data_51033 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51033 _Entry.Title ; Chemical shift assignments of ANAC046(172-338) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-28 _Entry.Accession_date 2021-07-28 _Entry.Last_release_date 2021-07-28 _Entry.Original_release_date 2021-07-28 _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 ; C-terminal region of the Arabidopsis thaliana ANA046 protein (ANAC: Arabidopsis no apical meristem [NAM], Arabidopsis transcription activation factor [ATAF], and cup-shaped cotyledon [CUC]). ; _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 Inna Brakti . . . . 51033 2 Estella Newcombe . . . . 51033 3 Karen Skriver . . . . 51033 4 Birthe Kragelund . . . . 51033 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . SBiNLab . 51033 2 . REPIN . 51033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 372 51033 '15N chemical shifts' 146 51033 '1H chemical shifts' 167 51033 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-11-03 . original BMRB . 51033 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51033 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34439840 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Insight into calcium-binding motifs of intrinsically disordered proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 11 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _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 1173 _Citation.Page_last 1173 _Citation.Year 2021 _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 Estella Newcombe . A. . . 51033 1 2 Catarina Fernandes . B. . . 51033 1 3 Jeppe Lundsgaard . E. . . 51033 1 4 Inna Brakti . . . . 51033 1 5 Kresten Lindorff-Larsen . . . . 51033 1 6 Annette Langkilde . E. . . 51033 1 7 Karen Skriver . . . . 51033 1 8 Birthe Kragelund . B. . . 51033 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDP 51033 1 'Intrinsically disordered proteins' 51033 1 NMR 51033 1 SLiM 51033 1 calcium 51033 1 motifs 51033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51033 _Assembly.ID 1 _Assembly.Name 'ANAC046(172-338) monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ANAC046(172-338) monomer' 1 $entity_1 . . yes native no no . . . 51033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NAPSTTITTTKQLSRIDSLD NIDHLLDFSSLPPLIDPGFL GQPGPSFSGARQQHDLKPVL HHPTTAPVDNTYLPTQALNF PYHSVHNSGSDFGYGAGSGN NNKGMIKLEHSLVSVSQETG LSSDVNTTATPEISSYPMMM NPAMMDGSKSACDGLDDLIF WEDLYTS ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 172 ASN . 51033 1 2 173 ALA . 51033 1 3 174 PRO . 51033 1 4 175 SER . 51033 1 5 176 THR . 51033 1 6 177 THR . 51033 1 7 178 ILE . 51033 1 8 179 THR . 51033 1 9 180 THR . 51033 1 10 181 THR . 51033 1 11 182 LYS . 51033 1 12 183 GLN . 51033 1 13 184 LEU . 51033 1 14 185 SER . 51033 1 15 186 ARG . 51033 1 16 187 ILE . 51033 1 17 188 ASP . 51033 1 18 189 SER . 51033 1 19 190 LEU . 51033 1 20 191 ASP . 51033 1 21 192 ASN . 51033 1 22 193 ILE . 51033 1 23 194 ASP . 51033 1 24 195 HIS . 51033 1 25 196 LEU . 51033 1 26 197 LEU . 51033 1 27 198 ASP . 51033 1 28 199 PHE . 51033 1 29 200 SER . 51033 1 30 201 SER . 51033 1 31 202 LEU . 51033 1 32 203 PRO . 51033 1 33 204 PRO . 51033 1 34 205 LEU . 51033 1 35 206 ILE . 51033 1 36 207 ASP . 51033 1 37 208 PRO . 51033 1 38 209 GLY . 51033 1 39 210 PHE . 51033 1 40 211 LEU . 51033 1 41 212 GLY . 51033 1 42 213 GLN . 51033 1 43 214 PRO . 51033 1 44 215 GLY . 51033 1 45 216 PRO . 51033 1 46 217 SER . 51033 1 47 218 PHE . 51033 1 48 219 SER . 51033 1 49 220 GLY . 51033 1 50 221 ALA . 51033 1 51 222 ARG . 51033 1 52 223 GLN . 51033 1 53 224 GLN . 51033 1 54 225 HIS . 51033 1 55 226 ASP . 51033 1 56 227 LEU . 51033 1 57 228 LYS . 51033 1 58 229 PRO . 51033 1 59 230 VAL . 51033 1 60 231 LEU . 51033 1 61 232 HIS . 51033 1 62 233 HIS . 51033 1 63 234 PRO . 51033 1 64 235 THR . 51033 1 65 236 THR . 51033 1 66 237 ALA . 51033 1 67 238 PRO . 51033 1 68 239 VAL . 51033 1 69 240 ASP . 51033 1 70 241 ASN . 51033 1 71 242 THR . 51033 1 72 243 TYR . 51033 1 73 244 LEU . 51033 1 74 245 PRO . 51033 1 75 246 THR . 51033 1 76 247 GLN . 51033 1 77 248 ALA . 51033 1 78 249 LEU . 51033 1 79 250 ASN . 51033 1 80 251 PHE . 51033 1 81 252 PRO . 51033 1 82 253 TYR . 51033 1 83 254 HIS . 51033 1 84 255 SER . 51033 1 85 256 VAL . 51033 1 86 257 HIS . 51033 1 87 258 ASN . 51033 1 88 259 SER . 51033 1 89 260 GLY . 51033 1 90 261 SER . 51033 1 91 262 ASP . 51033 1 92 263 PHE . 51033 1 93 264 GLY . 51033 1 94 265 TYR . 51033 1 95 266 GLY . 51033 1 96 267 ALA . 51033 1 97 268 GLY . 51033 1 98 269 SER . 51033 1 99 270 GLY . 51033 1 100 271 ASN . 51033 1 101 272 ASN . 51033 1 102 273 ASN . 51033 1 103 274 LYS . 51033 1 104 275 GLY . 51033 1 105 276 MET . 51033 1 106 277 ILE . 51033 1 107 278 LYS . 51033 1 108 279 LEU . 51033 1 109 280 GLU . 51033 1 110 281 HIS . 51033 1 111 282 SER . 51033 1 112 283 LEU . 51033 1 113 284 VAL . 51033 1 114 285 SER . 51033 1 115 286 VAL . 51033 1 116 287 SER . 51033 1 117 288 GLN . 51033 1 118 289 GLU . 51033 1 119 290 THR . 51033 1 120 291 GLY . 51033 1 121 292 LEU . 51033 1 122 293 SER . 51033 1 123 294 SER . 51033 1 124 295 ASP . 51033 1 125 296 VAL . 51033 1 126 297 ASN . 51033 1 127 298 THR . 51033 1 128 299 THR . 51033 1 129 300 ALA . 51033 1 130 301 THR . 51033 1 131 302 PRO . 51033 1 132 303 GLU . 51033 1 133 304 ILE . 51033 1 134 305 SER . 51033 1 135 306 SER . 51033 1 136 307 TYR . 51033 1 137 308 PRO . 51033 1 138 309 MET . 51033 1 139 310 MET . 51033 1 140 311 MET . 51033 1 141 312 ASN . 51033 1 142 313 PRO . 51033 1 143 314 ALA . 51033 1 144 315 MET . 51033 1 145 316 MET . 51033 1 146 317 ASP . 51033 1 147 318 GLY . 51033 1 148 319 SER . 51033 1 149 320 LYS . 51033 1 150 321 SER . 51033 1 151 322 ALA . 51033 1 152 323 CYS . 51033 1 153 324 ASP . 51033 1 154 325 GLY . 51033 1 155 326 LEU . 51033 1 156 327 ASP . 51033 1 157 328 ASP . 51033 1 158 329 LEU . 51033 1 159 330 ILE . 51033 1 160 331 PHE . 51033 1 161 332 TRP . 51033 1 162 333 GLU . 51033 1 163 334 ASP . 51033 1 164 335 LEU . 51033 1 165 336 TYR . 51033 1 166 337 THR . 51033 1 167 338 SER . 51033 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 . ASN 1 1 51033 1 . ALA 2 2 51033 1 . PRO 3 3 51033 1 . SER 4 4 51033 1 . THR 5 5 51033 1 . THR 6 6 51033 1 . ILE 7 7 51033 1 . THR 8 8 51033 1 . THR 9 9 51033 1 . THR 10 10 51033 1 . LYS 11 11 51033 1 . GLN 12 12 51033 1 . LEU 13 13 51033 1 . SER 14 14 51033 1 . ARG 15 15 51033 1 . ILE 16 16 51033 1 . ASP 17 17 51033 1 . SER 18 18 51033 1 . LEU 19 19 51033 1 . ASP 20 20 51033 1 . ASN 21 21 51033 1 . ILE 22 22 51033 1 . ASP 23 23 51033 1 . HIS 24 24 51033 1 . LEU 25 25 51033 1 . LEU 26 26 51033 1 . ASP 27 27 51033 1 . PHE 28 28 51033 1 . SER 29 29 51033 1 . SER 30 30 51033 1 . LEU 31 31 51033 1 . PRO 32 32 51033 1 . PRO 33 33 51033 1 . LEU 34 34 51033 1 . ILE 35 35 51033 1 . ASP 36 36 51033 1 . PRO 37 37 51033 1 . GLY 38 38 51033 1 . PHE 39 39 51033 1 . LEU 40 40 51033 1 . GLY 41 41 51033 1 . GLN 42 42 51033 1 . PRO 43 43 51033 1 . GLY 44 44 51033 1 . PRO 45 45 51033 1 . SER 46 46 51033 1 . PHE 47 47 51033 1 . SER 48 48 51033 1 . GLY 49 49 51033 1 . ALA 50 50 51033 1 . ARG 51 51 51033 1 . GLN 52 52 51033 1 . GLN 53 53 51033 1 . HIS 54 54 51033 1 . ASP 55 55 51033 1 . LEU 56 56 51033 1 . LYS 57 57 51033 1 . PRO 58 58 51033 1 . VAL 59 59 51033 1 . LEU 60 60 51033 1 . HIS 61 61 51033 1 . HIS 62 62 51033 1 . PRO 63 63 51033 1 . THR 64 64 51033 1 . THR 65 65 51033 1 . ALA 66 66 51033 1 . PRO 67 67 51033 1 . VAL 68 68 51033 1 . ASP 69 69 51033 1 . ASN 70 70 51033 1 . THR 71 71 51033 1 . TYR 72 72 51033 1 . LEU 73 73 51033 1 . PRO 74 74 51033 1 . THR 75 75 51033 1 . GLN 76 76 51033 1 . ALA 77 77 51033 1 . LEU 78 78 51033 1 . ASN 79 79 51033 1 . PHE 80 80 51033 1 . PRO 81 81 51033 1 . TYR 82 82 51033 1 . HIS 83 83 51033 1 . SER 84 84 51033 1 . VAL 85 85 51033 1 . HIS 86 86 51033 1 . ASN 87 87 51033 1 . SER 88 88 51033 1 . GLY 89 89 51033 1 . SER 90 90 51033 1 . ASP 91 91 51033 1 . PHE 92 92 51033 1 . GLY 93 93 51033 1 . TYR 94 94 51033 1 . GLY 95 95 51033 1 . ALA 96 96 51033 1 . GLY 97 97 51033 1 . SER 98 98 51033 1 . GLY 99 99 51033 1 . ASN 100 100 51033 1 . ASN 101 101 51033 1 . ASN 102 102 51033 1 . LYS 103 103 51033 1 . GLY 104 104 51033 1 . MET 105 105 51033 1 . ILE 106 106 51033 1 . LYS 107 107 51033 1 . LEU 108 108 