data_27299 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; hnRNPA2 P298L low complexity domain 190-341 backbone and Cbeta chemical shifts ; _BMRB_accession_number 27299 _BMRB_flat_file_name bmr27299.str _Entry_type original _Submission_date 2017-11-02 _Accession_date 2017-11-02 _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 Ryan Veronica . . 2 Fawzi Nicolas . . 3 Burke Kathleen . . 4 Silva Rute . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "13C chemical shifts" 360 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-01 update BMRB 'update entry citation' 2018-01-11 original author 'original release' stop_ _Original_release_date 2017-11-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Disease mutation, protein interactions, and posttranslational modifications modulate hnRNPA2 liquid-liquid phase separation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29358076 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryan Veronica H. . 2 Dignon Gregory L. . 3 Zerze Gul H. . 4 Chabata Charlene V. . 5 Silva Rute . . 6 Conicella Alexander E. . 7 Amaya Joshua . . 8 Burke Kathleen A. . 9 Mittal Jeetain . . 10 Fawzi Nicolas L. . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 69 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 465 _Page_last 479 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hnRNPA2 LC P298L disordered monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hnRNPA2 LC P298L disordered monomer' $hnRNPA2_LC_P298L_disordered_monomer stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hnRNPA2_LC_P298L_disordered_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hnRNPA2_LC_P298L_disordered_monomer _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; GHMGRGGNFGFGDSRGGGGN FGPGPGSNFRGGSDGYGSGR GFGDGYNGYGGGPGGGNFGG SPGYGGGRGGYGGGGPGYGN QGGGYGGGYDNYGGGNYGSG NYNDFGNYNQQLSNYGPMKS GNFGGSRNMGGPYGGGNYGP GGSGGSGGYGGRSRY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 HIS 3 3 MET 4 190 GLY 5 191 ARG 6 192 GLY 7 193 GLY 8 194 ASN 9 195 PHE 10 196 GLY 11 197 PHE 12 198 GLY 13 199 ASP 14 200 SER 15 201 ARG 16 202 GLY 17 203 GLY 18 204 GLY 19 205 GLY 20 206 ASN 21 207 PHE 22 208 GLY 23 209 PRO 24 210 GLY 25 211 PRO 26 212 GLY 27 213 SER 28 214 ASN 29 215 PHE 30 216 ARG 31 217 GLY 32 218 GLY 33 219 SER 34 220 ASP 35 221 GLY 36 222 TYR 37 223 GLY 38 224 SER 39 225 GLY 40 226 ARG 41 227 GLY 42 228 PHE 43 229 GLY 44 230 ASP 45 231 GLY 46 232 TYR 47 233 ASN 48 234 GLY 49 235 TYR 50 236 GLY 51 237 GLY 52 238 GLY 53 239 PRO 54 240 GLY 55 241 GLY 56 242 GLY 57 243 ASN 58 244 PHE 59 245 GLY 60 246 GLY 61 247 SER 62 248 PRO 63 249 GLY 64 250 TYR 65 251 GLY 66 252 GLY 67 253 GLY 68 254 ARG 69 255 GLY 70 256 GLY 71 257 TYR 72 258 GLY 73 259 GLY 74 260 GLY 75 261 GLY 76 262 PRO 77 263 GLY 78 264 TYR 79 265 GLY 80 266 ASN 81 267 GLN 82 268 GLY 83 269 GLY 84 270 GLY 85 271 TYR 86 272 GLY 87 273 GLY 88 274 GLY 89 275 TYR 90 276 ASP 91 277 ASN 92 278 TYR 93 279 GLY 94 280 GLY 95 281 GLY 96 282 ASN 97 283 TYR 98 284 GLY 99 285 SER 100 