data_28057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28057 _Entry.Title ; Backbone resonance assignments of a holo form of the solute binding protein PiuA from Streptococcus pneumoniae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-22 _Entry.Accession_date 2019-12-22 _Entry.Last_release_date 2019-12-23 _Entry.Original_release_date 2019-12-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Katherine Edmonds . A. . . 28057 2 Yifan Zhang . . . . 28057 3 David Giedroc . P. . . 28057 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 28057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 842 28057 '15N chemical shifts' 271 28057 '1H chemical shifts' 271 28057 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-06-12 . original BMRB . 28057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28056 'apo form of the solute binding protein PiuA' 28057 PDB 4JCC 'Crystal structure of a close homolog' 28057 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28057 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32495035 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone resonance assignments of the apo and holo forms of the solute binding protein PiuA from Streptococcus pneumoniae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 . _Citation.Page_last . _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Katherine Edmonds K. A. . . 28057 1 2 Yifan Zhang Y. . . . 28057 1 3 Daniel Raines D. J. . . 28057 1 4 Anne-K Duhme-Klair A. K. . . 28057 1 5 David Giedroc D. P. . . 28057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28057 _Assembly.ID 1 _Assembly.Name 'Ga(III) 4-LICAM PiuA' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 PiuA 1 $PiuA A . yes native no no . . . 28057 1 2 Ga(III) 2 $entity_GA A . no na no no . . . 28057 1 3 4-LICAM 3 $entity_LCM A . no na no no . . . 28057 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'iron uptake' 28057 1 'solute binding for ABC transporter' 28057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PiuA _Entity.Sf_category entity _Entity.Sf_framecode PiuA _Entity.Entry_ID 28057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PiuA _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 ; SHMSAPTEITIKSSLDEVKL SKVPEKIVTFDLGAADTIRA LGFEKNIVGMPTKTVPTYLK DLVGTVKNVGSMKEPDLEAI AALEPDLIIASPRTQKFVDK FKEIAPTVLFQASKDDYWTS TKANIESLASAFGETSTQKA KEELAKLDKSIQEVATKNES SDKKALAILLNEGKMAAFGA KSRFSFLYQTLKFKPTDTKF EDSRHGQEVSFESVKEINPD ILFVINRTLAIGGDNSSNDG VLENALIAETPAAKNGKIIQ LTPDLWYLSGGGLESTKLMI EDIQKALK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first 3 residues of this construct are a cloning artifact. Remaining residues are the soluble, extracellular domain, residues 37-321. ; _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 288 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Substrate binding protein of ABC transporter' 28057 1 'iron uptake' 28057 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 34 SER . 28057 1 2 35 HIS . 28057 1 3 36 MET . 28057 1 4 37 SER . 28057 1 5 38 ALA . 28057 1 6 39 PRO . 28057 1 7 40 THR . 28057 1 8 41 GLU . 28057 1 9 42 ILE . 28057 1 10 43 THR . 28057 1 11 44 ILE . 28057 1 12 45 LYS . 28057 1 13 46 SER . 28057 1 14 47 SER . 28057 1 15 48 LEU . 28057 1 16 49 ASP . 28057 1 17 50 GLU . 28057 1 18 51 VAL . 28057 1 19 52 LYS . 28057 1 20 53 LEU . 28057 1 21 54 SER . 28057 1 22 55 LYS . 28057 1 23 56 VAL . 28057 1 24 57 PRO . 28057 1 25 58 GLU . 28057 1 26 59 LYS . 28057 1 27 60 ILE . 28057 1 28 61 VAL . 28057 1 29 62 THR . 28057 1 30 63 PHE . 28057 1 31 64 ASP . 28057 1 32 65 LEU . 28057 1 33 66 GLY . 28057 1 34 67 ALA . 28057 1 35 68 ALA . 28057 1 36 69 ASP . 28057 1 37 70 THR . 28057 1 38 71 ILE . 28057 1 39 72 ARG . 28057 1 40 73 ALA . 28057 1 41 74 LEU . 28057 1 42 75 GLY . 28057 1 43 76 PHE . 28057 1 44 77 GLU . 28057 1 45 78 LYS . 28057 1 46 79 ASN . 28057 1 47 80 ILE . 28057 1 48 81 VAL . 28057 1 49 82 GLY . 28057 1 50 83 MET . 28057 1 51 84 PRO . 28057 1 52 85 THR . 28057 1 53 86 LYS . 28057 1 54 87 THR . 28057 1 55 88 VAL . 28057 1 56 89 PRO . 28057 1 57 90 THR . 28057 1 58 91 TYR . 28057 1 59 92 LEU . 28057 1 60 93 LYS . 28057 1 61 94 ASP . 28057 1 62 95 LEU . 28057 1 63 96 VAL . 28057 1 64 97 GLY . 28057 1 65 98 THR . 28057 1 66 99 VAL . 28057 1 67 100 LYS . 28057 1 68 101 ASN . 28057 1 69 102 VAL . 28057 1 70 103 GLY . 28057 1 71 104 SER . 28057 1 72 105 MET . 28057 1 73 106 LYS . 28057 1 74 107 GLU . 28057 1 75 108 PRO . 28057 1 76 109 ASP . 28057 1 77 110 LEU . 28057 1 78 111 GLU . 28057 1 79 112 ALA . 28057 1 80 113 ILE . 28057 1 81 114 ALA . 28057 1 82 115 ALA . 28057 1 83 116 LEU . 28057 1 84 117 GLU . 28057 1 85 118 PRO . 28057 1 86 119 ASP . 28057 1 87 120 LEU . 28057 1 88 121 ILE . 28057 1 89 122 ILE . 28057 1 90 123 ALA . 28057 1 91 124 SER . 28057 1 92 125 PRO . 28057 1 93 126 ARG . 28057 1 94 127 THR . 28057 1 95 128 GLN . 28057 1 96 129 LYS . 28057 1 97 130 PHE . 28057 1 98 131 VAL . 28057 1 99 132 ASP . 28057 1 100 133 LYS . 28057 1 101 134 PHE . 28057 1 102 135 LYS . 28057 1 103 136 GLU . 28057 1 104 137 ILE . 28057 1 105 138 ALA . 28057 1 106 139 PRO . 28057 1 107 140 THR . 28057 1 108 141 VAL . 28057 1 109 142 LEU . 28057 1 110 143 PHE . 28057 1 111 144 GLN . 28057 1 112 145 ALA . 28057 1 113 146 SER . 28057 1 114 147 LYS . 28057 1 115 148 ASP . 28057 1 116 149 ASP . 28057 1 117 150 TYR . 28057 1 118 151 TRP . 28057 1 119 152 THR . 28057 1 120 153 SER . 28057 1 121 154 THR . 28057 1 122 155 LYS . 28057 1 123 156 ALA . 28057 1 124 157 ASN . 28057 1 125 158 ILE . 28057 1 126 159 GLU . 28057 1 127 160 SER . 28057 1 128 161 LEU . 28057 1 129 162 ALA . 28057 1 130 163 SER . 28057 1 131 164 ALA . 28057 1 132 165 PHE . 28057 1 133 166 GLY . 28057 1 134 167 GLU . 28057 1 135 168 THR . 28057 1 136 169 SER . 28057 1 137 170 THR . 28057 1 138 171 GLN . 28057 1 139 172 LYS . 28057 1 140 173 ALA . 28057 1 141 174 LYS . 28057 1 142 175 GLU . 28057 1 143 176 GLU . 28057 1 144 177 LEU . 28057 1 145 178 ALA . 28057 1 146 179 LYS . 28057 1 147 180 LEU . 28057 1 148 181 ASP . 28057 1 149 182 LYS . 28057 1 150 183 SER . 28057 1 151 184 ILE . 28057 1 152 185 GLN . 28057 1 153 186 GLU . 28057 1 154 187 VAL . 28057 1 155 188 ALA . 28057 1 156 189 THR . 28057 1 157 190 LYS . 28057 1 158 191 ASN . 28057 1 159 192 GLU . 28057 1 160 193 SER . 28057 1 161 194 SER . 28057 1 162 195 ASP . 28057 1 163 196 LYS . 28057 1 164 197 LYS . 28057 1 165 198 ALA . 28057 1 166 199 LEU . 28057 1 167 200 ALA . 28057 1 168 201 ILE . 28057 1 169 202 LEU . 28057 1 170 203 LEU . 28057 1 171 204 ASN . 28057 1 172 205 GLU . 28057 1 173 206 GLY . 28057 1 174 207 LYS . 28057 1 175 208 MET . 28057 1 176 209 ALA . 28057 1 177 210 ALA . 28057 1 178 211 PHE . 28057 1 179 212 GLY . 28057 1 180 213 ALA . 28057 1 181 214 LYS . 28057 1 182 215 SER . 28057 1 183 216 ARG . 28057 1 184 217 PHE . 28057 1 185 218 SER . 28057 1 186 219 PHE . 28057 1 187 220 LEU . 28057 1 188 221 TYR . 28057 1 189 222 GLN . 28057 1 190 223 THR . 28057 1 191 224 LEU . 28057 1 192 225 LYS . 28057 1 193 226 PHE . 28057 1 194 227 LYS . 28057 1 195 228 PRO . 28057 1 196 229 THR . 28057 1 197 230 ASP . 28057 1 198 231 THR . 28057 1 199 232 LYS . 28057 1 200 233 PHE . 28057 1 201 234 GLU . 28057 1 202 235 ASP . 28057 1 203 236 SER . 28057 1 204 237 ARG . 28057 1 205 238 HIS . 28057 1 206 239 GLY . 28057 1 207 240 GLN . 28057 1 208 241 GLU . 28057 1 209 242 VAL . 28057 1 210 243 SER . 28057 1 211 244 PHE . 28057 1 212 245 GLU . 28057 1 213 246 SER . 28057 1 214 247 VAL . 28057 1 215 248 LYS . 28057 1 216 249 GLU . 28057 1 217 250 ILE . 28057 1 218 251 ASN . 28057 1 219 252 PRO . 28057 1 220 253 ASP . 28057 1 221 254 ILE . 28057 1 222 255 LEU . 28057 1 223 256 PHE . 28057 1 224 257 VAL . 28057 1 225 258 ILE . 28057 1 226 259 ASN . 28057 1 227 260 ARG . 28057 1 228 261 THR . 28057 1 229 262 LEU . 28057 1 230 263 ALA . 28057 1 231 264 ILE . 28057 1 232 265 GLY . 28057 1 233 266 GLY . 28057 1 234 267 ASP . 28057 1 235 268 ASN . 28057 1 236 269 SER . 28057 1 237 270 SER . 28057 1 238 271 ASN . 28057 1 239 272 ASP . 28057 1 240 273 GLY . 28057 1 241 274 VAL . 28057 1 242 275 LEU . 28057 1 243 276 GLU . 28057 1 244 277 ASN . 28057 1 245 278 ALA . 28057 1 246 279 LEU . 28057 1 247 280 ILE . 28057 1 248 281 ALA . 28057 1 249 282 GLU . 28057 1 250 283 THR . 28057 1 251 284 PRO . 28057 1 252 285 ALA . 28057 1 253 286 ALA . 28057 1 254 287 LYS . 28057 1 255 288 ASN . 28057 1 256 289 GLY . 28057 1 257 290 LYS . 28057 1 258 291 ILE . 28057 1 259 292 ILE . 28057 1 260 293 GLN . 28057 1 261 294 LEU . 28057 1 262 295 THR . 28057 1 263 296 PRO . 28057 1 264 297 ASP . 28057 1 265 298 LEU . 28057 1 266 299 TRP . 28057 1 267 300 TYR . 28057 1 268 301 LEU . 28057 1 269 302 SER . 28057 1 270 303 GLY . 28057 1 271 304 GLY . 28057 1 272 305 GLY . 28057 1 273 306 LEU . 28057 1 274 307 GLU . 28057 1 275 308 SER . 28057 1 276 309 THR . 28057 1 277 310 LYS . 28057 1 278 311 LEU . 28057 1 279 312 MET . 28057 1 280 313 ILE . 28057 1 281 314 GLU . 28057 1 282 315 ASP . 28057 1 283 316 ILE . 28057 1 284 317 GLN . 28057 1 285 318 LYS . 28057 1 286 319 ALA . 28057 1 287 320 LEU . 28057 1 288 321 LYS . 28057 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 . SER 1 1 28057 1 . HIS 2 2 28057 1 . MET 3 3 28057 1 . SER 4 4 28057 1 . ALA 5 5 28057 1 . PRO 6 6 28057 1 . THR 7 7 28057 1 . GLU 8 8 28057 1 . ILE 9 9 28057 1 . THR 10 10 28057 1 . ILE 11 11 28057 1 . LYS 12 12 28057 1 . SER 13 13 28057 1 . SER 14 14 28057 1 . LEU 15 15 28057 1 . ASP 16 16 28057 1 . GLU 17 17 28057 1 . VAL 18 18 28057 1 . LYS 19 19 28057 1 . LEU 20 20 28057 1 . SER 21 21 28057 1 . LYS 22 22 28057 1 . VAL 23 23 28057 1 . PRO 24 24 28057 1 . GLU 25 25 28057 1 . LYS 26 26 28057 1 . ILE 27 27 28057 1 . VAL 28 28 28057 1 . THR 29 29 28057 1 . PHE 30 30 28057 1 . ASP 31 31 28057 1 . LEU 32 32 28057 1 . GLY 33 33 28057 1 . ALA 34 34 28057 1 . ALA 35 35 28057 1 . ASP 36 36 28057 1 . THR 37 37 28057 1 . ILE 38 38 28057 1 . ARG 39 39 28057 1 . ALA 40 40 28057 1 . LEU 41 41 28057 1 . GLY 42 42 28057 1 . PHE 43 43 28057 1 . GLU 44 44 28057 1 . LYS 45 45 28057 1 . ASN 46 46 28057 1 . ILE 47 47 28057 1 . VAL 48 48 28057 1 . GLY 49 49 28057 1 . MET 50 50 28057 1 . PRO 51 51 28057 1 . THR 52 52 28057 1 . LYS 53 53 28057 1 . THR 54 54 28057 1 . VAL 55 55 28057 1 . PRO 56 56 28057 1 . THR 57 57 28057 1 . TYR 58 58 28057 1 . LEU 59 59 28057 1 . LYS 60 60 28057 1 . ASP 61 61 28057 1 . LEU 62 62 28057 1 . VAL 63 63 28057 1 . GLY 64 64 28057 1 . THR 65 65 28057 1 . VAL 66 66 28057 1 . LYS 67 67 28057 1 . ASN 68 68 28057 1 . VAL 69 69 28057 1 . GLY 70 70 28057 1 . SER 71 71 28057 1 . MET 72 72 28057 1 . LYS 73 73 28057 1 . GLU 74 74 28057 1 . PRO 75 75 28057 1 . ASP 76 76 28057 1 . LEU 77 77 28057 1 . GLU 78 78 28057 1 . ALA 79 79 28057 1 . ILE 80 80 28057 1 . ALA 81 81 28057 1 . ALA 82 82 28057 1 . LEU 83 83 28057 1 . GLU 84 84 28057 1 . PRO 85 85 28057 1 . ASP 86 86 28057 1 . LEU 87 87 28057 1 . ILE 88 88 28057 1 . ILE 89 89 28057 1 . ALA 90 90 28057 1 . SER 91 91 28057 1 . PRO 92 92 28057 1 . ARG 93 93 28057 1 . THR 94 94 28057 1 . GLN 95 95 28057 1 . LYS 96 96 28057 1 . PHE 97 97 28057 1 . VAL 98 98 28057 1 . ASP 99 99 28057 1 . LYS 100 100 28057 1 . PHE 101 101 28057 1 . LYS 102 102 28057 1 . GLU 103 103 28057 1 . ILE 104 104 28057 1 . ALA 105 105 28057 1 . PRO 106 106 28057 1 . THR 107 107 28057 1 . VAL 108 108 28057 1 . LEU 109 109 28057 1 . PHE 110 110 28057 1 . GLN 111 111 28057 1 . ALA 112 112 28057 1 . SER 113 113 28057 1 . LYS 114 114 28057 1 . ASP 115 115 28057 1 . ASP 116 116 28057 1 . TYR 117 117 28057 1 . TRP 118 118 28057 1 . THR 119 119 28057 1 . SER 120 120 28057 1 . THR 121 121 28057 1 . LYS 122 122 28057 1 . ALA 123 123 28057 1 . ASN 124 124 28057 1 . ILE 125 125 28057 1 . GLU 126 126 28057 1 . SER 127 127 28057 1 . LEU 128 128 28057 1 . ALA 129 129 28057 1 . SER 130 130 28057 1 . ALA 131 131 28057 1 . PHE 132 132 28057 1 . GLY 133 133 28057 1 . GLU 134 134 28057 1 . THR 135 135 28057 1 . SER 136 136 28057 1 . THR 137 137 28057 1 . GLN 138 138 28057 1 . LYS 139 139 28057 1 . ALA 140 140 28057 1 . LYS 141 141 28057 1 . GLU 142 142 28057 1 . GLU 143 143 28057 1 . LEU 144 144 28057 1 . ALA 145 145 28057 1 . LYS 146 146 28057 1 . LEU 147 147 28057 1 . ASP 148 148 28057 1 . LYS 149 149 28057 1 . SER 150 150 28057 1 . ILE 151 151 28057 1 . GLN 152 152 28057 1 . GLU 153 153 28057 1 . VAL 154 154 28057 1 . ALA 155 155 28057 1 . THR 156 156 28057 1 . LYS 157 157 28057 1 . ASN 158 158 28057 1 . GLU 159 159 28057 1 . SER 160 160 28057 1 . SER 161 161 28057 1 . ASP 162 162 28057 1 . LYS 163 163 28057 1 . LYS 164 164 28057 1 . ALA 165 165 28057 1 . LEU 166 166 28057 1 . ALA 167 167 28057 1 . ILE 168 168 28057 1 . LEU 169 169 28057 1 . LEU 170 170 28057 1 . ASN 171 171 28057 1 . GLU 172 172 28057 1 . GLY 173 173 28057 1 . LYS 174 174 28057 1 . MET 175 175 28057 1 . ALA 176 176 28057 1 . ALA 177 177 28057 1 . PHE 178 178 28057 1 . GLY 179 179 28057 1 . ALA 180 180 28057 1 . LYS 181 181 28057 1 . SER 182 182 28057 1 . ARG 183 183 28057 1 . PHE 184 184 28057 1 . SER 185 185 28057 1 . PHE 186 186 28057 1 . LEU 187 187 28057 1 . TYR 188 188 28057 1 . GLN 189 189 28057 1 . THR 190 190 28057 1 . LEU 191 191 28057 1 . LYS 192 192 28057 1 . PHE 193 193 28057 1 . LYS 194 194 28057 1 . PRO 195 195 28057 1 . THR 196 196 28057 1 . ASP 197 197 28057 1 . THR 198 198 28057 1 . LYS 199 199 28057 1 . PHE 200 200 28057 1 . GLU 201 201 28057 1 . ASP 202 202 28057 1 . SER 203 203 28057 1 . ARG 204 204 28057 1 . HIS 205 205 28057 1 . GLY 206 206 28057 1 . GLN 207 207 28057 1 . GLU 208 208 28057 1 . VAL 209 209 28057 1 . SER 210 210 28057 1 . PHE 211 211 28057 1 . GLU 212 212 28057 1 . SER 213 213 28057 1 . VAL 214 214 28057 1 . LYS 215 215 28057 1 . GLU 216 216 28057 1 . ILE 217 217 28057 1 . ASN 218 218 28057 1 . PRO 219 219 28057 1 . ASP 220 220 28057 1 . ILE 221 221 28057 1 . LEU 222 222 28057 1 . PHE 223 223 28057 1 . VAL 224 224 28057 1 . ILE 225 225 28057 1 . ASN 226 226 28057 1 . ARG 227 227 28057 1 . THR 228 228 28057 1 . LEU 229 229 28057 1 . ALA 230 230 28057 1 . ILE 231 231 28057 1 . GLY 232 232 28057 1 . GLY 233 233 28057 1 . ASP 234 234 28057 1 . ASN 235 235 28057 1 . SER 236 236 28057 1 . SER 237 237 28057 1 . ASN 238 238 28057 1 . ASP 239 239 28057 1 . GLY 240 240 28057 1 . VAL 241 241 28057 1 . LEU 242 242 28057 1 . GLU 243 243 28057 1 . ASN 244 244 28057 1 . ALA 245 245 28057 1 . LEU 246 246 28057 1 . ILE 247 247 28057 1 . ALA 248 248 28057 1 . GLU 249 249 28057 1 . THR 250 250 28057 1 . PRO 251 251 28057 1 . ALA 252 252 28057 1 . ALA 253 253 28057 1 . LYS 254 254 28057 1 . ASN 255 255 28057 1 . GLY 256 256 28057 1 . LYS 257 257 28057 1 . ILE 258 258 28057 1 . ILE 259 259 28057 1 . GLN 260 260 28057 1 . LEU 261 261 28057 1 . THR 262 262 28057 1 . PRO 263 263 28057 1 . ASP 264 264 28057 1 . LEU 265 265 28057 1 . TRP 266 266 28057 1 . TYR 267 267 28057 1 . LEU 268 268 28057 1 . SER 269 269 28057 1 . GLY 270 270 28057 1 . GLY 271 271 28057 1 . GLY 272 272 28057 1 . LEU 273 273 28057 1 . GLU 274 274 28057 1 . SER 275 275 28057 1 . THR 276 276 28057 1 . LYS 277 277 28057 1 . LEU 278 278 28057 1 . MET 279 279 28057 1 . ILE 280 280 28057 1 . GLU 281 281 28057 1 . ASP 282 282 28057 1 . ILE 283 283 28057 1 . GLN 284 284 28057 1 . LYS 285 285 28057 1 . ALA 286 286 28057 1 . LEU 287 287 28057 1 . LYS 288 288 28057 1 stop_ save_ save_entity_GA _Entity.Sf_category entity _Entity.Sf_framecode entity_GA _Entity.Entry_ID 28057 _Entity.ID 2 _Entity.BMRB_code GA _Entity.Name entity_GA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GA _Entity.Nonpolymer_comp_label $chem_comp_GA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 69.723 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GALLIUM (III) ION' BMRB 28057 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'GALLIUM (III) ION' BMRB 28057 2 GA 'Three letter code' 28057 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GA $chem_comp_GA 28057 2 stop_ save_ save_entity_LCM _Entity.Sf_category entity _Entity.Sf_framecode entity_LCM _Entity.Entry_ID 28057 _Entity.ID 3 _Entity.BMRB_code LCM _Entity.Name entity_LCM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID LCM _Entity.Nonpolymer_comp_label $chem_comp_LCM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 360.361 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) BMRB 28057 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) BMRB 28057 3 LCM 'Three letter code' 28057 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LCM $chem_comp_LCM 28057 3 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 28057 _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 $PiuA . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . spd_1652 . 28057 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 28057 _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 $PiuA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pSUMO . . . 