data_28000 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural basis for client recognition and activity of Hsp40 chaperones ; _BMRB_accession_number 28000 _BMRB_flat_file_name bmr28000.str _Entry_type original _Submission_date 2019-08-16 _Accession_date 2019-08-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 jiang yajun . . 2 rossi paolo . . 3 kalodimos charalampos G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 217 "15N chemical shifts" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-11-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27998 'DnaJB1 SBD' 27999 'Sis1 SBD' 28001 'CbpA SBD' stop_ _Original_release_date 2019-08-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for client recognition and activity of Hsp40 chaperones ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31604242 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Yajun . . 2 Rossi Paolo . . 3 Kalodimos Charalampos G. . stop_ _Journal_abbreviation Science _Journal_volume 365 _Journal_issue 6459 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1313 _Page_last 1319 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ydj1_SBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ydj1_SBD $Ydj1-SBD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ydj1-SBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ydj1-SBD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; RGKDIKHEISASLEELYKGR TAKLALNKQILCKECEGRGG KKGAVKKCTSCNGQGIKFVT RQMGPMIQRFQTECDVCHGT GDIIDPKDRCKSCNGKKVEN ERKILEVHVEPGMKDGQRIV FKGEADQAPDVIPGDVVFIV SERPHKSFKRDGDDLVYEAE IDLLTAIAGGEFALEHVSGD WLKVGIVPGEVIAPGMRKVI EGKGMPIPKYGGYGNLIIKF TIKDPENHFTSEENLKKLEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 112 ARG 2 113 GLY 3 114 LYS 4 115 ASP 5 116 ILE 6 117 LYS 7 118 HIS 8 119 GLU 9 120 ILE 10 121 SER 11 122 ALA 12 123 SER 13 124 LEU 14 125 GLU 15 126 GLU 16 127 LEU 17 128 TYR 18 129 LYS 19 130 GLY 20 131 ARG 21 132 THR 22 133 ALA 23 134 LYS 24 135 LEU 25 136 ALA 26 137 LEU 27 138 ASN 28 139 LYS 29 140 GLN 30 141 ILE 31 142 LEU 32 143 CYS 33 144 LYS 34 145 GLU 35 146 CYS 36 147 GLU 37 148 GLY 38 149 ARG 39 150 GLY 40 151 GLY 41 152 LYS 42 153 LYS 43 154 GLY 44 155 ALA 45 156 VAL 46 157 LYS 47 158 LYS 48 159 CYS 49 160 THR 50 161 SER 51 162 CYS 52 163 ASN 53 164 GLY 54 165 GLN 55 166 GLY 56 167 ILE 57 168 LYS 58 169 PHE 59 170 VAL 60 171 THR 61 172 ARG 62 173 GLN 63 174 MET 64 175 GLY 65 176 PRO 66 177 MET 67 178 ILE 68 179 GLN 69 180 ARG 70 181 PHE 71 182 GLN 72 183 THR 73 184 GLU 74 185 CYS 75 186 ASP 76 187 VAL 77 188 CYS 78 189 HIS 79 190 GLY 80 191 THR 81 192 GLY 82 193 ASP 83 194 ILE 84 195 ILE 85 196 ASP 86 197 PRO 87 198 LYS 88 199 ASP 89 200 ARG 90 201 CYS 91 202 LYS 92 203 SER 93 204 CYS 94 205 ASN 95 206 GLY 96 207 LYS 97 208 LYS 98 209 