286 GLY 101 287 ASN 102 288 TYR 103 289 ASN 104 290 ASP 105 291 PHE 106 292 GLY 107 293 ASN 108 294 TYR 109 295 ASN 110 296 GLN 111 297 GLN 112 298 LEU 113 299 SER 114 300 ASN 115 301 TYR 116 302 GLY 117 303 PRO 118 304 MET 119 305 LYS 120 306 SER 121 307 GLY 122 308 ASN 123 309 PHE 124 310 GLY 125 311 GLY 126 312 SER 127 313 ARG 128 314 ASN 129 315 MET 130 316 GLY 131 317 GLY 132 318 PRO 133 319 TYR 134 320 GLY 135 321 GLY 136 322 GLY 137 323 ASN 138 324 TYR 139 325 GLY 140 326 PRO 141 327 GLY 142 328 GLY 143 329 SER 144 330 GLY 145 331 GLY 146 332 SER 147 333 GLY 148 334 GLY 149 335 TYR 150 336 GLY 151 337 GLY 152 338 ARG 153 339 SER 154 340 ARG 155 341 TYR 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 $hnRNPA2_LC_P298L_disordered_monomer Human 9606 Eukaryota Metazoa Homo sapiens 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 $hnRNPA2_LC_P298L_disordered_monomer 'recombinant technology' . Escherichia coli . hnRNPA2_LC_P298L_pJ411 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM MES pH 5.5 with Bis Tris' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hnRNPA2_LC_P298L_disordered_monomer 50 uM '[U-99% 13C; U-99% 15N]' D2O 10 % [U-2H] MES 20 mM 'natural abundance' Bis-Tris 1 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address Wuthrich . . 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 850 _Details 'TCI cryoprobe' 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 pH 5.5 . 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 '1H shifts externally referenced, 15N and 13C shifts indirectly referenced' 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 na C 13 protons ppm 0.00 na indirect . . . . DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 na N 15 protons ppm 0.00 na indirect . . . . 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' '3D HNCO' '3D HNCACO' '3D CBCA(CO)NH' '3D HNCACB' 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 'hnRNPA2 LC P298L disordered monomer' _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 1 190 4 GLY H H 8.415 0.020 1 2 190 4 GLY C C 173.900 0.3 1 3 190 4 GLY CA C 45.082 0.3 1 4 190 4 GLY N N 110.384 0.3 1 5 191 5 ARG H H 8.288 0.020 1 6 191 5 ARG C C 176.837 0.3 1 7 191 5 ARG CA C 56.153 0.3 1 8 191 5 ARG CB C 30.772 0.3 1 9 191 5 ARG N N 120.563 0.3 1 10 192 6 GLY H H 8.481 0.020 1 11 192 6 GLY C C 174.365 0.3 1 12 192 6 GLY CA C 45.130 0.3 1 13 192 6 GLY N N 110.004 0.3 1 14 193 7 GLY H H 8.173 0.020 1 15 193 7 GLY C C 173.662 0.3 1 16 193 7 GLY CA C 45.155 0.3 1 17 193 7 GLY N N 108.263 0.3 1 18 194 8 ASN H H 8.240 0.020 1 19 194 8 ASN C C 174.837 0.3 1 20 194 8 ASN CA C 53.006 0.3 1 21 194 8 ASN CB C 38.660 0.3 1 22 194 8 ASN N N 118.482 0.3 1 23 195 9 PHE H H 8.183 0.020 1 24 195 9 PHE C C 175.954 0.3 1 25 195 9 PHE CA C 57.803 0.3 1 26 195 9 PHE CB C 39.331 0.3 1 27 195 9 PHE N N 120.216 0.3 1 28 196 10 GLY H H 8.219 0.020 1 29 196 10 GLY C C 173.749 0.3 1 30 196 10 GLY CA C 45.048 0.3 1 31 196 10 GLY N N 109.824 0.3 1 32 197 11 PHE H H 8.077 0.020 1 33 197 11 