51033 1 . GLU 109 109 51033 1 . HIS 110 110 51033 1 . SER 111 111 51033 1 . LEU 112 112 51033 1 . VAL 113 113 51033 1 . SER 114 114 51033 1 . VAL 115 115 51033 1 . SER 116 116 51033 1 . GLN 117 117 51033 1 . GLU 118 118 51033 1 . THR 119 119 51033 1 . GLY 120 120 51033 1 . LEU 121 121 51033 1 . SER 122 122 51033 1 . SER 123 123 51033 1 . ASP 124 124 51033 1 . VAL 125 125 51033 1 . ASN 126 126 51033 1 . THR 127 127 51033 1 . THR 128 128 51033 1 . ALA 129 129 51033 1 . THR 130 130 51033 1 . PRO 131 131 51033 1 . GLU 132 132 51033 1 . ILE 133 133 51033 1 . SER 134 134 51033 1 . SER 135 135 51033 1 . TYR 136 136 51033 1 . PRO 137 137 51033 1 . MET 138 138 51033 1 . MET 139 139 51033 1 . MET 140 140 51033 1 . ASN 141 141 51033 1 . PRO 142 142 51033 1 . ALA 143 143 51033 1 . MET 144 144 51033 1 . MET 145 145 51033 1 . ASP 146 146 51033 1 . GLY 147 147 51033 1 . SER 148 148 51033 1 . LYS 149 149 51033 1 . SER 150 150 51033 1 . ALA 151 151 51033 1 . CYS 152 152 51033 1 . ASP 153 153 51033 1 . GLY 154 154 51033 1 . LEU 155 155 51033 1 . ASP 156 156 51033 1 . ASP 157 157 51033 1 . LEU 158 158 51033 1 . ILE 159 159 51033 1 . PHE 160 160 51033 1 . TRP 161 161 51033 1 . GLU 162 162 51033 1 . ASP 163 163 51033 1 . LEU 164 164 51033 1 . TYR 165 165 51033 1 . THR 166 166 51033 1 . SER 167 167 51033 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51033 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 51033 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51033 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-11a . . . 51033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51033 _Sample.ID 1 _Sample.Name ANAC046(172-338)-HEPES _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ANAC046(172-338) monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 80 . . uM . . . . 51033 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51033 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51033 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51033 1 5 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 51033 1 6 DSS 'natural abundance' . . . . . . 250 . . uM . . . . 51033 1 7 'sodium azide' 'natural abundance' . . . . . . 1 . . '% v/v' . . . . 51033 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51033 _Sample.ID 2 _Sample.Name ANAC046(172-338)-Phosphate _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ANAC046(172-338) monomer' '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51033 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51033 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51033 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51033 2 5 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 51033 2 6 DSS 'natural abundance' . . . . . . 250 . . uM . . . . 51033 2 7 'sodium azide' 'natural abundance' . . . . . . 1 . . '% v/v' . . . . 51033 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51033 _Sample_condition_list.ID 1 _Sample_condition_list.Name ConditionsANAC046 _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' 100 . mM 51033 1 pH 7.0 . pH 51033 1 pressure 1 . atm 51033 1 temperature 283 . K 51033 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51033 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51033 1 processing . 51033 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51033 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51033 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51033 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51033 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51033 _Software.ID 4 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51033 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51033 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 750 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51033 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51033 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51033 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51033 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51033 1 5 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51033 1 6 '3D HNCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51033 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51033 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ANAC046_Ref _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 51033 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51033 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 51033 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ANAC046C-CS _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51033 1 2 '3D HNCACB' . . . 51033 1 3 '3D CBCACONH' . . . 51033 1 4 '3D HNCO' . . . 51033 1 5 '3D HNCA' . . . 51033 1 6 '3D HNCACO' . . . 51033 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 51033 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PRO C C 13 177.045 0.000 . 1 . . . . . 174 PRO C . 51033 1 2 . 1 . 1 3 3 PRO CA C 13 62.963 0.000 . 1 . . . . . 174 PRO CA . 51033 1 3 . 1 . 1 3 3 PRO CB C 13 32.148 0.000 . 1 . . . . . 174 PRO CB . 51033 1 4 . 1 . 1 4 4 SER H H 1 8.601 0.002 . 1 . . . . . 175 SER H . 51033 1 5 . 1 . 1 4 4 SER C C 13 175.059 0.000 . 1 . . . . . 175 SER C . 51033 1 6 . 1 . 1 4 4 SER CA C 13 58.381 0.000 . 1 . . . . . 175 SER CA . 51033 1 7 . 1 . 1 4 4 SER CB C 13 63.788 0.000 . 1 . . . . . 175 SER CB . 51033 1 8 . 1 . 1 4 4 SER N N 15 116.452 0.016 . 1 . . . . . 175 SER N . 51033 1 9 . 1 . 1 5 5 THR H H 1 8.324 0.002 . 1 . . . . . 176 THR H . 51033 1 10 . 1 . 1 5 5 THR CA C 13 61.849 0.000 . 1 . . . . . 176 THR CA . 51033 1 11 . 1 . 1 5 5 THR CB C 13 69.767 0.000 . 1 . . . . . 176 THR CB . 51033 1 12 . 1 . 1 5 5 THR N N 15 116.057 0.025 . 1 . . . . . 176 THR N . 51033 1 13 . 1 . 1 6 6 THR H H 1 8.284 0.002 . 1 . . . . . 177 THR H . 51033 1 14 . 1 . 1 6 6 THR C C 13 174.404 0.000 . 1 . . . . . 177 THR C . 51033 1 15 . 1 . 1 6 6 THR CA C 13 62.103 0.000 . 1 . . . . . 177 THR CA . 51033 1 16 . 1 . 1 6 6 THR CB C 13 69.816 0.000 . 1 . . . . . 177 THR CB . 51033 1 17 . 1 . 1 6 6 THR N N 15 117.518 0.045 . 1 . . . . . 177 THR N . 51033 1 18 . 1 . 1 7 7 ILE H H 1 8.366 0.002 . 1 . . . . . 178 ILE H . 51033 1 19 . 1 . 1 7 7 ILE C C 13 176.485 0.000 . 1 . . . . . 178 ILE C . 51033 1 20 . 1 . 1 7 7 ILE CA C 13 61.118 0.000 . 1 . . . . . 178 ILE CA . 51033 1 21 . 1 . 1 7 7 ILE CB C 13 38.602 0.000 . 1 . . . . . 178 ILE CB . 51033 1 22 . 1 . 1 7 7 ILE N N 15 124.595 0.042 . 1 . . . . . 178 ILE N . 51033 1 23 . 1 . 1 8 8 THR H H 1 8.441 0.002 . 1 . . . . . 179 THR H . 51033 1 24 . 1 . 1 8 8 THR CA C 13 61.948 0.000 . 1 . . . . . 179 THR CA . 51033 1 25 . 1 . 1 8 8 THR CB C 13 69.814 0.000 . 1 . . . . . 179 THR CB . 51033 1 26 . 1 . 1 8 8 THR N N 15 119.530 0.016 . 1 . . . . . 179 THR N . 51033 1 27 . 1 . 1 9 9 THR H H 1 8.321 0.002 . 1 . . . . . 180 THR H . 51033 1 28 . 1 . 1 9 9 THR CA C 13 61.903 0.000 . 1 . . . . . 180 THR CA . 51033 1 29 . 1 . 1 9 9 THR CB C 13 69.805 0.000 . 1 . . . . . 180 THR CB . 51033 1 30 . 1 . 1 9 9 THR N N 15 116.993 0.009 . 1 . . . . . 180 THR N . 51033 1 31 . 1 . 1 10 10 THR H H 1 8.272 0.001 . 1 . . . . . 181 THR H . 51033 1 32 . 1 . 1 10 10 THR CA C 13 62.088 0.000 . 1 . . . . . 181 THR CA . 51033 1 33 . 1 . 1 10 10 THR CB C 13 69.661 0.000 . 1 . . . . . 181 THR CB . 51033 1 34 . 1 . 1 10 10 THR N N 15 117.082 0.003 . 1 . . . . . 181 THR N . 51033 1 35 . 1 . 1 11 11 LYS H H 1 8.446 0.003 . 1 . . . . . 182 LYS H . 51033 1 36 . 1 . 1 11 11 LYS CA C 13 56.528 0.000 . 1 . . . . . 182 LYS CA . 51033 1 37 . 1 . 1 11 11 LYS CB C 13 32.982 0.000 . 1 . . . . . 182 LYS CB . 51033 1 38 . 1 . 1 11 11 LYS N N 15 124.379 0.043 . 1 . . . . . 182 LYS N . 51033 1 39 . 1 . 1 12 12 GLN H H 1 8.505 0.003 . 1 . . . . . 183 GLN H . 51033 1 40 . 1 . 1 12 12 GLN CA C 13 55.864 0.000 . 1 . . . . . 183 GLN CA . 51033 1 41 . 1 . 1 12 12 GLN CB C 13 29.410 0.029 . 1 . . . . . 183 GLN CB . 51033 1 42 . 1 . 1 12 12 GLN N N 15 122.396 0.017 . 1 . . . . . 183 GLN N . 51033 1 43 . 1 . 1 13 13 LEU H H 1 8.451 0.001 . 1 . . . . . 184 LEU H . 51033 1 44 . 1 . 1 13 13 LEU CA C 13 54.206 0.000 . 1 . . . . . 184 LEU CA . 51033 1 45 . 1 . 1 13 13 LEU CB C 13 41.330 0.000 . 1 . . . . . 184 LEU CB . 51033 1 46 . 1 . 1 13 13 LEU N N 15 124.307 0.016 . 1 . . . . . 184 LEU N . 51033 1 47 . 1 . 