28057 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GA _Chem_comp.Entry_ID 28057 _Chem_comp.ID GA _Chem_comp.Provenance PDB _Chem_comp.Name 'GALLIUM (III) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GA _Chem_comp.PDB_code GA _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 . _Chem_comp.Three_letter_code GA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ga/q+3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 3 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ga _Chem_comp.Formula_weight 69.723 _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 . _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 CKHJYUSOUQDYEN-UHFFFAOYSA-N InChIKey InChI 1.03 28057 GA InChI=1S/Ga/q+3 InChI InChI 1.03 28057 GA [Ga+3] SMILES ACDLabs 10.04 28057 GA [Ga+3] SMILES CACTVS 3.341 28057 GA [Ga+3] SMILES 'OpenEye OEToolkits' 1.5.0 28057 GA [Ga+3] SMILES_CANONICAL CACTVS 3.341 28057 GA [Ga+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 28057 GA 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 gallium 'SYSTEMATIC NAME' ACDLabs 10.04 28057 GA 'gallium(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 28057 GA 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 GA GA GA GA . GA . . N 3 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 28057 GA stop_ save_ save_chem_comp_LCM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LCM _Chem_comp.Entry_ID 28057 _Chem_comp.ID LCM _Chem_comp.Provenance PDB _Chem_comp.Name N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code LCM _Chem_comp.PDB_code LCM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2013-03-30 _Chem_comp.Modified_date 2013-03-30 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code LCM _Chem_comp.Number_atoms_all 46 _Chem_comp.Number_atoms_nh 26 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26) ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 4-LICAM _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C18 H20 N2 O6' _Chem_comp.Formula_weight 360.361 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3ZK3 _Chem_comp.Processing_site EBI _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 FBRVRHJYPWFVCL-UHFFFAOYSA-N InChIKey InChI 1.03 28057 LCM ; InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26) ; InChI InChI 1.03 28057 LCM O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O SMILES ACDLabs 12.01 28057 LCM Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O SMILES CACTVS 3.370 28057 LCM Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O SMILES_CANONICAL CACTVS 3.370 28057 LCM c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O SMILES 'OpenEye OEToolkits' 1.7.6 28057 LCM c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 28057 LCM 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 N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide) 'SYSTEMATIC NAME' ACDLabs 12.01 28057 LCM N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-2,3-bis(oxidanyl)benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 28057 LCM 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 C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . -9.424 . 7.321 . 2.851 . -7.949 1.536 0.004 1 . 28057 LCM C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . -9.392 . 7.107 . 1.468 . -7.953 0.152 0.017 2 . 28057 LCM C3 C3 C3 C3 . C . . N 0 . . . 1 yes no . . . . -10.474 . 7.571 . 0.604 . -6.751 -0.549 0.020 3 . 28057 LCM C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . -11.599 . 8.254 . 1.257 . -5.540 0.154 0.011 4 . 28057 LCM C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . -11.573 . 8.436 . 2.637 . -5.552 1.552 -0.002 5 . 28057 LCM C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . -10.509 . 7.971 . 3.408 . -6.750 2.231 -0.005 6 . 28057 LCM C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -12.675 . 8.859 . 0.430 . -4.258 -0.576 0.015 7 . 28057 LCM N8 N8 N8 N8 . N . . N 0 . . . 1 no no . . . . -12.285 . 9.078 . -0.835 . -3.095 0.104 0.006 8 . 28057 LCM O9 O9 O9 O9 . O . . N 0 . . . 1 no no . . . . -13.646 . 9.366 . 0.974 . -4.252 -1.792 0.026 9 . 28057 LCM C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -12.644 . 10.201 . -1.661 . -1.822 -0.622 0.010 10 . 28057 LCM C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -11.663 . 11.288 . -1.189 . -0.665 0.379 -0.002 11 . 28057 LCM C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -11.039 . 12.079 . -2.313 . 0.665 -0.379 0.002 12 . 28057 LCM C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -9.627 . 12.535 . -1.984 . 1.822 0.622 -0.010 13 . 28057 LCM N14 N14 N14 N14 . N . . N 0 . . . 1 no no . . . . -8.685 . 11.454 . -1.991 . 3.095 -0.104 -0.006 14 . 28057 LCM C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -7.400 . 11.623 . -2.287 . 4.258 0.576 -0.016 15 . 28057 LCM C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . -6.472 . 10.446 . -2.204 . 5.540 -0.154 -0.012 16 . 28057 LCM O17 O17 O17 O17 . O . . N 0 . . . 1 no no . . . . -7.007 . 12.696 . -2.642 . 4.252 1.792 -0.027 17 . 28057 LCM C18 C18 C18 C18 . C . . N 0 . . . 1 yes no . . . . -6.947 . 9.103 . -1.841 . 6.751 0.548 -0.021 18 . 28057 LCM C19 C19 C19 C19 . C . . N 0 . . . 1 yes no . . . . -5.927 . 8.063 . -1.806 . 7.953 -0.152 -0.017 19 . 28057 LCM C20 C20 C20 C20 . C . . N 0 . . . 1 yes no . . . . -4.593 . 8.294 . -2.043 . 7.949 -1.536 -0.003 20 . 28057 LCM C21 C21 C21 C21 . C . . N 0 . . . 1 yes no . . . . -4.177 . 9.583 . -2.358 . 6.750 -2.231 0.006 21 . 28057 LCM C22 C22 C22 C22 . C . . N 0 . . . 1 yes no . . . . -5.095 . 10.611 . -2.447 . 5.552 -1.552 0.008 22 . 28057 LCM O23 O23 O23 O23 . O . . N 0 . . . 1 no no . . . . -8.265 . 8.710 . -1.580 . 6.751 1.906 -0.035 23 . 28057 LCM O24 O24 O24 O24 . O . . N 0 . . . 1 no no . . . . -6.400 . 6.853 . -1.546 . 9.134 0.524 -0.026 24 . 28057 LCM O25 O25 O25 O25 . O . . N 0 . . . 1 no no . . . . -10.421 . 7.378 . -0.742 . -6.751 -1.906 0.033 25 . 28057 LCM O26 O26 O26 O26 . O . . N 0 . . . 1 no no . . . . -8.363 . 6.504 . 0.881 . -9.134 -0.524 0.026 26 . 28057 LCM H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -8.610 . 6.982 . 3.475 . -8.884 2.076 -0.003 27 . 28057 LCM H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -12.393 . 8.947 . 3.119 . -4.621 2.100 -0.009 28 . 28057 LCM H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -10.533 . 8.124 . 4.477 . -6.756 3.311 -0.015 29 . 28057 LCM HN8 HN8 HN8 HN8 . H . . N 0 . . . 1 no no . . . . -11.684 . 8.392 . -1.245 . -3.100 1.074 -0.004 30 . 28057 LCM H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -12.501 . 9.972 . -2.727 . -1.759 -1.240 0.905 31 . 28057 LCM H10A H10A H10A H10A . H . . N 0 . . . 0 no no . . . . -13.687 . 10.504 . -1.488 . -1.763 -1.256 -0.874 32 . 28057 LCM H11 H11 H11 H11 . H . . N 0 . . . 1 no no . . . . -12.207 . 11.985 . -0.535 . -0.728 0.997 -0.898 33 . 28057 LCM H11A H11A H11A H11A . H . . N 0 . . . 0 no no . . . . -10.857 . 10.803 . -0.618 . -0.724 1.014 0.882 34 . 28057 LCM H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . -11.006 . 11.448 . -3.213 . 0.728 -0.997 0.897 35 . 28057 LCM H12A H12A H12A H12A . H . . N 0 . . . 0 no no . . . . -11.660 . 12.965 . -2.509 . 0.724 -1.014 -0.882 36 . 28057 LCM H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . -9.314 . 13.280 . -2.730 . 1.759 1.240 -0.906 37 . 28057 LCM H13A H13A H13A H13A . H . . N 0 . . . 0 no no . . . . -9.629 . 12.995 . -0.985 . 1.763 1.256 0.874 38 . 28057 LCM HN14 HN14 HN14 HN14 . H . . N 0 . . . 0 no no . . . . -9.008 . 10.535 . -1.764 . 3.100 -1.074 0.003 39 . 28057 LCM H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . -3.878 . 7.486 . -1.985 . 8.884 -2.076 0.000 40 . 28057 LCM H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . -3.130 . 9.781 . -2.534 . 6.756 -3.311 0.017 41 . 28057 LCM H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . -4.738 . 11.594 . -2.717 . 4.621 -2.100 0.019 42 . 28057 LCM HO23 HO23 HO23 HO23 . H . . N 0 . . . 0 no no . . . . -8.284 . 7.784 . -1.370 . 6.753 2.308 0.845 43 . 28057 LCM HO24 HO24 HO24 HO24 . H . . N 0 . . . 0 no no . . . . -5.685 . 6.228 . -1.538 . 9.477 0.729 0.854 44 . 28057 LCM HO25 HO25 HO25 HO25 . H . . N 0 . . . 0 no no . . . . -11.201 . 7.740 . -1.145 . -6.754 -2.307 -0.846 45 . 28057 LCM HO26 HO26 HO26 HO26 . H . . N 0 . . . 0 no no . . . . -8.519 . 6.449 . -0.054 . -9.477 -0.728 -0.854 46 . 28057 LCM 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 . DOUB C1 C2 yes N 1 . 28057 LCM 2 . SING C1 C6 yes N 2 . 28057 LCM 3 . SING C2 C3 yes N 3 . 28057 LCM 4 . SING C2 O26 no N 4 . 28057 LCM 5 . DOUB C3 C4 yes N 5 . 28057 LCM 6 . SING C3 O25 no N 6 . 28057 LCM 7 . SING C4 C5 yes N 7 . 28057 LCM 8 . SING C4 C7 no N 8 . 28057 LCM 9 . DOUB C5 C6 yes N 9 . 28057 LCM 10 . SING C7 N8 no N 10 . 28057 LCM 11 . DOUB C7 O9 no N 11 . 28057 LCM 12 . SING N8 C10 no N 12 . 28057 LCM 13 . SING C10 C11 no N 13 . 28057 LCM 14 . SING C11 C12 no N 14 . 28057 LCM 15 . SING C12 C13 no N 15 . 28057 LCM 16 . SING C13 N14 no N 16 . 28057 LCM 17 . SING N14 C15 no N 17 . 28057 LCM 18 . SING C15 C16 no N 18 . 28057 LCM 19 . DOUB C15 O17 no N 19 . 28057 LCM 20 . DOUB C16 C18 yes N 20 . 28057 LCM 21 . SING C16 C22 yes N 21 . 28057 LCM 22 . SING C18 C19 yes N 22 . 28057 LCM 23 . SING C18 O23 no N 23 . 28057 LCM 24 . DOUB C19 C20 yes N 24 . 28057 LCM 25 . SING C19 O24 no N 25 . 28057 LCM 26 . SING C20 C21 yes N 26 . 28057 LCM 27 . DOUB C21 C22 yes N 27 . 28057 LCM 28 . SING C1 H1 no N 28 . 28057 LCM 29 . SING C5 H5 no N 29 . 28057 LCM 30 . SING C6 H6 no N 30 . 28057 LCM 31 . SING N8 HN8 no N 31 . 28057 LCM 32 . SING C10 H10 no N 32 . 28057 LCM 33 . SING C10 H10A no N 33 . 28057 LCM 34 . SING C11 H11 no N 34 . 28057 LCM 35 . SING C11 H11A no N 35 . 28057 LCM 36 . SING C12 H12 no N 36 . 28057 LCM 37 . SING C12 H12A no N 37 . 28057 LCM 38 . SING C13 H13 no N 38 . 28057 LCM 39 . SING C13 H13A no N 39 . 28057 LCM 40 . SING N14 HN14 no N 40 . 28057 LCM 41 . SING C20 H20 no N 41 . 28057 LCM 42 . SING C21 H21 no N 42 . 28057 LCM 43 . SING C22 H22 no N 43 . 28057 LCM 44 . SING O23 HO23 no N 44 . 28057 LCM 45 . SING O24 HO24 no N 45 . 28057 LCM 46 . SING O25 HO25 no N 46 . 28057 LCM 47 . SING O26 HO26 no N 47 . 28057 LCM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DCN_holo_PiuA _Sample.Sf_category sample _Sample.Sf_framecode DCN_holo_PiuA _Sample.Entry_ID 28057 _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 PiuA '[U-13C; U-15N; U-2H]' . . 1 $PiuA . . 0.9 . . mM . . . . 28057 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 28057 1 3 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 28057 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28057 1 5 MES 'natural abundance' . . . . . . 25 . . mM . . . . 28057 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 28057 _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 pH 6.5 . pH 28057 1 pressure 1 . atm 28057 1 temperature 273 . K 28057 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28057 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28057 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28057 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28057 _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' . . 28057 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28057 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 28057 _Software.ID 3 _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 . . 28057 3 'Hyberts, Wagner' . . 28057 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 28057 3 . processing 28057 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_b600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode b600 _NMR_spectrometer.Entry_ID 28057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance Neo' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 28057 _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 b600 Bruker 'Avance Neo' . 600 . . . 28057 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 28057 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 1 2 '3D HNCO' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 1 5 '3D HNCA' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 1 6 '3D HNCACB' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $DCN_holo_PiuA isotropic . . 1 $sample_conditions_1 . . . 1 $b600 . . . . . . . . . . . . . . . . 28057 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 28057 _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 . . . . . 28057 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28057 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28057 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 28057 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28057 1 2 '3D HNCO' . . . 28057 1 3 '3D HN(CO)CA' . . . 28057 1 4 '3D HN(CO)CACB' . . . 28057 1 5 '3D HNCA' . . . 28057 1 6 '3D HNCACB' . . . 28057 1 7 '3D HN(CA)CO' . . . 28057 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 28057 1 2 $NMRPipe . . 28057 1 3 $Sparky . . 28057 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 MET C C 13 176.214 0.3 . 1 . . . . . 36 MET C . 28057 1 2 . 1 . 1 3 3 MET CA C 13 62.025 0.3 . 1 . . . . . 36 MET CA . 28057 1 3 . 1 . 1 3 3 MET CB C 13 33.428 0.3 . 1 . . . . . 36 MET CB . 28057 1 4 . 1 . 1 4 4 SER H H 1 8.313 0.020 . 1 . . . . . 37 SER H . 28057 1 5 . 1 . 1 4 4 SER C C 13 173.604 0.3 . 1 . . . . . 37 SER C . 28057 1 6 . 1 . 1 4 4 SER CA C 13 57.703 0.3 . 1 . . . . . 37 SER CA . 28057 1 7 . 1 . 1 4 4 SER CB C 13 63.234 0.3 . 1 . . . . . 37 SER CB . 28057 1 8 . 1 . 1 4 4 SER N N 15 115.741 0.3 . 1 . . . . . 37 SER N . 28057 1 9 . 1 . 1 5 5 ALA H H 1 8.151 0.020 . 1 . . . . . 38 ALA H . 28057 1 10 . 1 . 1 5 5 ALA C C 13 175.460 0.3 . 1 . . . . . 38 ALA C . 28057 1 11 . 1 . 1 5 5 ALA CA C 13 49.988 0.3 . 1 . . . . . 38 ALA CA . 28057 1 12 . 1 . 1 5 5 ALA CB C 13 17.505 0.3 . 1 . . . . . 38 ALA CB . 28057 1 13 . 1 . 1 5 5 ALA N N 15 126.451 0.3 . 1 . . . . . 38 ALA N . 28057 1 14 . 1 . 1 6 6 PRO C C 13 176.902 0.3 . 1 . . . . . 39 PRO C . 28057 1 15 . 1 . 1 6 6 PRO CA C 13 62.668 0.3 . 1 . . . . . 39 PRO CA . 28057 1 16 . 1 . 1 6 6 PRO CB C 13 31.038 0.3 . 1 . . . . . 39 PRO CB . 28057 1 17 . 1 . 1 7 7 THR H H 1 8.069 0.020 . 1 . . . . . 40 THR H . 28057 1 18 . 1 . 1 7 7 THR C C 13 173.701 0.3 . 1 . . . . . 40 THR C . 28057 1 19 . 1 . 1 7 7 THR CA C 13 61.203 0.3 . 1 . . . . . 40 THR CA . 28057 1 20 . 1 . 1 7 7 THR CB C 13 69.273 0.3 . 1 . . . . . 40 THR CB . 28057 1 21 . 1 . 1 7 7 THR N N 15 114.297 0.3 . 1 . . . . . 40 THR N . 28057 1 22 . 1 . 1 8 8 GLU H H 1 7.966 0.020 . 1 . . . . . 41 GLU H . 28057 1 23 . 1 . 1 8 8 GLU C C 13 175.333 0.3 . 1 . . . . . 41 GLU C . 28057 1 24 . 1 . 1 8 8 GLU CA C 13 55.739 0.3 . 1 . . . . . 41 GLU CA . 28057 1 25 . 1 . 1 8 8 GLU CB C 13 30.212 0.3 . 1 . . . . . 41 GLU CB . 28057 1 26 . 1 . 1 8 8 GLU N N 15 122.333 0.3 . 1 . . . . . 41 GLU N . 28057 1 27 . 1 . 1 9 9 ILE H H 1 8.358 0.020 . 1 . . . . . 42 ILE H . 28057 1 28 . 1 . 1 9 9 ILE C C 13 175.115 0.3 . 1 . . . . . 42 ILE C . 28057 1 29 . 1 . 1 9 9 ILE CA C 13 59.703 0.3 . 1 . . . . . 42 ILE CA . 28057 1 30 . 1 . 1 9 9 ILE CB C 13 39.075 0.3 . 1 . . . . . 42 ILE CB . 28057 1 31 . 1 . 1 9 9 ILE N N 15 125.455 0.3 . 1 . . . . . 42 ILE N . 28057 1 32 . 1 . 1 10 10 THR H H 1 8.380 0.020 . 1 . . . . . 43 THR H . 28057 1 33 . 1 . 1 10 10 THR C C 13 174.093 0.3 . 1 . . . . . 43 THR C . 28057 1 34 . 1 . 1 10 10 THR CA C 13 60.168 0.3 . 1 . . . . . 43 THR CA . 28057 1 35 . 1 . 1 10 10 THR CB C 13 69.822 0.3 . 1 . . . . . 43 THR CB . 28057 1 36 . 1 . 1 10 10 THR N N 15 121.204 0.3 . 1 . . . . . 43 THR N . 28057 1 37 . 1 . 1 11 11 ILE H H 1 8.935 0.020 . 1 . . . . . 44 ILE H . 28057 1 38 . 1 . 1 11 11 ILE C C 13 175.866 0.3 . 1 . . . . . 44 ILE C . 28057 1 39 . 1 . 1 11 11 ILE CA C 13 60.060 0.3 . 1 . . . . . 44 ILE CA . 28057 1 40 . 1 . 1 11 11 ILE CB C 13 38.526 0.3 . 1 . . . . . 44 ILE CB . 28057 1 41 . 1 . 1 11 11 ILE N N 15 122.997 0.3 . 1 . . . . . 44 ILE N . 28057 1 42 . 1 . 1 12 12 LYS H H 1 8.432 0.020 . 1 . . . . . 45 LYS H . 28057 1 43 . 1 . 1 12 12 LYS C C 13 175.960 0.3 . 1 . . . . . 45 LYS C . 28057 1 44 . 1 . 1 12 12 LYS CA C 13 55.167 0.3 . 1 . . . . . 45 LYS CA . 28057 1 45 . 1 . 1 12 12 LYS CB C 13 32.251 0.3 . 1 . . . . . 45 LYS CB . 28057 1 46 . 1 . 1 12 12 LYS N N 15 130.834 0.3 . 1 . . . . . 45 LYS N . 28057 1 47 . 1 . 1 13 13 SER H H 1 9.128 0.020 . 1 . . . . . 46 SER H . 28057 1 48 . 1 . 1 13 13 SER C C 13 172.634 0.3 . 1 . . . . . 46 SER C . 28057 1 49 . 1 . 1 13 13 SER CA C 13 57.882 0.3 . 1 . . . . . 46 SER CA . 28057 1 50 . 1 . 1 13 13 SER CB C 13 63.704 0.3 . 1 . . . . . 46 SER CB . 28057 1 51 . 1 . 1 13 13 SER N N 15 121.138 0.3 . 1 . . . . . 46 SER N . 28057 1 52 . 1 . 1 14 14 SER H H 1 8.314 0.020 . 1 . . . . . 47 SER H . 28057 1 53 . 1 . 1 14 14 SER C C 13 174.658 0.3 . 1 . . . . . 47 SER C . 28057 1 54 . 1 . 1 14 14 SER CA C 13 60.203 0.3 . 1 . . . . . 47 SER CA . 28057 1 55 . 1 . 1 14 14 SER CB C 13 63.312 0.3 . 1 . . . . . 47 SER CB . 28057 1 56 . 1 . 1 14 14 SER N N 15 115.692 0.3 . 1 . . . . . 47 SER N . 28057 1 57 . 1 . 1 15 15 LEU H H 1 7.610 0.020 . 1 . . . . . 48 LEU H . 28057 1 58 . 1 . 1 15 15 LEU C C 13 175.364 0.3 . 