VAL 99 210 GLU 100 211 ASN 101 212 GLU 102 213 ARG 103 214 LYS 104 215 ILE 105 216 LEU 106 217 GLU 107 218 VAL 108 219 HIS 109 220 VAL 110 221 GLU 111 222 PRO 112 223 GLY 113 224 MET 114 225 LYS 115 226 ASP 116 227 GLY 117 228 GLN 118 229 ARG 119 230 ILE 120 231 VAL 121 232 PHE 122 233 LYS 123 234 GLY 124 235 GLU 125 236 ALA 126 237 ASP 127 238 GLN 128 239 ALA 129 240 PRO 130 241 ASP 131 242 VAL 132 243 ILE 133 244 PRO 134 245 GLY 135 246 ASP 136 247 VAL 137 248 VAL 138 249 PHE 139 250 ILE 140 251 VAL 141 252 SER 142 253 GLU 143 254 ARG 144 255 PRO 145 256 HIS 146 257 LYS 147 258 SER 148 259 PHE 149 260 LYS 150 261 ARG 151 262 ASP 152 263 GLY 153 264 ASP 154 265 ASP 155 266 LEU 156 267 VAL 157 268 TYR 158 269 GLU 159 270 ALA 160 271 GLU 161 272 ILE 162 273 ASP 163 274 LEU 164 275 LEU 165 276 THR 166 277 ALA 167 278 ILE 168 279 ALA 169 280 GLY 170 281 GLY 171 282 GLU 172 283 PHE 173 284 ALA 174 285 LEU 175 286 GLU 176 287 HIS 177 288 VAL 178 289 SER 179 290 GLY 180 291 ASP 181 292 TRP 182 293 LEU 183 294 LYS 184 295 VAL 185 296 GLY 186 297 ILE 187 298 VAL 188 299 PRO 189 300 GLY 190 301 GLU 191 302 VAL 192 303 ILE 193 304 ALA 194 305 PRO 195 306 GLY 196 307 MET 197 308 ARG 198 309 LYS 199 310 VAL 200 311 ILE 201 312 GLU 202 313 GLY 203 314 LYS 204 315 GLY 205 316 MET 206 317 PRO 207 318 ILE 208 319 PRO 209 320 LYS 210 321 TYR 211 322 GLY 212 323 GLY 213 324 TYR 214 325 GLY 215 326 ASN 216 327 LEU 217 328 ILE 218 329 ILE 219 330 LYS 220 331 PHE 221 332 THR 222 333 ILE 223 334 LYS 224 335 ASP 225 336 PRO 226 337 GLU 227 338 ASN 228 339 HIS 229 340 PHE 230 341 THR 231 342 SER 232 343 GLU 233 344 GLU 234 345 ASN 235 346 LEU 236 347 LYS 237 348 LYS 238 349 LEU 239 350 GLU 240 351 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ydj1-SBD "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Ydj1-SBD 'recombinant technology' . Escherichia coli . pet16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ydj1-SBD 400 uM '[U-13C; U-15N; U-2H]' TRIS 20 mM 'natural abundance' 'potassium chloride' 75 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Ydj1_SBD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 112 1 ARG H H 8.418 0.00 . 2 112 1 ARG N N 123.675 0.00 . 3 113 2 GLY H H 9.121 0.00 . 4 113 2 GLY N N 115.650 0.00 . 5 114 3 LYS H H 8.136 0.00 . 6 114 3 LYS N N 118.920 0.00 . 7 115 4 ASP H H 7.138 0.00 . 8 115 4 ASP N N 115.707 0.00 . 9 117 6 LYS H H 8.204 0.00 . 10 117 6 LYS N N 126.708 0.00 . 11 118 7 HIS H H 8.771 0.00 . 12 118 7 HIS N N 123.751 0.00 . 13 119 8 GLU H H 8.643 0.00 . 14 119 8 GLU N N 124.154 0.00 . 15 120 9 ILE H H 8.903 0.00 . 16 120 9 ILE N N 124.550 0.00 . 17 121 10 SER H H 8.544 0.00 . 18 121 10 SER N N 123.112 0.00 . 19 122 11 ALA H H 8.917 0.00 . 20 122 11 ALA N N 129.829 0.00 . 21 123 12 SER H H 8.666 0.00 . 