1 14 14 SER H H 1 8.427 0.002 . 1 . . . . . 185 SER H . 51033 1 48 . 1 . 1 14 14 SER C C 13 174.324 0.000 . 1 . . . . . 185 SER C . 51033 1 49 . 1 . 1 14 14 SER CA C 13 58.063 0.000 . 1 . . . . . 185 SER CA . 51033 1 50 . 1 . 1 14 14 SER CB C 13 64.001 0.000 . 1 . . . . . 185 SER CB . 51033 1 51 . 1 . 1 14 14 SER N N 15 116.987 0.054 . 1 . . . . . 185 SER N . 51033 1 52 . 1 . 1 15 15 ARG H H 1 8.463 0.002 . 1 . . . . . 186 ARG H . 51033 1 53 . 1 . 1 15 15 ARG C C 13 176.444 0.000 . 1 . . . . . 186 ARG C . 51033 1 54 . 1 . 1 15 15 ARG CA C 13 56.286 0.000 . 1 . . . . . 186 ARG CA . 51033 1 55 . 1 . 1 15 15 ARG CB C 13 30.902 0.000 . 1 . . . . . 186 ARG CB . 51033 1 56 . 1 . 1 15 15 ARG N N 15 123.363 0.051 . 1 . . . . . 186 ARG N . 51033 1 57 . 1 . 1 16 16 ILE H H 1 8.316 0.003 . 1 . . . . . 187 ILE H . 51033 1 58 . 1 . 1 16 16 ILE CA C 13 61.630 0.000 . 1 . . . . . 187 ILE CA . 51033 1 59 . 1 . 1 16 16 ILE CB C 13 38.994 0.000 . 1 . . . . . 187 ILE CB . 51033 1 60 . 1 . 1 16 16 ILE N N 15 122.014 0.012 . 1 . . . . . 187 ILE N . 51033 1 61 . 1 . 1 17 17 ASP H H 1 8.439 0.000 . 1 . . . . . 188 ASP H . 51033 1 62 . 1 . 1 17 17 ASP C C 13 176.197 0.000 . 1 . . . . . 188 ASP C . 51033 1 63 . 1 . 1 17 17 ASP CA C 13 54.417 0.000 . 1 . . . . . 188 ASP CA . 51033 1 64 . 1 . 1 17 17 ASP CB C 13 41.310 0.000 . 1 . . . . . 188 ASP CB . 51033 1 65 . 1 . 1 17 17 ASP N N 15 123.980 0.032 . 1 . . . . . 188 ASP N . 51033 1 66 . 1 . 1 18 18 SER H H 1 8.204 0.002 . 1 . . . . . 189 SER H . 51033 1 67 . 1 . 1 18 18 SER C C 13 174.859 0.000 . 1 . . . . . 189 SER C . 51033 1 68 . 1 . 1 18 18 SER CA C 13 58.430 0.000 . 1 . . . . . 189 SER CA . 51033 1 69 . 1 . 1 18 18 SER CB C 13 63.881 0.000 . 1 . . . . . 189 SER CB . 51033 1 70 . 1 . 1 18 18 SER N N 15 115.835 0.025 . 1 . . . . . 189 SER N . 51033 1 71 . 1 . 1 19 19 LEU H H 1 8.418 0.002 . 1 . . . . . 190 LEU H . 51033 1 72 . 1 . 1 19 19 LEU C C 13 177.301 0.000 . 1 . . . . . 190 LEU C . 51033 1 73 . 1 . 1 19 19 LEU CA C 13 55.347 0.000 . 1 . . . . . 190 LEU CA . 51033 1 74 . 1 . 1 19 19 LEU CB C 13 41.901 0.000 . 1 . . . . . 190 LEU CB . 51033 1 75 . 1 . 1 19 19 LEU N N 15 123.911 0.018 . 1 . . . . . 190 LEU N . 51033 1 76 . 1 . 1 20 20 ASP H H 1 8.254 0.002 . 1 . . . . . 191 ASP H . 51033 1 77 . 1 . 1 20 20 ASP C C 13 175.913 0.007 . 1 . . . . . 191 ASP C . 51033 1 78 . 1 . 1 20 20 ASP CA C 13 54.446 0.017 . 1 . . . . . 191 ASP CA . 51033 1 79 . 1 . 1 20 20 ASP CB C 13 41.122 0.000 . 1 . . . . . 191 ASP CB . 51033 1 80 . 1 . 1 20 20 ASP N N 15 119.837 0.025 . 1 . . . . . 191 ASP N . 51033 1 81 . 1 . 1 21 21 ASN H H 1 8.292 0.001 . 1 . . . . . 192 ASN H . 51033 1 82 . 1 . 1 21 21 ASN C C 13 175.394 0.000 . 1 . . . . . 192 ASN C . 51033 1 83 . 1 . 1 21 21 ASN CA C 13 53.260 0.000 . 1 . . . . . 192 ASN CA . 51033 1 84 . 1 . 1 21 21 ASN CB C 13 38.833 0.000 . 1 . . . . . 192 ASN CB . 51033 1 85 . 1 . 1 21 21 ASN N N 15 118.719 0.048 . 1 . . . . . 192 ASN N . 51033 1 86 . 1 . 1 22 22 ILE H H 1 8.090 0.006 . 1 . . . . . 193 ILE H . 51033 1 87 . 1 . 1 22 22 ILE CA C 13 61.460 0.000 . 1 . . . . . 193 ILE CA . 51033 1 88 . 1 . 1 22 22 ILE CB C 13 38.689 0.000 . 1 . . . . . 193 ILE CB . 51033 1 89 . 1 . 1 22 22 ILE N N 15 120.544 0.065 . 1 . . . . . 193 ILE N . 51033 1 90 . 1 . 1 23 23 ASP H H 1 8.421 0.003 . 1 . . . . . 194 ASP H . 51033 1 91 . 1 . 1 23 23 ASP C C 13 176.432 0.000 . 1 . . . . . 194 ASP C . 51033 1 92 . 1 . 1 23 23 ASP CA C 13 54.687 0.000 . 1 . . . . . 194 ASP CA . 51033 1 93 . 1 . 1 23 23 ASP CB C 13 40.928 0.000 . 1 . . . . . 194 ASP CB . 51033 1 94 . 1 . 1 23 23 ASP N N 15 123.379 0.049 . 1 . . . . . 194 ASP N . 51033 1 95 . 1 . 1 24 24 HIS H H 1 8.331 0.001 . 1 . . . . . 195 HIS H . 51033 1 96 . 1 . 1 24 24 HIS C C 13 175.193 0.001 . 1 . . . . . 195 HIS C . 51033 1 97 . 1 . 1 24 24 HIS CA C 13 56.392 0.000 . 1 . . . . . 195 HIS CA . 51033 1 98 . 1 . 1 24 24 HIS CB C 13 29.530 0.000 . 1 . . . . . 195 HIS CB . 51033 1 99 . 1 . 1 24 24 HIS N N 15 119.490 0.028 . 1 . . . . . 195 HIS N . 51033 1 100 . 1 . 1 25 25 LEU H H 1 8.190 0.002 . 1 . . . . . 196 LEU H . 51033 1 101 . 1 . 1 25 25 LEU C C 13 177.635 0.004 . 1 . . . . . 196 LEU C . 51033 1 102 . 1 . 1 25 25 LEU CA C 13 55.684 0.000 . 1 . . . . . 196 LEU CA . 51033 1 103 . 1 . 1 25 25 LEU CB C 13 41.909 0.000 . 1 . . . . . 196 LEU CB . 51033 1 104 . 1 . 1 25 25 LEU N N 15 122.064 0.032 . 1 . . . . . 196 LEU N . 51033 1 105 . 1 . 1 26 26 LEU H H 1 8.067 0.005 . 1 . . . . . 197 LEU H . 51033 1 106 . 1 . 1 26 26 LEU C C 13 176.820 0.000 . 1 . . . . . 197 LEU C . 51033 1 107 . 1 . 1 26 26 LEU CA C 13 55.004 0.000 . 1 . . . . . 197 LEU CA . 51033 1 108 . 1 . 1 26 26 LEU CB C 13 42.125 0.000 . 1 . . . . . 197 LEU CB . 51033 1 109 . 1 . 1 26 26 LEU N N 15 121.478 0.024 . 1 . . . . . 197 LEU N . 51033 1 110 . 1 . 1 27 27 ASP H H 1 8.113 0.003 . 1 . . . . . 198 ASP H . 51033 1 111 . 1 . 1 27 27 ASP CA C 13 54.012 0.012 . 1 . . . . . 198 ASP CA . 51033 1 112 . 1 . 1 27 27 ASP CB C 13 41.059 0.021 . 1 . . . . . 198 ASP CB . 51033 1 113 . 1 . 1 27 27 ASP N N 15 120.525 0.022 . 1 . . . . . 198 ASP N . 51033 1 114 . 1 . 1 28 28 PHE H H 1 8.327 0.002 . 1 . . . . . 199 PHE H . 51033 1 115 . 1 . 1 28 28 PHE CA C 13 58.246 0.000 . 1 . . . . . 199 PHE CA . 51033 1 116 . 1 . 1 28 28 PHE CB C 13 39.014 0.000 . 1 . . . . . 199 PHE CB . 51033 1 117 . 1 . 1 28 28 PHE N N 15 121.690 0.066 . 1 . . . . . 199 PHE N . 51033 1 118 . 1 . 1 29 29 SER H H 1 8.331 0.000 . 1 . . . . . 200 SER H . 51033 1 119 . 1 . 1 29 29 SER CA C 13 59.004 0.000 . 1 . . . . . 200 SER CA . 51033 1 120 . 1 . 1 29 29 SER CB C 13 63.813 0.000 . 1 . . . . . 200 SER CB . 51033 1 121 . 1 . 1 29 29 SER N N 15 116.885 0.016 . 1 . . . . . 200 SER N . 51033 1 122 . 1 . 1 30 30 SER H H 1 8.208 0.001 . 1 . . . . . 201 SER H . 51033 1 123 . 1 . 1 30 30 SER C C 13 174.004 0.000 . 1 . . . . . 201 SER C . 51033 1 124 . 1 . 1 30 30 SER CA C 13 58.281 0.018 . 1 . . . . . 201 SER CA . 51033 1 125 . 1 . 1 30 30 SER CB C 13 63.865 0.023 . 1 . . . . . 201 SER CB . 51033 1 126 . 1 . 1 30 30 SER N N 15 117.581 0.022 . 1 . . . . . 201 SER N . 51033 1 127 . 1 . 1 31 31 LEU H H 1 8.086 0.002 . 1 . . . . . 202 LEU H . 51033 1 128 . 1 . 1 31 31 LEU C C 13 174.740 0.004 . 1 . . . . . 202 LEU C . 51033 1 129 . 1 . 1 31 31 LEU CA C 13 53.054 0.000 . 1 . . . . . 202 LEU CA . 51033 1 130 . 1 . 1 31 31 LEU CB C 13 41.573 0.000 . 1 . . . . . 202 LEU CB . 51033 1 131 . 1 . 1 31 31 LEU N N 15 125.005 0.021 . 1 . . . . . 202 LEU N . 51033 1 132 . 1 . 1 32 32 PRO HA H 1 4.671 0.001 . 1 . . . . . 203 PRO HA . 51033 1 133 . 1 . 1 32 32 PRO CA C 13 61.455 0.002 . 1 . . . . . 203 PRO CA . 51033 1 134 . 1 . 1 32 32 PRO N N 15 137.968 0.017 . 1 . . . . . 203 PRO N . 51033 1 135 . 1 . 1 33 33 PRO HA H 1 4.400 0.003 . 1 . . . . . 204 PRO HA . 51033 1 136 . 1 . 1 33 33 PRO C C 13 174.635 0.000 . 1 . . . . . 204 PRO C . 51033 1 137 . 1 . 1 33 33 PRO CA C 13 62.706 0.003 . 1 . . . . . 204 PRO CA . 51033 1 138 . 1 . 1 33 33 PRO N N 15 134.959 0.012 . 1 . . . . . 204 PRO N . 51033 1 139 . 1 . 1 34 34 LEU H H 1 8.360 0.001 . 1 . . . . . 205 LEU H . 51033 1 140 . 1 . 1 34 34 LEU HA H 1 4.299 0.006 . 1 . . . . . 205 LEU HA . 51033 1 141 . 1 . 1 34 34 LEU C C 13 177.167 0.004 . 1 . . . . . 205 LEU C . 51033 1 142 . 1 . 1 34 34 LEU CA C 13 55.208 0.019 . 1 . . . . . 205 LEU CA . 51033 1 143 . 1 . 1 34 34 LEU CB C 13 42.242 0.000 . 1 . . . . . 205 LEU CB . 51033 1 144 . 1 . 1 34 34 LEU N N 15 122.459 0.031 . 1 . . . . . 205 LEU N . 51033 1 145 . 1 . 1 35 35 ILE H H 1 8.163 0.003 . 1 . . . . . 206 ILE H . 51033 1 146 . 1 . 1 35 35 ILE HA H 1 4.130 0.000 . 1 . . . . . 206 ILE HA . 51033 1 147 . 1 . 1 35 35 ILE C C 13 175.420 0.000 . 1 . . . . . 206 ILE C . 51033 1 148 . 1 . 1 35 35 ILE CA C 13 60.395 0.027 . 1 . . . . . 206 ILE CA . 51033 1 149 . 1 . 1 35 35 ILE CB C 13 38.916 0.000 . 1 . . . . . 206 ILE CB . 51033 1 150 . 1 . 1 35 35 ILE N N 15 122.359 0.080 . 1 . . . . . 206 ILE N . 51033 1 151 . 1 . 1 36 36 ASP H H 1 8.511 0.003 . 1 . . . . . 207 ASP H . 51033 1 152 . 1 . 1 36 36 ASP HA H 1 4.831 0.000 . 1 . . . . . 207 ASP HA . 51033 1 153 . 1 . 1 36 36 ASP CA C 13 51.971 0.019 . 1 . . . . . 207 ASP CA . 51033 1 154 . 1 . 1 36 36 ASP CB C 13 41.664 0.000 . 1 . . . . . 207 ASP CB . 51033 1 155 . 1 . 1 36 36 ASP N N 15 126.788 0.093 . 