1 . . . . . 48 LEU C . 28057 1 59 . 1 . 1 15 15 LEU CA C 13 52.060 0.3 . 1 . . . . . 48 LEU CA . 28057 1 60 . 1 . 1 15 15 LEU CB C 13 41.664 0.3 . 1 . . . . . 48 LEU CB . 28057 1 61 . 1 . 1 15 15 LEU N N 15 120.606 0.3 . 1 . . . . . 48 LEU N . 28057 1 62 . 1 . 1 16 16 ASP H H 1 7.610 0.020 . 1 . . . . . 49 ASP H . 28057 1 63 . 1 . 1 16 16 ASP C C 13 176.964 0.3 . 1 . . . . . 49 ASP C . 28057 1 64 . 1 . 1 16 16 ASP CA C 13 54.489 0.3 . 1 . . . . . 49 ASP CA . 28057 1 65 . 1 . 1 16 16 ASP CB C 13 40.252 0.3 . 1 . . . . . 49 ASP CB . 28057 1 66 . 1 . 1 16 16 ASP N N 15 116.422 0.3 . 1 . . . . . 49 ASP N . 28057 1 67 . 1 . 1 17 17 GLU H H 1 8.632 0.020 . 1 . . . . . 50 GLU H . 28057 1 68 . 1 . 1 17 17 GLU C C 13 175.678 0.3 . 1 . . . . . 50 GLU C . 28057 1 69 . 1 . 1 17 17 GLU CA C 13 57.382 0.3 . 1 . . . . . 50 GLU CA . 28057 1 70 . 1 . 1 17 17 GLU CB C 13 29.663 0.3 . 1 . . . . . 50 GLU CB . 28057 1 71 . 1 . 1 17 17 GLU N N 15 123.794 0.3 . 1 . . . . . 50 GLU N . 28057 1 72 . 1 . 1 18 18 VAL H H 1 7.529 0.020 . 1 . . . . . 51 VAL H . 28057 1 73 . 1 . 1 18 18 VAL C C 13 173.999 0.3 . 1 . . . . . 51 VAL C . 28057 1 74 . 1 . 1 18 18 VAL CA C 13 60.203 0.3 . 1 . . . . . 51 VAL CA . 28057 1 75 . 1 . 1 18 18 VAL CB C 13 33.506 0.3 . 1 . . . . . 51 VAL CB . 28057 1 76 . 1 . 1 18 18 VAL N N 15 122.134 0.3 . 1 . . . . . 51 VAL N . 28057 1 77 . 1 . 1 19 19 LYS H H 1 8.232 0.020 . 1 . . . . . 52 LYS H . 28057 1 78 . 1 . 1 19 19 LYS C C 13 175.756 0.3 . 1 . . . . . 52 LYS C . 28057 1 79 . 1 . 1 19 19 LYS CA C 13 53.953 0.3 . 1 . . . . . 52 LYS CA . 28057 1 80 . 1 . 1 19 19 LYS CB C 13 32.957 0.3 . 1 . . . . . 52 LYS CB . 28057 1 81 . 1 . 1 19 19 LYS N N 15 125.189 0.3 . 1 . . . . . 52 LYS N . 28057 1 82 . 1 . 1 20 20 LEU H H 1 8.839 0.020 . 1 . . . . . 53 LEU H . 28057 1 83 . 1 . 1 20 20 LEU C C 13 176.933 0.3 . 1 . . . . . 53 LEU C . 28057 1 84 . 1 . 1 20 20 LEU CA C 13 52.560 0.3 . 1 . . . . . 53 LEU CA . 28057 1 85 . 1 . 1 20 20 LEU CB C 13 43.781 0.3 . 1 . . . . . 53 LEU CB . 28057 1 86 . 1 . 1 20 20 LEU N N 15 122.732 0.3 . 1 . . . . . 53 LEU N . 28057 1 87 . 1 . 1 21 21 SER H H 1 8.809 0.020 . 1 . . . . . 54 SER H . 28057 1 88 . 1 . 1 21 21 SER C C 13 173.089 0.3 . 1 . . . . . 54 SER C . 28057 1 89 . 1 . 1 21 21 SER CA C 13 58.239 0.3 . 1 . . . . . 54 SER CA . 28057 1 90 . 1 . 1 21 21 SER CB C 13 63.234 0.3 . 1 . . . . . 54 SER CB . 28057 1 91 . 1 . 1 21 21 SER N N 15 114.762 0.3 . 1 . . . . . 54 SER N . 28057 1 92 . 1 . 1 22 22 LYS H H 1 7.263 0.020 . 1 . . . . . 55 LYS H . 28057 1 93 . 1 . 1 22 22 LYS C C 13 174.344 0.3 . 1 . . . . . 55 LYS C . 28057 1 94 . 1 . 1 22 22 LYS CA C 13 53.917 0.3 . 1 . . . . . 55 LYS CA . 28057 1 95 . 1 . 1 22 22 LYS CB C 13 33.349 0.3 . 1 . . . . . 55 LYS CB . 28057 1 96 . 1 . 1 22 22 LYS N N 15 116.090 0.3 . 1 . . . . . 55 LYS N . 28057 1 97 . 1 . 1 23 23 VAL H H 1 7.921 0.020 . 1 . . . . . 56 VAL H . 28057 1 98 . 1 . 1 23 23 VAL C C 13 174.815 0.3 . 1 . . . . . 56 VAL C . 28057 1 99 . 1 . 1 23 23 VAL CA C 13 60.203 0.3 . 1 . . . . . 56 VAL CA . 28057 1 100 . 1 . 1 23 23 VAL CB C 13 31.938 0.3 . 1 . . . . . 56 VAL CB . 28057 1 101 . 1 . 1 23 23 VAL N N 15 122.200 0.3 . 1 . . . . . 56 VAL N . 28057 1 102 . 1 . 1 24 24 PRO C C 13 175.511 0.3 . 1 . . . . . 57 PRO C . 28057 1 103 . 1 . 1 24 24 PRO CA C 13 62.060 0.3 . 1 . . . . . 57 PRO CA . 28057 1 104 . 1 . 1 24 24 PRO CB C 13 30.411 0.3 . 1 . . . . . 57 PRO CB . 28057 1 105 . 1 . 1 25 25 GLU H H 1 9.379 0.020 . 1 . . . . . 58 GLU H . 28057 1 106 . 1 . 1 25 25 GLU C C 13 175.599 0.3 . 1 . . . . . 58 GLU C . 28057 1 107 . 1 . 1 25 25 GLU CA C 13 55.989 0.3 . 1 . . . . . 58 GLU CA . 28057 1 108 . 1 . 1 25 25 GLU CB C 13 31.781 0.3 . 1 . . . . . 58 GLU CB . 28057 1 109 . 1 . 1 25 25 GLU N N 15 124.259 0.3 . 1 . . . . . 58 GLU N . 28057 1 110 . 1 . 1 26 26 LYS H H 1 9.350 0.020 . 1 . . . . . 59 LYS H . 28057 1 111 . 1 . 1 26 26 LYS C C 13 175.160 0.3 . 1 . . . . . 59 LYS C . 28057 1 112 . 1 . 1 26 26 LYS CA C 13 54.560 0.3 . 1 . . . . . 59 LYS CA . 28057 1 113 . 1 . 1 26 26 LYS CB C 13 33.663 0.3 . 1 . . . . . 59 LYS CB . 28057 1 114 . 1 . 1 26 26 LYS N N 15 122.067 0.3 . 1 . . . . . 59 LYS N . 28057 1 115 . 1 . 1 27 27 ILE H H 1 9.054 0.020 . 1 . . . . . 60 ILE H . 28057 1 116 . 1 . 1 27 27 ILE C C 13 176.776 0.3 . 1 . . . . . 60 ILE C . 28057 1 117 . 1 . 1 27 27 ILE CA C 13 60.489 0.3 . 1 . . . . . 60 ILE CA . 28057 1 118 . 1 . 1 27 27 ILE CB C 13 40.173 0.3 . 1 . . . . . 60 ILE CB . 28057 1 119 . 1 . 1 27 27 ILE N N 15 121.470 0.3 . 1 . . . . . 60 ILE N . 28057 1 120 . 1 . 1 28 28 VAL H H 1 8.388 0.020 . 1 . . . . . 61 VAL H . 28057 1 121 . 1 . 1 28 28 VAL C C 13 174.391 0.3 . 1 . . . . . 61 VAL C . 28057 1 122 . 1 . 1 28 28 VAL CA C 13 59.417 0.3 . 1 . . . . . 61 VAL CA . 28057 1 123 . 1 . 1 28 28 VAL CB C 13 32.957 0.3 . 1 . . . . . 61 VAL CB . 28057 1 124 . 1 . 1 28 28 VAL N N 15 127.845 0.3 . 1 . . . . . 61 VAL N . 28057 1 125 . 1 . 1 29 29 THR H H 1 7.936 0.020 . 1 . . . . . 62 THR H . 28057 1 126 . 1 . 1 29 29 THR C C 13 170.830 0.3 . 1 . . . . . 62 THR C . 28057 1 127 . 1 . 1 29 29 THR CA C 13 56.560 0.3 . 1 . . . . . 62 THR CA . 28057 1 128 . 1 . 1 29 29 THR CB C 13 70.607 0.3 . 1 . . . . . 62 THR CB . 28057 1 129 . 1 . 1 29 29 THR N N 15 117.751 0.3 . 1 . . . . . 62 THR N . 28057 1 130 . 1 . 1 30 30 PHE H H 1 8.811 0.020 . 1 . . . . . 63 PHE H . 28057 1 131 . 1 . 1 30 30 PHE C C 13 172.775 0.3 . 1 . . . . . 63 PHE C . 28057 1 132 . 1 . 1 30 30 PHE CA C 13 58.417 0.3 . 1 . . . . . 63 PHE CA . 28057 1 133 . 1 . 1 30 30 PHE CB C 13 39.311 0.3 . 1 . . . . . 63 PHE CB . 28057 1 134 . 1 . 1 30 30 PHE N N 15 122.992 0.3 . 1 . . . . . 63 PHE N . 28057 1 135 . 1 . 1 31 31 ASP H H 1 7.995 0.020 . 1 . . . . . 64 ASP H . 28057 1 136 . 1 . 1 31 31 ASP C C 13 177.529 0.3 . 1 . . . . . 64 ASP C . 28057 1 137 . 1 . 1 31 31 ASP CA C 13 52.203 0.3 . 1 . . . . . 64 ASP CA . 28057 1 138 . 1 . 1 31 31 ASP CB C 13 41.899 0.3 . 1 . . . . . 64 ASP CB . 28057 1 139 . 1 . 1 31 31 ASP N N 15 120.274 0.3 . 1 . . . . . 64 ASP N . 28057 1 140 . 1 . 1 32 32 LEU H H 1 9.120 0.020 . 1 . . . . . 65 LEU H . 28057 1 141 . 1 . 1 32 32 LEU C C 13 177.543 0.3 . 1 . . . . . 65 LEU C . 28057 1 142 . 1 . 1 32 32 LEU CA C 13 56.417 0.3 . 1 . . . . . 65 LEU CA . 28057 1 143 . 1 . 1 32 32 LEU CB C 13 38.840 0.3 . 1 . . . . . 65 LEU CB . 28057 1 144 . 1 . 1 32 32 LEU N N 15 127.381 0.3 . 1 . . . . . 65 LEU N . 28057 1 145 . 1 . 1 33 33 GLY H H 1 8.010 0.020 . 1 . . . . . 66 GLY H . 28057 1 146 . 1 . 1 33 33 GLY C C 13 176.384 0.3 . 1 . . . . . 66 GLY C . 28057 1 147 . 1 . 1 33 33 GLY CA C 13 45.417 0.3 . 1 . . . . . 66 GLY CA . 28057 1 148 . 1 . 1 33 33 GLY N N 15 109.316 0.3 . 1 . . . . . 66 GLY N . 28057 1 149 . 1 . 1 34 34 ALA H H 1 7.692 0.020 . 1 . . . . . 67 ALA H . 28057 1 150 . 1 . 1 34 34 ALA C C 13 180.228 0.3 . 1 . . . . . 67 ALA C . 28057 1 151 . 1 . 1 34 34 ALA CA C 13 53.381 0.3 . 1 . . . . . 67 ALA CA . 28057 1 152 . 1 . 1 34 34 ALA CB C 13 16.721 0.3 . 1 . . . . . 67 ALA CB . 28057 1 153 . 1 . 1 34 34 ALA N N 15 122.931 0.3 . 1 . . . . . 67 ALA N . 28057 1 154 . 1 . 1 35 35 ALA H H 1 7.307 0.020 . 1 . . . . . 68 ALA H . 28057 1 155 . 1 . 1 35 35 ALA C C 13 178.125 0.3 . 1 . . . . . 68 ALA C . 28057 1 156 . 1 . 1 35 35 ALA CA C 13 54.417 0.3 . 1 . . . . . 68 ALA CA . 28057 1 157 . 1 . 1 35 35 ALA CB C 13 16.763 0.3 . 1 . . . . . 68 ALA CB . 28057 1 158 . 1 . 1 35 35 ALA N N 15 116.043 0.3 . 1 . . . . . 68 ALA N . 28057 1 159 . 1 . 1 36 36 ASP H H 1 8.047 0.020 . 1 . . . . . 69 ASP H . 28057 1 160 . 1 . 1 36 36 ASP C C 13 180.134 0.3 . 1 . . . . . 69 ASP C . 28057 1 161 . 1 . 1 36 36 ASP CA C 13 55.524 0.3 . 1 . . . . . 69 ASP CA . 28057 1 162 . 1 . 1 36 36 ASP CB C 13 41.350 0.3 . 1 . . . . . 69 ASP CB . 28057 1 163 . 1 . 1 36 36 ASP N N 15 118.680 0.3 . 1 . . . . . 69 ASP N . 28057 1 164 . 1 . 1 37 37 THR H H 1 8.698 0.020 . 1 . . . . . 70 THR H . 28057 1 165 . 1 . 1 37 37 THR C C 13 180.143 0.3 . 1 . . . . . 70 THR C . 28057 1 166 . 1 . 1 37 37 THR CA C 13 66.739 0.3 . 1 . . . . . 70 THR CA . 28057 1 167 . 1 . 1 37 37 THR CB C 13 67.312 0.3 . 1 . . . . . 70 THR CB . 28057 1 168 . 1 . 1 37 37 THR N N 15 125.322 0.3 . 1 . . . . . 70 THR N . 28057 1 169 . 1 . 1 38 38 ILE H H 1 8.154 0.020 . 1 . . . . . 71 ILE H . 28057 1 170 . 1 . 1 38 38 ILE C C 13 178.329 0.3 . 1 . . . . . 71 ILE C . 28057 1 171 . 1 . 1 38 38 ILE CA C 13 66.096 0.3 . 1 . . . . . 71 ILE CA . 28057 1 172 . 1 . 1 38 38 ILE CB C 13 36.843 0.3 . 1 . . . . . 71 ILE CB . 28057 1 173 . 1 . 1 38 38 ILE N N 15 121.176 0.3 . 1 . . . . . 71 ILE N . 28057 1 174 . 1 . 1 39 39 ARG H H 1 8.217 0.020 . 1 . . . . . 72 ARG H . 28057 1 175 . 1 . 1 39 39 ARG C C 13 179.475 0.3 . 1 . . . . . 72 ARG C . 28057 1 176 . 1 . 1 39 39 ARG CA C 13 58.810 0.3 . 1 . . . . . 72 ARG CA . 28057 1 177 . 1 . 1 39 39 ARG CB C 13 29.817 0.3 . 1 . . . . . 72 ARG CB . 28057 1 178 . 1 . 1 39 39 ARG N N 15 117.551 0.3 . 1 . . . . . 72 ARG N . 28057 1 179 . 1 . 1 40 40 ALA H H 1 8.425 0.020 . 1 . . . . . 73 ALA H . 28057 1 180 . 1 . 1 40 40 ALA C C 13 179.434 0.3 . 1 . . . . . 73 ALA C . 28057 1 181 . 1 . 1 40 40 ALA CA C 13 54.453 0.3 . 1 . . . . . 73 ALA CA . 28057 1 182 . 1 . 1 40 40 ALA CB C 13 17.348 0.3 . 1 . . . . . 73 ALA CB . 28057 1 183 . 1 . 1 40 40 ALA N N 15 124.990 0.3 . 1 . . . . . 73 ALA N . 28057 1 184 . 1 . 1 41 41 LEU H H 1 7.625 0.020 . 1 . . . . . 74 LEU H . 28057 1 185 . 1 . 1 41 41 LEU C C 13 176.196 0.3 . 1 . . . . . 74 LEU C . 28057 1 186 . 1 . 1 41 41 LEU CA C 13 54.632 0.3 . 1 . . . . . 74 LEU CA . 28057 1 187 . 1 . 1 41 41 LEU CB C 13 41.115 0.3 . 1 . . . . . 74 LEU CB . 28057 1 188 . 1 . 1 41 41 LEU N N 15 114.563 0.3 . 1 . . . . . 74 LEU N . 28057 1 189 . 1 . 1 42 42 GLY H H 1 7.647 0.020 . 1 . . . . . 75 GLY H . 28057 1 190 . 1 . 1 42 42 GLY C C 13 175.992 0.3 . 1 . . . . . 75 GLY C . 28057 1 191 . 1 . 1 42 42 GLY CA C 13 44.238 0.3 . 1 . . . . . 75 GLY CA . 28057 1 192 . 1 . 1 42 42 GLY N N 15 103.671 0.3 . 1 . . . . . 75 GLY N . 28057 1 193 . 1 . 1 43 43 PHE H H 1 7.522 0.020 . 1 . . . . . 76 PHE H . 28057 1 194 . 1 . 1 43 43 PHE C C 13 175.725 0.3 . 1 . . . . . 76 PHE C . 28057 1 195 . 1 . 1 43 43 PHE CA C 13 57.453 0.3 . 1 . . . . . 76 PHE CA . 28057 1 196 . 1 . 1 43 43 PHE CB C 13 38.212 0.3 . 1 . . . . . 76 PHE CB . 28057 1 197 . 1 . 1 43 43 PHE N N 15 118.415 0.3 . 1 . . . . . 76 PHE N . 28057 1 198 . 1 . 1 44 44 GLU H H 1 9.120 0.020 . 1 . . . . . 77 GLU H . 28057 1 199 . 1 . 1 44 44 GLU C C 13 177.529 0.3 . 1 . . . . . 77 GLU C . 28057 1 200 . 1 . 1 44 44 GLU CA C 13 59.346 0.3 . 1 . . . . . 77 GLU CA . 28057 1 201 . 1 . 1 44 44 GLU CB C 13 27.153 0.3 . 1 . . . . . 77 GLU CB . 28057 1 202 . 1 . 1 44 44 GLU N N 15 119.942 0.3 . 1 . . . . . 77 GLU N . 28057 1 203 . 1 . 1 45 45 LYS H H 1 8.254 0.020 . 1 . . . . . 78 LYS H . 28057 1 204 . 1 . 1 45 45 LYS C C 13 176.352 0.3 . 1 . . . . . 78 LYS C . 28057 1 205 . 1 . 1 45 45 LYS CA C 13 57.239 0.3 . 1 . . . . . 78 LYS CA . 28057 1 206 . 1 . 1 45 45 LYS CB C 13 30.212 0.3 . 1 . . . . . 78 LYS CB . 28057 1 207 . 1 . 1 45 45 LYS N N 15 118.415 0.3 . 1 . . . . . 78 LYS N . 28057 1 208 . 1 . 1 46 46 ASN H H 1 8.180 0.020 . 1 . . . . . 79 ASN H . 28057 1 209 . 1 . 1 46 46 ASN C C 13 173.921 0.3 . 1 . . . . . 79 ASN C . 28057 1 210 . 1 . 1 46 46 ASN CA C 13 53.524 0.3 . 1 . . . . . 79 ASN CA . 28057 1 211 . 1 . 1 46 46 ASN CB C 13 36.095 0.3 . 1 . . . . . 79 ASN CB . 28057 1 212 . 1 . 1 46 46 ASN N N 15 118.282 0.3 . 1 . . . . . 79 ASN N . 28057 1 213 . 1 . 1 47 47 ILE H H 1 7.522 0.020 . 1 . . . . . 80 ILE H . 28057 1 214 . 1 . 1 47 47 ILE C C 13 174.674 0.3 . 1 . . . . . 80 ILE C . 28057 1 215 . 1 . 1 47 47 ILE CA C 13 61.096 0.3 . 1 . . . . . 80 ILE CA . 28057 1 216 . 1 . 1 47 47 ILE CB C 13 36.565 0.3 . 1 . . . . . 80 ILE CB . 28057 1 217 . 1 . 1 47 47 ILE N N 15 119.145 0.3 . 1 . . . . . 80 ILE N . 28057 1 218 . 1 . 1 48 48 VAL H H 1 8.950 0.020 . 1 . . . . . 81 VAL H . 28057 1 219 . 1 . 1 48 48 VAL C C 13 177.043 0.3 . 1 . . . . . 81 VAL C . 28057 1 220 . 1 . 1 48 48 VAL CA C 13 59.953 0.3 . 1 . . . . . 81 VAL CA . 28057 1 221 . 1 . 1 48 48 VAL CB C 13 32.016 0.3 . 1 . . . . . 81 VAL CB . 28057 1 222 . 1 . 1 48 48 VAL N N 15 117.286 0.3 . 1 . . . . . 81 VAL N . 28057 1 223 . 1 . 1 49 49 GLY H H 1 7.433 0.020 . 1 . . . . . 82 GLY H . 28057 1 224 . 1 . 1 49 49 GLY C C 13 169.998 0.3 . 1 . . . . . 82 GLY C . 28057 1 225 . 1 . 1 49 49 GLY CA C 13 45.560 0.3 . 1 . . . . . 82 GLY CA . 28057 1 226 . 1 . 1 49 49 GLY N N 15 107.058 0.3 . 1 . . . . . 82 GLY N . 28057 1 227 . 1 . 1 50 50 MET H H 1 8.225 0.020 . 1 . . . . . 83 MET H . 28057 1 228 . 1 . 1 50 50 MET C C 13 172.430 0.3 . 1 . . . . . 83 MET C . 28057 1 229 . 1 . 1 50 50 MET CA C 13 53.346 0.3 . 1 . . . . . 83 MET CA . 28057 1 230 . 1 . 1 50 50 MET CB C 13 36.330 0.3 . 1 . . . . . 83 MET CB . 28057 1 231 . 1 . 1 50 50 MET N N 15 123.927 0.3 . 1 . . . . . 83 MET N . 28057 1 232 . 1 . 1 51 51 PRO C C 13 178.574 0.3 . 1 . . . . . 84 PRO C . 28057 1 233 . 1 . 1 51 51 PRO CA C 13 62.275 0.3 . 1 . . . . . 84 PRO CA . 28057 1 234 . 1 . 1 51 51 PRO CB C 13 30.881 0.3 . 1 . . . . . 84 PRO CB . 28057 1 235 . 1 . 1 52 52 THR H H 1 7.943 0.020 . 1 . . . . . 85 THR H . 28057 1 236 . 1 . 1 52 52 THR C C 13 175.254 0.3 . 1 . . . . . 85 THR C . 28057 1 237 . 1 . 1 52 52 THR CA C 13 60.632 0.3 . 1 . . . . . 85 THR CA . 28057 1 238 . 1 . 1 52 52 THR CB C 13 67.861 0.3 . 1 . . . . . 85 THR CB . 28057 1 239 . 1 . 1 52 52 THR N N 15 111.441 0.3 . 1 . . . . . 85 THR N . 28057 1 240 . 1 . 1 53 53 LYS H H 1 7.411 0.020 . 1 . . . . . 86 LYS H . 28057 1 241 . 1 . 1 53 53 LYS C C 13 177.247 0.3 . 1 . . . . . 86 LYS C . 28057 1 242 . 1 . 1 53 53 LYS CA C 13 58.525 0.3 . 1 . . . . . 86 LYS CA . 28057 1 243 . 1 . 1 53 53 LYS CB C 13 31.859 0.3 . 1 . . . . . 86 LYS CB . 28057 1 244 . 1 . 1 53 53 LYS N N 15 121.536 0.3 . 1 . . . . . 86 LYS N . 28057 1 245 . 1 . 1 54 54 THR H H 1 8.121 0.020 . 1 . . . . . 87 THR H . 28057 1 246 . 1 . 1 54 54 THR C C 13 174.658 0.3 . 1 . . . . . 87 THR C . 28057 1 247 . 1 . 1 54 54 THR CA C 13 57.560 0.3 . 1 . . . . . 87 THR CA . 28057 1 248 . 1 . 1 54 54 THR CB C 13 69.744 0.3 . 1 . . . . . 87 THR CB . 28057 1 249 . 1 . 1 54 54 THR N N 15 108.918 0.3 . 1 . . . . . 87 THR N . 28057 1 250 . 1 . 1 55 55 VAL H H 1 8.328 0.020 . 1 . . . . . 88 VAL H . 28057 1 251 . 1 . 1 55 55 VAL C C 13 173.654 0.3 . 1 . . . . . 88 VAL C . 28057 1 252 . 1 . 1 55 55 VAL CA C 13 58.203 0.3 . 1 . . . . . 88 VAL CA . 28057 1 253 . 1 . 1 55 55 VAL CB C 13 32.957 0.3 . 1 . . . . . 88 VAL CB . 28057 1 254 . 1 . 1 55 55 VAL N N 15 124.724 0.3 . 1 . . . . . 88 VAL N . 28057 1 255 . 1 . 1 56 56 PRO C C 13 176.417 0.3 . 1 . . . . . 89 PRO C . 28057 1 256 . 1 . 1 56 56 PRO CA C 13 61.489 0.3 . 1 . . . . . 89 PRO CA . 28057 1 257 . 1 . 1 56 56 PRO CB C 13 31.744 0.3 . 1 . . . . . 89 PRO CB . 28057 1 258 . 1 . 1 57 57 THR H H 1 9.253 0.020 . 1 . . . . . 90 THR H . 28057 1 259 . 1 . 1 57 57 THR C C 13 177.968 0.3 . 1 . . . . . 90 THR C . 28057 1 260 . 1 . 1 57 57 THR CA C 13 66.454 0.3 . 1 . . . . . 90 THR CA . 28057 1 261 . 1 . 1 57 57 THR CB C 13 67.861 0.3 . 1 . . . . . 90 THR CB . 28057 1 262 . 1 . 1 57 57 THR N N 15 121.005 0.3 . 1 . . . . . 90 THR N . 28057 1 263 . 1 . 1 58 58 TYR H H 1 8.809 0.020 . 1 . . . . . 91 TYR H . 28057 1 264 . 1 . 1 58 58 TYR C C 13 175.552 0.3 . 1 . . . . . 91 TYR C . 28057 1 265 . 1 . 1 58 58 TYR CA C 13 59.203 0.3 . 1 . . . . . 91 TYR CA . 28057 1 266 . 1 . 1 58 58 TYR CB C 13 35.389 0.3 . 1 . . . . . 91 TYR CB . 28057 1 267 . 1 . 1 58 58 TYR N N 15 118.415 0.3 . 1 . . . . . 91 TYR N . 28057 1 268 . 1 . 1 59 59 LEU H H 1 7.314 0.020 . 1 . . . . . 92 LEU H . 28057 1 269 . 1 . 1 59 59 LEU C C 13 176.917 0.3 . 1 . . . . . 92 LEU C . 28057 1 270 . 1 . 1 59 59 LEU CA C 13 52.881 0.3 . 1 . . . . . 92 LEU CA . 28057 1 271 . 1 . 1 59 59 LEU CB C 13 43.938 0.3 . 1 . . . . . 92 LEU CB . 28057 1 272 . 1 . 1 59 59 LEU N N 15 122.400 0.3 . 1 . . . . . 92 LEU N . 28057 1 273 . 1 . 1 60 60 LYS H H 1 7.307 0.020 . 1 . . . . . 93 LYS H . 28057 1 274 . 1 . 1 60 60 LYS C C 13 178.000 0.3 . 1 . . . . . 93 LYS C . 28057 1 275 . 1 . 1 60 60 LYS CA C 13 59.453 0.3 . 1 . . . . . 93 LYS CA . 28057 1 276 . 1 . 1 60 60 LYS CB C 13 31.195 0.3 . 1 . . . . . 93 LYS CB . 28057 1 277 . 1 . 1 60 60 LYS N N 15 119.212 0.3 . 1 . . . . . 93 LYS N . 28057 1 278 . 1 . 1 61 61 ASP H H 1 8.610 0.020 . 1 . . . . . 94 ASP H . 28057 1 279 . 1 . 1 61 61 ASP C C 13 177.874 0.3 . 1 . . . . . 94 ASP C . 28057 1 280 . 1 . 1 61 61 ASP CA C 13 56.024 0.3 . 1 . . . . . 94 ASP CA . 28057 1 281 . 1 . 1 61 61 ASP CB C 13 39.232 0.3 . 1 . . . . . 94 ASP CB . 28057 1 282 . 1 . 1 61 61 ASP N N 15 117.419 0.3 . 1 . . . . . 94 ASP N . 28057 1 283 . 1 . 1 62 62 LEU H H 1 7.610 0.020 . 1 . . . . . 95 LEU H . 28057 1 284 . 1 . 1 62 62 LEU C C 13 178.141 0.3 . 1 . . . . . 95 LEU C . 28057 1 285 . 1 . 1 62 62 LEU CA C 13 55.810 0.3 . 1 . . . . . 95 LEU CA . 28057 1 286 . 1 . 1 62 62 LEU CB C 13 41.507 0.3 . 1 . . . . . 95 LEU CB . 28057 1 287 . 1 . 1 62 62 LEU N N 15 119.012 0.3 . 