22 123 12 SER N N 117.754 0.00 . 23 124 13 LEU H H 9.881 0.00 . 24 124 13 LEU N N 120.308 0.00 . 25 125 14 GLU H H 9.633 0.00 . 26 125 14 GLU N N 118.672 0.00 . 27 126 15 GLU H H 7.689 0.00 . 28 126 15 GLU N N 121.016 0.00 . 29 127 16 LEU H H 8.311 0.00 . 30 127 16 LEU N N 118.031 0.00 . 31 128 17 TYR H H 8.249 0.00 . 32 128 17 TYR N N 122.096 0.00 . 33 129 18 LYS H H 7.308 0.00 . 34 129 18 LYS N N 114.248 0.00 . 35 130 19 GLY H H 8.045 0.00 . 36 130 19 GLY N N 109.952 0.00 . 37 131 20 ARG H H 8.517 0.00 . 38 131 20 ARG N N 117.668 0.00 . 39 132 21 THR H H 8.745 0.00 . 40 132 21 THR N N 121.706 0.00 . 41 133 22 ALA H H 8.992 0.00 . 42 133 22 ALA N N 131.629 0.00 . 43 134 23 LYS H H 8.320 0.00 . 44 134 23 LYS N N 122.189 0.00 . 45 135 24 LEU H H 8.384 0.22 . 46 135 24 LEU N N 125.773 1.43 . 47 136 25 ALA H H 8.261 0.00 . 48 136 25 ALA N N 125.392 0.00 . 49 137 26 LEU H H 8.577 0.46 . 50 137 26 LEU N N 123.843 1.85 . 51 138 27 ASN H H 8.393 0.12 . 52 138 27 ASN N N 121.559 2.21 . 53 139 28 LYS H H 8.175 0.00 . 54 139 28 LYS N N 121.563 0.00 . 55 141 30 ILE H H 8.863 0.00 . 56 141 30 ILE N N 121.276 0.00 . 57 142 31 LEU H H 8.052 0.00 . 58 142 31 LEU N N 125.930 0.00 . 59 144 33 LYS H H 8.823 0.00 . 60 144 33 LYS N N 129.373 0.00 . 61 145 34 GLU H H 8.610 0.00 . 62 145 34 GLU N N 122.885 0.00 . 63 148 37 GLY H H 8.268 0.00 . 64 148 37 GLY N N 106.942 0.00 . 65 149 38 ARG H H 7.923 0.00 . 66 149 38 ARG N N 120.066 0.00 . 67 150 39 GLY H H 8.827 0.00 . 68 150 39 GLY N N 117.488 0.00 . 69 151 40 GLY H H 8.215 0.00 . 70 151 40 GLY N N 109.094 0.00 . 71 152 41 LYS H H 7.854 0.00 . 72 152 41 LYS N N 121.528 0.00 . 73 153 42 LYS H H 8.196 0.00 . 74 153 42 LYS N N 121.372 0.00 . 75 154 43 GLY H H 8.327 0.00 . 76 154 43 GLY N N 107.870 0.00 . 77 155 44 ALA H H 7.893 0.00 . 78 155 44 ALA N N 122.386 0.00 . 79 156 45 VAL H H 7.425 0.00 . 80 156 45 VAL N N 118.815 0.00 . 81 157 46 LYS H H 8.359 0.00 . 82 157 46 LYS N N 127.625 0.00 . 83 158 47 LYS H H 8.310 0.00 . 84 158 47 LYS N N 122.090 0.00 . 85 159 48 CYS H H 8.332 0.00 . 86 159 48 CYS N N 126.750 0.00 . 87 160 49 THR H H 7.982 0.00 . 88 160 49 THR N N 120.596 0.00 . 89 161 50 SER H H 8.907 0.00 . 90 161 50 SER N N 122.169 0.00 . 91 162 51 CYS H H 7.557 0.00 . 92 162 51 CYS N N 115.823 0.00 . 93 163 52 ASN H H 7.748 0.00 . 94 163 52 ASN N N 122.489 0.00 . 95 164 53 GLY H H 8.460 0.00 . 96 164 53 GLY N N 107.113 0.00 . 97 165 54 GLN H H 7.832 0.00 . 98 165 54 GLN N N 118.892 0.00 . 99 166 55 GLY H H 9.926 0.00 . 100 166 55 GLY N N 112.317 0.00 . 101 167 56 ILE H H 6.663 0.00 . 102 167 56 ILE N N 116.401 0.00 . 103 168 57 LYS H H 8.736 0.00 . 104 168 57 LYS N N 122.811 0.00 . 105 169 58 PHE H H 8.591 0.00 . 106 169 58 PHE N N 120.729 0.00 . 107 170 59 VAL H H 8.832 0.00 . 