1 . . . . . 207 ASP N . 51033 1 156 . 1 . 1 37 37 PRO HA H 1 4.385 0.003 . 1 . . . . . 208 PRO HA . 51033 1 157 . 1 . 1 37 37 PRO C C 13 177.679 0.000 . 1 . . . . . 208 PRO C . 51033 1 158 . 1 . 1 37 37 PRO CA C 13 63.848 0.006 . 1 . . . . . 208 PRO CA . 51033 1 159 . 1 . 1 37 37 PRO CB C 13 32.112 0.006 . 1 . . . . . 208 PRO CB . 51033 1 160 . 1 . 1 37 37 PRO N N 15 137.321 0.008 . 1 . . . . . 208 PRO N . 51033 1 161 . 1 . 1 38 38 GLY H H 1 8.579 0.001 . 1 . . . . . 209 GLY H . 51033 1 162 . 1 . 1 38 38 GLY C C 13 174.208 0.009 . 1 . . . . . 209 GLY C . 51033 1 163 . 1 . 1 38 38 GLY CA C 13 45.311 0.007 . 1 . . . . . 209 GLY CA . 51033 1 164 . 1 . 1 38 38 GLY N N 15 108.049 0.061 . 1 . . . . . 209 GLY N . 51033 1 165 . 1 . 1 39 39 PHE H H 1 8.026 0.001 . 1 . . . . . 210 PHE H . 51033 1 166 . 1 . 1 39 39 PHE C C 13 175.987 0.004 . 1 . . . . . 210 PHE C . 51033 1 167 . 1 . 1 39 39 PHE CA C 13 58.057 0.054 . 1 . . . . . 210 PHE CA . 51033 1 168 . 1 . 1 39 39 PHE CB C 13 39.415 0.013 . 1 . . . . . 210 PHE CB . 51033 1 169 . 1 . 1 39 39 PHE N N 15 120.230 0.043 . 1 . . . . . 210 PHE N . 51033 1 170 . 1 . 1 40 40 LEU H H 1 8.234 0.002 . 1 . . . . . 211 LEU H . 51033 1 171 . 1 . 1 40 40 LEU C C 13 177.545 0.013 . 1 . . . . . 211 LEU C . 51033 1 172 . 1 . 1 40 40 LEU CA C 13 55.171 0.021 . 1 . . . . . 211 LEU CA . 51033 1 173 . 1 . 1 40 40 LEU CB C 13 42.185 0.028 . 1 . . . . . 211 LEU CB . 51033 1 174 . 1 . 1 40 40 LEU N N 15 123.880 0.064 . 1 . . . . . 211 LEU N . 51033 1 175 . 1 . 1 41 41 GLY H H 1 7.877 0.001 . 1 . . . . . 212 GLY H . 51033 1 176 . 1 . 1 41 41 GLY C C 13 173.616 0.011 . 1 . . . . . 212 GLY C . 51033 1 177 . 1 . 1 41 41 GLY CA C 13 45.147 0.000 . 1 . . . . . 212 GLY CA . 51033 1 178 . 1 . 1 41 41 GLY N N 15 108.723 0.067 . 1 . . . . . 212 GLY N . 51033 1 179 . 1 . 1 42 42 GLN H H 1 8.167 0.002 . 1 . . . . . 213 GLN H . 51033 1 180 . 1 . 1 42 42 GLN C C 13 174.049 0.000 . 1 . . . . . 213 GLN C . 51033 1 181 . 1 . 1 42 42 GLN CA C 13 53.474 0.008 . 1 . . . . . 213 GLN CA . 51033 1 182 . 1 . 1 42 42 GLN CB C 13 28.954 0.000 . 1 . . . . . 213 GLN CB . 51033 1 183 . 1 . 1 42 42 GLN N N 15 120.438 0.065 . 1 . . . . . 213 GLN N . 51033 1 184 . 1 . 1 43 43 PRO C C 13 177.165 0.000 . 1 . . . . . 214 PRO C . 51033 1 185 . 1 . 1 43 43 PRO CA C 13 63.271 0.000 . 1 . . . . . 214 PRO CA . 51033 1 186 . 1 . 1 43 43 PRO CB C 13 32.301 0.000 . 1 . . . . . 214 PRO CB . 51033 1 187 . 1 . 1 44 44 GLY H H 1 8.371 0.002 . 1 . . . . . 215 GLY H . 51033 1 188 . 1 . 1 44 44 GLY C C 13 171.912 0.000 . 1 . . . . . 215 GLY C . 51033 1 189 . 1 . 1 44 44 GLY CA C 13 44.525 0.000 . 1 . . . . . 215 GLY CA . 51033 1 190 . 1 . 1 44 44 GLY N N 15 109.259 0.072 . 1 . . . . . 215 GLY N . 51033 1 191 . 1 . 1 45 45 PRO C C 13 177.229 0.000 . 1 . . . . . 216 PRO C . 51033 1 192 . 1 . 1 45 45 PRO CA C 13 63.051 0.000 . 1 . . . . . 216 PRO CA . 51033 1 193 . 1 . 1 45 45 PRO CB C 13 32.152 0.000 . 1 . . . . . 216 PRO CB . 51033 1 194 . 1 . 1 46 46 SER H H 1 8.477 0.002 . 1 . . . . . 217 SER H . 51033 1 195 . 1 . 1 46 46 SER C C 13 174.320 0.000 . 1 . . . . . 217 SER C . 51033 1 196 . 1 . 1 46 46 SER CA C 13 58.326 0.000 . 1 . . . . . 217 SER CA . 51033 1 197 . 1 . 1 46 46 SER CB C 13 63.825 0.000 . 1 . . . . . 217 SER CB . 51033 1 198 . 1 . 1 46 46 SER N N 15 115.723 0.029 . 1 . . . . . 217 SER N . 51033 1 199 . 1 . 1 47 47 PHE H H 1 8.315 0.002 . 1 . . . . . 218 PHE H . 51033 1 200 . 1 . 1 47 47 PHE HA H 1 4.661 0.000 . 1 . . . . . 218 PHE HA . 51033 1 201 . 1 . 1 47 47 PHE CA C 13 57.945 0.024 . 1 . . . . . 218 PHE CA . 51033 1 202 . 1 . 1 47 47 PHE CB C 13 39.624 0.000 . 1 . . . . . 218 PHE CB . 51033 1 203 . 1 . 1 47 47 PHE N N 15 122.437 0.057 . 1 . . . . . 218 PHE N . 51033 1 204 . 1 . 1 48 48 SER H H 1 8.372 0.001 . 1 . . . . . 219 SER H . 51033 1 205 . 1 . 1 48 48 SER C C 13 174.858 0.000 . 1 . . . . . 219 SER C . 51033 1 206 . 1 . 1 48 48 SER CA C 13 58.516 0.000 . 1 . . . . . 219 SER CA . 51033 1 207 . 1 . 1 48 48 SER CB C 13 63.853 0.013 . 1 . . . . . 219 SER CB . 51033 1 208 . 1 . 1 48 48 SER N N 15 118.085 0.049 . 1 . . . . . 219 SER N . 51033 1 209 . 1 . 1 49 49 GLY H H 1 7.932 0.002 . 1 . . . . . 220 GLY H . 51033 1 210 . 1 . 1 49 49 GLY C C 13 173.773 0.004 . 1 . . . . . 220 GLY C . 51033 1 211 . 1 . 1 49 49 GLY CA C 13 45.260 0.003 . 1 . . . . . 220 GLY CA . 51033 1 212 . 1 . 1 49 49 GLY N N 15 110.736 0.033 . 1 . . . . . 220 GLY N . 51033 1 213 . 1 . 1 50 50 ALA H H 1 8.174 0.002 . 1 . . . . . 221 ALA H . 51033 1 214 . 1 . 1 50 50 ALA HA H 1 4.307 0.000 . 1 . . . . . 221 ALA HA . 51033 1 215 . 1 . 1 50 50 ALA C C 13 177.941 0.000 . 1 . . . . . 221 ALA C . 51033 1 216 . 1 . 1 50 50 ALA CA C 13 52.617 0.001 . 1 . . . . . 221 ALA CA . 51033 1 217 . 1 . 1 50 50 ALA CB C 13 19.257 0.000 . 1 . . . . . 221 ALA CB . 51033 1 218 . 1 . 1 50 50 ALA N N 15 123.711 0.015 . 1 . . . . . 221 ALA N . 51033 1 219 . 1 . 1 51 51 ARG H H 1 8.403 0.004 . 1 . . . . . 222 ARG H . 51033 1 220 . 1 . 1 51 51 ARG HA H 1 4.287 0.000 . 1 . . . . . 222 ARG HA . 51033 1 221 . 1 . 1 51 51 ARG CA C 13 56.149 0.049 . 1 . . . . . 222 ARG CA . 51033 1 222 . 1 . 1 51 51 ARG CB C 13 30.701 0.000 . 1 . . . . . 222 ARG CB . 51033 1 223 . 1 . 1 51 51 ARG N N 15 120.390 0.014 . 1 . . . . . 222 ARG N . 51033 1 224 . 1 . 1 52 52 GLN H H 1 8.499 0.005 . 1 . . . . . 223 GLN H . 51033 1 225 . 1 . 1 52 52 GLN N N 15 121.652 0.019 . 1 . . . . . 223 GLN N . 51033 1 226 . 1 . 1 55 55 ASP H H 1 8.385 0.000 . 1 . . . . . 226 ASP H . 51033 1 227 . 1 . 1 55 55 ASP CA C 13 54.328 0.000 . 1 . . . . . 226 ASP CA . 51033 1 228 . 1 . 1 55 55 ASP CB C 13 41.253 0.000 . 1 . . . . . 226 ASP CB . 51033 1 229 . 1 . 1 55 55 ASP N N 15 121.326 0.000 . 1 . . . . . 226 ASP N . 51033 1 230 . 1 . 1 56 56 LEU H H 1 8.242 0.004 . 1 . . . . . 227 LEU H . 51033 1 231 . 1 . 1 56 56 LEU C C 13 177.183 0.000 . 1 . . . . . 227 LEU C . 51033 1 232 . 1 . 1 56 56 LEU CA C 13 55.055 0.000 . 1 . . . . . 227 LEU CA . 51033 1 233 . 1 . 1 56 56 LEU CB C 13 42.209 0.000 . 1 . . . . . 227 LEU CB . 51033 1 234 . 1 . 1 56 56 LEU N N 15 122.445 0.037 . 1 . . . . . 227 LEU N . 51033 1 235 . 1 . 1 57 57 LYS H H 1 8.339 0.001 . 1 . . . . . 228 LYS H . 51033 1 236 . 1 . 1 57 57 LYS HA H 1 4.565 0.001 . 1 . . . . . 228 LYS HA . 51033 1 237 . 1 . 1 57 57 LYS C C 13 174.310 0.000 . 1 . . . . . 228 LYS C . 51033 1 238 . 1 . 1 57 57 LYS CA C 13 54.216 0.026 . 1 . . . . . 228 LYS CA . 51033 1 239 . 1 . 1 57 57 LYS CB C 13 32.260 0.000 . 1 . . . . . 228 LYS CB . 51033 1 240 . 1 . 1 57 57 LYS N N 15 123.698 0.055 . 1 . . . . . 228 LYS N . 51033 1 241 . 1 . 1 58 58 PRO HA H 1 4.416 0.001 . 1 . . . . . 229 PRO HA . 51033 1 242 . 1 . 1 58 58 PRO CA C 13 62.704 0.000 . 1 . . . . . 229 PRO CA . 51033 1 243 . 1 . 1 58 58 PRO N N 15 136.978 0.004 . 1 . . . . . 229 PRO N . 51033 1 244 . 1 . 1 59 59 VAL H H 1 8.374 0.000 . 1 . . . . . 230 VAL H . 51033 1 245 . 1 . 1 59 59 VAL HA H 1 4.002 0.000 . 1 . . . . . 230 VAL HA . 51033 1 246 . 1 . 1 59 59 VAL C C 13 175.957 0.000 . 1 . . . . . 230 VAL C . 51033 1 247 . 1 . 1 59 59 VAL CA C 13 62.298 0.010 . 1 . . . . . 230 VAL CA . 51033 1 248 . 1 . 1 59 59 VAL CB C 13 32.903 0.000 . 1 . . . . . 230 VAL CB . 51033 1 249 . 1 . 1 59 59 VAL N N 15 121.586 0.028 . 1 . . . . . 230 VAL N . 51033 1 250 . 1 . 1 60 60 LEU H H 1 8.378 0.002 . 1 . . . . . 231 LEU H . 51033 1 251 . 1 . 1 60 60 LEU C C 13 176.593 0.000 . 1 . . . . . 231 LEU C . 51033 1 252 . 1 . 1 60 60 LEU CA C 13 54.681 0.000 . 1 . . . . . 231 LEU CA . 51033 1 253 . 1 . 1 60 60 LEU CB C 13 42.491 0.000 . 1 . . . . . 231 LEU CB . 51033 1 254 . 1 . 1 60 60 LEU N N 15 126.680 0.031 . 1 . . . . . 231 LEU N . 51033 1 255 . 1 . 1 61 61 HIS H H 1 8.339 0.002 . 1 . . . . . 232 HIS H . 51033 1 256 . 1 . 1 61 61 HIS CA C 13 55.777 0.000 . 1 . . . . . 232 HIS CA . 51033 1 257 . 1 . 1 61 61 HIS CB C 13 30.847 0.000 . 1 . . . . . 232 HIS CB . 51033 1 258 . 1 . 1 61 61 HIS N N 15 120.956 0.034 . 1 . . . . . 232 HIS N . 51033 1 259 . 1 . 1 63 63 PRO C C 13 177.161 0.000 . 1 . . . . . 234 PRO C . 51033 1 260 . 1 . 1 63 63 PRO CA C 13 63.224 0.000 . 1 . . . . . 234 PRO CA . 51033 1 261 . 1 . 1 63 63 PRO CB C 13 32.155 0.000 . 1 . . . . . 234 PRO CB . 51033 1 262 . 1 . 1 64 64 THR H H 1 8.536 0.002 . 1 . . . . . 235 THR H . 51033 1 263 . 