PHE C C 176.357 0.3 1 34 197 11 PHE CA C 57.882 0.3 1 35 197 11 PHE CB C 39.471 0.3 1 36 197 11 PHE N N 119.716 0.3 1 37 198 12 GLY H H 8.374 0.020 1 38 198 12 GLY C C 173.696 0.3 1 39 198 12 GLY CA C 45.341 0.3 1 40 198 12 GLY N N 110.339 0.3 1 41 199 13 ASP H H 8.143 0.020 1 42 199 13 ASP C C 176.632 0.3 1 43 199 13 ASP CA C 54.033 0.3 1 44 199 13 ASP CB C 41.404 0.3 1 45 199 13 ASP N N 120.531 0.3 1 46 200 14 SER H H 8.371 0.020 1 47 200 14 SER C C 174.969 0.3 1 48 200 14 SER CA C 58.797 0.3 1 49 200 14 SER CB C 63.538 0.3 1 50 200 14 SER N N 116.875 0.3 1 51 201 15 ARG H H 8.383 0.020 1 52 201 15 ARG C C 176.982 0.3 1 53 201 15 ARG CA C 56.484 0.3 1 54 201 15 ARG CB C 30.285 0.3 1 55 201 15 ARG N N 122.305 0.3 1 56 202 16 GLY H H 8.277 0.020 1 57 202 16 GLY C C 174.632 0.3 1 58 202 16 GLY CA C 45.309 0.3 1 59 202 16 GLY N N 108.902 0.3 1 60 203 17 GLY H H 8.238 0.020 1 61 203 17 GLY C C 174.729 0.3 1 62 203 17 GLY CA C 45.275 0.3 1 63 203 17 GLY N N 108.645 0.3 1 64 204 18 GLY H H 8.309 0.020 1 65 204 18 GLY C C 174.545 0.3 1 66 204 18 GLY CA C 45.202 0.3 1 67 204 18 GLY N N 108.609 0.3 1 68 205 19 GLY H H 8.210 0.020 1 69 205 19 GLY C C 173.598 0.3 1 70 205 19 GLY CA C 45.168 0.3 1 71 205 19 GLY N N 108.337 0.3 1 72 206 20 ASN H H 8.182 0.020 1 73 206 20 ASN C C 174.660 0.3 1 74 206 20 ASN CA C 52.977 0.3 1 75 206 20 ASN CB C 38.668 0.3 1 76 206 20 ASN N N 118.396 0.3 1 77 207 21 PHE H H 8.201 0.020 1 78 207 21 PHE C C 175.739 0.3 1 79 207 21 PHE CA C 57.483 0.3 1 80 207 21 PHE CB C 39.606 0.3 1 81 207 21 PHE N N 120.298 0.3 1 82 208 22 GLY H H 8.112 0.020 1 83 208 22 GLY C C 177.576 0.3 1 84 208 22 GLY CA C 44.494 0.3 1 85 208 22 GLY N N 109.919 0.3 1 86 210 24 GLY H H 8.248 0.020 1 87 210 24 GLY C C 177.941 0.3 1 88 210 24 GLY CA C 44.479 0.3 1 89 210 24 GLY N N 109.028 0.3 1 90 212 26 GLY H H 8.498 0.020 1 91 212 26 GLY C C 174.352 0.3 1 92 212 26 GLY CA C 45.263 0.3 1 93 212 26 GLY N N 109.341 0.3 1 94 213 27 SER H H 8.084 0.020 1 95 213 27 SER C C 174.332 0.3 1 96 213 27 SER CA C 58.467 0.3 1 97 213 27 SER CB C 63.784 0.3 1 98 213 27 SER N N 115.133 0.3 1 99 214 28 ASN H H 8.407 0.020 1 100 214 28 ASN C C 174.757 0.3 1 101 214 28 ASN CA C 53.150 0.3 1 102 214 28 ASN CB C 38.496 0.3 1 103 214 28 ASN N N 120.082 0.3 1 104 215 29 PHE H H 8.097 0.020 1 105 215 29 PHE C C 175.623 0.3 1 106 215 29 PHE CA C 58.109 0.3 1 107 215 29 PHE CB C 39.284 0.3 1 108 215 29 PHE N N 120.475 0.3 1 109 216 30 ARG H H 8.211 0.020 1 110 216 30 ARG C C 176.210 0.3 1 111 216 30 ARG CA C 55.848 0.3 1 112 216 30 ARG CB C 30.588 0.3 1 113 216 30 ARG N N 123.222 0.3 1 114 217 31 GLY H H 7.803 0.020 1 115 217 31 GLY C C 174.328 0.3 1 116 217 31 GLY CA C 45.272 0.3 1 117 217 31 GLY N N 109.072 0.3 1 118 218 32 GLY H H 8.215 0.020 1 119 218 32 GLY C C 174.405 0.3 1 120 218 32 GLY CA C 45.223 0.3 1 121 218 32 GLY N N 108.592 0.3 1 122 219 33 SER H H 8.304 0.020 1 123 219 33 SER C C 174.394 0.3 1 124 219 33 SER CA C 58.461 0.3 1 125 219 33 SER CB C 63.813 0.3 1 126 219 33 SER N N 115.570 