495 1 533 . 1 . 1 149 149 ILE N N 15 124.163 0.03 . 1 . . . . . 325 ILE N . 27495 1 534 . 1 . 1 150 150 ARG H H 1 8.593 0.00 . 1 . . . . . 326 ARG H . 27495 1 535 . 1 . 1 150 150 ARG C C 13 175.060 0.04 . 1 . . . . . 326 ARG C . 27495 1 536 . 1 . 1 150 150 ARG CA C 13 54.578 0.09 . 1 . . . . . 326 ARG CA . 27495 1 537 . 1 . 1 150 150 ARG CB C 13 31.504 0.00 . 1 . . . . . 326 ARG CB . 27495 1 538 . 1 . 1 150 150 ARG N N 15 125.913 0.05 . 1 . . . . . 326 ARG N . 27495 1 539 . 1 . 1 151 151 VAL H H 1 9.208 0.01 . 1 . . . . . 327 VAL H . 27495 1 540 . 1 . 1 151 151 VAL C C 13 173.707 0.01 . 1 . . . . . 327 VAL C . 27495 1 541 . 1 . 1 151 151 VAL CA C 13 57.827 0.03 . 1 . . . . . 327 VAL CA . 27495 1 542 . 1 . 1 151 151 VAL CB C 13 34.462 0.00 . 1 . . . . . 327 VAL CB . 27495 1 543 . 1 . 1 151 151 VAL N N 15 115.574 0.06 . 1 . . . . . 327 VAL N . 27495 1 544 . 1 . 1 152 152 SER H H 1 8.739 0.00 . 1 . . . . . 328 SER H . 27495 1 545 . 1 . 1 152 152 SER C C 13 173.100 0.01 . 1 . . . . . 328 SER C . 27495 1 546 . 1 . 1 152 152 SER CA C 13 55.343 0.02 . 1 . . . . . 328 SER CA . 27495 1 547 . 1 . 1 152 152 SER CB C 13 63.261 0.15 . 1 . . . . . 328 SER CB . 27495 1 548 . 1 . 1 152 152 SER N N 15 116.394 0.02 . 1 . . . . . 328 SER N . 27495 1 549 . 1 . 1 153 153 TYR H H 1 8.428 0.00 . 1 . . . . . 329 TYR H . 27495 1 550 . 1 . 1 153 153 TYR CA C 13 53.754 0.03 . 1 . . . . . 329 TYR CA . 27495 1 551 . 1 . 1 153 153 TYR N N 15 122.938 0.04 . 1 . . . . . 329 TYR N . 27495 1 552 . 1 . 1 159 159 TYR C C 13 173.486 0.01 . 1 . . . . . 335 TYR C . 27495 1 553 . 1 . 1 159 159 TYR CA C 13 56.492 0.03 . 1 . . . . . 335 TYR CA . 27495 1 554 . 1 . 1 159 159 TYR CB C 13 40.453 0.00 . 1 . . . . . 335 TYR CB . 27495 1 555 . 1 . 1 160 160 ASN H H 1 8.761 0.00 . 1 . . . . . 336 ASN H . 27495 1 556 . 1 . 1 160 160 ASN C C 13 174.846 0.02 . 1 . . . . . 336 ASN C . 27495 1 557 . 1 . 1 160 160 ASN CA C 13 50.403 0.08 . 1 . . . . . 336 ASN CA . 27495 1 558 . 1 . 1 160 160 ASN CB C 13 42.273 0.00 . 1 . . . . . 336 ASN CB . 27495 1 559 . 1 . 1 160 160 ASN N N 15 112.899 0.02 . 1 . . . . . 336 ASN N . 27495 1 560 . 1 . 1 161 161 SER H H 1 7.551 0.00 . 1 . . . . . 337 SER H . 27495 1 561 . 1 . 1 161 161 SER C C 13 173.236 0.01 . 1 . . . . . 337 SER C . 27495 1 562 . 1 . 1 161 161 SER CA C 13 56.072 0.01 . 1 . . . . . 337 SER CA . 27495 1 563 . 1 . 1 161 161 SER CB C 13 64.630 0.04 . 1 . . . . . 337 SER CB . 27495 1 564 . 1 . 1 161 161 SER N N 15 112.124 0.03 . 1 . . . . . 337 SER N . 27495 1 565 . 1 . 1 162 162 VAL H H 1 7.753 0.00 . 