1 . 1 64 64 THR C C 13 174.768 0.000 . 1 . . . . . 235 THR C . 51033 1 264 . 1 . 1 64 64 THR CA C 13 62.007 0.000 . 1 . . . . . 235 THR CA . 51033 1 265 . 1 . 1 64 64 THR CB C 13 69.801 0.000 . 1 . . . . . 235 THR CB . 51033 1 266 . 1 . 1 64 64 THR N N 15 114.842 0.066 . 1 . . . . . 235 THR N . 51033 1 267 . 1 . 1 65 65 THR H H 1 8.203 0.002 . 1 . . . . . 236 THR H . 51033 1 268 . 1 . 1 65 65 THR C C 13 173.825 0.001 . 1 . . . . . 236 THR C . 51033 1 269 . 1 . 1 65 65 THR CA C 13 61.737 0.000 . 1 . . . . . 236 THR CA . 51033 1 270 . 1 . 1 65 65 THR CB C 13 69.890 0.000 . 1 . . . . . 236 THR CB . 51033 1 271 . 1 . 1 65 65 THR N N 15 116.698 0.019 . 1 . . . . . 236 THR N . 51033 1 272 . 1 . 1 66 66 ALA H H 1 8.417 0.003 . 1 . . . . . 237 ALA H . 51033 1 273 . 1 . 1 66 66 ALA C C 13 175.393 0.000 . 1 . . . . . 237 ALA C . 51033 1 274 . 1 . 1 66 66 ALA CA C 13 50.624 0.000 . 1 . . . . . 237 ALA CA . 51033 1 275 . 1 . 1 66 66 ALA CB C 13 18.132 0.000 . 1 . . . . . 237 ALA CB . 51033 1 276 . 1 . 1 66 66 ALA N N 15 128.424 0.019 . 1 . . . . . 237 ALA N . 51033 1 277 . 1 . 1 67 67 PRO C C 13 176.944 0.000 . 1 . . . . . 238 PRO C . 51033 1 278 . 1 . 1 68 68 VAL H H 1 8.328 0.002 . 1 . . . . . 239 VAL H . 51033 1 279 . 1 . 1 68 68 VAL C C 13 175.844 0.000 . 1 . . . . . 239 VAL C . 51033 1 280 . 1 . 1 68 68 VAL CA C 13 62.224 0.000 . 1 . . . . . 239 VAL CA . 51033 1 281 . 1 . 1 68 68 VAL CB C 13 32.899 0.000 . 1 . . . . . 239 VAL CB . 51033 1 282 . 1 . 1 68 68 VAL N N 15 120.378 0.015 . 1 . . . . . 239 VAL N . 51033 1 283 . 1 . 1 69 69 ASP H H 1 8.448 0.004 . 1 . . . . . 240 ASP H . 51033 1 284 . 1 . 1 69 69 ASP C C 13 176.071 0.000 . 1 . . . . . 240 ASP C . 51033 1 285 . 1 . 1 69 69 ASP CA C 13 54.235 0.000 . 1 . . . . . 240 ASP CA . 51033 1 286 . 1 . 1 69 69 ASP CB C 13 41.289 0.008 . 1 . . . . . 240 ASP CB . 51033 1 287 . 1 . 1 69 69 ASP N N 15 124.047 0.021 . 1 . . . . . 240 ASP N . 51033 1 288 . 1 . 1 70 70 ASN H H 1 8.564 0.002 . 1 . . . . . 241 ASN H . 51033 1 289 . 1 . 1 70 70 ASN C C 13 175.603 0.006 . 1 . . . . . 241 ASN C . 51033 1 290 . 1 . 1 70 70 ASN CA C 13 53.338 0.005 . 1 . . . . . 241 ASN CA . 51033 1 291 . 1 . 1 70 70 ASN CB C 13 38.733 0.057 . 1 . . . . . 241 ASN CB . 51033 1 292 . 1 . 1 70 70 ASN N N 15 120.693 0.025 . 1 . . . . . 241 ASN N . 51033 1 293 . 1 . 1 71 71 THR H H 1 8.287 0.001 . 1 . . . . . 242 THR H . 51033 1 294 . 1 . 1 71 71 THR C C 13 174.237 0.017 . 1 . . . . . 242 THR C . 51033 1 295 . 1 . 1 71 71 THR CA C 13 62.913 0.000 . 1 . . . . . 242 THR CA . 51033 1 296 . 1 . 1 71 71 THR CB C 13 69.675 0.000 . 1 . . . . . 242 THR CB . 51033 1 297 . 1 . 1 71 71 THR N N 15 114.470 0.048 . 1 . . . . . 242 THR N . 51033 1 298 . 1 . 1 72 72 TYR H H 1 8.166 0.001 . 1 . . . . . 243 TYR H . 51033 1 299 . 1 . 1 72 72 TYR C C 13 175.056 0.004 . 1 . . . . . 243 TYR C . 51033 1 300 . 1 . 1 72 72 TYR CA C 13 57.820 0.016 . 1 . . . . . 243 TYR CA . 51033 1 301 . 1 . 1 72 72 TYR CB C 13 38.676 0.019 . 1 . . . . . 243 TYR CB . 51033 1 302 . 1 . 1 72 72 TYR N N 15 122.553 0.032 . 1 . . . . . 243 TYR N . 51033 1 303 . 1 . 1 73 73 LEU H H 1 8.065 0.002 . 1 . . . . . 244 LEU H . 51033 1 304 . 1 . 1 73 73 LEU C C 13 174.773 0.000 . 1 . . . . . 244 LEU C . 51033 1 305 . 1 . 1 73 73 LEU CA C 13 52.684 0.000 . 1 . . . . . 244 LEU CA . 51033 1 306 . 1 . 1 73 73 LEU CB C 13 42.146 0.000 . 1 . . . . . 244 LEU CB . 51033 1 307 . 1 . 1 73 73 LEU N N 15 126.222 0.026 . 1 . . . . . 244 LEU N . 51033 1 308 . 1 . 1 74 74 PRO C C 13 177.252 0.000 . 1 . . . . . 245 PRO C . 51033 1 309 . 1 . 1 74 74 PRO CA C 13 63.304 0.000 . 1 . . . . . 245 PRO CA . 51033 1 310 . 1 . 1 74 74 PRO CB C 13 32.073 0.000 . 1 . . . . . 245 PRO CB . 51033 1 311 . 1 . 1 75 75 THR H H 1 8.111 0.002 . 1 . . . . . 246 THR H . 51033 1 312 . 1 . 1 75 75 THR HA H 1 4.222 0.000 . 1 . . . . . 246 THR HA . 51033 1 313 . 1 . 1 75 75 THR C C 13 174.761 0.012 . 1 . . . . . 246 THR C . 51033 1 314 . 1 . 1 75 75 THR CA C 13 62.263 0.025 . 1 . . . . . 246 THR CA . 51033 1 315 . 1 . 1 75 75 THR CB C 13 69.609 0.024 . 1 . . . . . 246 THR CB . 51033 1 316 . 1 . 1 75 75 THR N N 15 113.586 0.032 . 1 . . . . . 246 THR N . 51033 1 317 . 1 . 1 76 76 GLN H H 1 8.354 0.002 . 1 . . . . . 247 GLN H . 51033 1 318 . 1 . 1 76 76 GLN HA H 1 4.505 0.000 . 1 . . . . . 247 GLN HA . 51033 1 319 . 1 . 1 76 76 GLN C C 13 175.619 0.002 . 1 . . . . . 247 GLN C . 51033 1 320 . 1 . 1 76 76 GLN CA C 13 56.122 0.000 . 1 . . . . . 247 GLN CA . 51033 1 321 . 1 . 1 76 76 GLN CB C 13 29.729 0.000 . 1 . . . . . 247 GLN CB . 51033 1 322 . 1 . 1 76 76 GLN N N 15 122.572 0.059 . 1 . . . . . 247 GLN N . 51033 1 323 . 1 . 1 77 77 ALA H H 1 8.338 0.003 . 1 . . . . . 248 ALA H . 51033 1 324 . 1 . 1 77 77 ALA HA H 1 4.243 0.000 . 1 . . . . . 248 ALA HA . 51033 1 325 . 1 . 1 77 77 ALA C C 13 177.614 0.000 . 1 . . . . . 248 ALA C . 51033 1 326 . 1 . 1 77 77 ALA CA C 13 52.641 0.019 . 1 . . . . . 248 ALA CA . 51033 1 327 . 1 . 1 77 77 ALA CB C 13 19.187 0.001 . 1 . . . . . 248 ALA CB . 51033 1 328 . 1 . 1 77 77 ALA N N 15 125.201 0.055 . 1 . . . . . 248 ALA N . 51033 1 329 . 1 . 1 78 78 LEU H H 1 8.195 0.001 . 1 . . . . . 249 LEU H . 51033 1 330 . 1 . 1 78 78 LEU HA H 1 4.486 0.001 . 1 . . . . . 249 LEU HA . 51033 1 331 . 1 . 1 78 78 LEU CA C 13 54.464 0.016 . 1 . . . . . 249 LEU CA . 51033 1 332 . 1 . 1 78 78 LEU N N 15 120.895 0.028 . 1 . . . . . 249 LEU N . 51033 1 333 . 1 . 1 79 79 ASN HA H 1 4.274 0.000 . 1 . . . . . 250 ASN HA . 51033 1 334 . 1 . 1 79 79 ASN CA C 13 52.918 0.008 . 1 . . . . . 250 ASN CA . 51033 1 335 . 1 . 1 79 79 ASN N N 15 122.012 0.033 . 1 . . . . . 250 ASN N . 51033 1 336 . 1 . 1 80 80 PHE N N 15 118.070 0.000 . 1 . . . . . 251 PHE N . 51033 1 337 . 1 . 1 87 87 ASN H H 1 8.193 0.000 . 1 . . . . . 258 ASN H . 51033 1 338 . 1 . 1 87 87 ASN HA H 1 4.714 0.003 . 1 . . . . . 258 ASN HA . 51033 1 339 . 1 . 1 87 87 ASN CA C 13 53.162 0.009 . 1 . . . . . 258 ASN CA . 51033 1 340 . 1 . 1 87 87 ASN N N 15 120.850 0.046 . 1 . . . . . 258 ASN N . 51033 1 341 . 1 . 1 88 88 SER H H 1 8.506 0.001 . 1 . . . . . 259 SER H . 51033 1 342 . 1 . 1 88 88 SER HA H 1 4.411 0.000 . 1 . . . . . 259 SER HA . 51033 1 343 . 1 . 1 88 88 SER C C 13 175.136 0.000 . 1 . . . . . 259 SER C . 51033 1 344 . 1 . 1 88 88 SER CA C 13 58.906 0.011 . 1 . . . . . 259 SER CA . 51033 1 345 . 1 . 1 88 88 SER CB C 13 63.923 0.000 . 1 . . . . . 259 SER CB . 51033 1 346 . 1 . 1 88 88 SER N N 15 116.780 0.010 . 1 . . . . . 259 SER N . 51033 1 347 . 1 . 1 89 89 GLY H H 1 8.544 0.004 . 1 . . . . . 260 GLY H . 51033 1 348 . 1 . 1 89 89 GLY CA C 13 45.434 0.000 . 1 . . . . . 260 GLY CA . 51033 1 349 . 1 . 1 89 89 GLY N N 15 110.877 0.059 . 1 . . . . . 260 GLY N . 51033 1 350 . 1 . 1 90 90 SER H H 1 8.218 0.003 . 1 . . . . . 261 SER H . 51033 1 351 . 1 . 1 90 90 SER CA C 13 58.480 0.000 . 1 . . . . . 261 SER CA . 51033 1 352 . 1 . 1 90 90 SER CB C 13 63.885 0.000 . 1 . . . . . 261 SER CB . 51033 1 353 . 1 . 1 90 90 SER N N 15 115.567 0.009 . 1 . . . . . 261 SER N . 51033 1 354 . 1 . 1 91 91 ASP H H 1 8.368 0.000 . 1 . . . . . 262 ASP H . 51033 1 355 . 1 . 1 91 91 ASP N N 15 122.003 0.006 . 1 . . . . . 262 ASP N . 51033 1 356 . 1 . 1 92 92 PHE H H 1 8.222 0.002 . 1 . . . . . 263 PHE H . 51033 1 357 . 1 . 1 92 92 PHE C C 13 176.254 0.000 . 1 . . . . . 263 PHE C . 51033 1 358 . 1 . 1 92 92 PHE CA C 13 58.022 0.037 . 1 . . . . . 263 PHE CA . 51033 1 359 . 1 . 1 92 92 PHE CB C 13 39.342 0.026 . 1 . . . . . 263 PHE CB . 51033 1 360 . 1 . 1 92 92 PHE N N 15 120.474 0.071 . 1 . . . . . 263 PHE N . 51033 1 361 . 1 . 1 93 93 GLY H H 1 8.305 0.002 . 1 . . . . . 264 GLY H . 51033 1 362 . 1 . 1 93 93 GLY C C 13 174.008 0.000 . 1 . . . . . 264 GLY C . 51033 1 363 . 1 . 1 93 93 GLY CA C 13 45.288 0.013 . 1 . . . . . 264 GLY CA . 51033 1 364 . 1 . 1 93 93 GLY N N 15 109.808 0.051 . 1 . . . . . 264 GLY N . 51033 1 365 . 1 . 1 94 94 TYR H H 1 8.105 0.001 . 1 . . . . . 265 TYR H . 51033 1 366 . 1 . 1 94 94 TYR C C 13 176.670 0.005 . 1 . . . . . 265 TYR C . 51033 1 367 . 1 . 1 94 94 TYR CA C 13 58.259 0.033 . 1 . . . . . 265 TYR CA . 51033 1 368 . 1 . 1 94 94 TYR CB C 13 38.629 0.008 . 1 . . . . . 265 TYR CB . 51033 1 369 . 1 . 1 94 94 TYR N N 15 120.034 0.065 . 1 . . . . . 265 TYR N . 51033 1 370 . 1 . 1 95 95 GLY H H 1 8.472 0.002 . 1 . . . . . 