0.3 1 127 220 34 ASP H H 8.350 0.020 1 128 220 34 ASP C C 176.543 0.3 1 129 220 34 ASP CA C 54.355 0.3 1 130 220 34 ASP CB C 41.095 0.3 1 131 220 34 ASP N N 121.543 0.3 1 132 221 35 GLY H H 8.151 0.020 1 133 221 35 GLY C C 174.154 0.3 1 134 221 35 GLY CA C 45.180 0.3 1 135 221 35 GLY N N 108.299 0.3 1 136 222 36 TYR H H 8.133 0.020 1 137 222 36 TYR C C 176.587 0.3 1 138 222 36 TYR CA C 58.297 0.3 1 139 222 36 TYR CB C 38.636 0.3 1 140 222 36 TYR N N 120.211 0.3 1 141 223 37 GLY H H 8.306 0.020 1 142 223 37 GLY C C 174.219 0.3 1 143 223 37 GLY CA C 45.302 0.3 1 144 223 37 GLY N N 110.438 0.3 1 145 224 38 SER H H 8.196 0.020 1 146 224 38 SER C C 175.092 0.3 1 147 224 38 SER CA C 58.467 0.3 1 148 224 38 SER CB C 63.847 0.3 1 149 224 38 SER N N 115.585 0.3 1 150 225 39 GLY H H 8.432 0.020 1 151 225 39 GLY C C 174.092 0.3 1 152 225 39 GLY CA C 45.306 0.3 1 153 225 39 GLY N N 110.567 0.3 1 154 226 40 ARG H H 8.107 0.020 1 155 226 40 ARG C C 176.469 0.3 1 156 226 40 ARG CA C 56.012 0.3 1 157 226 40 ARG CB C 30.668 0.3 1 158 226 40 ARG N N 120.013 0.3 1 159 227 41 GLY H H 8.318 0.020 1 160 227 41 GLY C C 173.659 0.3 1 161 227 41 GLY CA C 44.966 0.3 1 162 227 41 GLY N N 109.388 0.3 1 163 228 42 PHE H H 8.069 0.020 1 164 228 42 PHE C C 176.236 0.3 1 165 228 42 PHE CA C 57.808 0.3 1 166 228 42 PHE CB C 39.525 0.3 1 167 228 42 PHE N N 119.539 0.3 1 168 229 43 GLY H H 8.343 0.020 1 169 229 43 GLY C C 173.844 0.3 1 170 229 43 GLY CA C 45.207 0.3 1 171 229 43 GLY N N 110.161 0.3 1 172 230 44 ASP H H 8.185 0.020 1 173 230 44 ASP C C 176.726 0.3 1 174 230 44 ASP CA C 54.500 0.3 1 175 230 44 ASP CB C 41.172 0.3 1 176 230 44 ASP N N 120.281 0.3 1 177 231 45 GLY H H 8.337 0.020 1 178 231 45 GLY C C 174.070 0.3 1 179 231 45 GLY CA C 45.334 0.3 1 180 231 45 GLY N N 108.792 0.3 1 181 232 46 TYR H H 8.077 0.020 1 182 232 46 TYR C C 175.718 0.3 1 183 232 46 TYR CA C 58.298 0.3 1 184 232 46 TYR CB C 38.532 0.3 1 185 232 46 TYR N N 120.318 0.3 1 186 233 47 ASN H H 8.332 0.020 1 187 233 47 ASN C C 175.190 0.3 1 188 233 47 ASN CA C 53.036 0.3 1 189 233 47 ASN CB C 38.779 0.3 1 190 233 47 ASN N N 121.002 0.3 1 191 234 48 GLY H H 7.593 0.020 1 192 234 48 GLY C C 173.718 0.3 1 193 234 48 GLY CA C 45.278 0.3 1 194 234 48 GLY N N 107.881 0.3 1 195 235 49 TYR H H 8.009 0.020 1 196 235 49 TYR C C 176.426 0.3 1 197 235 49 TYR CA C 58.120 0.3 1 198 235 49 TYR CB C 38.624 0.3 1 199 235 49 TYR N N 119.802 0.3 1 200 236 50 GLY H H 8.332 0.020 1 201 236 50 GLY C C 174.321 0.3 1 202 236 50 GLY CA C 45.348 0.3 1 203 236 50 GLY N N 110.984 0.3 1 204 237 51 GLY H H 7.839 0.020 1 205 237 51 GLY C C 174.122 0.3 1 206 237 51 GLY CA C 45.155 0.3 1 207 237 51 GLY N N 107.979 0.3 1 208 238 52 GLY H H 8.060 0.020 1 209 238 52 GLY C C 177.958 0.3 1 210 238 52 GLY CA C 44.414 0.3 1 211 238 52 GLY N N 108.396 0.3 1 212 240 54 GLY H H 8.502 0.020 1 213 240 54 GLY C C 174.700 0.3 1 214 240 54 GLY CA C 45.291 0.3 1 215 240 54 GLY N N 109.391 0.3 1 216 241 55 GLY H H 8.143 0.020 1 217 241 55 GLY C C 174.591 0.3 1 218 241 55 