108 170 59 VAL N N 122.423 0.00 . 109 171 60 THR H H 8.286 0.00 . 110 171 60 THR N N 117.857 0.00 . 111 172 61 ARG H H 8.989 0.00 . 112 172 61 ARG N N 124.161 0.00 . 113 173 62 GLN H H 8.720 0.00 . 114 173 62 GLN N N 124.821 0.00 . 115 174 63 MET H H 8.770 0.00 . 116 174 63 MET N N 128.601 0.00 . 117 177 66 MET H H 7.540 0.00 . 118 177 66 MET N N 119.594 0.00 . 119 178 67 ILE H H 8.300 0.00 . 120 178 67 ILE N N 123.398 0.00 . 121 179 68 GLN H H 8.724 0.00 . 122 179 68 GLN N N 126.838 0.00 . 123 180 69 ARG H H 8.394 0.00 . 124 180 69 ARG N N 123.818 0.00 . 125 181 70 PHE H H 8.970 0.00 . 126 181 70 PHE N N 123.434 0.00 . 127 182 71 GLN H H 8.611 0.00 . 128 182 71 GLN N N 121.620 0.00 . 129 183 72 THR H H 8.599 0.00 . 130 183 72 THR N N 118.018 0.00 . 131 184 73 GLU H H 8.247 0.00 . 132 184 73 GLU N N 123.982 0.00 . 133 185 74 CYS H H 7.997 0.00 . 134 185 74 CYS N N 127.380 0.00 . 135 186 75 ASP H H 8.664 0.00 . 136 186 75 ASP N N 127.755 0.00 . 137 187 76 VAL H H 8.614 0.00 . 138 187 76 VAL N N 124.174 0.00 . 139 188 77 CYS H H 7.578 0.00 . 140 188 77 CYS N N 116.264 0.00 . 141 189 78 HIS H H 7.380 0.00 . 142 189 78 HIS N N 120.226 0.00 . 143 190 79 GLY H H 7.999 0.00 . 144 190 79 GLY N N 104.849 0.00 . 145 191 80 THR H H 7.649 0.00 . 146 191 80 THR N N 111.438 0.00 . 147 192 81 GLY H H 9.487 0.00 . 148 192 81 GLY N N 115.253 0.00 . 149 193 82 ASP H H 8.070 0.00 . 150 193 82 ASP N N 121.198 0.00 . 151 194 83 ILE H H 8.999 0.00 . 152 194 83 ILE N N 119.091 0.00 . 153 195 84 ILE H H 8.128 0.00 . 154 195 84 ILE N N 125.613 0.00 . 155 196 85 ASP H H 9.317 0.00 . 156 196 85 ASP N N 131.981 0.00 . 157 198 87 LYS H H 8.681 0.00 . 158 198 87 LYS N N 116.455 0.00 . 159 199 88 ASP H H 8.074 0.00 . 160 199 88 ASP N N 118.681 0.00 . 161 200 89 ARG H H 7.038 0.00 . 162 200 89 ARG N N 121.453 0.00 . 163 201 90 CYS H H 8.043 0.00 . 164 201 90 CYS N N 128.655 0.00 . 165 202 91 LYS H H 8.948 0.00 . 166 202 91 LYS N N 129.698 0.00 . 167 203 92 SER H H 8.863 0.00 . 168 203 92 SER N N 118.954 0.00 . 169 206 95 GLY H H 8.232 0.00 . 170 206 95 GLY N N 109.423 0.00 . 171 207 96 LYS H H 8.111 0.00 . 172 207 96 LYS N N 119.030 0.00 . 173 208 97 LYS H H 8.407 0.07 . 174 208 97 LYS N N 121.642 0.53 . 175 210 99 GLU H H 8.495 0.00 . 176 210 99 GLU N N 125.795 0.00 . 177 211 100 ASN H H 8.482 0.00 . 178 211 100 ASN N N 119.715 0.00 . 179 212 101 GLU H H 8.750 0.32 . 180 212 101 GLU N N 123.755 1.27 . 181 213 102 ARG H H 8.417 0.00 . 182 213 102 ARG N N 127.261 0.00 . 183 214 103 LYS H H 8.422 0.48 . 184 214 103 LYS N N 129.111 0.07 . 185 215 104 ILE H H 8.417 0.00 . 186 215 104 ILE N N 125.028 0.00 . 187 216 105 LEU H H 8.843 0.00 . 188 216 105 LEU N N 129.502 0.00 . 189 217 106 GLU H H 8.287 0.00 . 190 217 106 GLU N N 122.771 0.00 . 