266 GLY H . 51033 1 371 . 1 . 1 95 95 GLY C C 13 174.092 0.001 . 1 . . . . . 266 GLY C . 51033 1 372 . 1 . 1 95 95 GLY CA C 13 45.251 0.018 . 1 . . . . . 266 GLY CA . 51033 1 373 . 1 . 1 95 95 GLY N N 15 110.845 0.055 . 1 . . . . . 266 GLY N . 51033 1 374 . 1 . 1 96 96 ALA H H 1 8.277 0.002 . 1 . . . . . 267 ALA H . 51033 1 375 . 1 . 1 96 96 ALA C C 13 178.499 0.002 . 1 . . . . . 267 ALA C . 51033 1 376 . 1 . 1 96 96 ALA CA C 13 52.841 0.003 . 1 . . . . . 267 ALA CA . 51033 1 377 . 1 . 1 96 96 ALA CB C 13 19.174 0.014 . 1 . . . . . 267 ALA CB . 51033 1 378 . 1 . 1 96 96 ALA N N 15 124.055 0.046 . 1 . . . . . 267 ALA N . 51033 1 379 . 1 . 1 97 97 GLY H H 1 8.518 0.002 . 1 . . . . . 268 GLY H . 51033 1 380 . 1 . 1 97 97 GLY C C 13 174.505 0.000 . 1 . . . . . 268 GLY C . 51033 1 381 . 1 . 1 97 97 GLY CA C 13 45.336 0.028 . 1 . . . . . 268 GLY CA . 51033 1 382 . 1 . 1 97 97 GLY N N 15 108.510 0.052 . 1 . . . . . 268 GLY N . 51033 1 383 . 1 . 1 98 98 SER H H 1 8.279 0.002 . 1 . . . . . 269 SER H . 51033 1 384 . 1 . 1 98 98 SER C C 13 175.236 0.000 . 1 . . . . . 269 SER C . 51033 1 385 . 1 . 1 98 98 SER CA C 13 58.635 0.036 . 1 . . . . . 269 SER CA . 51033 1 386 . 1 . 1 98 98 SER CB C 13 63.956 0.010 . 1 . . . . . 269 SER CB . 51033 1 387 . 1 . 1 98 98 SER N N 15 115.609 0.046 . 1 . . . . . 269 SER N . 51033 1 388 . 1 . 1 99 99 GLY H H 1 8.563 0.003 . 1 . . . . . 270 GLY H . 51033 1 389 . 1 . 1 99 99 GLY C C 13 174.051 0.000 . 1 . . . . . 270 GLY C . 51033 1 390 . 1 . 1 99 99 GLY CA C 13 45.430 0.018 . 1 . . . . . 270 GLY CA . 51033 1 391 . 1 . 1 99 99 GLY N N 15 110.818 0.063 . 1 . . . . . 270 GLY N . 51033 1 392 . 1 . 1 100 100 ASN H H 1 8.349 0.001 . 1 . . . . . 271 ASN H . 51033 1 393 . 1 . 1 100 100 ASN CA C 13 53.266 0.025 . 1 . . . . . 271 ASN CA . 51033 1 394 . 1 . 1 100 100 ASN CB C 13 38.829 0.002 . 1 . . . . . 271 ASN CB . 51033 1 395 . 1 . 1 100 100 ASN N N 15 118.566 0.040 . 1 . . . . . 271 ASN N . 51033 1 396 . 1 . 1 101 101 ASN H H 1 8.512 0.002 . 1 . . . . . 272 ASN H . 51033 1 397 . 1 . 1 101 101 ASN C C 13 175.104 0.000 . 1 . . . . . 272 ASN C . 51033 1 398 . 1 . 1 101 101 ASN CA C 13 53.374 0.000 . 1 . . . . . 272 ASN CA . 51033 1 399 . 1 . 1 101 101 ASN CB C 13 38.649 0.000 . 1 . . . . . 272 ASN CB . 51033 1 400 . 1 . 1 101 101 ASN N N 15 119.038 0.082 . 1 . . . . . 272 ASN N . 51033 1 401 . 1 . 1 102 102 ASN H H 1 8.429 0.002 . 1 . . . . . 273 ASN H . 51033 1 402 . 1 . 1 102 102 ASN C C 13 175.518 0.000 . 1 . . . . . 273 ASN C . 51033 1 403 . 1 . 1 102 102 ASN CA C 13 53.602 0.000 . 1 . . . . . 273 ASN CA . 51033 1 404 . 1 . 1 102 102 ASN CB C 13 38.635 0.000 . 1 . . . . . 273 ASN CB . 51033 1 405 . 1 . 1 102 102 ASN N N 15 118.818 0.058 . 1 . . . . . 273 ASN N . 51033 1 406 . 1 . 1 103 103 LYS H H 1 8.354 0.002 . 1 . . . . . 274 LYS H . 51033 1 407 . 1 . 1 103 103 LYS C C 13 177.187 0.007 . 1 . . . . . 274 LYS C . 51033 1 408 . 1 . 1 103 103 LYS CA C 13 56.844 0.029 . 1 . . . . . 274 LYS CA . 51033 1 409 . 1 . 1 103 103 LYS CB C 13 32.628 0.000 . 1 . . . . . 274 LYS CB . 51033 1 410 . 1 . 1 103 103 LYS N N 15 121.273 0.066 . 1 . . . . . 274 LYS N . 51033 1 411 . 1 . 1 104 104 GLY H H 1 8.459 0.003 . 1 . . . . . 275 GLY H . 51033 1 412 . 1 . 1 104 104 GLY C C 13 174.022 0.000 . 1 . . . . . 275 GLY C . 51033 1 413 . 1 . 1 104 104 GLY CA C 13 45.321 0.007 . 1 . . . . . 275 GLY CA . 51033 1 414 . 1 . 1 104 104 GLY N N 15 109.354 0.058 . 1 . . . . . 275 GLY N . 51033 1 415 . 1 . 1 105 105 MET H H 1 8.142 0.001 . 1 . . . . . 276 MET H . 51033 1 416 . 1 . 1 105 105 MET C C 13 176.146 0.001 . 1 . . . . . 276 MET C . 51033 1 417 . 1 . 1 105 105 MET CA C 13 55.496 0.025 . 1 . . . . . 276 MET CA . 51033 1 418 . 1 . 1 105 105 MET CB C 13 32.962 0.048 . 1 . . . . . 276 MET CB . 51033 1 419 . 1 . 1 105 105 MET N N 15 119.851 0.045 . 1 . . . . . 276 MET N . 51033 1 420 . 1 . 1 106 106 ILE H H 1 8.231 0.002 . 1 . . . . . 277 ILE H . 51033 1 421 . 1 . 1 106 106 ILE C C 13 175.872 0.000 . 1 . . . . . 277 ILE C . 51033 1 422 . 1 . 1 106 106 ILE CA C 13 60.993 0.018 . 1 . . . . . 277 ILE CA . 51033 1 423 . 1 . 1 106 106 ILE CB C 13 38.754 0.078 . 1 . . . . . 277 ILE CB . 51033 1 424 . 1 . 1 106 106 ILE N N 15 122.921 0.055 . 1 . . . . . 277 ILE N . 51033 1 425 . 1 . 1 107 107 LYS H H 1 8.499 0.004 . 1 . . . . . 278 LYS H . 51033 1 426 . 1 . 1 107 107 LYS C C 13 176.158 0.000 . 1 . . . . . 278 LYS C . 51033 1 427 . 1 . 1 107 107 LYS CA C 13 56.034 0.051 . 1 . . . . . 278 LYS CA . 51033 1 428 . 1 . 1 107 107 LYS CB C 13 33.062 0.016 . 1 . . . . . 278 LYS CB . 51033 1 429 . 1 . 1 107 107 LYS N N 15 126.628 0.064 . 1 . . . . . 278 LYS N . 51033 1 430 . 1 . 1 108 108 LEU H H 1 8.434 0.003 . 1 . . . . . 279 LEU H . 51033 1 431 . 1 . 1 108 108 LEU C C 13 177.305 0.000 . 1 . . . . . 279 LEU C . 51033 1 432 . 1 . 1 108 108 LEU CA C 13 55.049 0.057 . 1 . . . . . 279 LEU CA . 51033 1 433 . 1 . 1 108 108 LEU CB C 13 42.412 0.019 . 1 . . . . . 279 LEU CB . 51033 1 434 . 1 . 1 108 108 LEU N N 15 125.195 0.081 . 1 . . . . . 279 LEU N . 51033 1 435 . 1 . 1 109 109 GLU H H 1 8.541 0.001 . 1 . . . . . 280 GLU H . 51033 1 436 . 1 . 1 109 109 GLU CB C 13 30.229 0.015 . 1 . . . . . 280 GLU CB . 51033 1 437 . 1 . 1 109 109 GLU N N 15 122.060 0.055 . 1 . . . . . 280 GLU N . 51033 1 438 . 1 . 1 110 110 HIS H H 1 8.384 0.002 . 1 . . . . . 281 HIS H . 51033 1 439 . 1 . 1 110 110 HIS CA C 13 56.110 0.065 . 1 . . . . . 281 HIS CA . 51033 1 440 . 1 . 1 110 110 HIS CB C 13 30.671 0.011 . 1 . . . . . 281 HIS CB . 51033 1 441 . 1 . 1 110 110 HIS N N 15 120.270 0.060 . 1 . . . . . 281 HIS N . 51033 1 442 . 1 . 1 111 111 SER H H 1 8.355 0.002 . 1 . . . . . 282 SER H . 51033 1 443 . 1 . 1 111 111 SER CA C 13 58.378 0.000 . 1 . . . . . 282 SER CA . 51033 1 444 . 1 . 1 111 111 SER CB C 13 63.856 0.004 . 1 . . . . . 282 SER CB . 51033 1 445 . 1 . 1 111 111 SER N N 15 117.014 0.115 . 1 . . . . . 282 SER N . 51033 1 446 . 1 . 1 112 112 LEU H H 1 8.461 0.003 . 1 . . . . . 283 LEU H . 51033 1 447 . 1 . 1 112 112 LEU CA C 13 55.245 0.000 . 1 . . . . . 283 LEU CA . 51033 1 448 . 1 . 1 112 112 LEU CB C 13 42.345 0.000 . 1 . . . . . 283 LEU CB . 51033 1 449 . 1 . 1 112 112 LEU N N 15 124.347 0.027 . 1 . . . . . 283 LEU N . 51033 1 450 . 1 . 1 113 113 VAL H H 1 8.137 0.002 . 1 . . . . . 284 VAL H . 51033 1 451 . 1 . 1 113 113 VAL CA C 13 62.255 0.000 . 1 . . . . . 284 VAL CA . 51033 1 452 . 1 . 1 113 113 VAL CB C 13 32.829 0.000 . 1 . . . . . 284 VAL CB . 51033 1 453 . 1 . 1 113 113 VAL N N 15 120.898 0.017 . 1 . . . . . 284 VAL N . 51033 1 454 . 1 . 1 114 114 SER H H 1 8.456 0.000 . 1 . . . . . 285 SER H . 51033 1 455 . 1 . 1 114 114 SER CA C 13 58.226 0.000 . 1 . . . . . 285 SER CA . 51033 1 456 . 1 . 1 114 114 SER CB C 13 63.891 0.000 . 1 . . . . . 285 SER CB . 51033 1 457 . 1 . 1 114 114 SER N N 15 120.209 0.007 . 1 . . . . . 285 SER N . 51033 1 458 . 1 . 1 115 115 VAL H H 1 8.310 0.002 . 1 . . . . . 286 VAL H . 51033 1 459 . 1 . 1 115 115 VAL CA C 13 62.165 0.000 . 1 . . . . . 286 VAL CA . 51033 1 460 . 1 . 1 115 115 VAL CB C 13 32.847 0.000 . 1 . . . . . 286 VAL CB . 51033 1 461 . 1 . 1 115 115 VAL N N 15 122.156 0.021 . 1 . . . . . 286 VAL N . 51033 1 462 . 1 . 1 116 116 SER H H 1 8.460 0.001 . 1 . . . . . 287 SER H . 51033 1 463 . 1 . 1 116 116 SER C C 13 174.784 0.000 . 1 . . . . . 287 SER C . 51033 1 464 . 1 . 1 116 116 SER CA C 13 58.305 0.021 . 1 . . . . . 287 SER CA . 51033 1 465 . 1 . 1 116 116 SER CB C 13 63.787 0.016 . 1 . . . . . 287 SER CB . 51033 1 466 . 1 . 1 116 116 SER N N 15 119.582 0.178 . 1 . . . . . 287 SER N . 51033 1 467 . 1 . 1 117 117 GLN H H 1 8.608 0.002 . 1 . . . . . 288 GLN H . 51033 1 468 . 1 . 1 117 117 GLN HA H 1 4.353 0.002 . 1 . . . . . 288 GLN HA . 51033 1 469 . 1 . 1 117 117 GLN C C 13 176.087 0.000 . 1 . . . . . 288 GLN C . 51033 1 470 . 1 . 1 117 117 GLN CA C 13 55.996 0.078 . 1 . . . . . 288 GLN CA . 51033 1 471 . 1 . 1 117 117 GLN CB C 13 29.486 0.024 . 1 . . . . . 288 GLN CB . 51033 1 472 . 1 . 1 117 117 GLN N N 15 123.022 0.047 . 1 . . . . . 288 GLN N . 51033 1 473 . 1 . 1 118 118 GLU H H 1 8.539 0.001 . 1 . . . . . 289 GLU H . 51033 1 474 . 1 . 1 118 118 GLU HA H 1 4.346 0.000 . 1 . . . . . 289 GLU HA . 51033 1 475 . 1 . 1 118 118 GLU C C 13 176.944 0.004 . 1 . . . . . 289 GLU C . 51033 1 476 . 1 . 