1 . . . . . 338 VAL H . 27495 1 566 . 1 . 1 162 162 VAL C C 13 174.469 0.01 . 1 . . . . . 338 VAL C . 27495 1 567 . 1 . 1 162 162 VAL CA C 13 61.358 0.00 . 1 . . . . . 338 VAL CA . 27495 1 568 . 1 . 1 162 162 VAL CB C 13 30.215 0.00 . 1 . . . . . 338 VAL CB . 27495 1 569 . 1 . 1 162 162 VAL N N 15 128.177 0.02 . 1 . . . . . 338 VAL N . 27495 1 570 . 1 . 1 163 163 VAL H H 1 9.072 0.00 . 1 . . . . . 339 VAL H . 27495 1 571 . 1 . 1 163 163 VAL C C 13 174.500 0.02 . 1 . . . . . 339 VAL C . 27495 1 572 . 1 . 1 163 163 VAL CA C 13 60.380 0.03 . 1 . . . . . 339 VAL CA . 27495 1 573 . 1 . 1 163 163 VAL CB C 13 34.206 0.00 . 1 . . . . . 339 VAL CB . 27495 1 574 . 1 . 1 163 163 VAL N N 15 126.502 0.08 . 1 . . . . . 339 VAL N . 27495 1 575 . 1 . 1 164 164 ASN H H 1 8.787 0.00 . 1 . . . . . 340 ASN H . 27495 1 576 . 1 . 1 164 164 ASN C C 13 174.644 0.00 . 1 . . . . . 340 ASN C . 27495 1 577 . 1 . 1 164 164 ASN CA C 13 48.624 0.01 . 1 . . . . . 340 ASN CA . 27495 1 578 . 1 . 1 164 164 ASN CB C 13 38.509 0.00 . 1 . . . . . 340 ASN CB . 27495 1 579 . 1 . 1 164 164 ASN N N 15 121.940 0.03 . 1 . . . . . 340 ASN N . 27495 1 580 . 1 . 1 165 165 PRO C C 13 176.596 0.02 . 1 . . . . . 341 PRO C . 27495 1 581 . 1 . 1 165 165 PRO CA C 13 63.144 0.01 . 1 . . . . . 341 PRO CA . 27495 1 582 . 1 . 1 165 165 PRO CB C 13 31.365 0.00 . 1 . . . . . 341 PRO CB . 27495 1 583 . 1 . 1 166 166 ASN H H 1 7.762 0.00 . 1 . . . . . 342 ASN H . 27495 1 584 . 1 . 1 166 166 ASN C C 13 174.598 0.00 . 1 . . . . . 342 ASN C . 27495 1 585 . 1 . 1 166 166 ASN CA C 13 52.929 0.02 . 1 . . . . . 342 ASN CA . 27495 1 586 . 1 . 1 166 166 ASN CB C 13 38.364 0.01 . 1 . . . . . 342 ASN CB . 27495 1 587 . 1 . 1 166 166 ASN N N 15 116.422 0.01 . 1 . . . . . 342 ASN N . 27495 1 588 . 1 . 1 167 167 LYS H H 1 7.620 0.00 . 1 . . . . . 343 LYS H . 27495 1 589 . 1 . 1 167 167 LYS C C 13 175.060 0.02 . 1 . . . . . 343 LYS C . 27495 1 590 . 1 . 1 167 167 LYS CA C 13 55.747 0.01 . 1 . . . . . 343 LYS CA . 27495 1 591 . 1 . 1 167 167 LYS CB C 13 32.117 0.01 . 1 . . . . . 343 LYS CB . 27495 1 592 . 1 . 1 167 167 LYS N N 15 121.420 0.03 . 1 . . . . . 343 LYS N . 27495 1 593 . 1 . 1 168 168 ALA H H 1 8.045 0.00 . 1 . . . . . 344 ALA H . 27495 1 594 . 1 . 1 168 168 ALA C C 13 182.629 0.00 . 1 . . . . . 344 ALA C . 27495 1 595 . 1 . 1 168 168 ALA CA C 13 53.452 0.02 . 1 . . . . . 344 ALA CA . 27495 1 596 . 1 . 1 168 168 ALA CB C 13 19.271 0.00 . 1 . . . . . 344 ALA CB . 27495 1 597 . 1 . 1 168 168 ALA N N 15 131.808 0.03 . 1 . . . . . 344 ALA N . 27495 1 stop_ save_