191 218 107 VAL H H 8.771 0.00 . 192 218 107 VAL N N 126.627 0.00 . 193 219 108 HIS H H 9.007 0.00 . 194 219 108 HIS N N 127.199 0.00 . 195 220 109 VAL H H 8.811 0.00 . 196 220 109 VAL N N 128.232 0.00 . 197 221 110 GLU H H 7.489 0.00 . 198 221 110 GLU N N 129.806 0.00 . 199 223 112 GLY H H 9.373 0.00 . 200 223 112 GLY N N 110.857 0.00 . 201 224 113 MET H H 7.594 0.00 . 202 224 113 MET N N 119.536 0.00 . 203 225 114 LYS H H 7.964 0.00 . 204 225 114 LYS N N 118.964 0.00 . 205 226 115 ASP H H 8.691 0.00 . 206 226 115 ASP N N 118.874 0.00 . 207 227 116 GLY H H 9.308 0.00 . 208 227 116 GLY N N 116.026 0.00 . 209 228 117 GLN H H 8.108 0.00 . 210 228 117 GLN N N 122.407 0.00 . 211 229 118 ARG H H 8.309 0.00 . 212 229 118 ARG N N 121.802 0.00 . 213 230 119 ILE H H 9.573 0.00 . 214 230 119 ILE N N 127.222 0.00 . 215 231 120 VAL H H 8.540 0.00 . 216 231 120 VAL N N 127.044 0.00 . 217 232 121 PHE H H 9.754 0.00 . 218 232 121 PHE N N 129.734 0.00 . 219 233 122 LYS H H 8.667 0.00 . 220 233 122 LYS N N 126.820 0.00 . 221 234 123 GLY H H 9.713 0.00 . 222 234 123 GLY N N 114.158 0.00 . 223 235 124 GLU H H 6.671 0.00 . 224 235 124 GLU N N 117.858 0.00 . 225 236 125 ALA H H 7.826 0.00 . 226 236 125 ALA N N 120.441 0.00 . 227 238 127 GLN H H 7.913 0.00 . 228 238 127 GLN N N 128.107 0.00 . 229 239 128 ALA H H 8.316 0.00 . 230 239 128 ALA N N 127.366 0.00 . 231 241 130 ASP H H 8.668 0.00 . 232 241 130 ASP N N 116.637 0.00 . 233 242 131 VAL H H 7.435 0.00 . 234 242 131 VAL N N 117.876 0.00 . 235 243 132 ILE H H 8.620 0.00 . 236 243 132 ILE N N 130.387 0.00 . 237 245 134 GLY H H 8.970 0.00 . 238 245 134 GLY N N 108.235 0.00 . 239 246 135 ASP H H 8.836 0.00 . 240 246 135 ASP N N 118.946 0.00 . 241 247 136 VAL H H 8.154 0.00 . 242 247 136 VAL N N 120.620 0.00 . 243 248 137 VAL H H 9.076 0.00 . 244 248 137 VAL N N 129.508 0.00 . 245 249 138 PHE H H 9.341 0.00 . 246 249 138 PHE N N 125.666 0.00 . 247 250 139 ILE H H 8.668 0.00 . 248 250 139 ILE N N 122.852 0.00 . 249 251 140 VAL H H 8.833 0.00 . 250 251 140 VAL N N 129.504 0.00 . 251 252 141 SER H H 8.856 0.00 . 252 252 141 SER N N 125.753 0.00 . 253 253 142 GLU H H 9.122 0.00 . 254 253 142 GLU N N 129.496 0.00 . 255 254 143 ARG H H 8.675 0.00 . 256 254 143 ARG N N 129.539 0.00 . 257 256 145 HIS H H 9.153 0.00 . 258 256 145 HIS N N 127.523 0.00 . 259 257 146 LYS H H 7.953 0.10 . 260 257 146 LYS N N 123.019 2.39 . 261 259 148 PHE H H 8.877 0.00 . 262 259 148 PHE N N 123.926 0.00 . 263 260 149 LYS H H 8.692 0.00 . 264 260 149 LYS N N 119.907 0.00 . 265 261 150 ARG H H 9.118 0.00 . 266 261 150 ARG N N 125.561 0.00 . 267 262 151 ASP H H 8.636 0.00 . 268 262 151 ASP N N 129.859 0.00 . 269 263 152 GLY H H 8.867 0.00 . 270 263 152 GLY N N 114.557 0.00 . 271 264 153 ASP H H 9.164 0.00 . 272 264 153 ASP N N 129.258 0.00 . 