1 118 118 GLU CA C 13 56.825 0.041 . 1 . . . . . 289 GLU CA . 51033 1 477 . 1 . 1 118 118 GLU CB C 13 29.892 0.000 . 1 . . . . . 289 GLU CB . 51033 1 478 . 1 . 1 118 118 GLU N N 15 122.042 0.069 . 1 . . . . . 289 GLU N . 51033 1 479 . 1 . 1 119 119 THR H H 1 8.314 0.001 . 1 . . . . . 290 THR H . 51033 1 480 . 1 . 1 119 119 THR C C 13 175.335 0.001 . 1 . . . . . 290 THR C . 51033 1 481 . 1 . 1 119 119 THR CA C 13 62.118 0.029 . 1 . . . . . 290 THR CA . 51033 1 482 . 1 . 1 119 119 THR CB C 13 69.940 0.026 . 1 . . . . . 290 THR CB . 51033 1 483 . 1 . 1 119 119 THR N N 15 114.541 0.067 . 1 . . . . . 290 THR N . 51033 1 484 . 1 . 1 120 120 GLY H H 1 8.511 0.002 . 1 . . . . . 291 GLY H . 51033 1 485 . 1 . 1 120 120 GLY C C 13 174.081 0.001 . 1 . . . . . 291 GLY C . 51033 1 486 . 1 . 1 120 120 GLY CA C 13 45.373 0.000 . 1 . . . . . 291 GLY CA . 51033 1 487 . 1 . 1 120 120 GLY N N 15 111.249 0.059 . 1 . . . . . 291 GLY N . 51033 1 488 . 1 . 1 121 121 LEU H H 1 8.195 0.002 . 1 . . . . . 292 LEU H . 51033 1 489 . 1 . 1 121 121 LEU HA H 1 3.972 0.000 . 1 . . . . . 292 LEU HA . 51033 1 490 . 1 . 1 121 121 LEU C C 13 177.776 0.000 . 1 . . . . . 292 LEU C . 51033 1 491 . 1 . 1 121 121 LEU CB C 13 42.562 0.005 . 1 . . . . . 292 LEU CB . 51033 1 492 . 1 . 1 121 121 LEU N N 15 121.579 0.015 . 1 . . . . . 292 LEU N . 51033 1 493 . 1 . 1 122 122 SER H H 1 8.514 0.002 . 1 . . . . . 293 SER H . 51033 1 494 . 1 . 1 122 122 SER C C 13 174.740 0.003 . 1 . . . . . 293 SER C . 51033 1 495 . 1 . 1 122 122 SER CA C 13 58.340 0.043 . 1 . . . . . 293 SER CA . 51033 1 496 . 1 . 1 122 122 SER CB C 13 63.808 0.005 . 1 . . . . . 293 SER CB . 51033 1 497 . 1 . 1 122 122 SER N N 15 117.123 0.054 . 1 . . . . . 293 SER N . 51033 1 498 . 1 . 1 123 123 SER H H 1 8.430 0.002 . 1 . . . . . 294 SER H . 51033 1 499 . 1 . 1 123 123 SER C C 13 174.233 0.001 . 1 . . . . . 294 SER C . 51033 1 500 . 1 . 1 123 123 SER CB C 13 63.856 0.000 . 1 . . . . . 294 SER CB . 51033 1 501 . 1 . 1 123 123 SER N N 15 117.776 0.051 . 1 . . . . . 294 SER N . 51033 1 502 . 1 . 1 124 124 ASP H H 1 8.405 0.001 . 1 . . . . . 295 ASP H . 51033 1 503 . 1 . 1 124 124 ASP C C 13 176.401 0.002 . 1 . . . . . 295 ASP C . 51033 1 504 . 1 . 1 124 124 ASP CA C 13 54.530 0.000 . 1 . . . . . 295 ASP CA . 51033 1 505 . 1 . 1 124 124 ASP CB C 13 41.137 0.000 . 1 . . . . . 295 ASP CB . 51033 1 506 . 1 . 1 124 124 ASP N N 15 122.667 0.019 . 1 . . . . . 295 ASP N . 51033 1 507 . 1 . 1 125 125 VAL H H 1 8.106 0.002 . 1 . . . . . 296 VAL H . 51033 1 508 . 1 . 1 125 125 VAL C C 13 175.991 0.000 . 1 . . . . . 296 VAL C . 51033 1 509 . 1 . 1 125 125 VAL CA C 13 62.470 0.000 . 1 . . . . . 296 VAL CA . 51033 1 510 . 1 . 1 125 125 VAL CB C 13 32.584 0.000 . 1 . . . . . 296 VAL CB . 51033 1 511 . 1 . 1 125 125 VAL N N 15 119.995 0.020 . 1 . . . . . 296 VAL N . 51033 1 512 . 1 . 1 126 126 ASN H H 1 8.604 0.002 . 1 . . . . . 297 ASN H . 51033 1 513 . 1 . 1 126 126 ASN C C 13 175.598 0.010 . 1 . . . . . 297 ASN C . 51033 1 514 . 1 . 1 126 126 ASN CA C 13 53.319 0.022 . 1 . . . . . 297 ASN CA . 51033 1 515 . 1 . 1 126 126 ASN CB C 13 38.956 0.009 . 1 . . . . . 297 ASN CB . 51033 1 516 . 1 . 1 126 126 ASN N N 15 122.116 0.052 . 1 . . . . . 297 ASN N . 51033 1 517 . 1 . 1 127 127 THR H H 1 8.251 0.002 . 1 . . . . . 298 THR H . 51033 1 518 . 1 . 1 127 127 THR C C 13 174.756 0.004 . 1 . . . . . 298 THR C . 51033 1 519 . 1 . 1 127 127 THR CA C 13 62.074 0.000 . 1 . . . . . 298 THR CA . 51033 1 520 . 1 . 1 127 127 THR CB C 13 69.647 0.000 . 1 . . . . . 298 THR CB . 51033 1 521 . 1 . 1 127 127 THR N N 15 115.133 0.053 . 1 . . . . . 298 THR N . 51033 1 522 . 1 . 1 128 128 THR H H 1 8.240 0.002 . 1 . . . . . 299 THR H . 51033 1 523 . 1 . 1 128 128 THR HA H 1 4.342 0.000 . 1 . . . . . 299 THR HA . 51033 1 524 . 1 . 1 128 128 THR C C 13 174.113 0.000 . 1 . . . . . 299 THR C . 51033 1 525 . 1 . 1 128 128 THR CA C 13 61.985 0.009 . 1 . . . . . 299 THR CA . 51033 1 526 . 1 . 1 128 128 THR CB C 13 69.787 0.000 . 1 . . . . . 299 THR CB . 51033 1 527 . 1 . 1 128 128 THR N N 15 116.868 0.046 . 1 . . . . . 299 THR N . 51033 1 528 . 1 . 1 129 129 ALA H H 1 8.406 0.002 . 1 . . . . . 300 ALA H . 51033 1 529 . 1 . 1 129 129 ALA HA H 1 4.369 0.019 . 1 . . . . . 300 ALA HA . 51033 1 530 . 1 . 1 129 129 ALA C C 13 177.534 0.000 . 1 . . . . . 300 ALA C . 51033 1 531 . 1 . 1 129 129 ALA CA C 13 52.407 0.023 . 1 . . . . . 300 ALA CA . 51033 1 532 . 1 . 1 129 129 ALA CB C 13 19.357 0.000 . 1 . . . . . 300 ALA CB . 51033 1 533 . 1 . 1 129 129 ALA N N 15 127.250 0.024 . 1 . . . . . 300 ALA N . 51033 1 534 . 1 . 1 130 130 THR H H 1 8.347 0.001 . 1 . . . . . 301 THR H . 51033 1 535 . 1 . 1 130 130 THR C C 13 172.946 0.000 . 1 . . . . . 301 THR C . 51033 1 536 . 1 . 1 130 130 THR CA C 13 59.708 0.000 . 1 . . . . . 301 THR CA . 51033 1 537 . 1 . 1 130 130 THR CB C 13 69.715 0.000 . 1 . . . . . 301 THR CB . 51033 1 538 . 1 . 1 130 130 THR N N 15 116.813 0.035 . 1 . . . . . 301 THR N . 51033 1 539 . 1 . 1 131 131 PRO CA C 13 63.256 0.000 . 1 . . . . . 302 PRO CA . 51033 1 540 . 1 . 1 131 131 PRO CB C 13 32.186 0.000 . 1 . . . . . 302 PRO CB . 51033 1 541 . 1 . 1 132 132 GLU H H 1 8.639 0.001 . 1 . . . . . 303 GLU H . 51033 1 542 . 1 . 1 132 132 GLU CA C 13 56.621 0.000 . 1 . . . . . 303 GLU CA . 51033 1 543 . 1 . 1 132 132 GLU CB C 13 30.251 0.000 . 1 . . . . . 303 GLU CB . 51033 1 544 . 1 . 1 132 132 GLU N N 15 121.787 0.022 . 1 . . . . . 303 GLU N . 51033 1 545 . 1 . 1 133 133 ILE H H 1 8.339 0.001 . 1 . . . . . 304 ILE H . 51033 1 546 . 1 . 1 133 133 ILE C C 13 176.315 0.000 . 1 . . . . . 304 ILE C . 51033 1 547 . 1 . 1 133 133 ILE CA C 13 61.080 0.000 . 1 . . . . . 304 ILE CA . 51033 1 548 . 1 . 1 133 133 ILE CB C 13 38.680 0.000 . 1 . . . . . 304 ILE CB . 51033 1 549 . 1 . 1 133 133 ILE N N 15 122.662 0.031 . 1 . . . . . 304 ILE N . 51033 1 550 . 1 . 1 134 134 SER H H 1 8.471 0.002 . 1 . . . . . 305 SER H . 51033 1 551 . 1 . 1 134 134 SER CA C 13 58.190 0.000 . 1 . . . . . 305 SER CA . 51033 1 552 . 1 . 1 134 134 SER CB C 13 63.903 0.000 . 1 . . . . . 305 SER CB . 51033 1 553 . 1 . 1 134 134 SER N N 15 120.106 0.066 . 1 . . . . . 305 SER N . 51033 1 554 . 1 . 1 135 135 SER H H 1 8.286 0.003 . 1 . . . . . 306 SER H . 51033 1 555 . 1 . 1 135 135 SER C C 13 173.506 0.000 . 1 . . . . . 306 SER C . 51033 1 556 . 1 . 1 135 135 SER CA C 13 58.314 0.000 . 1 . . . . . 306 SER CA . 51033 1 557 . 1 . 1 135 135 SER CB C 13 63.941 0.000 . 1 . . . . . 306 SER CB . 51033 1 558 . 1 . 1 135 135 SER N N 15 117.983 0.017 . 1 . . . . . 306 SER N . 51033 1 559 . 1 . 1 136 136 TYR H H 1 8.205 0.001 . 1 . . . . . 307 TYR H . 51033 1 560 . 1 . 1 136 136 TYR HA H 1 4.812 0.000 . 1 . . . . . 307 TYR HA . 51033 1 561 . 1 . 1 136 136 TYR C C 13 173.895 0.000 . 1 . . . . . 307 TYR C . 51033 1 562 . 1 . 1 136 136 TYR CA C 13 56.125 0.039 . 1 . . . . . 307 TYR CA . 51033 1 563 . 1 . 1 136 136 TYR CB C 13 38.186 0.000 . 1 . . . . . 307 TYR CB . 51033 1 564 . 1 . 1 136 136 TYR N N 15 122.789 0.021 . 1 . . . . . 307 TYR N . 51033 1 565 . 1 . 1 137 137 PRO HA H 1 4.413 0.001 . 1 . . . . . 308 PRO HA . 51033 1 566 . 1 . 1 137 137 PRO CA C 13 63.200 0.077 . 1 . . . . . 308 PRO CA . 51033 1 567 . 1 . 1 137 137 PRO N N 15 137.074 0.016 . 1 . . . . . 308 PRO N . 51033 1 568 . 1 . 1 138 138 MET N N 15 121.581 0.000 . 1 . . . . . 309 MET N . 51033 1 569 . 1 . 1 140 140 MET C C 13 175.432 0.000 . 1 . . . . . 311 MET C . 51033 1 570 . 1 . 1 140 140 MET CA C 13 55.245 0.000 . 1 . . . . . 311 MET CA . 51033 1 571 . 1 . 1 140 140 MET CB C 13 32.637 0.000 . 1 . . . . . 311 MET CB . 51033 1 572 . 1 . 1 141 141 ASN H H 1 8.456 0.004 . 1 . . . . . 312 ASN H . 51033 1 573 . 1 . 1 141 141 ASN C C 13 173.762 0.000 . 1 . . . . . 312 ASN C . 51033 1 574 . 1 . 1 141 141 ASN CA C 13 51.179 0.000 . 1 . . . . . 312 ASN CA . 51033 1 575 . 1 . 1 141 141 ASN CB C 13 38.890 0.000 . 1 . . . . . 312 ASN CB . 51033 1 576 . 1 . 1 141 141 ASN N N 15 121.159 0.042 . 1 . . . . . 312 ASN N . 51033 1 577 . 1 . 1 143 143 ALA H H 1 8.240 0.001 . 1 . . . . . 314 ALA H . 51033 1 578 . 1 . 1 143 143 ALA C C 13 178.172 0.002 . 1 . . . . . 314 ALA C . 51033 1 579 . 1 . 1 143 143 ALA N N 15 122.044 0.028 . 1 . . . . . 314 ALA N . 51033 1 580 . 1 . 1 144 144 MET H H 1 8.123 0.004 . 1 . . . . . 315 MET H . 51033 1 581 . 1 . 