1 . . . . . 95 LEU N . 28057 1 288 . 1 . 1 63 63 VAL H H 1 7.166 0.020 . 1 . . . . . 96 VAL H . 28057 1 289 . 1 . 1 63 63 VAL C C 13 176.996 0.3 . 1 . . . . . 96 VAL C . 28057 1 290 . 1 . 1 63 63 VAL CA C 13 65.204 0.3 . 1 . . . . . 96 VAL CA . 28057 1 291 . 1 . 1 63 63 VAL CB C 13 30.134 0.3 . 1 . . . . . 96 VAL CB . 28057 1 292 . 1 . 1 63 63 VAL N N 15 114.430 0.3 . 1 . . . . . 96 VAL N . 28057 1 293 . 1 . 1 64 64 GLY H H 1 7.729 0.020 . 1 . . . . . 97 GLY H . 28057 1 294 . 1 . 1 64 64 GLY C C 13 175.144 0.3 . 1 . . . . . 97 GLY C . 28057 1 295 . 1 . 1 64 64 GLY CA C 13 45.560 0.3 . 1 . . . . . 97 GLY CA . 28057 1 296 . 1 . 1 64 64 GLY N N 15 104.202 0.3 . 1 . . . . . 97 GLY N . 28057 1 297 . 1 . 1 65 65 THR H H 1 7.559 0.020 . 1 . . . . . 98 THR H . 28057 1 298 . 1 . 1 65 65 THR C C 13 174.093 0.3 . 1 . . . . . 98 THR C . 28057 1 299 . 1 . 1 65 65 THR CA C 13 61.346 0.3 . 1 . . . . . 98 THR CA . 28057 1 300 . 1 . 1 65 65 THR CB C 13 68.646 0.3 . 1 . . . . . 98 THR CB . 28057 1 301 . 1 . 1 65 65 THR N N 15 108.984 0.3 . 1 . . . . . 98 THR N . 28057 1 302 . 1 . 1 66 66 VAL H H 1 7.033 0.020 . 1 . . . . . 99 VAL H . 28057 1 303 . 1 . 1 66 66 VAL C C 13 174.674 0.3 . 1 . . . . . 99 VAL C . 28057 1 304 . 1 . 1 66 66 VAL CA C 13 58.953 0.3 . 1 . . . . . 99 VAL CA . 28057 1 305 . 1 . 1 66 66 VAL CB C 13 33.271 0.3 . 1 . . . . . 99 VAL CB . 28057 1 306 . 1 . 1 66 66 VAL N N 15 113.168 0.3 . 1 . . . . . 99 VAL N . 28057 1 307 . 1 . 1 67 67 LYS H H 1 7.892 0.020 . 1 . . . . . 100 LYS H . 28057 1 308 . 1 . 1 67 67 LYS C C 13 175.741 0.3 . 1 . . . . . 100 LYS C . 28057 1 309 . 1 . 1 67 67 LYS CA C 13 54.203 0.3 . 1 . . . . . 100 LYS CA . 28057 1 310 . 1 . 1 67 67 LYS CB C 13 32.094 0.3 . 1 . . . . . 100 LYS CB . 28057 1 311 . 1 . 1 67 67 LYS N N 15 120.872 0.3 . 1 . . . . . 100 LYS N . 28057 1 312 . 1 . 1 68 68 ASN H H 1 8.432 0.020 . 1 . . . . . 101 ASN H . 28057 1 313 . 1 . 1 68 68 ASN C C 13 177.529 0.3 . 1 . . . . . 101 ASN C . 28057 1 314 . 1 . 1 68 68 ASN CA C 13 53.024 0.3 . 1 . . . . . 101 ASN CA . 28057 1 315 . 1 . 1 68 68 ASN CB C 13 38.212 0.3 . 1 . . . . . 101 ASN CB . 28057 1 316 . 1 . 1 68 68 ASN N N 15 120.009 0.3 . 1 . . . . . 101 ASN N . 28057 1 317 . 1 . 1 69 69 VAL H H 1 6.922 0.020 . 1 . . . . . 102 VAL H . 28057 1 318 . 1 . 1 69 69 VAL C C 13 173.936 0.3 . 1 . . . . . 102 VAL C . 28057 1 319 . 1 . 1 69 69 VAL CA C 13 59.810 0.3 . 1 . . . . . 102 VAL CA . 28057 1 320 . 1 . 1 69 69 VAL CB C 13 28.800 0.3 . 1 . . . . . 102 VAL CB . 28057 1 321 . 1 . 1 69 69 VAL N N 15 115.293 0.3 . 1 . . . . . 102 VAL N . 28057 1 322 . 1 . 1 70 70 GLY H H 1 8.069 0.020 . 1 . . . . . 103 GLY H . 28057 1 323 . 1 . 1 70 70 GLY C C 13 172.101 0.3 . 1 . . . . . 103 GLY C . 28057 1 324 . 1 . 1 70 70 GLY CA C 13 44.738 0.3 . 1 . . . . . 103 GLY CA . 28057 1 325 . 1 . 1 70 70 GLY N N 15 109.648 0.3 . 1 . . . . . 103 GLY N . 28057 1 326 . 1 . 1 71 71 SER H H 1 8.113 0.020 . 1 . . . . . 104 SER H . 28057 1 327 . 1 . 1 71 71 SER C C 13 173.748 0.3 . 1 . . . . . 104 SER C . 28057 1 328 . 1 . 1 71 71 SER CA C 13 54.953 0.3 . 1 . . . . . 104 SER CA . 28057 1 329 . 1 . 1 71 71 SER CB C 13 65.665 0.3 . 1 . . . . . 104 SER CB . 28057 1 330 . 1 . 1 71 71 SER N N 15 116.531 0.3 . 1 . . . . . 104 SER N . 28057 1 331 . 1 . 1 72 72 MET H H 1 9.120 0.020 . 1 . . . . . 105 MET H . 28057 1 332 . 1 . 1 72 72 MET C C 13 176.117 0.3 . 1 . . . . . 105 MET C . 28057 1 333 . 1 . 1 72 72 MET CA C 13 55.989 0.3 . 1 . . . . . 105 MET CA . 28057 1 334 . 1 . 1 72 72 MET CB C 13 30.526 0.3 . 1 . . . . . 105 MET CB . 28057 1 335 . 1 . 1 72 72 MET N N 15 112.637 0.3 . 1 . . . . . 105 MET N . 28057 1 336 . 1 . 1 73 73 LYS H H 1 7.403 0.020 . 1 . . . . . 106 LYS H . 28057 1 337 . 1 . 1 73 73 LYS C C 13 174.266 0.3 . 1 . . . . . 106 LYS C . 28057 1 338 . 1 . 1 73 73 LYS CA C 13 54.060 0.3 . 1 . . . . . 106 LYS CA . 28057 1 339 . 1 . 1 73 73 LYS CB C 13 33.428 0.3 . 1 . . . . . 106 LYS CB . 28057 1 340 . 1 . 1 73 73 LYS N N 15 108.453 0.3 . 1 . . . . . 106 LYS N . 28057 1 341 . 1 . 1 74 74 GLU H H 1 7.240 0.020 . 1 . . . . . 107 GLU H . 28057 1 342 . 1 . 1 74 74 GLU C C 13 172.775 0.3 . 1 . . . . . 107 GLU C . 28057 1 343 . 1 . 1 74 74 GLU CA C 13 52.631 0.3 . 1 . . . . . 107 GLU CA . 28057 1 344 . 1 . 1 74 74 GLU CB C 13 30.996 0.3 . 1 . . . . . 107 GLU CB . 28057 1 345 . 1 . 1 74 74 GLU N N 15 121.337 0.3 . 1 . . . . . 107 GLU N . 28057 1 346 . 1 . 1 75 75 PRO C C 13 174.511 0.3 . 1 . . . . . 108 PRO C . 28057 1 347 . 1 . 1 75 75 PRO CA C 13 61.132 0.3 . 1 . . . . . 108 PRO CA . 28057 1 348 . 1 . 1 75 75 PRO CB C 13 32.529 0.3 . 1 . . . . . 108 PRO CB . 28057 1 349 . 1 . 1 76 76 ASP H H 1 8.602 0.020 . 1 . . . . . 109 ASP H . 28057 1 350 . 1 . 1 76 76 ASP C C 13 176.258 0.3 . 1 . . . . . 109 ASP C . 28057 1 351 . 1 . 1 76 76 ASP CA C 13 51.703 0.3 . 1 . . . . . 109 ASP CA . 28057 1 352 . 1 . 1 76 76 ASP CB C 13 39.075 0.3 . 1 . . . . . 109 ASP CB . 28057 1 353 . 1 . 1 76 76 ASP N N 15 121.536 0.3 . 1 . . . . . 109 ASP N . 28057 1 354 . 1 . 1 77 77 LEU H H 1 8.314 0.020 . 1 . . . . . 110 LEU H . 28057 1 355 . 1 . 1 77 77 LEU C C 13 179.553 0.3 . 1 . . . . . 110 LEU C . 28057 1 356 . 1 . 1 77 77 LEU CA C 13 57.739 0.3 . 1 . . . . . 110 LEU CA . 28057 1 357 . 1 . 1 77 77 LEU CB C 13 39.624 0.3 . 1 . . . . . 110 LEU CB . 28057 1 358 . 1 . 1 77 77 LEU N N 15 122.798 0.3 . 1 . . . . . 110 LEU N . 28057 1 359 . 1 . 1 78 78 GLU H H 1 8.084 0.020 . 1 . . . . . 111 GLU H . 28057 1 360 . 1 . 1 78 78 GLU C C 13 179.239 0.3 . 1 . . . . . 111 GLU C . 28057 1 361 . 1 . 1 78 78 GLU CA C 13 59.132 0.3 . 1 . . . . . 111 GLU CA . 28057 1 362 . 1 . 1 78 78 GLU CB C 13 28.329 0.3 . 1 . . . . . 111 GLU CB . 28057 1 363 . 1 . 1 78 78 GLU N N 15 119.544 0.3 . 1 . . . . . 111 GLU N . 28057 1 364 . 1 . 1 79 79 ALA H H 1 7.603 0.020 . 1 . . . . . 112 ALA H . 28057 1 365 . 1 . 1 79 79 ALA C C 13 180.400 0.3 . 1 . . . . . 112 ALA C . 28057 1 366 . 1 . 1 79 79 ALA CA C 13 53.667 0.3 . 1 . . . . . 112 ALA CA . 28057 1 367 . 1 . 1 79 79 ALA CB C 13 17.113 0.3 . 1 . . . . . 112 ALA CB . 28057 1 368 . 1 . 1 79 79 ALA N N 15 122.732 0.3 . 1 . . . . . 112 ALA N . 28057 1 369 . 1 . 1 80 80 ILE H H 1 7.855 0.020 . 1 . . . . . 113 ILE H . 28057 1 370 . 1 . 1 80 80 ILE C C 13 177.482 0.3 . 1 . . . . . 113 ILE C . 28057 1 371 . 1 . 1 80 80 ILE CA C 13 65.346 0.3 . 1 . . . . . 113 ILE CA . 28057 1 372 . 1 . 1 80 80 ILE CB C 13 37.271 0.3 . 1 . . . . . 113 ILE CB . 28057 1 373 . 1 . 1 80 80 ILE N N 15 115.227 0.3 . 1 . . . . . 113 ILE N . 28057 1 374 . 1 . 1 81 81 ALA H H 1 8.114 0.020 . 1 . . . . . 114 ALA H . 28057 1 375 . 1 . 1 81 81 ALA C C 13 181.373 0.3 . 1 . . . . . 114 ALA C . 28057 1 376 . 1 . 1 81 81 ALA CA C 13 54.882 0.3 . 1 . . . . . 114 ALA CA . 28057 1 377 . 1 . 1 81 81 ALA CB C 13 16.721 0.3 . 1 . . . . . 114 ALA CB . 28057 1 378 . 1 . 1 81 81 ALA N N 15 119.743 0.3 . 1 . . . . . 114 ALA N . 28057 1 379 . 1 . 1 82 82 ALA H H 1 7.581 0.020 . 1 . . . . . 115 ALA H . 28057 1 380 . 1 . 1 82 82 ALA C C 13 179.067 0.3 . 1 . . . . . 115 ALA C . 28057 1 381 . 1 . 1 82 82 ALA CA C 13 53.560 0.3 . 1 . . . . . 115 ALA CA . 28057 1 382 . 1 . 1 82 82 ALA CB C 13 17.035 0.3 . 1 . . . . . 115 ALA CB . 28057 1 383 . 1 . 1 82 82 ALA N N 15 118.415 0.3 . 1 . . . . . 115 ALA N . 28057 1 384 . 1 . 1 83 83 LEU H H 1 7.203 0.020 . 1 . . . . . 116 LEU H . 28057 1 385 . 1 . 1 83 83 LEU C C 13 175.945 0.3 . 1 . . . . . 116 LEU C . 28057 1 386 . 1 . 1 83 83 LEU CA C 13 54.846 0.3 . 1 . . . . . 116 LEU CA . 28057 1 387 . 1 . 1 83 83 LEU CB C 13 41.585 0.3 . 1 . . . . . 116 LEU CB . 28057 1 388 . 1 . 1 83 83 LEU N N 15 116.422 0.3 . 1 . . . . . 116 LEU N . 28057 1 389 . 1 . 1 84 84 GLU H H 1 7.551 0.020 . 1 . . . . . 117 GLU H . 28057 1 390 . 1 . 1 84 84 GLU C C 13 172.618 0.3 . 1 . . . . . 117 GLU C . 28057 1 391 . 1 . 1 84 84 GLU CA C 13 55.953 0.3 . 1 . . . . . 117 GLU CA . 28057 1 392 . 1 . 1 84 84 GLU CB C 13 27.545 0.3 . 1 . . . . . 117 GLU CB . 28057 1 393 . 1 . 1 84 84 GLU N N 15 112.039 0.3 . 1 . . . . . 117 GLU N . 28057 1 394 . 1 . 1 85 85 PRO C C 13 175.949 0.3 . 1 . . . . . 118 PRO C . 28057 1 395 . 1 . 1 85 85 PRO CA C 13 62.132 0.3 . 1 . . . . . 118 PRO CA . 28057 1 396 . 1 . 1 85 85 PRO CB C 13 31.509 0.3 . 1 . . . . . 118 PRO CB . 28057 1 397 . 1 . 1 86 86 ASP H H 1 8.980 0.020 . 1 . . . . . 119 ASP H . 28057 1 398 . 1 . 1 86 86 ASP C C 13 175.694 0.3 . 1 . . . . . 119 ASP C . 28057 1 399 . 1 . 1 86 86 ASP CA C 13 53.310 0.3 . 1 . . . . . 119 ASP CA . 28057 1 400 . 1 . 1 86 86 ASP CB C 13 41.585 0.3 . 1 . . . . . 119 ASP CB . 28057 1 401 . 1 . 1 86 86 ASP N N 15 116.157 0.3 . 1 . . . . . 119 ASP N . 28057 1 402 . 1 . 1 87 87 LEU H H 1 6.922 0.020 . 1 . . . . . 120 LEU H . 28057 1 403 . 1 . 1 87 87 LEU C C 13 174.203 0.3 . 1 . . . . . 120 LEU C . 28057 1 404 . 1 . 1 87 87 LEU CA C 13 54.310 0.3 . 1 . . . . . 120 LEU CA . 28057 1 405 . 1 . 1 87 87 LEU CB C 13 44.880 0.3 . 1 . . . . . 120 LEU CB . 28057 1 406 . 1 . 1 87 87 LEU N N 15 116.090 0.3 . 1 . . . . . 120 LEU N . 28057 1 407 . 1 . 1 88 88 ILE H H 1 9.076 0.020 . 1 . . . . . 121 ILE H . 28057 1 408 . 1 . 1 88 88 ILE C C 13 174.016 0.3 . 1 . . . . . 121 ILE C . 28057 1 409 . 1 . 1 88 88 ILE CA C 13 59.453 0.3 . 1 . . . . . 121 ILE CA . 28057 1 410 . 1 . 1 88 88 ILE CB C 13 38.291 0.3 . 1 . . . . . 121 ILE CB . 28057 1 411 . 1 . 1 88 88 ILE N N 15 125.986 0.3 . 1 . . . . . 121 ILE N . 28057 1 412 . 1 . 1 89 89 ILE H H 1 9.113 0.020 . 1 . . . . . 122 ILE H . 28057 1 413 . 1 . 1 89 89 ILE C C 13 176.056 0.3 . 1 . . . . . 122 ILE C . 28057 1 414 . 1 . 1 89 89 ILE CA C 13 59.775 0.3 . 1 . . . . . 122 ILE CA . 28057 1 415 . 1 . 1 89 89 ILE CB C 13 35.624 0.3 . 1 . . . . . 122 ILE CB . 28057 1 416 . 1 . 1 89 89 ILE N N 15 126.451 0.3 . 1 . . . . . 122 ILE N . 28057 1 417 . 1 . 1 90 90 ALA H H 1 8.706 0.020 . 1 . . . . . 123 ALA H . 28057 1 418 . 1 . 1 90 90 ALA C C 13 172.353 0.3 . 1 . . . . . 123 ALA C . 28057 1 419 . 1 . 1 90 90 ALA CA C 13 50.167 0.3 . 1 . . . . . 123 ALA CA . 28057 1 420 . 1 . 1 90 90 ALA CB C 13 18.290 0.3 . 1 . . . . . 123 ALA CB . 28057 1 421 . 1 . 1 90 90 ALA N N 15 126.783 0.3 . 1 . . . . . 123 ALA N . 28057 1 422 . 1 . 1 91 91 SER H H 1 7.559 0.020 . 1 . . . . . 124 SER H . 28057 1 423 . 1 . 1 91 91 SER C C 13 172.885 0.3 . 1 . . . . . 124 SER C . 28057 1 424 . 1 . 1 91 91 SER CA C 13 54.989 0.3 . 1 . . . . . 124 SER CA . 28057 1 425 . 1 . 1 91 91 SER CB C 13 64.332 0.3 . 1 . . . . . 124 SER CB . 28057 1 426 . 1 . 1 91 91 SER N N 15 111.043 0.3 . 1 . . . . . 124 SER N . 28057 1 427 . 1 . 1 92 92 PRO C C 13 179.059 0.3 . 1 . . . . . 125 PRO C . 28057 1 428 . 1 . 1 92 92 PRO CA C 13 65.954 0.3 . 1 . . . . . 125 PRO CA . 28057 1 429 . 1 . 1 92 92 PRO CB C 13 30.960 0.3 . 1 . . . . . 125 PRO CB . 28057 1 430 . 1 . 1 93 93 ARG H H 1 7.374 0.020 . 1 . . . . . 126 ARG H . 28057 1 431 . 1 . 1 93 93 ARG C C 13 177.168 0.3 . 1 . . . . . 126 ARG C . 28057 1 432 . 1 . 1 93 93 ARG CA C 13 58.346 0.3 . 1 . . . . . 126 ARG CA . 28057 1 433 . 1 . 1 93 93 ARG CB C 13 31.388 0.3 . 1 . . . . . 126 ARG CB . 28057 1 434 . 1 . 1 93 93 ARG N N 15 113.899 0.3 . 1 . . . . . 126 ARG N . 28057 1 435 . 1 . 1 94 94 THR H H 1 7.640 0.020 . 1 . . . . . 127 THR H . 28057 1 436 . 1 . 1 94 94 THR C C 13 175.348 0.3 . 1 . . . . . 127 THR C . 28057 1 437 . 1 . 1 94 94 THR CA C 13 59.775 0.3 . 1 . . . . . 127 THR CA . 28057 1 438 . 1 . 1 94 94 THR CB C 13 68.646 0.3 . 1 . . . . . 127 THR CB . 28057 1 439 . 1 . 1 94 94 THR N N 15 104.534 0.3 . 1 . . . . . 127 THR N . 28057 1 440 . 1 . 1 95 95 GLN H H 1 7.226 0.020 . 1 . . . . . 128 GLN H . 28057 1 441 . 1 . 1 95 95 GLN C C 13 177.984 0.3 . 1 . . . . . 128 GLN C . 28057 1 442 . 1 . 1 95 95 GLN CA C 13 58.882 0.3 . 1 . . . . . 128 GLN CA . 28057 1 443 . 1 . 1 95 95 GLN CB C 13 27.624 0.3 . 1 . . . . . 128 GLN CB . 28057 1 444 . 1 . 1 95 95 GLN N N 15 123.329 0.3 . 1 . . . . . 128 GLN N . 28057 1 445 . 1 . 1 96 96 LYS H H 1 8.513 0.020 . 1 . . . . . 129 LYS H . 28057 1 446 . 1 . 1 96 96 LYS C C 13 176.729 0.3 . 1 . . . . . 129 LYS C . 28057 1 447 . 1 . 1 96 96 LYS CA C 13 57.203 0.3 . 1 . . . . . 129 LYS CA . 28057 1 448 . 1 . 1 96 96 LYS CB C 13 30.134 0.3 . 1 . . . . . 129 LYS CB . 28057 1 449 . 1 . 1 96 96 LYS N N 15 116.157 0.3 . 1 . . . . . 129 LYS N . 28057 1 450 . 1 . 1 97 97 PHE H H 1 7.781 0.020 . 1 . . . . . 130 PHE H . 28057 1 451 . 1 . 1 97 97 PHE C C 13 175.129 0.3 . 1 . . . . . 130 PHE C . 28057 1 452 . 1 . 1 97 97 PHE CA C 13 57.560 0.3 . 1 . . . . . 130 PHE CA . 28057 1 453 . 1 . 1 97 97 PHE CB C 13 38.212 0.3 . 1 . . . . . 130 PHE CB . 28057 1 454 . 1 . 1 97 97 PHE N N 15 115.825 0.3 . 1 . . . . . 130 PHE N . 28057 1 455 . 1 . 1 98 98 VAL H H 1 7.307 0.020 . 1 . . . . . 131 VAL H . 28057 1 456 . 1 . 1 98 98 VAL C C 13 176.196 0.3 . 1 . . . . . 131 VAL C . 28057 1 457 . 1 . 1 98 98 VAL CA C 13 67.632 0.3 . 1 . . . . . 131 VAL CA . 28057 1 458 . 1 . 1 98 98 VAL CB C 13 30.761 0.3 . 1 . . . . . 131 VAL CB . 28057 1 459 . 1 . 1 98 98 VAL N N 15 119.677 0.3 . 1 . . . . . 131 VAL N . 28057 1 460 . 1 . 1 99 99 ASP H H 1 8.410 0.020 . 1 . . . . . 132 ASP H . 28057 1 461 . 1 . 1 99 99 ASP C C 13 178.706 0.3 . 1 . . . . . 132 ASP C . 28057 1 462 . 1 . 1 99 99 ASP CA C 13 57.382 0.3 . 1 . . . . . 132 ASP CA . 28057 1 463 . 1 . 1 99 99 ASP CB C 13 38.761 0.3 . 1 . . . . . 132 ASP CB . 28057 1 464 . 1 . 1 99 99 ASP N N 15 117.219 0.3 . 1 . . . . . 132 ASP N . 28057 1 465 . 1 . 1 100 100 LYS H H 1 7.218 0.020 . 1 . . . . . 133 LYS H . 28057 1 466 . 1 . 1 100 100 LYS C C 13 180.510 0.3 . 1 . . . . . 133 LYS C . 28057 1 467 . 1 . 1 100 100 LYS CA C 13 56.917 0.3 . 1 . . . . . 133 LYS CA . 28057 1 468 . 1 . 1 100 100 LYS CB C 13 30.683 0.3 . 1 . . . . . 133 LYS CB . 28057 1 469 . 1 . 1 100 100 LYS N N 15 117.950 0.3 . 1 . . . . . 133 LYS N . 28057 1 470 . 1 . 1 101 101 PHE H H 1 8.418 0.020 . 1 . . . . . 134 PHE H . 28057 1 471 . 1 . 1 101 101 PHE C C 13 178.172 0.3 . 1 . . . . . 134 PHE C . 28057 1 472 . 1 . 1 101 101 PHE CA C 13 57.167 0.3 . 1 . . . . . 134 PHE CA . 28057 1 473 . 1 . 1 101 101 PHE CB C 13 36.957 0.3 . 1 . . . . . 134 PHE CB . 28057 1 474 . 1 . 1 101 101 PHE N N 15 119.786 0.3 . 1 . . . . . 134 PHE N . 28057 1 475 . 1 . 1 102 102 LYS H H 1 8.373 0.020 . 1 . . . . . 135 LYS H . 28057 1 476 . 1 . 1 102 102 LYS C C 13 178.674 0.3 . 1 . . . . . 135 LYS C . 28057 1 477 . 1 . 1 102 102 LYS CA C 13 58.453 0.3 . 1 . . . . . 135 LYS CA . 28057 1 478 . 1 . 1 102 102 LYS CB C 13 31.859 0.3 . 1 . . . . . 135 LYS CB . 28057 1 479 . 1 . 1 102 102 LYS N N 15 116.290 0.3 . 1 . . . . . 135 LYS N . 28057 1 480 . 1 . 1 103 103 GLU H H 1 7.048 0.020 . 1 . . . . . 136 GLU H . 28057 1 481 . 1 . 1 103 103 GLU C C 13 177.027 0.3 . 1 . . . . . 136 GLU C . 28057 1 482 . 1 . 1 103 103 GLU CA C 13 57.417 0.3 . 1 . . . . . 136 GLU CA . 28057 1 483 . 1 . 1 103 103 GLU CB C 13 29.035 0.3 . 1 . . . . . 136 GLU CB . 28057 1 484 . 1 . 1 103 103 GLU N N 15 115.692 0.3 . 1 . . . . . 136 GLU N . 28057 1 485 . 1 . 1 104 104 ILE H H 1 7.880 0.020 . 1 . . . . . 137 ILE H . 28057 1 486 . 1 . 1 104 104 ILE C C 13 175.725 0.3 . 1 . . . . . 137 ILE C . 28057 1 487 . 1 . 1 104 104 ILE CA C 13 62.739 0.3 . 1 . . . . . 137 ILE CA . 28057 1 488 . 1 . 1 104 104 ILE CB C 13 38.369 0.3 . 1 . . . . . 137 ILE CB . 28057 1 489 . 1 . 1 104 104 ILE N N 15 119.209 0.3 . 1 . . . . . 137 ILE N . 28057 1 490 . 1 . 1 105 105 ALA H H 1 8.484 0.020 . 1 . . . . . 138 ALA H . 28057 1 491 . 1 . 1 105 105 ALA C C 13 172.289 0.3 . 1 . . . . . 138 ALA C . 28057 1 492 . 1 . 1 105 105 ALA CA C 13 50.131 0.3 . 1 . . . . . 138 ALA CA . 28057 1 493 . 1 . 1 105 105 ALA CB C 13 19.231 0.3 . 1 . . . . . 138 ALA CB . 28057 1 494 . 1 . 1 105 105 ALA N N 15 122.001 0.3 . 1 . . . . . 138 ALA N . 28057 1 495 . 1 . 1 106 106 PRO C C 13 175.073 0.3 . 1 . . . . . 139 PRO C . 28057 1 496 . 1 . 1 106 106 PRO CA C 13 62.953 0.3 . 1 . . . . . 139 PRO CA . 28057 1 497 . 1 . 1 106 106 PRO CB C 13 30.881 0.3 . 1 . . . . . 139 PRO CB . 28057 1 498 . 1 . 1 107 107 THR H H 1 8.225 0.020 . 1 . . . . . 140 THR H . 28057 1 499 . 1 . 1 107 107 THR C C 13 172.179 0.3 . 1 . . . . . 140 THR C . 28057 1 500 . 1 . 1 107 107 THR CA C 13 61.239 0.3 . 1 . . . . . 140 THR CA . 28057 1 501 . 1 . 1 107 107 THR CB C 13 71.469 0.3 . 1 . . . . . 140 THR CB . 28057 1 502 . 1 . 1 107 107 THR N N 15 120.274 0.3 . 1 . . . . . 140 THR N . 28057 1 503 . 1 . 1 108 108 VAL H H 1 8.269 0.020 . 1 . . . . . 141 VAL H . 28057 1 504 . 1 . 1 108 108 VAL C C 13 173.450 0.3 . 1 . . . . . 141 VAL C . 28057 1 505 . 1 . 1 108 108 VAL CA C 13 57.775 0.3 . 1 . . . . . 141 VAL CA . 28057 1 506 . 1 . 1 108 108 VAL CB C 13 33.898 0.3 . 1 . . . . . 141 VAL CB . 28057 1 507 . 1 . 1 108 108 VAL N N 15 114.031 0.3 . 1 . . . . . 141 VAL N . 28057 1 508 . 1 . 1 109 109 LEU H H 1 6.663 0.020 . 1 . . . . . 142 LEU H . 28057 1 509 . 1 . 1 109 109 LEU C C 13 174.611 0.3 . 1 . . . . . 142 LEU C . 28057 1 510 . 1 . 1 109 109 LEU CA C 13 56.167 0.3 . 1 . . . . . 142 LEU CA . 28057 1 511 . 1 . 1 109 109 LEU CB C 13 43.154 0.3 . 1 . . . . . 142 LEU CB . 