273 265 154 ASP H H 8.176 0.00 . 274 265 154 ASP N N 121.796 0.00 . 275 266 155 LEU H H 8.625 0.00 . 276 266 155 LEU N N 118.745 0.00 . 277 267 156 VAL H H 9.249 0.00 . 278 267 156 VAL N N 121.768 0.00 . 279 268 157 TYR H H 9.328 0.00 . 280 268 157 TYR N N 131.403 0.00 . 281 269 158 GLU H H 7.772 0.00 . 282 269 158 GLU N N 128.158 0.00 . 283 270 159 ALA H H 8.399 0.00 . 284 270 159 ALA N N 128.179 0.00 . 285 271 160 GLU H H 8.190 0.00 . 286 271 160 GLU N N 123.538 0.00 . 287 272 161 ILE H H 8.638 0.00 . 288 272 161 ILE N N 119.386 0.00 . 289 273 162 ASP H H 8.234 0.00 . 290 273 162 ASP N N 120.852 0.00 . 291 274 163 LEU H H 8.838 0.00 . 292 274 163 LEU N N 123.114 0.00 . 293 275 164 LEU H H 8.092 0.00 . 294 275 164 LEU N N 117.208 0.00 . 295 276 165 THR H H 7.666 0.00 . 296 276 165 THR N N 117.612 0.00 . 297 277 166 ALA H H 7.812 0.00 . 298 277 166 ALA N N 123.098 0.00 . 299 278 167 ILE H H 8.138 0.00 . 300 278 167 ILE N N 117.081 0.00 . 301 279 168 ALA H H 8.425 0.00 . 302 279 168 ALA N N 120.884 0.00 . 303 280 169 GLY H H 8.131 0.00 . 304 280 169 GLY N N 108.342 0.00 . 305 281 170 GLY H H 8.178 0.00 . 306 281 170 GLY N N 104.429 0.00 . 307 282 171 GLU H H 8.502 0.00 . 308 282 171 GLU N N 121.427 0.00 . 309 283 172 PHE H H 8.766 0.00 . 310 283 172 PHE N N 122.128 0.00 . 311 284 173 ALA H H 8.309 0.00 . 312 284 173 ALA N N 125.337 0.00 . 313 285 174 LEU H H 8.763 0.00 . 314 285 174 LEU N N 120.057 0.00 . 315 286 175 GLU H H 8.144 0.00 . 316 286 175 GLU N N 126.432 0.00 . 317 287 176 HIS H H 8.465 0.00 . 318 287 176 HIS N N 127.861 0.00 . 319 288 177 VAL H H 9.056 0.00 . 320 288 177 VAL N N 127.185 0.00 . 321 289 178 SER H H 8.757 0.00 . 322 289 178 SER N N 117.292 0.00 . 323 290 179 GLY H H 7.852 0.00 . 324 290 179 GLY N N 111.185 0.00 . 325 291 180 ASP H H 7.426 0.00 . 326 291 180 ASP N N 120.412 0.00 . 327 292 181 TRP H H 8.717 0.00 . 328 292 181 TRP HE1 H 9.993 0.00 . 329 292 181 TRP N N 122.011 0.00 . 330 292 181 TRP NE1 N 129.965 0.00 . 331 293 182 LEU H H 9.240 0.00 . 332 293 182 LEU N N 126.457 0.00 . 333 294 183 LYS H H 8.339 0.00 . 334 294 183 LYS N N 123.852 0.00 . 335 295 184 VAL H H 8.872 0.00 . 336 295 184 VAL N N 126.467 0.00 . 337 296 185 GLY H H 8.402 0.00 . 338 296 185 GLY N N 114.198 0.00 . 339 297 186 ILE H H 8.575 0.00 . 340 297 186 ILE N N 121.485 0.00 . 341 298 187 VAL H H 9.037 0.00 . 342 298 187 VAL N N 126.192 0.00 . 343 300 189 GLY H H 8.026 0.00 . 344 300 189 GLY N N 112.504 0.00 . 345 301 190 GLU H H 7.769 0.00 . 346 301 190 GLU N N 121.584 0.00 . 347 302 191 VAL H H 8.675 0.00 . 348 302 191 VAL N N 121.123 0.00 . 349 303 192 ILE H H 8.472 0.00 . 350 303 192 ILE N N 125.103 0.00 . 351 304 193 ALA H H 7.249 0.00 . 352 304 193 ALA N N 125.303 0.00 . 353 306 195 GLY H H 7.970 0.00 . 