1 144 144 MET C C 13 176.500 0.000 . 1 . . . . . 315 MET C . 51033 1 582 . 1 . 1 144 144 MET N N 15 118.116 0.030 . 1 . . . . . 315 MET N . 51033 1 583 . 1 . 1 145 145 MET H H 1 8.201 0.002 . 1 . . . . . 316 MET H . 51033 1 584 . 1 . 1 145 145 MET C C 13 176.923 0.000 . 1 . . . . . 316 MET C . 51033 1 585 . 1 . 1 145 145 MET N N 15 120.891 0.014 . 1 . . . . . 316 MET N . 51033 1 586 . 1 . 1 146 146 ASP H H 1 8.375 0.000 . 1 . . . . . 317 ASP H . 51033 1 587 . 1 . 1 146 146 ASP C C 13 176.970 0.000 . 1 . . . . . 317 ASP C . 51033 1 588 . 1 . 1 146 146 ASP CA C 13 54.383 0.000 . 1 . . . . . 317 ASP CA . 51033 1 589 . 1 . 1 146 146 ASP CB C 13 41.083 0.010 . 1 . . . . . 317 ASP CB . 51033 1 590 . 1 . 1 146 146 ASP N N 15 121.475 0.040 . 1 . . . . . 317 ASP N . 51033 1 591 . 1 . 1 147 147 GLY H H 1 8.507 0.003 . 1 . . . . . 318 GLY H . 51033 1 592 . 1 . 1 147 147 GLY C C 13 174.688 0.000 . 1 . . . . . 318 GLY C . 51033 1 593 . 1 . 1 147 147 GLY CA C 13 45.567 0.053 . 1 . . . . . 318 GLY CA . 51033 1 594 . 1 . 1 147 147 GLY N N 15 110.364 0.056 . 1 . . . . . 318 GLY N . 51033 1 595 . 1 . 1 148 148 SER H H 1 8.335 0.002 . 1 . . . . . 319 SER H . 51033 1 596 . 1 . 1 148 148 SER CA C 13 58.972 0.042 . 1 . . . . . 319 SER CA . 51033 1 597 . 1 . 1 148 148 SER CB C 13 63.833 0.032 . 1 . . . . . 319 SER CB . 51033 1 598 . 1 . 1 148 148 SER N N 15 116.206 0.095 . 1 . . . . . 319 SER N . 51033 1 599 . 1 . 1 149 149 LYS H H 1 8.348 0.001 . 1 . . . . . 320 LYS H . 51033 1 600 . 1 . 1 149 149 LYS CA C 13 56.311 0.006 . 1 . . . . . 320 LYS CA . 51033 1 601 . 1 . 1 149 149 LYS CB C 13 33.060 0.046 . 1 . . . . . 320 LYS CB . 51033 1 602 . 1 . 1 149 149 LYS N N 15 122.912 0.059 . 1 . . . . . 320 LYS N . 51033 1 603 . 1 . 1 150 150 SER H H 1 8.418 0.003 . 1 . . . . . 321 SER H . 51033 1 604 . 1 . 1 150 150 SER CA C 13 58.351 0.013 . 1 . . . . . 321 SER CA . 51033 1 605 . 1 . 1 150 150 SER CB C 13 63.926 0.024 . 1 . . . . . 321 SER CB . 51033 1 606 . 1 . 1 150 150 SER N N 15 117.204 0.066 . 1 . . . . . 321 SER N . 51033 1 607 . 1 . 1 151 151 ALA H H 1 8.507 0.003 . 1 . . . . . 322 ALA H . 51033 1 608 . 1 . 1 151 151 ALA HA H 1 4.355 0.001 . 1 . . . . . 322 ALA HA . 51033 1 609 . 1 . 1 151 151 ALA CA C 13 52.870 0.015 . 1 . . . . . 322 ALA CA . 51033 1 610 . 1 . 1 151 151 ALA CB C 13 19.250 0.011 . 1 . . . . . 322 ALA CB . 51033 1 611 . 1 . 1 151 151 ALA N N 15 126.205 0.063 . 1 . . . . . 322 ALA N . 51033 1 612 . 1 . 1 152 152 CYS H H 1 8.398 0.002 . 1 . . . . . 323 CYS H . 51033 1 613 . 1 . 1 152 152 CYS HA H 1 4.508 0.000 . 1 . . . . . 323 CYS HA . 51033 1 614 . 1 . 1 152 152 CYS C C 13 174.465 0.000 . 1 . . . . . 323 CYS C . 51033 1 615 . 1 . 1 152 152 CYS CA C 13 58.442 0.033 . 1 . . . . . 323 CYS CA . 51033 1 616 . 1 . 1 152 152 CYS CB C 13 28.093 0.005 . 1 . . . . . 323 CYS CB . 51033 1 617 . 1 . 1 152 152 CYS N N 15 117.890 0.057 . 1 . . . . . 323 CYS N . 51033 1 618 . 1 . 1 153 153 ASP H H 1 8.394 0.003 . 1 . . . . . 324 ASP H . 51033 1 619 . 1 . 1 153 153 ASP C C 13 176.700 0.000 . 1 . . . . . 324 ASP C . 51033 1 620 . 1 . 1 153 153 ASP CA C 13 54.543 0.000 . 1 . . . . . 324 ASP CA . 51033 1 621 . 1 . 1 153 153 ASP CB C 13 41.171 0.000 . 1 . . . . . 324 ASP CB . 51033 1 622 . 1 . 1 153 153 ASP N N 15 122.660 0.010 . 1 . . . . . 324 ASP N . 51033 1 623 . 1 . 1 154 154 GLY H H 1 8.446 0.003 . 1 . . . . . 325 GLY H . 51033 1 624 . 1 . 1 154 154 GLY C C 13 174.484 0.000 . 1 . . . . . 325 GLY C . 51033 1 625 . 1 . 1 154 154 GLY CA C 13 45.454 0.000 . 1 . . . . . 325 GLY CA . 51033 1 626 . 1 . 1 154 154 GLY N N 15 109.403 0.019 . 1 . . . . . 325 GLY N . 51033 1 627 . 1 . 1 155 155 LEU H H 1 8.157 0.003 . 1 . . . . . 326 LEU H . 51033 1 628 . 1 . 1 155 155 LEU C C 13 177.472 0.000 . 1 . . . . . 326 LEU C . 51033 1 629 . 1 . 1 155 155 LEU CA C 13 55.316 0.064 . 1 . . . . . 326 LEU CA . 51033 1 630 . 1 . 1 155 155 LEU CB C 13 42.166 0.000 . 1 . . . . . 326 LEU CB . 51033 1 631 . 1 . 1 155 155 LEU N N 15 121.429 0.053 . 1 . . . . . 326 LEU N . 51033 1 632 . 1 . 1 156 156 ASP H H 1 8.400 0.011 . 1 . . . . . 327 ASP H . 51033 1 633 . 1 . 1 156 156 ASP CA C 13 54.684 0.000 . 1 . . . . . 327 ASP CA . 51033 1 634 . 1 . 1 156 156 ASP CB C 13 41.159 0.000 . 1 . . . . . 327 ASP CB . 51033 1 635 . 1 . 1 156 156 ASP N N 15 120.362 0.065 . 1 . . . . . 327 ASP N . 51033 1 636 . 1 . 1 157 157 ASP H H 1 8.236 0.001 . 1 . . . . . 328 ASP H . 51033 1 637 . 1 . 1 157 157 ASP N N 15 120.247 0.024 . 1 . . . . . 328 ASP N . 51033 1 638 . 1 . 1 158 158 LEU H H 1 8.114 0.003 . 1 . . . . . 329 LEU H . 51033 1 639 . 1 . 1 158 158 LEU C C 13 177.169 0.001 . 1 . . . . . 329 LEU C . 51033 1 640 . 1 . 1 158 158 LEU CA C 13 55.487 0.018 . 1 . . . . . 329 LEU CA . 51033 1 641 . 1 . 1 158 158 LEU CB C 13 42.158 0.029 . 1 . . . . . 329 LEU CB . 51033 1 642 . 1 . 1 158 158 LEU N N 15 121.693 0.026 . 1 . . . . . 329 LEU N . 51033 1 643 . 1 . 1 159 159 ILE H H 1 7.978 0.002 . 1 . . . . . 330 ILE H . 51033 1 644 . 1 . 1 159 159 ILE HA H 1 4.004 0.000 . 1 . . . . . 330 ILE HA . 51033 1 645 . 1 . 1 159 159 ILE C C 13 175.743 0.001 . 1 . . . . . 330 ILE C . 51033 1 646 . 1 . 1 159 159 ILE CA C 13 61.078 0.024 . 1 . . . . . 330 ILE CA . 51033 1 647 . 1 . 1 159 159 ILE CB C 13 38.550 0.054 . 1 . . . . . 330 ILE CB . 51033 1 648 . 1 . 1 159 159 ILE N N 15 121.414 0.068 . 1 . . . . . 330 ILE N . 51033 1 649 . 1 . 1 160 160 PHE H H 1 8.243 0.003 . 1 . . . . . 331 PHE H . 51033 1 650 . 1 . 1 160 160 PHE C C 13 175.338 0.003 . 1 . . . . . 331 PHE C . 51033 1 651 . 1 . 1 160 160 PHE CA C 13 57.494 0.000 . 1 . . . . . 331 PHE CA . 51033 1 652 . 1 . 1 160 160 PHE CB C 13 39.519 0.000 . 1 . . . . . 331 PHE CB . 51033 1 653 . 1 . 1 160 160 PHE N N 15 124.420 0.062 . 1 . . . . . 331 PHE N . 51033 1 654 . 1 . 1 161 161 TRP H H 1 8.057 0.002 . 1 . . . . . 332 TRP H . 51033 1 655 . 1 . 1 161 161 TRP C C 13 175.856 0.000 . 1 . . . . . 332 TRP C . 51033 1 656 . 1 . 1 161 161 TRP CA C 13 57.632 0.028 . 1 . . . . . 332 TRP CA . 51033 1 657 . 1 . 1 161 161 TRP CB C 13 29.876 0.000 . 1 . . . . . 332 TRP CB . 51033 1 658 . 1 . 1 161 161 TRP N N 15 123.673 0.050 . 1 . . . . . 332 TRP N . 51033 1 659 . 1 . 1 162 162 GLU H H 1 8.100 0.003 . 1 . . . . . 333 GLU H . 51033 1 660 . 1 . 1 162 162 GLU CA C 13 56.782 0.000 . 1 . . . . . 333 GLU CA . 51033 1 661 . 1 . 1 162 162 GLU CB C 13 30.629 0.000 . 1 . . . . . 333 GLU CB . 51033 1 662 . 1 . 1 162 162 GLU N N 15 122.003 0.055 . 1 . . . . . 333 GLU N . 51033 1 663 . 1 . 1 163 163 ASP H H 1 8.228 0.001 . 1 . . . . . 334 ASP H . 51033 1 664 . 1 . 1 163 163 ASP C C 13 176.175 0.000 . 1 . . . . . 334 ASP C . 51033 1 665 . 1 . 1 163 163 ASP CA C 13 54.402 0.000 . 1 . . . . . 334 ASP CA . 51033 1 666 . 1 . 1 163 163 ASP CB C 13 41.062 0.000 . 1 . . . . . 334 ASP CB . 51033 1 667 . 1 . 1 163 163 ASP N N 15 120.957 0.043 . 1 . . . . . 334 ASP N . 51033 1 668 . 1 . 1 164 164 LEU H H 1 7.990 0.003 . 1 . . . . . 335 LEU H . 51033 1 669 . 1 . 1 164 164 LEU C C 13 177.281 0.000 . 1 . . . . . 335 LEU C . 51033 1 670 . 1 . 1 164 164 LEU CA C 13 55.297 0.000 . 1 . . . . . 335 LEU CA . 51033 1 671 . 1 . 1 164 164 LEU CB C 13 42.381 0.000 . 1 . . . . . 335 LEU CB . 51033 1 672 . 1 . 1 164 164 LEU N N 15 122.090 0.049 . 1 . . . . . 335 LEU N . 51033 1 673 . 1 . 1 165 165 TYR H H 1 8.214 0.004 . 1 . . . . . 336 TYR H . 51033 1 674 . 1 . 1 165 165 TYR C C 13 176.016 0.000 . 1 . . . . . 336 TYR C . 51033 1 675 . 1 . 1 165 165 TYR N N 15 120.167 0.034 . 1 . . . . . 336 TYR N . 51033 1 676 . 1 . 1 166 166 THR H H 1 8.006 0.002 . 1 . . . . . 337 THR H . 51033 1 677 . 1 . 1 166 166 THR C C 13 173.635 0.004 . 1 . . . . . 337 THR C . 51033 1 678 . 1 . 1 166 166 THR CA C 13 61.653 0.000 . 1 . . . . . 337 THR CA . 51033 1 679 . 1 . 1 166 166 THR CB C 13 70.024 0.000 . 1 . . . . . 337 THR CB . 51033 1 680 . 1 . 1 166 166 THR N N 15 115.656 0.065 . 1 . . . . . 337 THR N . 51033 1 681 . 1 . 1 167 167 SER H H 1 7.974 0.001 . 1 . . . . . 338 SER H . 51033 1 682 . 1 . 1 167 167 SER C C 13 178.519 0.000 . 1 . . . . . 338 SER C . 51033 1 683 . 1 . 1 167 167 SER CA C 13 60.124 0.000 . 1 . . . . . 338 SER CA . 51033 1 684 . 1 . 1 167 167 SER CB C 13 64.768 0.000 . 1 . . . . . 338 SER CB . 51033 1 685 . 1 . 1 167 167 SER N N 15 123.682 0.054 . 1 . . . . . 338 SER N . 51033 1 stop_ save_