28057 1 512 . 1 . 1 109 109 LEU N N 15 119.677 0.3 . 1 . . . . . 142 LEU N . 28057 1 513 . 1 . 1 110 110 PHE H H 1 10.645 0.020 . 1 . . . . . 143 PHE H . 28057 1 514 . 1 . 1 110 110 PHE C C 13 173.842 0.3 . 1 . . . . . 143 PHE C . 28057 1 515 . 1 . 1 110 110 PHE CA C 13 57.024 0.3 . 1 . . . . . 143 PHE CA . 28057 1 516 . 1 . 1 110 110 PHE CB C 13 38.291 0.3 . 1 . . . . . 143 PHE CB . 28057 1 517 . 1 . 1 110 110 PHE N N 15 132.893 0.3 . 1 . . . . . 143 PHE N . 28057 1 518 . 1 . 1 111 111 GLN H H 1 8.765 0.020 . 1 . . . . . 144 GLN H . 28057 1 519 . 1 . 1 111 111 GLN C C 13 175.113 0.3 . 1 . . . . . 144 GLN C . 28057 1 520 . 1 . 1 111 111 GLN CA C 13 53.953 0.3 . 1 . . . . . 144 GLN CA . 28057 1 521 . 1 . 1 111 111 GLN CB C 13 31.702 0.3 . 1 . . . . . 144 GLN CB . 28057 1 522 . 1 . 1 111 111 GLN N N 15 120.407 0.3 . 1 . . . . . 144 GLN N . 28057 1 523 . 1 . 1 112 112 ALA H H 1 8.735 0.020 . 1 . . . . . 145 ALA H . 28057 1 524 . 1 . 1 112 112 ALA C C 13 177.984 0.3 . 1 . . . . . 145 ALA C . 28057 1 525 . 1 . 1 112 112 ALA CA C 13 50.703 0.3 . 1 . . . . . 145 ALA CA . 28057 1 526 . 1 . 1 112 112 ALA CB C 13 19.152 0.3 . 1 . . . . . 145 ALA CB . 28057 1 527 . 1 . 1 112 112 ALA N N 15 127.845 0.3 . 1 . . . . . 145 ALA N . 28057 1 528 . 1 . 1 113 113 SER H H 1 8.691 0.020 . 1 . . . . . 146 SER H . 28057 1 529 . 1 . 1 113 113 SER C C 13 176.086 0.3 . 1 . . . . . 146 SER C . 28057 1 530 . 1 . 1 113 113 SER CA C 13 56.596 0.3 . 1 . . . . . 146 SER CA . 28057 1 531 . 1 . 1 113 113 SER CB C 13 62.998 0.3 . 1 . . . . . 146 SER CB . 28057 1 532 . 1 . 1 113 113 SER N N 15 116.290 0.3 . 1 . . . . . 146 SER N . 28057 1 533 . 1 . 1 114 114 LYS H H 1 8.728 0.020 . 1 . . . . . 147 LYS H . 28057 1 534 . 1 . 1 114 114 LYS C C 13 177.121 0.3 . 1 . . . . . 147 LYS C . 28057 1 535 . 1 . 1 114 114 LYS CA C 13 57.739 0.3 . 1 . . . . . 147 LYS CA . 28057 1 536 . 1 . 1 114 114 LYS CB C 13 31.467 0.3 . 1 . . . . . 147 LYS CB . 28057 1 537 . 1 . 1 114 114 LYS N N 15 124.326 0.3 . 1 . . . . . 147 LYS N . 28057 1 538 . 1 . 1 115 115 ASP H H 1 7.906 0.020 . 1 . . . . . 148 ASP H . 28057 1 539 . 1 . 1 115 115 ASP C C 13 176.305 0.3 . 1 . . . . . 148 ASP C . 28057 1 540 . 1 . 1 115 115 ASP CA C 13 54.882 0.3 . 1 . . . . . 148 ASP CA . 28057 1 541 . 1 . 1 115 115 ASP CB C 13 41.115 0.3 . 1 . . . . . 148 ASP CB . 28057 1 542 . 1 . 1 115 115 ASP N N 15 114.828 0.3 . 1 . . . . . 148 ASP N . 28057 1 543 . 1 . 1 116 116 ASP H H 1 7.115 0.020 . 1 . . . . . 149 ASP H . 28057 1 544 . 1 . 1 116 116 ASP C C 13 175.521 0.3 . 1 . . . . . 149 ASP C . 28057 1 545 . 1 . 1 116 116 ASP CA C 13 53.453 0.3 . 1 . . . . . 149 ASP CA . 28057 1 546 . 1 . 1 116 116 ASP CB C 13 39.154 0.3 . 1 . . . . . 149 ASP CB . 28057 1 547 . 1 . 1 116 116 ASP N N 15 117.286 0.3 . 1 . . . . . 149 ASP N . 28057 1 548 . 1 . 1 117 117 TYR H H 1 8.713 0.020 . 1 . . . . . 150 TYR H . 28057 1 549 . 1 . 1 117 117 TYR C C 13 178.190 0.3 . 1 . . . . . 150 TYR C . 28057 1 550 . 1 . 1 117 117 TYR CA C 13 62.632 0.3 . 1 . . . . . 150 TYR CA . 28057 1 551 . 1 . 1 117 117 TYR CB C 13 37.977 0.3 . 1 . . . . . 150 TYR CB . 28057 1 552 . 1 . 1 117 117 TYR N N 15 126.252 0.3 . 1 . . . . . 150 TYR N . 28057 1 553 . 1 . 1 118 118 TRP H H 1 8.898 0.020 . 1 . . . . . 151 TRP H . 28057 1 554 . 1 . 1 118 118 TRP C C 13 176.996 0.3 . 1 . . . . . 151 TRP C . 28057 1 555 . 1 . 1 118 118 TRP CA C 13 58.453 0.3 . 1 . . . . . 151 TRP CA . 28057 1 556 . 1 . 1 118 118 TRP CB C 13 30.996 0.3 . 1 . . . . . 151 TRP CB . 28057 1 557 . 1 . 1 118 118 TRP N N 15 121.337 0.3 . 1 . . . . . 151 TRP N . 28057 1 558 . 1 . 1 119 119 THR H H 1 8.188 0.020 . 1 . . . . . 152 THR H . 28057 1 559 . 1 . 1 119 119 THR C C 13 177.513 0.3 . 1 . . . . . 152 THR C . 28057 1 560 . 1 . 1 119 119 THR CA C 13 66.454 0.3 . 1 . . . . . 152 THR CA . 28057 1 561 . 1 . 1 119 119 THR CB C 13 66.454 0.3 . 1 . . . . . 152 THR CB . 28057 1 562 . 1 . 1 119 119 THR N N 15 115.957 0.3 . 1 . . . . . 152 THR N . 28057 1 563 . 1 . 1 120 120 SER H H 1 7.122 0.020 . 1 . . . . . 153 SER H . 28057 1 564 . 1 . 1 120 120 SER C C 13 175.886 0.3 . 1 . . . . . 153 SER C . 28057 1 565 . 1 . 1 120 120 SER CA C 13 60.168 0.3 . 1 . . . . . 153 SER CA . 28057 1 566 . 1 . 1 120 120 SER CB C 13 61.979 0.3 . 1 . . . . . 153 SER CB . 28057 1 567 . 1 . 1 120 120 SER N N 15 113.367 0.3 . 1 . . . . . 153 SER N . 28057 1 568 . 1 . 1 121 121 THR H H 1 7.810 0.020 . 1 . . . . . 154 THR H . 28057 1 569 . 1 . 1 121 121 THR C C 13 175.839 0.3 . 1 . . . . . 154 THR C . 28057 1 570 . 1 . 1 121 121 THR CA C 13 67.096 0.3 . 1 . . . . . 154 THR CA . 28057 1 571 . 1 . 1 121 121 THR CB C 13 67.096 0.3 . 1 . . . . . 154 THR CB . 28057 1 572 . 1 . 1 121 121 THR N N 15 122.599 0.3 . 1 . . . . . 154 THR N . 28057 1 573 . 1 . 1 122 122 LYS H H 1 8.143 0.020 . 1 . . . . . 155 LYS H . 28057 1 574 . 1 . 1 122 122 LYS C C 13 177.827 0.3 . 1 . . . . . 155 LYS C . 28057 1 575 . 1 . 1 122 122 LYS CA C 13 60.989 0.3 . 1 . . . . . 155 LYS CA . 28057 1 576 . 1 . 1 122 122 LYS CB C 13 30.447 0.3 . 1 . . . . . 155 LYS CB . 28057 1 577 . 1 . 1 122 122 LYS N N 15 120.341 0.3 . 1 . . . . . 155 LYS N . 28057 1 578 . 1 . 1 123 123 ALA H H 1 7.033 0.020 . 1 . . . . . 156 ALA H . 28057 1 579 . 1 . 1 123 123 ALA C C 13 180.510 0.3 . 1 . . . . . 156 ALA C . 28057 1 580 . 1 . 1 123 123 ALA CA C 13 54.381 0.3 . 1 . . . . . 156 ALA CA . 28057 1 581 . 1 . 1 123 123 ALA CB C 13 16.486 0.3 . 1 . . . . . 156 ALA CB . 28057 1 582 . 1 . 1 123 123 ALA N N 15 118.880 0.3 . 1 . . . . . 156 ALA N . 28057 1 583 . 1 . 1 124 124 ASN H H 1 7.736 0.020 . 1 . . . . . 157 ASN H . 28057 1 584 . 1 . 1 124 124 ASN C C 13 177.325 0.3 . 1 . . . . . 157 ASN C . 28057 1 585 . 1 . 1 124 124 ASN CA C 13 54.810 0.3 . 1 . . . . . 157 ASN CA . 28057 1 586 . 1 . 1 124 124 ASN CB C 13 36.801 0.3 . 1 . . . . . 157 ASN CB . 28057 1 587 . 1 . 1 124 124 ASN N N 15 118.481 0.3 . 1 . . . . . 157 ASN N . 28057 1 588 . 1 . 1 125 125 ILE H H 1 8.277 0.020 . 1 . . . . . 158 ILE H . 28057 1 589 . 1 . 1 125 125 ILE C C 13 177.498 0.3 . 1 . . . . . 158 ILE C . 28057 1 590 . 1 . 1 125 125 ILE CA C 13 65.704 0.3 . 1 . . . . . 158 ILE CA . 28057 1 591 . 1 . 1 125 125 ILE CB C 13 36.686 0.3 . 1 . . . . . 158 ILE CB . 28057 1 592 . 1 . 1 125 125 ILE N N 15 122.997 0.3 . 1 . . . . . 158 ILE N . 28057 1 593 . 1 . 1 126 126 GLU H H 1 8.358 0.020 . 1 . . . . . 159 GLU H . 28057 1 594 . 1 . 1 126 126 GLU C C 13 179.412 0.3 . 1 . . . . . 159 GLU C . 28057 1 595 . 1 . 1 126 126 GLU CA C 13 60.239 0.3 . 1 . . . . . 159 GLU CA . 28057 1 596 . 1 . 1 126 126 GLU CB C 13 28.722 0.3 . 1 . . . . . 159 GLU CB . 28057 1 597 . 1 . 1 126 126 GLU N N 15 118.016 0.3 . 1 . . . . . 159 GLU N . 28057 1 598 . 1 . 1 127 127 SER H H 1 8.158 0.020 . 1 . . . . . 160 SER H . 28057 1 599 . 1 . 1 127 127 SER C C 13 177.480 0.3 . 1 . . . . . 160 SER C . 28057 1 600 . 1 . 1 127 127 SER CA C 13 60.560 0.3 . 1 . . . . . 160 SER CA . 28057 1 601 . 1 . 1 127 127 SER CB C 13 62.685 0.3 . 1 . . . . . 160 SER CB . 28057 1 602 . 1 . 1 127 127 SER N N 15 115.028 0.3 . 1 . . . . . 160 SER N . 28057 1 603 . 1 . 1 128 128 LEU H H 1 7.670 0.020 . 1 . . . . . 161 LEU H . 28057 1 604 . 1 . 1 128 128 LEU C C 13 177.765 0.3 . 1 . . . . . 161 LEU C . 28057 1 605 . 1 . 1 128 128 LEU CA C 13 57.275 0.3 . 1 . . . . . 161 LEU CA . 28057 1 606 . 1 . 1 128 128 LEU CB C 13 40.137 0.3 . 1 . . . . . 161 LEU CB . 28057 1 607 . 1 . 1 128 128 LEU N N 15 119.599 0.3 . 1 . . . . . 161 LEU N . 28057 1 608 . 1 . 1 129 129 ALA H H 1 8.654 0.020 . 1 . . . . . 162 ALA H . 28057 1 609 . 1 . 1 129 129 ALA C C 13 180.008 0.3 . 1 . . . . . 162 ALA C . 28057 1 610 . 1 . 1 129 129 ALA CA C 13 54.310 0.3 . 1 . . . . . 162 ALA CA . 28057 1 611 . 1 . 1 129 129 ALA CB C 13 18.603 0.3 . 1 . . . . . 162 ALA CB . 28057 1 612 . 1 . 1 129 129 ALA N N 15 117.086 0.3 . 1 . . . . . 162 ALA N . 28057 1 613 . 1 . 1 130 130 SER H H 1 7.744 0.020 . 1 . . . . . 163 SER H . 28057 1 614 . 1 . 1 130 130 SER C C 13 175.995 0.3 . 1 . . . . . 163 SER C . 28057 1 615 . 1 . 1 130 130 SER CA C 13 59.989 0.3 . 1 . . . . . 163 SER CA . 28057 1 616 . 1 . 1 130 130 SER CB C 13 62.214 0.3 . 1 . . . . . 163 SER CB . 28057 1 617 . 1 . 1 130 130 SER N N 15 110.976 0.3 . 1 . . . . . 163 SER N . 28057 1 618 . 1 . 1 131 131 ALA H H 1 7.551 0.020 . 1 . . . . . 164 ALA H . 28057 1 619 . 1 . 1 131 131 ALA C C 13 175.301 0.3 . 1 . . . . . 164 ALA C . 28057 1 620 . 1 . 1 131 131 ALA CA C 13 52.667 0.3 . 1 . . . . . 164 ALA CA . 28057 1 621 . 1 . 1 131 131 ALA CB C 13 16.015 0.3 . 1 . . . . . 164 ALA CB . 28057 1 622 . 1 . 1 131 131 ALA N N 15 124.259 0.3 . 1 . . . . . 164 ALA N . 28057 1 623 . 1 . 1 132 132 PHE H H 1 7.033 0.020 . 1 . . . . . 165 PHE H . 28057 1 624 . 1 . 1 132 132 PHE C C 13 176.980 0.3 . 1 . . . . . 165 PHE C . 28057 1 625 . 1 . 1 132 132 PHE CA C 13 56.239 0.3 . 1 . . . . . 165 PHE CA . 28057 1 626 . 1 . 1 132 132 PHE CB C 13 37.742 0.3 . 1 . . . . . 165 PHE CB . 28057 1 627 . 1 . 1 132 132 PHE N N 15 108.519 0.3 . 1 . . . . . 165 PHE N . 28057 1 628 . 1 . 1 133 133 GLY H H 1 7.240 0.020 . 1 . . . . . 166 GLY H . 28057 1 629 . 1 . 1 133 133 GLY C C 13 174.501 0.3 . 1 . . . . . 166 GLY C . 28057 1 630 . 1 . 1 133 133 GLY CA C 13 43.631 0.3 . 1 . . . . . 166 GLY CA . 28057 1 631 . 1 . 1 133 133 GLY N N 15 107.921 0.3 . 1 . . . . . 166 GLY N . 28057 1 632 . 1 . 1 134 134 GLU H H 1 8.565 0.020 . 1 . . . . . 167 GLU H . 28057 1 633 . 1 . 1 134 134 GLU C C 13 179.381 0.3 . 1 . . . . . 167 GLU C . 28057 1 634 . 1 . 1 134 134 GLU CA C 13 59.417 0.3 . 1 . . . . . 167 GLU CA . 28057 1 635 . 1 . 1 134 134 GLU CB C 13 28.879 0.3 . 1 . . . . . 167 GLU CB . 28057 1 636 . 1 . 1 134 134 GLU N N 15 118.747 0.3 . 1 . . . . . 167 GLU N . 28057 1 637 . 1 . 1 135 135 THR H H 1 8.457 0.020 . 1 . . . . . 168 THR H . 28057 1 638 . 1 . 1 135 135 THR C C 13 176.949 0.3 . 1 . . . . . 168 THR C . 28057 1 639 . 1 . 1 135 135 THR CA C 13 65.632 0.3 . 1 . . . . . 168 THR CA . 28057 1 640 . 1 . 1 135 135 THR CB C 13 67.626 0.3 . 1 . . . . . 168 THR CB . 28057 1 641 . 1 . 1 135 135 THR N N 15 114.668 0.3 . 1 . . . . . 168 THR N . 28057 1 642 . 1 . 1 136 136 SER H H 1 7.603 0.020 . 1 . . . . . 169 SER H . 28057 1 643 . 1 . 1 136 136 SER C C 13 176.511 0.3 . 1 . . . . . 169 SER C . 28057 1 644 . 1 . 1 136 136 SER CA C 13 60.953 0.3 . 1 . . . . . 169 SER CA . 28057 1 645 . 1 . 1 136 136 SER CB C 13 61.743 0.3 . 1 . . . . . 169 SER CB . 28057 1 646 . 1 . 1 136 136 SER N N 15 118.680 0.3 . 1 . . . . . 169 SER N . 28057 1 647 . 1 . 1 137 137 THR H H 1 8.025 0.020 . 1 . . . . . 170 THR H . 28057 1 648 . 1 . 1 137 137 THR C C 13 176.527 0.3 . 1 . . . . . 170 THR C . 28057 1 649 . 1 . 1 137 137 THR CA C 13 66.954 0.3 . 1 . . . . . 170 THR CA . 28057 1 650 . 1 . 1 137 137 THR CB C 13 67.548 0.3 . 1 . . . . . 170 THR CB . 28057 1 651 . 1 . 1 137 137 THR N N 15 117.817 0.3 . 1 . . . . . 170 THR N . 28057 1 652 . 1 . 1 138 138 GLN H H 1 7.832 0.020 . 1 . . . . . 171 GLN H . 28057 1 653 . 1 . 1 138 138 GLN C C 13 178.392 0.3 . 1 . . . . . 171 GLN C . 28057 1 654 . 1 . 1 138 138 GLN CA C 13 58.453 0.3 . 1 . . . . . 171 GLN CA . 28057 1 655 . 1 . 1 138 138 GLN CB C 13 26.839 0.3 . 1 . . . . . 171 GLN CB . 28057 1 656 . 1 . 1 138 138 GLN N N 15 119.411 0.3 . 1 . . . . . 171 GLN N . 28057 1 657 . 1 . 1 139 139 LYS H H 1 8.107 0.020 . 1 . . . . . 172 LYS H . 28057 1 658 . 1 . 1 139 139 LYS C C 13 178.863 0.3 . 1 . . . . . 172 LYS C . 28057 1 659 . 1 . 1 139 139 LYS CA C 13 58.275 0.3 . 1 . . . . . 172 LYS CA . 28057 1 660 . 1 . 1 139 139 LYS CB C 13 30.839 0.3 . 1 . . . . . 172 LYS CB . 28057 1 661 . 1 . 1 139 139 LYS N N 15 121.034 0.3 . 1 . . . . . 172 LYS N . 28057 1 662 . 1 . 1 140 140 ALA H H 1 8.669 0.020 . 1 . . . . . 173 ALA H . 28057 1 663 . 1 . 1 140 140 ALA C C 13 179.239 0.3 . 1 . . . . . 173 ALA C . 28057 1 664 . 1 . 1 140 140 ALA CA C 13 55.132 0.3 . 1 . . . . . 173 ALA CA . 28057 1 665 . 1 . 1 140 140 ALA CB C 13 16.486 0.3 . 1 . . . . . 173 ALA CB . 28057 1 666 . 1 . 1 140 140 ALA N N 15 120.009 0.3 . 1 . . . . . 173 ALA N . 28057 1 667 . 1 . 1 141 141 LYS H H 1 8.050 0.020 . 1 . . . . . 174 LYS H . 28057 1 668 . 1 . 1 141 141 LYS C C 13 180.097 0.3 . 1 . . . . . 174 LYS C . 28057 1 669 . 1 . 1 141 141 LYS CA C 13 59.989 0.3 . 1 . . . . . 174 LYS CA . 28057 1 670 . 1 . 1 141 141 LYS CB C 13 31.232 0.3 . 1 . . . . . 174 LYS CB . 28057 1 671 . 1 . 1 141 141 LYS N N 15 116.146 0.3 . 1 . . . . . 174 LYS N . 28057 1 672 . 1 . 1 142 142 GLU H H 1 8.010 0.020 . 1 . . . . . 175 GLU H . 28057 1 673 . 1 . 1 142 142 GLU C C 13 179.961 0.3 . 1 . . . . . 175 GLU C . 28057 1 674 . 1 . 1 142 142 GLU CA C 13 58.882 0.3 . 1 . . . . . 175 GLU CA . 28057 1 675 . 1 . 1 142 142 GLU CB C 13 28.643 0.3 . 1 . . . . . 175 GLU CB . 28057 1 676 . 1 . 1 142 142 GLU N N 15 120.673 0.3 . 1 . . . . . 175 GLU N . 28057 1 677 . 1 . 1 143 143 GLU H H 1 8.425 0.020 . 1 . . . . . 176 GLU H . 28057 1 678 . 1 . 1 143 143 GLU C C 13 180.589 0.3 . 1 . . . . . 176 GLU C . 28057 1 679 . 1 . 1 143 143 GLU CA C 13 58.025 0.3 . 1 . . . . . 176 GLU CA . 28057 1 680 . 1 . 1 143 143 GLU CB C 13 28.764 0.3 . 1 . . . . . 176 GLU CB . 28057 1 681 . 1 . 1 143 143 GLU N N 15 118.880 0.3 . 1 . . . . . 176 GLU N . 28057 1 682 . 1 . 1 144 144 LEU H H 1 9.076 0.020 . 1 . . . . . 177 LEU H . 28057 1 683 . 1 . 1 144 144 LEU C C 13 178.235 0.3 . 1 . . . . . 177 LEU C . 28057 1 684 . 1 . 1 144 144 LEU CA C 13 57.632 0.3 . 1 . . . . . 177 LEU CA . 28057 1 685 . 1 . 1 144 144 LEU CB C 13 40.722 0.3 . 1 . . . . . 177 LEU CB . 28057 1 686 . 1 . 1 144 144 LEU N N 15 120.872 0.3 . 1 . . . . . 177 LEU N . 28057 1 687 . 1 . 1 145 145 ALA H H 1 7.788 0.020 . 1 . . . . . 178 ALA H . 28057 1 688 . 1 . 1 145 145 ALA C C 13 181.452 0.3 . 1 . . . . . 178 ALA C . 28057 1 689 . 1 . 1 145 145 ALA CA C 13 54.703 0.3 . 1 . . . . . 178 ALA CA . 28057 1 690 . 1 . 1 145 145 ALA CB C 13 16.721 0.3 . 1 . . . . . 178 ALA CB . 28057 1 691 . 1 . 1 145 145 ALA N N 15 120.673 0.3 . 1 . . . . . 178 ALA N . 28057 1 692 . 1 . 1 146 146 LYS H H 1 7.301 0.020 . 1 . . . . . 179 LYS H . 28057 1 693 . 1 . 1 146 146 LYS C C 13 180.149 0.3 . 1 . . . . . 179 LYS C . 28057 1 694 . 1 . 1 146 146 LYS CA C 13 59.346 0.3 . 1 . . . . . 179 LYS CA . 28057 1 695 . 1 . 1 146 146 LYS CB C 13 31.545 0.3 . 1 . . . . . 179 LYS CB . 28057 1 696 . 1 . 1 146 146 LYS N N 15 118.329 0.3 . 1 . . . . . 179 LYS N . 28057 1 697 . 1 . 1 147 147 LEU H H 1 7.840 0.020 . 1 . . . . . 180 LEU H . 28057 1 698 . 1 . 1 147 147 LEU C C 13 178.769 0.3 . 1 . . . . . 180 LEU C . 28057 1 699 . 1 . 1 147 147 LEU CA C 13 57.596 0.3 . 1 . . . . . 180 LEU CA . 28057 1 700 . 1 . 1 147 147 LEU CB C 13 40.644 0.3 . 1 . . . . . 180 LEU CB . 28057 1 701 . 1 . 1 147 147 LEU N N 15 120.540 0.3 . 1 . . . . . 180 LEU N . 28057 1 702 . 1 . 1 148 148 ASP H H 1 9.076 0.020 . 1 . . . . . 181 ASP H . 28057 1 703 . 1 . 1 148 148 ASP C C 13 179.192 0.3 . 1 . . . . . 181 ASP C . 28057 1 704 . 1 . 1 148 148 ASP CA C 13 57.453 0.3 . 1 . . . . . 181 ASP CA . 28057 1 705 . 1 . 1 148 148 ASP CB C 13 40.095 0.3 . 1 . . . . . 181 ASP CB . 28057 1 706 . 1 . 1 148 148 ASP N N 15 119.079 0.3 . 1 . . . . . 181 ASP N . 28057 1 707 . 1 . 1 149 149 LYS H H 1 7.455 0.020 . 1 . . . . . 182 LYS H . 28057 1 708 . 1 . 1 149 149 LYS C C 13 179.114 0.3 . 1 . . . . . 182 LYS C . 28057 1 709 . 1 . 1 149 149 LYS CA C 13 59.060 0.3 . 1 . . . . . 182 LYS CA . 28057 1 710 . 1 . 1 149 149 LYS CB C 13 31.153 0.3 . 1 . . . . . 182 LYS CB . 28057 1 711 . 1 . 1 149 149 LYS N N 15 119.544 0.3 . 1 . . . . . 182 LYS N . 28057 1 712 . 1 . 1 150 150 SER H H 1 7.707 0.020 . 1 . . . . . 183 SER H . 28057 1 713 . 1 . 1 150 150 SER C C 13 176.730 0.3 . 1 . . . . . 183 SER C . 28057 1 714 . 1 . 1 150 150 SER CA C 13 61.739 0.3 . 1 . . . . . 183 SER CA . 28057 1 715 . 1 . 1 150 150 SER CB C 13 62.057 0.3 . 1 . . . . . 183 SER CB . 28057 1 716 . 1 . 1 150 150 SER N N 15 116.555 0.3 . 1 . . . . . 183 SER N . 28057 1 717 . 1 . 1 151 151 ILE H H 1 8.654 0.020 . 1 . . . . . 184 ILE H . 28057 1 718 . 1 . 1 151 151 ILE C C 13 177.137 0.3 . 1 . . . . . 184 ILE C . 28057 1 719 . 1 . 1 151 151 ILE CA C 13 65.418 0.3 . 1 . . . . . 184 ILE CA . 28057 1 720 . 1 . 1 151 151 ILE CB C 13 37.114 0.3 . 1 . . . . . 184 ILE CB . 28057 1 721 . 1 . 1 151 151 ILE N N 15 122.200 0.3 . 1 . . . . . 184 ILE N . 28057 1 722 . 1 . 1 152 152 GLN H H 1 8.091 0.020 . 1 . . . . . 185 GLN H . 28057 1 723 . 1 . 1 152 152 GLN C C 13 178.878 0.3 . 1 . . . . . 185 GLN C . 28057 1 724 . 1 . 1 152 152 GLN CA C 13 58.096 0.3 . 1 . . . . . 185 GLN CA . 28057 1 725 . 1 . 1 152 152 GLN CB C 13 27.310 0.3 . 1 . . . . . 185 GLN CB . 28057 1 726 . 1 . 1 152 152 GLN N N 15 117.817 0.3 . 1 . . . . . 185 GLN N . 28057 1 727 . 1 . 1 153 153 GLU H H 1 7.655 0.020 . 1 . . . . . 186 GLU H . 28057 1 728 . 1 . 1 153 153 GLU C C 13 179.098 0.3 . 1 . . . . . 186 GLU C . 28057 1 729 . 1 . 1 153 153 GLU CA C 13 59.080 0.3 . 1 . . . . . 186 GLU CA . 28057 1 730 . 1 . 1 153 153 GLU CB C 13 28.643 0.3 . 1 . . . . . 186 GLU CB . 28057 1 731 . 1 . 1 153 153 GLU N N 15 119.477 0.3 . 