354 306 195 GLY N N 112.446 0.00 . 355 307 196 MET H H 7.812 0.00 . 356 307 196 MET N N 124.240 0.00 . 357 309 198 LYS H H 9.096 0.00 . 358 309 198 LYS N N 123.848 0.00 . 359 310 199 VAL H H 8.769 0.00 . 360 310 199 VAL N N 126.738 0.00 . 361 311 200 ILE H H 9.828 0.00 . 362 311 200 ILE N N 130.439 0.00 . 363 312 201 GLU H H 8.991 0.00 . 364 312 201 GLU N N 130.741 0.00 . 365 313 202 GLY H H 8.542 0.00 . 366 313 202 GLY N N 111.201 0.00 . 367 314 203 LYS H H 6.558 0.00 . 368 314 203 LYS N N 115.104 0.00 . 369 315 204 GLY H H 8.034 0.00 . 370 315 204 GLY N N 110.435 0.00 . 371 316 205 MET H H 8.305 0.00 . 372 316 205 MET N N 117.254 0.00 . 373 318 207 ILE H H 7.535 0.00 . 374 318 207 ILE N N 123.982 0.00 . 375 320 209 LYS H H 8.667 0.00 . 376 320 209 LYS N N 118.293 0.00 . 377 321 210 TYR H H 8.237 0.00 . 378 321 210 TYR N N 119.561 0.00 . 379 322 211 GLY H H 7.233 0.00 . 380 322 211 GLY N N 106.314 0.00 . 381 323 212 GLY H H 7.426 0.00 . 382 323 212 GLY N N 104.211 0.00 . 383 324 213 TYR H H 8.332 0.00 . 384 324 213 TYR N N 118.199 0.00 . 385 325 214 GLY H H 8.880 0.00 . 386 325 214 GLY N N 106.652 0.00 . 387 326 215 ASN H H 9.626 0.00 . 388 326 215 ASN N N 119.041 0.00 . 389 327 216 LEU H H 8.135 0.00 . 390 327 216 LEU N N 121.247 0.00 . 391 328 217 ILE H H 9.699 0.00 . 392 328 217 ILE N N 130.007 0.00 . 393 329 218 ILE H H 9.216 0.00 . 394 329 218 ILE N N 126.899 0.00 . 395 330 219 LYS H H 8.476 0.00 . 396 330 219 LYS N N 126.262 0.00 . 397 331 220 PHE H H 8.669 0.00 . 398 331 220 PHE N N 121.757 0.00 . 399 332 221 THR H H 8.672 0.00 . 400 332 221 THR N N 118.782 0.00 . 401 333 222 ILE H H 8.536 0.00 . 402 333 222 ILE N N 125.840 0.00 . 403 334 223 LYS H H 8.652 0.00 . 404 334 223 LYS N N 129.532 0.00 . 405 335 224 ASP H H 8.633 0.00 . 406 335 224 ASP N N 125.049 0.00 . 407 337 226 GLU H H 8.392 0.00 . 408 337 226 GLU N N 119.668 0.00 . 409 338 227 ASN H H 8.071 0.00 . 410 338 227 ASN N N 119.160 0.00 . 411 340 229 PHE H H 8.290 0.00 . 412 340 229 PHE N N 121.808 0.00 . 413 341 230 THR H H 8.035 0.00 . 414 341 230 THR N N 116.425 0.00 . 415 342 231 SER H H 8.241 0.00 . 416 342 231 SER N N 118.605 0.00 . 417 343 232 GLU H H 8.461 0.00 . 418 343 232 GLU N N 123.332 0.00 . 419 344 233 GLU H H 8.324 0.00 . 420 344 233 GLU N N 121.532 0.00 . 421 345 234 ASN H H 8.279 0.00 . 422 345 234 ASN N N 119.396 0.00 . 423 346 235 LEU H H 7.965 0.00 . 424 346 235 LEU N N 122.511 0.00 . 425 347 236 LYS H H 8.014 0.00 . 426 347 236 LYS N N 122.207 0.00 . 427 348 237 LYS H H 8.121 0.00 . 428 348 237 LYS N N 123.373 0.00 . 429 349 238 LEU H H 8.157 0.00 . 430 349 238 LEU N N 124.079 0.00 . 431 350 239 GLU H H 8.206 0.00 . 432 350 239 GLU N N 122.220 0.00 . 433 351 240 GLU H H 7.850 0.00 . 434 351 240 GLU N N 127.473 0.00 . stop_ save_