1 . . . . . 186 GLU N . 28057 1 732 . 1 . 1 154 154 VAL H H 1 7.300 0.020 . 1 . . . . . 187 VAL H . 28057 1 733 . 1 . 1 154 154 VAL C C 13 177.231 0.3 . 1 . . . . . 187 VAL C . 28057 1 734 . 1 . 1 154 154 VAL CA C 13 65.596 0.3 . 1 . . . . . 187 VAL CA . 28057 1 735 . 1 . 1 154 154 VAL CB C 13 30.960 0.3 . 1 . . . . . 187 VAL CB . 28057 1 736 . 1 . 1 154 154 VAL N N 15 119.278 0.3 . 1 . . . . . 187 VAL N . 28057 1 737 . 1 . 1 155 155 ALA H H 1 8.943 0.020 . 1 . . . . . 188 ALA H . 28057 1 738 . 1 . 1 155 155 ALA C C 13 180.353 0.3 . 1 . . . . . 188 ALA C . 28057 1 739 . 1 . 1 155 155 ALA CA C 13 54.703 0.3 . 1 . . . . . 188 ALA CA . 28057 1 740 . 1 . 1 155 155 ALA CB C 13 17.192 0.3 . 1 . . . . . 188 ALA CB . 28057 1 741 . 1 . 1 155 155 ALA N N 15 121.403 0.3 . 1 . . . . . 188 ALA N . 28057 1 742 . 1 . 1 156 156 THR H H 1 8.203 0.020 . 1 . . . . . 189 THR H . 28057 1 743 . 1 . 1 156 156 THR C C 13 177.278 0.3 . 1 . . . . . 189 THR C . 28057 1 744 . 1 . 1 156 156 THR CA C 13 65.918 0.3 . 1 . . . . . 189 THR CA . 28057 1 745 . 1 . 1 156 156 THR CB C 13 68.332 0.3 . 1 . . . . . 189 THR CB . 28057 1 746 . 1 . 1 156 156 THR N N 15 111.773 0.3 . 1 . . . . . 189 THR N . 28057 1 747 . 1 . 1 157 157 LYS H H 1 7.070 0.020 . 1 . . . . . 190 LYS H . 28057 1 748 . 1 . 1 157 157 LYS C C 13 179.302 0.3 . 1 . . . . . 190 LYS C . 28057 1 749 . 1 . 1 157 157 LYS CA C 13 58.703 0.3 . 1 . . . . . 190 LYS CA . 28057 1 750 . 1 . 1 157 157 LYS CB C 13 30.996 0.3 . 1 . . . . . 190 LYS CB . 28057 1 751 . 1 . 1 157 157 LYS N N 15 121.536 0.3 . 1 . . . . . 190 LYS N . 28057 1 752 . 1 . 1 158 158 ASN H H 1 7.855 0.020 . 1 . . . . . 191 ASN H . 28057 1 753 . 1 . 1 158 158 ASN C C 13 178.777 0.3 . 1 . . . . . 191 ASN C . 28057 1 754 . 1 . 1 158 158 ASN CA C 13 53.917 0.3 . 1 . . . . . 191 ASN CA . 28057 1 755 . 1 . 1 158 158 ASN CB C 13 36.986 0.3 . 1 . . . . . 191 ASN CB . 28057 1 756 . 1 . 1 158 158 ASN N N 15 117.568 0.3 . 1 . . . . . 191 ASN N . 28057 1 757 . 1 . 1 159 159 GLU H H 1 8.166 0.020 . 1 . . . . . 192 GLU H . 28057 1 758 . 1 . 1 159 159 GLU C C 13 177.984 0.3 . 1 . . . . . 192 GLU C . 28057 1 759 . 1 . 1 159 159 GLU CA C 13 58.775 0.3 . 1 . . . . . 192 GLU CA . 28057 1 760 . 1 . 1 159 159 GLU CB C 13 28.565 0.3 . 1 . . . . . 192 GLU CB . 28057 1 761 . 1 . 1 159 159 GLU N N 15 121.337 0.3 . 1 . . . . . 192 GLU N . 28057 1 762 . 1 . 1 160 160 SER H H 1 7.277 0.020 . 1 . . . . . 193 SER H . 28057 1 763 . 1 . 1 160 160 SER C C 13 173.685 0.3 . 1 . . . . . 193 SER C . 28057 1 764 . 1 . 1 160 160 SER CA C 13 57.703 0.3 . 1 . . . . . 193 SER CA . 28057 1 765 . 1 . 1 160 160 SER CB C 13 62.998 0.3 . 1 . . . . . 193 SER CB . 28057 1 766 . 1 . 1 160 160 SER N N 15 110.578 0.3 . 1 . . . . . 193 SER N . 28057 1 767 . 1 . 1 161 161 SER H H 1 7.396 0.020 . 1 . . . . . 194 SER H . 28057 1 768 . 1 . 1 161 161 SER C C 13 174.329 0.3 . 1 . . . . . 194 SER C . 28057 1 769 . 1 . 1 161 161 SER CA C 13 56.203 0.3 . 1 . . . . . 194 SER CA . 28057 1 770 . 1 . 1 161 161 SER CB C 13 63.861 0.3 . 1 . . . . . 194 SER CB . 28057 1 771 . 1 . 1 161 161 SER N N 15 115.426 0.3 . 1 . . . . . 194 SER N . 28057 1 772 . 1 . 1 162 162 ASP H H 1 8.528 0.020 . 1 . . . . . 195 ASP H . 28057 1 773 . 1 . 1 162 162 ASP C C 13 176.243 0.3 . 1 . . . . . 195 ASP C . 28057 1 774 . 1 . 1 162 162 ASP CA C 13 52.667 0.3 . 1 . . . . . 195 ASP CA . 28057 1 775 . 1 . 1 162 162 ASP CB C 13 40.252 0.3 . 1 . . . . . 195 ASP CB . 28057 1 776 . 1 . 1 162 162 ASP N N 15 124.990 0.3 . 1 . . . . . 195 ASP N . 28057 1 777 . 1 . 1 163 163 LYS H H 1 7.662 0.020 . 1 . . . . . 196 LYS H . 28057 1 778 . 1 . 1 163 163 LYS C C 13 175.646 0.3 . 1 . . . . . 196 LYS C . 28057 1 779 . 1 . 1 163 163 LYS CA C 13 55.382 0.3 . 1 . . . . . 196 LYS CA . 28057 1 780 . 1 . 1 163 163 LYS CB C 13 32.016 0.3 . 1 . . . . . 196 LYS CB . 28057 1 781 . 1 . 1 163 163 LYS N N 15 119.450 0.3 . 1 . . . . . 196 LYS N . 28057 1 782 . 1 . 1 164 164 LYS H H 1 9.860 0.020 . 1 . . . . . 197 LYS H . 28057 1 783 . 1 . 1 164 164 LYS C C 13 175.945 0.3 . 1 . . . . . 197 LYS C . 28057 1 784 . 1 . 1 164 164 LYS CA C 13 55.096 0.3 . 1 . . . . . 197 LYS CA . 28057 1 785 . 1 . 1 164 164 LYS CB C 13 33.193 0.3 . 1 . . . . . 197 LYS CB . 28057 1 786 . 1 . 1 164 164 LYS N N 15 122.267 0.3 . 1 . . . . . 197 LYS N . 28057 1 787 . 1 . 1 165 165 ALA H H 1 9.771 0.020 . 1 . . . . . 198 ALA H . 28057 1 788 . 1 . 1 165 165 ALA C C 13 176.887 0.3 . 1 . . . . . 198 ALA C . 28057 1 789 . 1 . 1 165 165 ALA CA C 13 49.453 0.3 . 1 . . . . . 198 ALA CA . 28057 1 790 . 1 . 1 165 165 ALA CB C 13 21.349 0.3 . 1 . . . . . 198 ALA CB . 28057 1 791 . 1 . 1 165 165 ALA N N 15 125.654 0.3 . 1 . . . . . 198 ALA N . 28057 1 792 . 1 . 1 166 166 LEU H H 1 8.521 0.020 . 1 . . . . . 199 LEU H . 28057 1 793 . 1 . 1 166 166 LEU C C 13 172.760 0.3 . 1 . . . . . 199 LEU C . 28057 1 794 . 1 . 1 166 166 LEU CA C 13 52.346 0.3 . 1 . . . . . 199 LEU CA . 28057 1 795 . 1 . 1 166 166 LEU CB C 13 44.723 0.3 . 1 . . . . . 199 LEU CB . 28057 1 796 . 1 . 1 166 166 LEU N N 15 127.912 0.3 . 1 . . . . . 199 LEU N . 28057 1 797 . 1 . 1 167 167 ALA H H 1 8.565 0.020 . 1 . . . . . 200 ALA H . 28057 1 798 . 1 . 1 167 167 ALA C C 13 175.333 0.3 . 1 . . . . . 200 ALA C . 28057 1 799 . 1 . 1 167 167 ALA CA C 13 49.953 0.3 . 1 . . . . . 200 ALA CA . 28057 1 800 . 1 . 1 167 167 ALA CB C 13 18.211 0.3 . 1 . . . . . 200 ALA CB . 28057 1 801 . 1 . 1 167 167 ALA N N 15 129.771 0.3 . 1 . . . . . 200 ALA N . 28057 1 802 . 1 . 1 168 168 ILE H H 1 8.728 0.020 . 1 . . . . . 201 ILE H . 28057 1 803 . 1 . 1 168 168 ILE C C 13 174.862 0.3 . 1 . . . . . 201 ILE C . 28057 1 804 . 1 . 1 168 168 ILE CA C 13 57.203 0.3 . 1 . . . . . 201 ILE CA . 28057 1 805 . 1 . 1 168 168 ILE CB C 13 41.507 0.3 . 1 . . . . . 201 ILE CB . 28057 1 806 . 1 . 1 168 168 ILE N N 15 114.164 0.3 . 1 . . . . . 201 ILE N . 28057 1 807 . 1 . 1 169 169 LEU H H 1 9.535 0.020 . 1 . . . . . 202 LEU H . 28057 1 808 . 1 . 1 169 169 LEU C C 13 177.059 0.3 . 1 . . . . . 202 LEU C . 28057 1 809 . 1 . 1 169 169 LEU CA C 13 52.131 0.3 . 1 . . . . . 202 LEU CA . 28057 1 810 . 1 . 1 169 169 LEU CB C 13 45.429 0.3 . 1 . . . . . 202 LEU CB . 28057 1 811 . 1 . 1 169 169 LEU N N 15 120.938 0.3 . 1 . . . . . 202 LEU N . 28057 1 812 . 1 . 1 170 170 LEU H H 1 8.210 0.020 . 1 . . . . . 203 LEU H . 28057 1 813 . 1 . 1 170 170 LEU C C 13 176.039 0.3 . 1 . . . . . 203 LEU C . 28057 1 814 . 1 . 1 170 170 LEU CA C 13 53.203 0.3 . 1 . . . . . 203 LEU CA . 28057 1 815 . 1 . 1 170 170 LEU CB C 13 42.762 0.3 . 1 . . . . . 203 LEU CB . 28057 1 816 . 1 . 1 170 170 LEU N N 15 122.665 0.3 . 1 . . . . . 203 LEU N . 28057 1 817 . 1 . 1 171 171 ASN H H 1 8.900 0.020 . 1 . . . . . 204 ASN H . 28057 1 818 . 1 . 1 171 171 ASN C C 13 173.764 0.3 . 1 . . . . . 204 ASN C . 28057 1 819 . 1 . 1 171 171 ASN CA C 13 52.167 0.3 . 1 . . . . . 204 ASN CA . 28057 1 820 . 1 . 1 171 171 ASN CB C 13 40.644 0.3 . 1 . . . . . 204 ASN CB . 28057 1 821 . 1 . 1 171 171 ASN N N 15 121.106 0.3 . 1 . . . . . 204 ASN N . 28057 1 822 . 1 . 1 172 172 GLU H H 1 7.921 0.020 . 1 . . . . . 205 GLU H . 28057 1 823 . 1 . 1 172 172 GLU C C 13 175.474 0.3 . 1 . . . . . 205 GLU C . 28057 1 824 . 1 . 1 172 172 GLU CA C 13 56.810 0.3 . 1 . . . . . 205 GLU CA . 28057 1 825 . 1 . 1 172 172 GLU CB C 13 27.310 0.3 . 1 . . . . . 205 GLU CB . 28057 1 826 . 1 . 1 172 172 GLU N N 15 123.529 0.3 . 1 . . . . . 205 GLU N . 28057 1 827 . 1 . 1 173 173 GLY H H 1 8.595 0.020 . 1 . . . . . 206 GLY H . 28057 1 828 . 1 . 1 173 173 GLY C C 13 173.152 0.3 . 1 . . . . . 206 GLY C . 28057 1 829 . 1 . 1 173 173 GLY CA C 13 45.417 0.3 . 1 . . . . . 206 GLY CA . 28057 1 830 . 1 . 1 173 173 GLY N N 15 105.464 0.3 . 1 . . . . . 206 GLY N . 28057 1 831 . 1 . 1 174 174 LYS H H 1 7.559 0.020 . 1 . . . . . 207 LYS H . 28057 1 832 . 1 . 1 174 174 LYS C C 13 175.113 0.3 . 1 . . . . . 207 LYS C . 28057 1 833 . 1 . 1 174 174 LYS CA C 13 53.524 0.3 . 1 . . . . . 207 LYS CA . 28057 1 834 . 1 . 1 174 174 LYS CB C 13 33.428 0.3 . 1 . . . . . 207 LYS CB . 28057 1 835 . 1 . 1 174 174 LYS N N 15 118.149 0.3 . 1 . . . . . 207 LYS N . 28057 1 836 . 1 . 1 175 175 MET H H 1 8.684 0.020 . 1 . . . . . 208 MET H . 28057 1 837 . 1 . 1 175 175 MET C C 13 175.160 0.3 . 1 . . . . . 208 MET C . 28057 1 838 . 1 . 1 175 175 MET CA C 13 53.810 0.3 . 1 . . . . . 208 MET CA . 28057 1 839 . 1 . 1 175 175 MET CB C 13 35.467 0.3 . 1 . . . . . 208 MET CB . 28057 1 840 . 1 . 1 175 175 MET N N 15 119.278 0.3 . 1 . . . . . 208 MET N . 28057 1 841 . 1 . 1 176 176 ALA H H 1 8.476 0.020 . 1 . . . . . 209 ALA H . 28057 1 842 . 1 . 1 176 176 ALA C C 13 175.066 0.3 . 1 . . . . . 209 ALA C . 28057 1 843 . 1 . 1 176 176 ALA CA C 13 50.096 0.3 . 1 . . . . . 209 ALA CA . 28057 1 844 . 1 . 1 176 176 ALA CB C 13 21.113 0.3 . 1 . . . . . 209 ALA CB . 28057 1 845 . 1 . 1 176 176 ALA N N 15 122.931 0.3 . 1 . . . . . 209 ALA N . 28057 1 846 . 1 . 1 177 177 ALA H H 1 8.774 0.020 . 1 . . . . . 210 ALA H . 28057 1 847 . 1 . 1 177 177 ALA C C 13 176.792 0.3 . 1 . . . . . 210 ALA C . 28057 1 848 . 1 . 1 177 177 ALA CA C 13 50.453 0.3 . 1 . . . . . 210 ALA CA . 28057 1 849 . 1 . 1 177 177 ALA CB C 13 21.274 0.3 . 1 . . . . . 210 ALA CB . 28057 1 850 . 1 . 1 177 177 ALA N N 15 123.329 0.3 . 1 . . . . . 210 ALA N . 28057 1 851 . 1 . 1 178 178 PHE H H 1 7.322 0.020 . 1 . . . . . 211 PHE H . 28057 1 852 . 1 . 1 178 178 PHE C C 13 174.909 0.3 . 1 . . . . . 211 PHE C . 28057 1 853 . 1 . 1 178 178 PHE CA C 13 56.703 0.3 . 1 . . . . . 211 PHE CA . 28057 1 854 . 1 . 1 178 178 PHE CB C 13 42.683 0.3 . 1 . . . . . 211 PHE CB . 28057 1 855 . 1 . 1 178 178 PHE N N 15 115.692 0.3 . 1 . . . . . 211 PHE N . 28057 1 856 . 1 . 1 179 179 GLY H H 1 8.972 0.020 . 1 . . . . . 212 GLY H . 28057 1 857 . 1 . 1 179 179 GLY C C 13 173.215 0.3 . 1 . . . . . 212 GLY C . 28057 1 858 . 1 . 1 179 179 GLY CA C 13 42.667 0.3 . 1 . . . . . 212 GLY CA . 28057 1 859 . 1 . 1 179 179 GLY N N 15 106.660 0.3 . 1 . . . . . 212 GLY N . 28057 1 860 . 1 . 1 180 180 ALA H H 1 8.513 0.020 . 1 . . . . . 213 ALA H . 28057 1 861 . 1 . 1 180 180 ALA C C 13 178.078 0.3 . 1 . . . . . 213 ALA C . 28057 1 862 . 1 . 1 180 180 ALA CA C 13 54.060 0.3 . 1 . . . . . 213 ALA CA . 28057 1 863 . 1 . 1 180 180 ALA CB C 13 18.133 0.3 . 1 . . . . . 213 ALA CB . 28057 1 864 . 1 . 1 180 180 ALA N N 15 120.141 0.3 . 1 . . . . . 213 ALA N . 28057 1 865 . 1 . 1 181 181 LYS H H 1 8.104 0.020 . 1 . . . . . 214 LYS H . 28057 1 866 . 1 . 1 181 181 LYS C C 13 174.815 0.3 . 1 . . . . . 214 LYS C . 28057 1 867 . 1 . 1 181 181 LYS CA C 13 54.953 0.3 . 1 . . . . . 214 LYS CA . 28057 1 868 . 1 . 1 181 181 LYS CB C 13 30.134 0.3 . 1 . . . . . 214 LYS CB . 28057 1 869 . 1 . 1 181 181 LYS N N 15 116.682 0.3 . 1 . . . . . 214 LYS N . 28057 1 870 . 1 . 1 182 182 SER H H 1 7.914 0.020 . 1 . . . . . 215 SER H . 28057 1 871 . 1 . 1 182 182 SER C C 13 176.352 0.3 . 1 . . . . . 215 SER C . 28057 1 872 . 1 . 1 182 182 SER CA C 13 57.417 0.3 . 1 . . . . . 215 SER CA . 28057 1 873 . 1 . 1 182 182 SER CB C 13 66.685 0.3 . 1 . . . . . 215 SER CB . 28057 1 874 . 1 . 1 182 182 SER N N 15 114.496 0.3 . 1 . . . . . 215 SER N . 28057 1 875 . 1 . 1 183 183 ARG C C 13 176.027 0.3 . 1 . . . . . 216 ARG C . 28057 1 876 . 1 . 1 183 183 ARG CA C 13 57.060 0.3 . 1 . . . . . 216 ARG CA . 28057 1 877 . 1 . 1 183 183 ARG CB C 13 28.136 0.3 . 1 . . . . . 216 ARG CB . 28057 1 878 . 1 . 1 184 184 PHE H H 1 7.744 0.020 . 1 . . . . . 217 PHE H . 28057 1 879 . 1 . 1 184 184 PHE C C 13 175.694 0.3 . 1 . . . . . 217 PHE C . 28057 1 880 . 1 . 1 184 184 PHE CA C 13 56.703 0.3 . 1 . . . . . 217 PHE CA . 28057 1 881 . 1 . 1 184 184 PHE CB C 13 37.350 0.3 . 1 . . . . . 217 PHE CB . 28057 1 882 . 1 . 1 184 184 PHE N N 15 117.817 0.3 . 1 . . . . . 217 PHE N . 28057 1 883 . 1 . 1 185 185 SER H H 1 7.630 0.020 . 1 . . . . . 218 SER H . 28057 1 884 . 1 . 1 185 185 SER C C 13 175.706 0.3 . 1 . . . . . 218 SER C . 28057 1 885 . 1 . 1 185 185 SER CA C 13 62.561 0.3 . 1 . . . . . 218 SER CA . 28057 1 886 . 1 . 1 185 185 SER CB C 13 64.096 0.3 . 1 . . . . . 218 SER CB . 28057 1 887 . 1 . 1 185 185 SER N N 15 116.394 0.3 . 1 . . . . . 218 SER N . 28057 1 888 . 1 . 1 186 186 PHE H H 1 8.772 0.020 . 1 . . . . . 219 PHE H . 28057 1 889 . 1 . 1 186 186 PHE C C 13 177.388 0.3 . 1 . . . . . 219 PHE C . 28057 1 890 . 1 . 1 186 186 PHE CA C 13 59.775 0.3 . 1 . . . . . 219 PHE CA . 28057 1 891 . 1 . 1 186 186 PHE CB C 13 39.588 0.3 . 1 . . . . . 219 PHE CB . 28057 1 892 . 1 . 1 186 186 PHE N N 15 123.197 0.3 . 1 . . . . . 219 PHE N . 28057 1 893 . 1 . 1 187 187 LEU H H 1 7.499 0.020 . 1 . . . . . 220 LEU H . 28057 1 894 . 1 . 1 187 187 LEU C C 13 175.427 0.3 . 1 . . . . . 220 LEU C . 28057 1 895 . 1 . 1 187 187 LEU CA C 13 57.275 0.3 . 1 . . . . . 220 LEU CA . 28057 1 896 . 1 . 1 187 187 LEU CB C 13 41.507 0.3 . 1 . . . . . 220 LEU CB . 28057 1 897 . 1 . 1 187 187 LEU N N 15 112.039 0.3 . 1 . . . . . 220 LEU N . 28057 1 898 . 1 . 1 188 188 TYR H H 1 6.708 0.020 . 1 . . . . . 221 TYR H . 28057 1 899 . 1 . 1 188 188 TYR C C 13 177.262 0.3 . 1 . . . . . 221 TYR C . 28057 1 900 . 1 . 1 188 188 TYR CA C 13 58.453 0.3 . 1 . . . . . 221 TYR CA . 28057 1 901 . 1 . 1 188 188 TYR CB C 13 40.252 0.3 . 1 . . . . . 221 TYR CB . 28057 1 902 . 1 . 1 188 188 TYR N N 15 113.168 0.3 . 1 . . . . . 221 TYR N . 28057 1 903 . 1 . 1 189 189 GLN H H 1 9.039 0.020 . 1 . . . . . 222 GLN H . 28057 1 904 . 1 . 1 189 189 GLN C C 13 177.404 0.3 . 1 . . . . . 222 GLN C . 28057 1 905 . 1 . 1 189 189 GLN CA C 13 57.703 0.3 . 1 . . . . . 222 GLN CA . 28057 1 906 . 1 . 1 189 189 GLN CB C 13 28.251 0.3 . 1 . . . . . 222 GLN CB . 28057 1 907 . 1 . 1 189 189 GLN N N 15 117.485 0.3 . 1 . . . . . 222 GLN N . 28057 1 908 . 1 . 1 190 190 THR H H 1 6.833 0.020 . 1 . . . . . 223 THR H . 28057 1 909 . 1 . 1 190 190 THR C C 13 175.113 0.3 . 1 . . . . . 223 THR C . 28057 1 910 . 1 . 1 190 190 THR CA C 13 64.418 0.3 . 1 . . . . . 223 THR CA . 28057 1 911 . 1 . 1 190 190 THR CB C 13 67.312 0.3 . 1 . . . . . 223 THR CB . 28057 1 912 . 1 . 1 190 190 THR N N 15 111.574 0.3 . 1 . . . . . 223 THR N . 28057 1 913 . 1 . 1 191 191 LEU H H 1 7.403 0.020 . 1 . . . . . 224 LEU H . 28057 1 914 . 1 . 1 191 191 LEU C C 13 175.552 0.3 . 1 . . . . . 224 LEU C . 28057 1 915 . 1 . 1 191 191 LEU CA C 13 54.203 0.3 . 1 . . . . . 224 LEU CA . 28057 1 916 . 1 . 1 191 191 LEU CB C 13 38.761 0.3 . 1 . . . . . 224 LEU CB . 28057 1 917 . 1 . 1 191 191 LEU N N 15 113.806 0.3 . 1 . . . . . 224 LEU N . 28057 1 918 . 1 . 1 192 192 LYS H H 1 6.404 0.020 . 1 . . . . . 225 LYS H . 28057 1 919 . 1 . 1 192 192 LYS C C 13 178.471 0.3 . 1 . . . . . 225 LYS C . 28057 1 920 . 1 . 1 192 192 LYS CA C 13 56.132 0.3 . 1 . . . . . 225 LYS CA . 28057 1 921 . 1 . 1 192 192 LYS CB C 13 27.153 0.3 . 1 . . . . . 225 LYS CB . 28057 1 922 . 1 . 1 192 192 LYS N N 15 105.331 0.3 . 1 . . . . . 225 LYS N . 28057 1 923 . 1 . 1 193 193 PHE H H 1 7.958 0.020 . 1 . . . . . 226 PHE H . 28057 1 924 . 1 . 1 193 193 PHE C C 13 175.929 0.3 . 1 . . . . . 226 PHE C . 28057 1 925 . 1 . 1 193 193 PHE CA C 13 61.096 0.3 . 1 . . . . . 226 PHE CA . 28057 1 926 . 1 . 1 193 193 PHE CB C 13 36.565 0.3 . 1 . . . . . 226 PHE CB . 28057 1 927 . 1 . 1 193 193 PHE N N 15 115.493 0.3 . 1 . . . . . 226 PHE N . 28057 1 928 . 1 . 1 194 194 LYS H H 1 8.928 0.020 . 1 . . . . . 227 LYS H . 28057 1 929 . 1 . 1 194 194 LYS C C 13 174.376 0.3 . 1 . . . . . 227 LYS C . 28057 1 930 . 1 . 1 194 194 LYS CA C 13 53.524 0.3 . 1 . . . . . 227 LYS CA . 28057 1 931 . 1 . 1 194 194 LYS CB C 13 31.545 0.3 . 1 . . . . . 227 LYS CB . 28057 1 932 . 1 . 1 194 194 LYS N N 15 124.326 0.3 . 1 . . . . . 227 LYS N . 28057 1 933 . 1 . 1 195 195 PRO C C 13 176.996 0.3 . 1 . . . . . 228 PRO C . 28057 1 934 . 1 . 1 195 195 PRO CA C 13 61.560 0.3 . 1 . . . . . 228 PRO CA . 28057 1 935 . 1 . 1 195 195 PRO CB C 13 30.411 0.3 . 1 . . . . . 228 PRO CB . 28057 1 936 . 1 . 1 196 196 THR H H 1 8.484 0.020 . 1 . . . . . 229 THR H . 28057 1 937 . 1 . 1 196 196 THR C C 13 175.035 0.3 . 1 . . . . . 229 THR C . 28057 1 938 . 1 . 1 196 196 THR CA C 13 61.810 0.3 . 1 . . . . . 229 THR CA . 28057 1 939 . 1 . 1 196 196 THR CB C 13 69.665 0.3 . 1 . . . . . 229 THR CB . 28057 1 940 . 1 . 1 196 196 THR N N 15 107.921 0.3 . 1 . . . . . 229 THR N . 28057 1 941 . 1 . 1 197 197 ASP H H 1 8.861 0.020 . 1 . . . . . 230 ASP H . 28057 1 942 . 1 . 1 197 197 ASP C C 13 175.976 0.3 . 1 . . . . . 230 ASP C . 28057 1 943 . 1 . 1 197 197 ASP CA C 13 54.632 0.3 . 1 . . . . . 230 ASP CA . 28057 1 944 . 1 . 1 197 197 ASP CB C 13 39.860 0.3 . 1 . . . . . 230 ASP CB . 28057 1 945 . 1 . 1 197 197 ASP N N 15 118.880 0.3 . 1 . . . . . 230 ASP N . 28057 1 946 . 1 . 1 198 198 THR H H 1 7.314 0.020 . 1 . . . . . 231 THR H . 28057 1 947 . 1 . 1 198 198 THR C C 13 171.960 0.3 . 1 . . . . . 231 THR C . 28057 1 948 . 1 . 1 198 198 THR CA C 13 62.989 0.3 . 1 . . . . . 231 THR CA . 28057 1 949 . 1 . 1 198 198 THR CB C 13 69.038 0.3 . 1 . . . . . 231 THR CB . 28057 1 950 . 1 . 1 198 198 THR N N 15 117.153 0.3 . 1 . . . . . 231 THR N . 28057 1 951 . 1 . 1 199 199 LYS H H 1 8.069 0.020 . 1 . . . . . 232 LYS H . 28057 1 952 . 1 . 1 199 199 LYS C C 13 175.005 0.3 . 1 . . . . . 232 LYS C . 28057 1 953 . 1 . 1 199 199 LYS CA C 13 54.703 0.3 . 1 . . . . . 232 LYS CA . 28057 1 954 . 1 . 1 199 199 LYS CB C 13 31.388 0.3 . 1 . . . . . 232 LYS CB . 28057 1 955 . 1 . 1 199 199 LYS N N 15 126.119 0.3 . 1 . . . . . 232 LYS N . 28057 1 956 . 1 . 1 200 200 PHE H H 1 8.136 0.020 . 1 . . . . . 233 PHE H . 28057 1 957 . 1 . 1 200 200 PHE C C 13 176.258 0.3 . 1 . . . . . 233 PHE C . 28057 1 958 . 1 . 1 200 200 PHE CA C 13 55.953 0.3 . 1 . . . . . 233 PHE CA . 28057 1 959 . 1 . 1 200 200 PHE CB C 13 41.036 0.3 . 1 . . . . . 233 PHE CB . 28057 1 960 . 1 . 1 200 200 PHE N N 15 121.005 0.3 . 1 . . . . . 233 PHE N . 28057 1 961 . 1 . 1 201 201 GLU H H 1 8.817 0.020 . 1 . . . . . 234 GLU H . 28057 1 962 . 1 . 1 201 201 GLU C C 13 176.996 0.3 . 1 . . . . . 234 GLU C . 28057 1 963 . 1 . 1 201 201 GLU CA C 13 55.453 0.3 . 1 . . . . . 234 GLU CA . 28057 1 964 . 1 . 1 201 201 GLU CB C 13 29.114 0.3 . 1 . . . . . 234 GLU CB . 28057 1 965 . 1 . 1 201 201 GLU N N 15 123.396 0.3 . 1 . . . . . 234 GLU N . 28057 1 966 . 1 . 1 202 202 ASP H H 1 8.891 0.020 . 1 . . . . . 235 ASP H . 28057 1 967 . 1 . 1 202 202 ASP C C 13 175.146 0.3 . 1 . . . . . 235 ASP C . 28057 1 968 . 1 . 1 202 202 ASP CA C 13 55.310 0.3 . 1 . . . . . 235 ASP CA . 28057 1 969 . 1 . 1 202 202 ASP CB C 13 41.115 0.3 . 1 . . . . . 235 ASP CB . 28057 1 970 . 1 . 1 202 202 ASP N N 15 126.916 0.3 . 1 . . . . . 235 ASP N . 28057 1 971 . 1 . 1 203 203 SER H H 1 7.440 0.020 . 1 . . . . . 236 SER H . 28057 1 972 . 1 . 1 203 203 SER C C 13 175.552 0.3 . 1 . . . . . 236 SER C . 28057 1 973 . 1 . 1 203 203 SER CA C 13 57.096 0.3 . 1 . . . . . 236 SER CA . 28057 1 974 . 1 . 1 203 203 SER CB C 13 63.469 0.3 . 1 . . . . . 236 SER CB . 28057 1 975 . 1 . 1 203 203 SER N N 15 116.290 0.3 . 1 . . . . . 236 SER N . 28057 1 976 . 1 . 1 204 204 ARG C C 13 176.955 0.3 . 1 . . . . . 237 ARG C . 28057 1 977 . 1 . 1 204 204 ARG CA C 13 58.703 0.3 . 1 . . . . . 237 ARG CA . 28057 1 978 . 1 . 1 204 204 ARG CB C 13 28.685 0.3 . 1 . . . . . 237 ARG CB . 28057 1 979 . 1 . 1 205 205 HIS H H 1 8.129 0.020 . 1 . . . . . 238 HIS H . 28057 1 980 . 1 . 1 205 205 HIS C C 13 173.623 0.3 . 1 . . . . . 238 HIS C . 28057 1 981 . 1 . 1 205 205 HIS CA C 13 56.417 0.3 . 1 . . . . . 238 HIS CA . 28057 1 982 . 1 . 1 205 205 HIS CB C 13 27.467 0.3 . 1 . . . . . 238 HIS CB . 28057 1 983 . 1 . 1 205 205 HIS N N 15 111.375 0.3 . 1 . . . . . 238 HIS N . 28057 1 984 . 1 . 1 206 206 GLY H H 1 6.863 0.020 . 1 . . . . . 239 GLY H . 28057 1 985 . 1 . 1 206 206 GLY C C 13 171.708 0.3 . 1 . . . . . 239 GLY C . 28057 1 986 . 1 . 1 206 206 GLY CA C 13 44.202 0.3 . 1 . . . . . 239 GLY CA . 28057 1 987 . 1 . 1 206 206 GLY N N 15 106.460 0.3 . 1 . . . . . 239 GLY N . 28057 1 988 . 1 . 1 207 207 GLN H H 1 7.781 0.020 . 1 . . . . . 240 GLN H . 28057 1 989 . 1 . 1 207 207 GLN C C 13 175.380 0.3 . 1 . . . . . 240 GLN C . 28057 1 990 . 1 . 1 207 207 GLN CA C 13 53.417 0.3 . 1 . . . . . 240 GLN CA . 28057 1 991 . 1 . 1 207 207 GLN CB C 13 29.428 0.3 . 1 . . . . . 240 GLN CB . 28057 1 992 . 1 . 1 207 207 GLN N N 15 118.548 0.3 . 1 . . . . . 240 GLN N . 28057 1 993 . 1 . 1 208 208 GLU H H 1 8.817 0.020 . 1 . . . . . 241 GLU H . 28057 1 994 . 1 . 1 208 208 GLU C C 13 176.211 0.3 . 1 . . . . . 241 GLU C . 28057 1 995 . 1 . 1 208 208 GLU CA C 13 57.703 0.3 . 1 . . . . . 241 GLU CA . 28057 1 996 . 1 . 1 208 208 GLU CB C 13 28.800 0.3 . 1 . . . . . 241 GLU CB . 28057 1 997 . 1 . 1 208 208 GLU N N 15 129.639 0.3 . 1 . . . . . 241 GLU N . 28057 1 998 . 1 . 1 209 209 VAL H H 1 8.210 0.020 . 1 . . . . . 242 VAL H . 28057 1 999 . 1 . 1 209 209 VAL C C 13 173.858 0.3 . 1 . . . . . 242 VAL C . 28057 1 1000 . 1 . 1 209 209 VAL CA C 13 57.953 0.3 . 1 . . . . . 242 VAL CA . 28057 1 1001 . 1 . 1 209 209 VAL CB C 13 34.604 0.3 . 1 . . . . . 242 VAL CB . 28057 1 1002 . 1 . 1 209 209 VAL N N 15 118.348 0.3 . 1 . . . . . 242 VAL N . 28057 1 1003 . 1 . 1 210 210 SER H H 1 8.084 0.020 . 1 . . . . . 243 SER H . 28057 1 1004 . 1 . 1 210 210 SER C C 13 175.568 0.3 . 1 . . . . . 243 SER C . 28057 1 1005 . 1 . 1 210 210 SER CA C 13 55.417 0.3 . 1 . . . . . 243 SER CA . 28057 1 1006 . 1 . 1 210 210 SER CB C 13 65.587 0.3 . 1 . . . . . 243 SER CB . 28057 1 1007 . 1 . 1 210 210 SER N N 15 116.954 0.3 . 1 . . . . . 243 SER N . 28057 1 1008 . 1 . 1 211 211 PHE H H 1 7.847 0.020 . 1 . . . . . 244 PHE H . 28057 1 1009 . 1 . 1 211 211 PHE C C 13 177.623 0.3 . 1 . . . . . 244 PHE C . 28057 1 1010 . 1 . 1 211 211 PHE CA C 13 61.560 0.3 . 1 . . . . . 244 PHE CA . 28057 1 1011 . 1 . 1 211 211 PHE CB C 13 38.487 0.3 . 1 . . . . . 244 PHE CB . 28057 1 1012 . 1 . 1 211 211 PHE N N 15 117.618 0.3 . 1 . . . . . 244 PHE N . 28057 1 1013 . 1 . 1 212 212 GLU H H 1 8.987 0.020 . 1 . . . . . 245 GLU H . 28057 1 1014 . 1 . 1 212 212 GLU C C 13 179.412 0.3 . 1 . . . . . 245 GLU C . 28057 1 1015 . 1 . 1 212 212 GLU CA C 13 59.989 0.3 . 1 . . . . . 245 GLU CA . 28057 1 1016 . 1 . 1 212 212 GLU CB C 13 27.859 0.3 . 1 . . . . . 245 GLU CB . 28057 1 1017 . 1 . 1 212 212 GLU N N 15 116.887 0.3 . 1 . . . . . 245 GLU N . 28057 1 1018 . 1 . 1 213 213 SER H H 1 8.125 0.020 . 1 . . . . . 246 SER H . 28057 1 1019 . 1 . 1 213 213 SER C C 13 176.277 0.3 . 1 . . . . . 246 SER C . 28057 1 1020 . 1 . 1 213 213 SER CA C 13 61.632 0.3 . 1 . . . . . 246 SER CA . 28057 1 1021 . 1 . 1 213 213 SER CB C 13 65.822 0.3 . 1 . . . . . 246 SER CB . 28057 1 1022 . 1 . 1 213 213 SER N N 15 116.622 0.3 . 1 . . . . . 246 SER N . 28057 1 1023 . 1 . 1 214 214 VAL H H 1 7.958 0.020 . 1 . . . . . 247 VAL H . 28057 1 1024 . 1 . 1 214 214 VAL C C 13 177.310 0.3 . 1 . . . . . 247 VAL C . 28057 1 1025 . 1 . 1 214 214 VAL CA C 13 67.311 0.3 . 1 . . . . . 247 VAL CA . 28057 1 1026 . 1 . 1 214 214 VAL CB C 13 29.663 0.3 . 1 . . . . . 247 VAL CB . 28057 1 1027 . 1 . 1 214 214 VAL N N 15 121.005 0.3 . 1 . . . . . 247 VAL N . 28057 1 1028 . 1 . 1 215 215 LYS H H 1 7.810 0.020 . 1 . . . . . 248 LYS H . 28057 1 1029 . 1 . 1 215 215 LYS C C 13 178.643 0.3 . 1 . . . . . 248 LYS C . 28057 1 1030 . 1 . 1 215 215 LYS CA C 13 58.882 0.3 . 1 . . . . . 248 LYS CA . 28057 1 1031 . 1 . 1 215 215 LYS CB C 13 30.526 0.3 . 1 . . . . . 248 LYS CB . 28057 1 1032 . 1 . 1 215 215 LYS N N 15 118.946 0.3 . 1 . . . . . 248 LYS N . 28057 1 1033 . 1 . 1 216 216 GLU H H 1 7.854 0.020 . 1 . . . . . 249 GLU H . 28057 1 1034 . 1 . 1 216 216 GLU C C 13 178.690 0.3 . 1 . . . . . 249 GLU C . 28057 1 1035 . 1 . 1 216 216 GLU CA C 13 58.596 0.3 . 1 . . . . . 249 GLU CA . 28057 1 1036 . 1 . 1 216 216 GLU CB C 13 28.565 0.3 . 1 . . . . . 249 GLU CB . 28057 1 1037 . 1 . 1 216 216 GLU N N 15 119.047 0.3 . 1 . . . . . 249 GLU N . 28057 1 1038 . 1 . 1 217 217 ILE H H 1 8.328 0.020 . 1 . . . . . 250 ILE H . 28057 1 1039 . 1 . 1 217 217 ILE C C 13 177.514 0.3 . 1 . . . . . 250 ILE C . 28057 1 1040 . 1 . 1 217 217 ILE CA C 13 64.239 0.3 . 1 . . . . . 250 ILE CA . 28057 1 1041 . 1 . 1 217 217 ILE CB C 13 37.585 0.3 . 1 . . . . . 250 ILE CB . 28057 1 1042 . 1 . 1 217 217 ILE N N 15 120.938 0.3 . 1 . . . . . 250 ILE N . 28057 1 1043 . 1 . 1 218 218 ASN H H 1 8.254 0.020 . 1 . . . . . 251 ASN H . 28057 1 1044 . 1 . 1 218 218 ASN C C 13 172.038 0.3 . 1 . . . . . 251 ASN C . 28057 1 1045 . 1 . 1 218 218 ASN CA C 13 53.417 0.3 . 1 . . . . . 251 ASN CA . 28057 1 1046 . 1 . 1 218 218 ASN CB C 13 37.899 0.3 . 1 . . . . . 251 ASN CB . 28057 1 1047 . 1 . 1 218 218 ASN N N 15 117.086 0.3 . 1 . . . . . 251 ASN N . 28057 1 1048 . 1 . 1 219 219 PRO C C 13 175.073 0.3 . 1 . . . . . 252 PRO C . 28057 1 1049 . 1 . 1 219 219 PRO CA C 13 62.489 0.3 . 1 . . . . . 252 PRO CA . 28057 1 1050 . 1 . 1 219 219 PRO CB C 13 31.195 0.3 . 1 . . . . . 252 PRO CB . 28057 1 1051 . 1 . 1 220 220 ASP H H 1 8.044 0.020 . 1 . . . . . 253 ASP H . 28057 1 1052 . 1 . 1 220 220 ASP C C 13 175.443 0.3 . 1 . . . . . 253 ASP C . 28057 1 1053 . 1 . 1 220 220 ASP CA C 13 56.489 0.3 . 1 . . . . . 253 ASP CA . 28057 1 1054 . 1 . 1 220 220 ASP CB C 13 42.449 0.3 . 1 . . . . . 253 ASP CB . 28057 1 1055 . 1 . 1 220 220 ASP N N 15 116.429 0.3 . 1 . . . . . 253 ASP N . 28057 1 1056 . 1 . 1 221 221 ILE H H 1 7.670 0.020 . 1 . . . . . 254 ILE H . 28057 1 1057 . 1 . 1 221 221 ILE C C 13 173.199 0.3 . 1 . . . . . 254 ILE C . 28057 1 1058 . 1 . 1 221 221 ILE CA C 13 59.525 0.3 . 1 . . . . . 254 ILE CA . 28057 1 1059 . 1 . 1 221 221 ILE CB C 13 42.056 0.3 . 1 . . . . . 254 ILE CB . 28057 1 1060 . 1 . 1 221 221 ILE N N 15 116.157 0.3 . 1 . . . . . 254 ILE N . 28057 1 1061 . 1 . 1 222 222 LEU H H 1 8.306 0.020 . 1 . . . . . 255 LEU H . 28057 1 1062 . 1 . 1 222 222 LEU C C 13 174.046 0.3 . 1 . . . . . 255 LEU C . 28057 1 1063 . 1 . 1 222 222 LEU CA C 13 52.167 0.3 . 1 . . . . . 255 LEU CA . 28057 1 1064 . 1 . 1 222 222 LEU CB C 13 44.723 0.3 . 1 . . . . . 255 LEU CB . 28057 1 1065 . 1 . 1 222 222 LEU N N 15 129.307 0.3 . 1 . . . . . 255 LEU N . 28057 1 1066 . 1 . 1 223 223 PHE H H 1 9.091 0.020 . 1 . . . . . 256 PHE H . 28057 1 1067 . 1 . 1 223 223 PHE C C 13 174.297 0.3 . 1 . . . . . 256 PHE C . 28057 1 1068 . 1 . 1 223 223 PHE CA C 13 56.703 0.3 . 1 . . . . . 256 PHE CA . 28057 1 1069 . 1 . 1 223 223 PHE CB C 13 39.232 0.3 . 1 . . . . . 256 PHE CB . 28057 1 1070 . 1 . 1 223 223 PHE N N 15 124.790 0.3 . 1 . . . . . 256 PHE N . 28057 1 1071 . 1 . 1 224 224 VAL H H 1 8.698 0.020 . 1 . . . . . 257 VAL H . 28057 1 1072 . 1 . 1 224 224 VAL C C 13 175.082 0.3 . 1 . . . . . 257 VAL C . 28057 1 1073 . 1 . 1 224 224 VAL CA C 13 60.310 0.3 . 1 . . . . . 257 VAL CA . 28057 1 1074 . 1 . 1 224 224 VAL CB C 13 33.428 0.3 . 1 . . . . . 257 VAL CB . 28057 1 1075 . 1 . 1 224 224 VAL N N 15 120.540 0.3 . 1 . . . . . 257 VAL N . 28057 1 1076 . 1 . 1 225 225 ILE H H 1 8.758 0.020 . 1 . . . . . 258 ILE H . 28057 1 1077 . 1 . 1 225 225 ILE C C 13 174.815 0.3 . 1 . . . . . 258 ILE C . 28057 1 1078 . 1 . 1 225 225 ILE CA C 13 60.775 0.3 . 1 . . . . . 258 ILE CA . 28057 1 1079 . 1 . 1 225 225 ILE CB C 13 38.840 0.3 . 1 . . . . . 258 ILE CB . 28057 1 1080 . 1 . 1 225 225 ILE N N 15 127.646 0.3 . 1 . . . . . 258 ILE N . 28057 1 1081 . 1 . 1 226 226 ASN H H 1 8.772 0.020 . 1 . . . . . 259 ASN H . 28057 1 1082 . 1 . 1 226 226 ASN C C 13 173.499 0.3 . 1 . . . . . 259 ASN C . 28057 1 1083 . 1 . 1 226 226 ASN CA C 13 52.239 0.3 . 1 . . . . . 259 ASN CA . 28057 1 1084 . 1 . 1 226 226 ASN CB C 13 36.801 0.3 . 1 . . . . . 259 ASN CB . 28057 1 1085 . 1 . 1 226 226 ASN N N 15 125.986 0.3 . 1 . . . . . 259 ASN N . 28057 1 1086 . 1 . 1 227 227 ARG H H 1 8.232 0.020 . 1 . . . . . 260 ARG H . 28057 1 1087 . 1 . 1 227 227 ARG C C 13 175.725 0.3 . 1 . . . . . 260 ARG C . 28057 1 1088 . 1 . 1 227 227 ARG CA C 13 58.489 0.3 . 1 . . . . . 260 ARG CA . 28057 1 1089 . 1 . 1 227 227 ARG CB C 13 29.506 0.3 . 1 . . . . . 260 ARG CB . 28057 1 1090 . 1 . 1 227 227 ARG N N 15 127.580 0.3 . 1 . . . . . 260 ARG N . 28057 1 1091 . 1 . 1 228 228 THR H H 1 7.485 0.020 . 1 . . . . . 261 THR H . 28057 1 1092 . 1 . 1 228 228 THR C C 13 176.760 0.3 . 1 . . . . . 261 THR C . 28057 1 1093 . 1 . 1 228 228 THR CA C 13 65.668 0.3 . 1 . . . . . 261 THR CA . 28057 1 1094 . 1 . 1 228 228 THR CB C 13 67.783 0.3 . 1 . . . . . 261 THR CB . 28057 1 1095 . 1 . 1 228 228 THR N N 15 114.696 0.3 . 1 . . . . . 261 THR N . 28057 1 1096 . 1 . 1 229 229 LEU H H 1 7.388 0.020 . 1 . . . . . 262 LEU H . 28057 1 1097 . 1 . 1 229 229 LEU C C 13 179.914 0.3 . 1 . . . . . 262 LEU C . 28057 1 1098 . 1 . 1 229 229 LEU CA C 13 55.989 0.3 . 1 . . . . . 262 LEU CA . 28057 1 1099 . 1 . 1 229 229 LEU CB C 13 41.585 0.3 . 1 . . . . . 262 LEU CB . 28057 1 1100 . 1 . 1 229 229 LEU N N 15 118.348 0.3 . 1 . . . . . 262 LEU N . 28057 1 1101 . 1 . 1 230 230 ALA H H 1 7.433 0.020 . 1 . . . . . 263 ALA H . 28057 1 1102 . 1 . 1 230 230 ALA C C 13 177.859 0.3 . 1 . . . . . 263 ALA C . 28057 1 1103 . 1 . 1 230 230 ALA CA C 13 55.310 0.3 . 1 . . . . . 263 ALA CA . 28057 1 1104 . 1 . 1 230 230 ALA CB C 13 18.682 0.3 . 1 . . . . . 263 ALA CB . 28057 1 1105 . 1 . 1 230 230 ALA N N 15 120.806 0.3 . 1 . . . . . 263 ALA N . 28057 1 1106 . 1 . 1 231 231 ILE H H 1 7.507 0.020 . 1 . . . . . 264 ILE H . 28057 1 1107 . 1 . 1 231 231 ILE C C 13 176.776 0.3 . 1 . . . . . 264 ILE C . 28057 1 1108 . 1 . 1 231 231 ILE CA C 13 60.239 0.3 . 1 . . . . . 264 ILE CA . 28057 1 1109 . 1 . 1 231 231 ILE CB C 13 37.507 0.3 . 1 . . . . . 264 ILE CB . 28057 1 1110 . 1 . 1 231 231 ILE N N 15 103.804 0.3 . 1 . . . . . 264 ILE N . 28057 1 1111 . 1 . 1 232 232 GLY H H 1 7.470 0.020 . 1 . . . . . 265 GLY H . 28057 1 1112 . 1 . 1 232 232 GLY C C 13 175.505 0.3 . 1 . . . . . 265 GLY C . 28057 1 1113 . 1 . 1 232 232 GLY CA C 13 45.774 0.3 . 1 . . . . . 265 GLY CA . 28057 1 1114 . 1 . 1 232 232 GLY N N 15 110.179 0.3 . 1 . . . . . 265 GLY N . 28057 1 1115 . 1 . 1 233 233 GLY H H 1 8.254 0.020 . 1 . . . . . 266 GLY H . 28057 1 1116 . 1 . 1 233 233 GLY C C 13 172.320 0.3 . 1 . . . . . 266 GLY C . 28057 1 1117 . 1 . 1 233 233 GLY CA C 13 43.595 0.3 . 1 . . . . . 266 GLY CA . 28057 1 1118 . 1 . 1 233 233 GLY N N 15 106.527 0.3 . 1 . . . . . 266 GLY N . 28057 1 1119 . 1 . 1 234 234 ASP H H 1 8.380 0.020 . 1 . . . . . 267 ASP H . 28057 1 1120 . 1 . 1 234 234 ASP C C 13 176.368 0.3 . 1 . . . . . 267 ASP C . 28057 1 1121 . 1 . 1 234 234 ASP CA C 13 52.560 0.3 . 1 . . . . . 267 ASP CA . 28057 1 1122 . 1 . 1 234 234 ASP CB C 13 39.075 0.3 . 1 . . . . . 267 ASP CB . 28057 1 1123 . 1 . 1 234 234 ASP N N 15 117.286 0.3 . 1 . . . . . 267 ASP N . 28057 1 1124 . 1 . 1 235 235 ASN H H 1 8.765 0.020 . 1 . . . . . 268 ASN H . 28057 1 1125 . 1 . 1 235 235 ASN C C 13 177.278 0.3 . 1 . . . . . 268 ASN C . 28057 1 1126 . 1 . 1 235 235 ASN CA C 13 53.703 0.3 . 1 . . . . . 268 ASN CA . 28057 1 1127 . 1 . 1 235 235 ASN CB C 13 39.117 0.3 . 1 . . . . . 268 ASN CB . 28057 1 1128 . 1 . 1 235 235 ASN N N 15 124.857 0.3 . 1 . . . . . 268 ASN N . 28057 1 1129 . 1 . 1 236 236 SER H H 1 8.573 0.020 . 1 . . . . . 269 SER H . 28057 1 1130 . 1 . 1 236 236 SER C C 13 177.090 0.3 . 1 . . . . . 269 SER C . 28057 1 1131 . 1 . 1 236 236 SER CA C 13 61.453 0.3 . 1 . . . . . 269 SER CA . 28057 1 1132 . 1 . 1 236 236 SER CB C 13 62.135 0.3 . 1 . . . . . 269 SER CB . 28057 1 1133 . 1 . 1 236 236 SER N N 15 118.016 0.3 . 1 . . . . . 269 SER N . 28057 1 1134 . 1 . 1 237 237 SER H H 1 7.396 0.020 . 1 . . . . . 270 SER H . 28057 1 1135 . 1 . 1 237 237 SER C C 13 174.831 0.3 . 1 . . . . . 270 SER C . 28057 1 1136 . 1 . 1 237 237 SER CA C 13 59.703 0.3 . 1 . . . . . 270 SER CA . 28057 1 1137 . 1 . 1 237 237 SER CB C 13 62.135 0.3 . 1 . . . . . 270 SER CB . 28057 1 1138 . 1 . 1 237 237 SER N N 15 115.699 0.3 . 1 . . . . . 270 SER N . 28057 1 1139 . 1 . 1 238 238 ASN H H 1 7.471 0.020 . 1 . . . . . 271 ASN H . 28057 1 1140 . 1 . 1 238 238 ASN C C 13 176.352 0.3 . 1 . . . . . 271 ASN C . 28057 1 1141 . 1 . 1 238 238 ASN CA C 13 52.953 0.3 . 1 . . . . . 271 ASN CA . 28057 1 1142 . 1 . 1 238 238 ASN CB C 13 38.212 0.3 . 1 . . . . . 271 ASN CB . 28057 1 1143 . 1 . 1 238 238 ASN N N 15 116.374 0.3 . 1 . . . . . 271 ASN N . 28057 1 1144 . 1 . 1 239 239 ASP H H 1 7.396 0.020 . 1 . . . . . 272 ASP H . 28057 1 1145 . 1 . 1 239 239 ASP C C 13 177.561 0.3 . 1 . . . . . 272 ASP C . 28057 1 1146 . 1 . 1 239 239 ASP CA C 13 56.132 0.3 . 1 . . . . . 272 ASP CA . 28057 1 1147 . 1 . 1 239 239 ASP CB C 13 39.467 0.3 . 1 . . . . . 272 ASP CB . 28057 1 1148 . 1 . 1 239 239 ASP N N 15 123.263 0.3 . 1 . . . . . 272 ASP N . 28057 1 1149 . 1 . 1 240 240 GLY H H 1 8.587 0.020 . 1 . . . . . 273 GLY H . 28057 1 1150 . 1 . 1 240 240 GLY C C 13 176.101 0.3 . 1 . . . . . 273 GLY C . 28057 1 1151 . 1 . 1 240 240 GLY CA C 13 45.524 0.3 . 1 . . . . . 273 GLY CA . 28057 1 1152 . 1 . 1 240 240 GLY N N 15 111.840 0.3 . 1 . . . . . 273 GLY N . 28057 1 1153 . 1 . 1 241 241 VAL H H 1 7.359 0.020 . 1 . . . . . 274 VAL H . 28057 1 1154 . 1 . 1 241 241 VAL C C 13 176.902 0.3 . 1 . . . . . 274 VAL C . 28057 1 1155 . 1 . 1 241 241 VAL CA C 13 66.489 0.3 . 1 . . . . . 274 VAL CA . 28057 1 1156 . 1 . 1 241 241 VAL CB C 13 30.839 0.3 . 1 . . . . . 274 VAL CB . 28057 1 1157 . 1 . 1 241 241 VAL N N 15 121.669 0.3 . 1 . . . . . 274 VAL N . 28057 1 1158 . 1 . 1 242 242 LEU H H 1 8.151 0.020 . 1 . . . . . 275 LEU H . 28057 1 1159 . 1 . 1 242 242 LEU C C 13 176.886 0.3 . 1 . . . . . 275 LEU C . 28057 1 1160 . 1 . 1 242 242 LEU CA C 13 55.310 0.3 . 1 . . . . . 275 LEU CA . 28057 1 1161 . 1 . 1 242 242 LEU CB C 13 38.918 0.3 . 1 . . . . . 275 LEU CB . 28057 1 1162 . 1 . 1 242 242 LEU N N 15 113.500 0.3 . 1 . . . . . 275 LEU N . 28057 1 1163 . 1 . 1 243 243 GLU H H 1 7.388 0.020 . 1 . . . . . 276 GLU H . 28057 1 1164 . 1 . 1 243 243 GLU C C 13 175.490 0.3 . 1 . . . . . 276 GLU C . 28057 1 1165 . 1 . 1 243 243 GLU CA C 13 55.524 0.3 . 1 . . . . . 276 GLU CA . 28057 1 1166 . 1 . 1 243 243 GLU CB C 13 28.094 0.3 . 1 . . . . . 276 GLU CB . 28057 1 1167 . 1 . 1 243 243 GLU N N 15 114.828 0.3 . 1 . . . . . 276 GLU N . 28057 1 1168 . 1 . 1 244 244 ASN H H 1 6.989 0.020 . 1 . . . . . 277 ASN H . 28057 1 1169 . 1 . 1 244 244 ASN C C 13 175.803 0.3 . 1 . . . . . 277 ASN C . 28057 1 1170 . 1 . 1 244 244 ASN CA C 13 54.739 0.3 . 1 . . . . . 277 ASN CA . 28057 1 1171 . 1 . 1 244 244 ASN CB C 13 41.507 0.3 . 1 . . . . . 277 ASN CB . 28057 1 1172 . 1 . 1 244 244 ASN N N 15 119.677 0.3 . 1 . . . . . 277 ASN N . 28057 1 1173 . 1 . 1 245 245 ALA H H 1 8.565 0.020 . 1 . . . . . 278 ALA H . 28057 1 1174 . 1 . 1 245 245 ALA C C 13 178.911 0.3 . 1 . . . . . 278 ALA C . 28057 1 1175 . 1 . 1 245 245 ALA CA C 13 54.596 0.3 . 1 . . . . . 278 ALA CA . 28057 1 1176 . 1 . 1 245 245 ALA CB C 13 18.054 0.3 . 1 . . . . . 278 ALA CB . 28057 1 1177 . 1 . 1 245 245 ALA N N 15 127.314 0.3 . 1 . . . . . 278 ALA N . 28057 1 1178 . 1 . 1 246 246 LEU H H 1 8.125 0.020 . 1 . . . . . 279 LEU H . 28057 1 1179 . 1 . 1 246 246 LEU C C 13 179.632 0.3 . 1 . . . . . 279 LEU C . 28057 1 1180 . 1 . 1 246 246 LEU CA C 13 57.310 0.3 . 1 . . . . . 279 LEU CA . 28057 1 1181 . 1 . 1 246 246 LEU CB C 13 39.624 0.3 . 1 . . . . . 279 LEU CB . 28057 1 1182 . 1 . 1 246 246 LEU N N 15 116.327 0.3 . 1 . . . . . 279 LEU N . 28057 1 1183 . 1 . 1 247 247 ILE H H 1 7.166 0.020 . 1 . . . . . 280 ILE H . 28057 1 1184 . 1 . 1 247 247 ILE C C 13 178.847 0.3 . 1 . . . . . 280 ILE C . 28057 1 1185 . 1 . 1 247 247 ILE CA C 13 62.739 0.3 . 1 . . . . . 280 ILE CA . 28057 1 1186 . 1 . 1 247 247 ILE CB C 13 35.153 0.3 . 1 . . . . . 280 ILE CB . 28057 1 1187 . 1 . 1 247 247 ILE N N 15 116.688 0.3 . 1 . . . . . 280 ILE N . 28057 1 1188 . 1 . 1 248 248 ALA H H 1 7.988 0.020 . 1 . . . . . 281 ALA H . 28057 1 1189 . 1 . 1 248 248 ALA C C 13 177.310 0.3 . 1 . . . . . 281 ALA C . 28057 1 1190 . 1 . 1 248 248 ALA CA C 13 53.489 0.3 . 1 . . . . . 281 ALA CA . 28057 1 1191 . 1 . 1 248 248 ALA CB C 13 17.348 0.3 . 1 . . . . . 281 ALA CB . 28057 1 1192 . 1 . 1 248 248 ALA N N 15 121.337 0.3 . 1 . . . . . 281 ALA N . 28057 1 1193 . 1 . 1 249 249 GLU H H 1 6.952 0.020 . 1 . . . . . 282 GLU H . 28057 1 1194 . 1 . 1 249 249 GLU C C 13 177.608 0.3 . 1 . . . . . 282 GLU C . 28057 1 1195 . 1 . 1 249 249 GLU CA C 13 55.774 0.3 . 1 . . . . . 282 GLU CA . 28057 1 1196 . 1 . 1 249 249 GLU CB C 13 29.584 0.3 . 1 . . . . . 282 GLU CB . 28057 1 1197 . 1 . 1 249 249 GLU N N 15 112.902 0.3 . 1 . . . . . 282 GLU N . 28057 1 1198 . 1 . 1 250 250 THR H H 1 7.840 0.020 . 1 . . . . . 283 THR H . 28057 1 1199 . 1 . 1 250 250 THR C C 13 173.262 0.3 . 1 . . . . . 283 THR C . 28057 1 1200 . 1 . 1 250 250 THR CA C 13 59.989 0.3 . 1 . . . . . 283 THR CA . 28057 1 1201 . 1 . 1 250 250 THR CB C 13 69.587 0.3 . 1 . . . . . 283 THR CB . 28057 1 1202 . 1 . 1 250 250 THR N N 15 111.242 0.3 . 1 . . . . . 283 THR N . 28057 1 1203 . 1 . 1 251 251 PRO C C 13 178.683 0.3 . 1 . . . . . 284 PRO C . 28057 1 1204 . 1 . 1 251 251 PRO CA C 13 64.775 0.3 . 1 . . . . . 284 PRO CA . 28057 1 1205 . 1 . 1 251 251 PRO CB C 13 30.489 0.3 . 1 . . . . . 284 PRO CB . 28057 1 1206 . 1 . 1 252 252 ALA H H 1 7.374 0.020 . 1 . . . . . 285 ALA H . 28057 1 1207 . 1 . 1 252 252 ALA C C 13 178.423 0.3 . 1 . . . . . 285 ALA C . 28057 1 1208 . 1 . 1 252 252 ALA CA C 13 54.739 0.3 . 1 . . . . . 285 ALA CA . 28057 1 1209 . 1 . 1 252 252 ALA CB C 13 17.427 0.3 . 1 . . . . . 285 ALA CB . 28057 1 1210 . 1 . 1 252 252 ALA N N 15 115.094 0.3 . 1 . . . . . 285 ALA N . 28057 1 1211 . 1 . 1 253 253 ALA H H 1 7.255 0.020 . 1 . . . . . 286 ALA H . 28057 1 1212 . 1 . 1 253 253 ALA C C 13 181.718 0.3 . 1 . . . . . 286 ALA C . 28057 1 1213 . 1 . 1 253 253 ALA CA C 13 54.203 0.3 . 1 . . . . . 286 ALA CA . 28057 1 1214 . 1 . 1 253 253 ALA CB C 13 19.623 0.3 . 1 . . . . . 286 ALA CB . 28057 1 1215 . 1 . 1 253 253 ALA N N 15 118.348 0.3 . 1 . . . . . 286 ALA N . 28057 1 1216 . 1 . 1 254 254 LYS H H 1 8.180 0.020 . 1 . . . . . 287 LYS H . 28057 1 1217 . 1 . 1 254 254 LYS C C 13 178.392 0.3 . 1 . . . . . 287 LYS C . 28057 1 1218 . 1 . 1 254 254 LYS CA C 13 58.596 0.3 . 1 . . . . . 287 LYS CA . 28057 1 1219 . 1 . 1 254 254 LYS CB C 13 31.467 0.3 . 1 . . . . . 287 LYS CB . 28057 1 1220 . 1 . 1 254 254 LYS N N 15 118.323 0.3 . 1 . . . . . 287 LYS N . 28057 1 1221 . 1 . 1 255 255 ASN H H 1 8.158 0.020 . 1 . . . . . 288 ASN H . 28057 1 1222 . 1 . 1 255 255 ASN C C 13 175.615 0.3 . 1 . . . . . 288 ASN C . 28057 1 1223 . 1 . 1 255 255 ASN CA C 13 52.096 0.3 . 1 . . . . . 288 ASN CA . 28057 1 1224 . 1 . 1 255 255 ASN CB C 13 38.448 0.3 . 1 . . . . . 288 ASN CB . 28057 1 1225 . 1 . 1 255 255 ASN N N 15 112.570 0.3 . 1 . . . . . 288 ASN N . 28057 1 1226 . 1 . 1 256 256 GLY H H 1 7.551 0.020 . 1 . . . . . 289 GLY H . 28057 1 1227 . 1 . 1 256 256 GLY C C 13 175.678 0.3 . 1 . . . . . 289 GLY C . 28057 1 1228 . 1 . 1 256 256 GLY CA C 13 47.024 0.3 . 1 . . . . . 289 GLY CA . 28057 1 1229 . 1 . 1 256 256 GLY N N 15 109.053 0.3 . 1 . . . . . 289 GLY N . 28057 1 1230 . 1 . 1 257 257 LYS H H 1 8.906 0.020 . 1 . . . . . 290 LYS H . 28057 1 1231 . 1 . 1 257 257 LYS C C 13 175.097 0.3 . 1 . . . . . 290 LYS C . 28057 1 1232 . 1 . 1 257 257 LYS CA C 13 52.489 0.3 . 1 . . . . . 290 LYS CA . 28057 1 1233 . 1 . 1 257 257 LYS CB C 13 31.388 0.3 . 1 . . . . . 290 LYS CB . 28057 1 1234 . 1 . 1 257 257 LYS N N 15 117.883 0.3 . 1 . . . . . 290 LYS N . 28057 1 1235 . 1 . 1 258 258 ILE H H 1 7.514 0.020 . 1 . . . . . 291 ILE H . 28057 1 1236 . 1 . 1 258 258 ILE C C 13 175.395 0.3 . 1 . . . . . 291 ILE C . 28057 1 1237 . 1 . 1 258 258 ILE CA C 13 61.632 0.3 . 1 . . . . . 291 ILE CA . 28057 1 1238 . 1 . 1 258 258 ILE CB C 13 34.683 0.3 . 1 . . . . . 291 ILE CB . 28057 1 1239 . 1 . 1 258 258 ILE N N 15 120.075 0.3 . 1 . . . . . 291 ILE N . 28057 1 1240 . 1 . 1 259 259 ILE H H 1 8.913 0.020 . 1 . . . . . 292 ILE H . 28057 1 1241 . 1 . 1 259 259 ILE C C 13 174.642 0.3 . 1 . . . . . 292 ILE C . 28057 1 1242 . 1 . 1 259 259 ILE CA C 13 58.489 0.3 . 1 . . . . . 292 ILE CA . 28057 1 1243 . 1 . 1 259 259 ILE CB C 13 37.036 0.3 . 1 . . . . . 292 ILE CB . 28057 1 1244 . 1 . 1 259 259 ILE N N 15 129.904 0.3 . 1 . . . . . 292 ILE N . 28057 1 1245 . 1 . 1 260 260 GLN H H 1 8.669 0.020 . 1 . . . . . 293 GLN H . 28057 1 1246 . 1 . 1 260 260 GLN C C 13 175.366 0.3 . 1 . . . . . 293 GLN C . 28057 1 1247 . 1 . 1 260 260 GLN CA C 13 54.632 0.3 . 1 . . . . . 293 GLN CA . 28057 1 1248 . 1 . 1 260 260 GLN CB C 13 26.447 0.3 . 1 . . . . . 293 GLN CB . 28057 1 1249 . 1 . 1 260 260 GLN N N 15 126.650 0.3 . 1 . . . . . 293 GLN N . 28057 1 1250 . 1 . 1 261 261 LEU H H 1 7.906 0.020 . 1 . . . . . 294 LEU H . 28057 1 1251 . 1 . 1 261 261 LEU C C 13 176.417 0.3 . 1 . . . . . 294 LEU C . 28057 1 1252 . 1 . 1 261 261 LEU CA C 13 53.453 0.3 . 1 . . . . . 294 LEU CA . 28057 1 1253 . 1 . 1 261 261 LEU CB C 13 38.840 0.3 . 1 . . . . . 294 LEU CB . 28057 1 1254 . 1 . 1 261 261 LEU N N 15 127.314 0.3 . 1 . . . . . 294 LEU N . 28057 1 1255 . 1 . 1 262 262 THR H H 1 8.876 0.020 . 1 . . . . . 295 THR H . 28057 1 1256 . 1 . 1 262 262 THR C C 13 176.149 0.3 . 1 . . . . . 295 THR C . 28057 1 1257 . 1 . 1 262 262 THR CA C 13 62.418 0.3 . 1 . . . . . 295 THR CA . 28057 1 1258 . 1 . 1 262 262 THR CB C 13 68.489 0.3 . 1 . . . . . 295 THR CB . 28057 1 1259 . 1 . 1 262 262 THR N N 15 121.271 0.3 . 1 . . . . . 295 THR N . 28057 1 1260 . 1 . 1 263 263 PRO C C 13 178.355 0.3 . 1 . . . . . 296 PRO C . 28057 1 1261 . 1 . 1 263 263 PRO CA C 13 67.168 0.3 . 1 . . . . . 296 PRO CA . 28057 1 1262 . 1 . 1 263 263 PRO CB C 13 31.430 0.3 . 1 . . . . . 296 PRO CB . 28057 1 1263 . 1 . 1 264 264 ASP H H 1 8.469 0.020 . 1 . . . . . 297 ASP H . 28057 1 1264 . 1 . 1 264 264 ASP C C 13 177.780 0.3 . 1 . . . . . 297 ASP C . 28057 1 1265 . 1 . 1 264 264 ASP CA C 13 56.382 0.3 . 1 . . . . . 297 ASP CA . 28057 1 1266 . 1 . 1 264 264 ASP CB C 13 38.212 0.3 . 1 . . . . . 297 ASP CB . 28057 1 1267 . 1 . 1 264 264 ASP N N 15 114.961 0.3 . 1 . . . . . 297 ASP N . 28057 1 1268 . 1 . 1 265 265 LEU H H 1 7.973 0.020 . 1 . . . . . 298 LEU H . 28057 1 1269 . 1 . 1 265 265 LEU C C 13 176.164 0.3 . 1 . . . . . 298 LEU C . 28057 1 1270 . 1 . 1 265 265 LEU CA C 13 57.882 0.3 . 1 . . . . . 298 LEU CA . 28057 1 1271 . 1 . 1 265 265 LEU CB C 13 41.821 0.3 . 1 . . . . . 298 LEU CB . 28057 1 1272 . 1 . 1 265 265 LEU N N 15 123.329 0.3 . 1 . . . . . 298 LEU N . 28057 1 1273 . 1 . 1 266 266 TRP H H 1 7.729 0.020 . 1 . . . . . 299 TRP H . 28057 1 1274 . 1 . 1 266 266 TRP C C 13 177.937 0.3 . 1 . . . . . 299 TRP C . 28057 1 1275 . 1 . 1 266 266 TRP CA C 13 60.203 0.3 . 1 . . . . . 299 TRP CA . 28057 1 1276 . 1 . 1 266 266 TRP CB C 13 27.859 0.3 . 1 . . . . . 299 TRP CB . 28057 1 1277 . 1 . 1 266 266 TRP N N 15 111.441 0.3 . 1 . . . . . 299 TRP N . 28057 1 1278 . 1 . 1 267 267 TYR H H 1 8.654 0.020 . 1 . . . . . 300 TYR H . 28057 1 1279 . 1 . 1 267 267 TYR C C 13 177.043 0.3 . 1 . . . . . 300 TYR C . 28057 1 1280 . 1 . 1 267 267 TYR CA C 13 61.596 0.3 . 1 . . . . . 300 TYR CA . 28057 1 1281 . 1 . 1 267 267 TYR CB C 13 39.703 0.3 . 1 . . . . . 300 TYR CB . 28057 1 1282 . 1 . 1 267 267 TYR N N 15 116.024 0.3 . 1 . . . . . 300 TYR N . 28057 1 1283 . 1 . 1 268 268 LEU H H 1 7.973 0.020 . 1 . . . . . 301 LEU H . 28057 1 1284 . 1 . 1 268 268 LEU C C 13 176.007 0.3 . 1 . . . . . 301 LEU C . 28057 1 1285 . 1 . 1 268 268 LEU CA C 13 55.060 0.3 . 1 . . . . . 301 LEU CA . 28057 1 1286 . 1 . 1 268 268 LEU CB C 13 42.213 0.3 . 1 . . . . . 301 LEU CB . 28057 1 1287 . 1 . 1 268 268 LEU N N 15 112.637 0.3 . 1 . . . . . 301 LEU N . 28057 1 1288 . 1 . 1 269 269 SER H H 1 7.063 0.020 . 1 . . . . . 302 SER H . 28057 1 1289 . 1 . 1 269 269 SER C C 13 175.317 0.3 . 1 . . . . . 302 SER C . 28057 1 1290 . 1 . 1 269 269 SER CA C 13 53.596 0.3 . 1 . . . . . 302 SER CA . 28057 1 1291 . 1 . 1 269 269 SER CB C 13 62.920 0.3 . 1 . . . . . 302 SER CB . 28057 1 1292 . 1 . 1 269 269 SER N N 15 112.570 0.3 . 1 . . . . . 302 SER N . 28057 1 1293 . 1 . 1 270 270 GLY H H 1 8.166 0.020 . 1 . . . . . 303 GLY H . 28057 1 1294 . 1 . 1 270 270 GLY C C 13 174.438 0.3 . 1 . . . . . 303 GLY C . 28057 1 1295 . 1 . 1 270 270 GLY CA C 13 43.202 0.3 . 1 . . . . . 303 GLY CA . 28057 1 1296 . 1 . 1 270 270 GLY N N 15 106.261 0.3 . 1 . . . . . 303 GLY N . 28057 1 1297 . 1 . 1 271 271 GLY H H 1 8.795 0.020 . 1 . . . . . 304 GLY H . 28057 1 1298 . 1 . 1 271 271 GLY C C 13 173.277 0.3 . 1 . . . . . 304 GLY C . 28057 1 1299 . 1 . 1 271 271 GLY CA C 13 44.952 0.3 . 1 . . . . . 304 GLY CA . 28057 1 1300 . 1 . 1 271 271 GLY N N 15 106.726 0.3 . 1 . . . . . 304 GLY N . 28057 1 1301 . 1 . 1 272 272 GLY H H 1 7.218 0.020 . 1 . . . . . 305 GLY H . 28057 1 1302 . 1 . 1 272 272 GLY C C 13 176.290 0.3 . 1 . . . . . 305 GLY C . 28057 1 1303 . 1 . 1 272 272 GLY CA C 13 42.417 0.3 . 1 . . . . . 305 GLY CA . 28057 1 1304 . 1 . 1 272 272 GLY N N 15 102.343 0.3 . 1 . . . . . 305 GLY N . 28057 1 1305 . 1 . 1 273 273 LEU H H 1 7.906 0.020 . 1 . . . . . 306 LEU H . 28057 1 1306 . 1 . 1 273 273 LEU C C 13 178.282 0.3 . 1 . . . . . 306 LEU C . 28057 1 1307 . 1 . 1 273 273 LEU CA C 13 57.989 0.3 . 1 . . . . . 306 LEU CA . 28057 1 1308 . 1 . 1 273 273 LEU CB C 13 42.412 0.3 . 1 . . . . . 306 LEU CB . 28057 1 1309 . 1 . 1 273 273 LEU N N 15 121.470 0.3 . 1 . . . . . 306 LEU N . 28057 1 1310 . 1 . 1 274 274 GLU H H 1 8.795 0.020 . 1 . . . . . 307 GLU H . 28057 1 1311 . 1 . 1 274 274 GLU C C 13 178.423 0.3 . 1 . . . . . 307 GLU C . 28057 1 1312 . 1 . 1 274 274 GLU CA C 13 57.667 0.3 . 1 . . . . . 307 GLU CA . 28057 1 1313 . 1 . 1 274 274 GLU CB C 13 29.584 0.3 . 1 . . . . . 307 GLU CB . 28057 1 1314 . 1 . 1 274 274 GLU N N 15 119.145 0.3 . 1 . . . . . 307 GLU N . 28057 1 1315 . 1 . 1 275 275 SER H H 1 7.976 0.020 . 1 . . . . . 308 SER H . 28057 1 1316 . 1 . 1 275 275 SER C C 13 177.574 0.3 . 1 . . . . . 308 SER C . 28057 1 1317 . 1 . 1 275 275 SER CA C 13 59.953 0.3 . 1 . . . . . 308 SER CA . 28057 1 1318 . 1 . 1 275 275 SER CB C 13 60.331 0.3 . 1 . . . . . 308 SER CB . 28057 1 1319 . 1 . 1 275 275 SER N N 15 111.470 0.3 . 1 . . . . . 308 SER N . 28057 1 1320 . 1 . 1 276 276 THR H H 1 7.729 0.020 . 1 . . . . . 309 THR H . 28057 1 1321 . 1 . 1 276 276 THR C C 13 174.917 0.3 . 1 . . . . . 309 THR C . 28057 1 1322 . 1 . 1 276 276 THR CA C 13 67.704 0.3 . 1 . . . . . 309 THR CA . 28057 1 1323 . 1 . 1 276 276 THR CB C 13 66.805 0.3 . 1 . . . . . 309 THR CB . 28057 1 1324 . 1 . 1 276 276 THR N N 15 114.364 0.3 . 1 . . . . . 309 THR N . 28057 1 1325 . 1 . 1 277 277 LYS H H 1 6.515 0.020 . 1 . . . . . 310 LYS H . 28057 1 1326 . 1 . 1 277 277 LYS C C 13 178.659 0.3 . 1 . . . . . 310 LYS C . 28057 1 1327 . 1 . 1 277 277 LYS CA C 13 59.810 0.3 . 1 . . . . . 310 LYS CA . 28057 1 1328 . 1 . 1 277 277 LYS CB C 13 31.232 0.3 . 1 . . . . . 310 LYS CB . 28057 1 1329 . 1 . 1 277 277 LYS N N 15 121.071 0.3 . 1 . . . . . 310 LYS N . 28057 1 1330 . 1 . 1 278 278 LEU H H 1 7.988 0.020 . 1 . . . . . 311 LEU H . 28057 1 1331 . 1 . 1 278 278 LEU C C 13 180.165 0.3 . 1 . . . . . 311 LEU C . 28057 1 1332 . 1 . 1 278 278 LEU CA C 13 56.917 0.3 . 1 . . . . . 311 LEU CA . 28057 1 1333 . 1 . 1 278 278 LEU CB C 13 41.350 0.3 . 1 . . . . . 311 LEU CB . 28057 1 1334 . 1 . 1 278 278 LEU N N 15 117.618 0.3 . 1 . . . . . 311 LEU N . 28057 1 1335 . 1 . 1 279 279 MET H H 1 8.321 0.020 . 1 . . . . . 312 MET H . 28057 1 1336 . 1 . 1 279 279 MET C C 13 178.000 0.3 . 1 . . . . . 312 MET C . 28057 1 1337 . 1 . 1 279 279 MET CA C 13 59.668 0.3 . 1 . . . . . 312 MET CA . 28057 1 1338 . 1 . 1 279 279 MET CB C 13 32.957 0.3 . 1 . . . . . 312 MET CB . 28057 1 1339 . 1 . 1 279 279 MET N N 15 121.470 0.3 . 1 . . . . . 312 MET N . 28057 1 1340 . 1 . 1 280 280 ILE H H 1 7.831 0.020 . 1 . . . . . 313 ILE H . 28057 1 1341 . 1 . 1 280 280 ILE C C 13 178.518 0.3 . 1 . . . . . 313 ILE C . 28057 1 1342 . 1 . 1 280 280 ILE CA C 13 65.454 0.3 . 1 . . . . . 313 ILE CA . 28057 1 1343 . 1 . 1 280 280 ILE CB C 13 36.999 0.3 . 1 . . . . . 313 ILE CB . 28057 1 1344 . 1 . 1 280 280 ILE N N 15 117.920 0.3 . 1 . . . . . 313 ILE N . 28057 1 1345 . 1 . 1 281 281 GLU H H 1 7.870 0.020 . 1 . . . . . 314 GLU H . 28057 1 1346 . 1 . 1 281 281 GLU C C 13 179.443 0.3 . 1 . . . . . 314 GLU C . 28057 1 1347 . 1 . 1 281 281 GLU CA C 13 59.167 0.3 . 1 . . . . . 314 GLU CA . 28057 1 1348 . 1 . 1 281 281 GLU CB C 13 28.371 0.3 . 1 . . . . . 314 GLU CB . 28057 1 1349 . 1 . 1 281 281 GLU N N 15 118.993 0.3 . 1 . . . . . 314 GLU N . 28057 1 1350 . 1 . 1 282 282 ASP H H 1 7.872 0.020 . 1 . . . . . 315 ASP H . 28057 1 1351 . 1 . 1 282 282 ASP C C 13 178.683 0.3 . 1 . . . . . 315 ASP C . 28057 1 1352 . 1 . 1 282 282 ASP CA C 13 56.453 0.3 . 1 . . . . . 315 ASP CA . 28057 1 1353 . 1 . 1 282 282 ASP CB C 13 41.193 0.3 . 1 . . . . . 315 ASP CB . 28057 1 1354 . 1 . 1 282 282 ASP N N 15 119.008 0.3 . 1 . . . . . 315 ASP N . 28057 1 1355 . 1 . 1 283 283 ILE H H 1 7.388 0.020 . 1 . . . . . 316 ILE H . 28057 1 1356 . 1 . 1 283 283 ILE C C 13 177.874 0.3 . 1 . . . . . 316 ILE C . 28057 1 1357 . 1 . 1 283 283 ILE CA C 13 60.453 0.3 . 1 . . . . . 316 ILE CA . 28057 1 1358 . 1 . 1 283 283 ILE CB C 13 35.859 0.3 . 1 . . . . . 316 ILE CB . 28057 1 1359 . 1 . 1 283 283 ILE N N 15 112.836 0.3 . 1 . . . . . 316 ILE N . 28057 1 1360 . 1 . 1 284 284 GLN H H 1 8.269 0.020 . 1 . . . . . 317 GLN H . 28057 1 1361 . 1 . 1 284 284 GLN C C 13 179.428 0.3 . 1 . . . . . 317 GLN C . 28057 1 1362 . 1 . 1 284 284 GLN CA C 13 58.703 0.3 . 1 . . . . . 317 GLN CA . 28057 1 1363 . 1 . 1 284 284 GLN CB C 13 27.231 0.3 . 1 . . . . . 317 GLN CB . 28057 1 1364 . 1 . 1 284 284 GLN N N 15 118.614 0.3 . 1 . . . . . 317 GLN N . 28057 1 1365 . 1 . 1 285 285 LYS H H 1 8.047 0.020 . 1 . . . . . 318 LYS H . 28057 1 1366 . 1 . 1 285 285 LYS C C 13 177.847 0.3 . 1 . . . . . 318 LYS C . 28057 1 1367 . 1 . 1 285 285 LYS CA C 13 58.275 0.3 . 1 . . . . . 318 LYS CA . 28057 1 1368 . 1 . 1 285 285 LYS CB C 13 31.274 0.3 . 1 . . . . . 318 LYS CB . 28057 1 1369 . 1 . 1 285 285 LYS N N 15 116.024 0.3 . 1 . . . . . 318 LYS N . 28057 1 1370 . 1 . 1 286 286 ALA H H 1 7.625 0.020 . 1 . . . . . 319 ALA H . 28057 1 1371 . 1 . 1 286 286 ALA C C 13 177.702 0.3 . 1 . . . . . 319 ALA C . 28057 1 1372 . 1 . 1 286 286 ALA CA C 13 52.917 0.3 . 1 . . . . . 319 ALA CA . 28057 1 1373 . 1 . 1 286 286 ALA CB C 13 18.917 0.3 . 1 . . . . . 319 ALA CB . 28057 1 1374 . 1 . 1 286 286 ALA N N 15 118.946 0.3 . 1 . . . . . 319 ALA N . 28057 1 1375 . 1 . 1 287 287 LEU H H 1 7.507 0.020 . 1 . . . . . 320 LEU H . 28057 1 1376 . 1 . 1 287 287 LEU C C 13 176.196 0.3 . 1 . . . . . 320 LEU C . 28057 1 1377 . 1 . 1 287 287 LEU CA C 13 54.096 0.3 . 1 . . . . . 320 LEU CA . 28057 1 1378 . 1 . 1 287 287 LEU CB C 13 41.115 0.3 . 1 . . . . . 320 LEU CB . 28057 1 1379 . 1 . 1 287 287 LEU N N 15 116.954 0.3 . 1 . . . . . 320 LEU N . 28057 1 1380 . 1 . 1 288 288 LYS H H 1 7.115 0.020 . 1 . . . . . 321 LYS H . 28057 1 1381 . 1 . 1 288 288 LYS C C 13 181.420 0.3 . 1 . . . . . 321 LYS C . 28057 1 1382 . 1 . 1 288 288 LYS CA C 13 57.810 0.3 . 1 . . . . . 321 LYS CA . 28057 1 1383 . 1 . 1 288 288 LYS CB C 13 32.173 0.3 . 1 . . . . . 321 LYS CB . 28057 1 1384 . 1 . 1 288 288 LYS N N 15 124.658 0.3 . 1 . . . . . 321 LYS N . 28057 1 stop_ save_