GLY CA C 45.225 0.3 1 219 241 55 GLY N N 108.411 0.3 1 220 242 56 GLY H H 8.149 0.020 1 221 242 56 GLY C C 173.644 0.3 1 222 242 56 GLY CA C 45.175 0.3 1 223 242 56 GLY N N 108.161 0.3 1 224 243 57 ASN H H 8.186 0.020 1 225 243 57 ASN C C 174.929 0.3 1 226 243 57 ASN CA C 52.969 0.3 1 227 243 57 ASN CB C 38.714 0.3 1 228 243 57 ASN N N 118.332 0.3 1 229 244 58 PHE H H 8.241 0.020 1 230 244 58 PHE C C 176.235 0.3 1 231 244 58 PHE CA C 57.812 0.3 1 232 244 58 PHE CB C 39.253 0.3 1 233 244 58 PHE N N 120.663 0.3 1 234 245 59 GLY H H 8.293 0.020 1 235 245 59 GLY C C 174.403 0.3 1 236 245 59 GLY CA C 45.344 0.3 1 237 245 59 GLY N N 110.348 0.3 1 238 246 60 GLY H H 7.888 0.020 1 239 246 60 GLY C C 173.674 0.3 1 240 246 60 GLY CA C 44.897 0.3 1 241 246 60 GLY N N 108.068 0.3 1 242 247 61 SER H H 8.117 0.020 1 243 247 61 SER C C 172.778 0.3 1 244 247 61 SER CA C 56.332 0.3 1 245 247 61 SER CB C 63.401 0.3 1 246 247 61 SER N N 116.449 0.3 1 247 249 63 GLY H H 8.271 0.020 1 248 249 63 GLY C C 173.840 0.3 1 249 249 63 GLY CA C 45.017 0.3 1 250 249 63 GLY N N 108.579 0.3 1 251 250 64 TYR H H 8.009 0.020 1 252 250 64 TYR C C 176.510 0.3 1 253 250 64 TYR CA C 58.118 0.3 1 254 250 64 TYR CB C 38.766 0.3 1 255 250 64 TYR N N 120.065 0.3 1 256 251 65 GLY H H 8.361 0.020 1 257 251 65 GLY C C 174.644 0.3 1 258 251 65 GLY CA C 45.343 0.3 1 259 251 65 GLY N N 111.234 0.3 1 260 252 66 GLY H H 7.885 0.020 1 261 252 66 GLY C C 174.610 0.3 1 262 252 66 GLY CA C 45.247 0.3 1 263 252 66 GLY N N 108.100 0.3 1 264 253 67 GLY H H 8.216 0.020 1 265 253 67 GLY C C 174.264 0.3 1 266 253 67 GLY CA C 45.181 0.3 1 267 253 67 GLY N N 108.322 0.3 1 268 254 68 ARG H H 8.207 0.020 1 269 254 68 ARG C C 176.811 0.3 1 270 254 68 ARG CA C 56.169 0.3 1 271 254 68 ARG CB C 30.578 0.3 1 272 254 68 ARG N N 120.232 0.3 1 273 255 69 GLY H H 8.398 0.020 1 274 255 69 GLY C C 174.335 0.3 1 275 255 69 GLY CA C 45.214 0.3 1 276 255 69 GLY N N 109.540 0.3 1 277 256 70 GLY H H 8.094 0.020 1 278 256 70 GLY C C 173.873 0.3 1 279 256 70 GLY CA C 45.011 0.3 1 280 256 70 GLY N N 108.214 0.3 1 281 257 71 TYR H H 8.099 0.020 1 282 257 71 TYR C C 176.466 0.3 1 283 257 71 TYR CA C 58.102 0.3 1 284 257 71 TYR CB C 38.740 0.3 1 285 257 71 TYR N N 119.985 0.3 1 286 258 72 GLY H H 8.365 0.020 1 287 258 72 GLY C C 174.516 0.3 1 288 258 72 GLY CA C 45.308 0.3 1 289 258 72 GLY N N 111.104 0.3 1 290 259 73 GLY H H 7.829 0.020 1 291 259 73 GLY C C 174.334 0.3 1 292 259 73 GLY CA C 45.180 0.3 1 293 259 73 GLY N N 108.148 0.3 1 294 260 74 GLY H H 8.121 0.020 1 295 260 74 GLY C C 174.031 0.3 1 296 260 74 GLY CA C 45.053 0.3 1 297 260 74 GLY N N 108.194 0.3 1 298 261 75 GLY H H 8.072 0.020 1 299 261 75 GLY C C 177.751 0.3 1 300 261 75 GLY CA C 44.364 0.3 1 301 261 75 GLY N N 108.657 0.3 1 302 263 77 GLY H H 8.364 0.020 1 303 263 77 GLY C C 173.814 0.3 1 304 263 77 GLY CA C 45.079 0.3 1 305 263 77 GLY N N 109.076 0.3 1 306 264 78 TYR H H 7.961 0.020 1 307 264 78 TYR C C 176.338 0.3 1 308 264 78 TYR CA C 58.081 0.3 1 309 264 78 TYR CB C 38.682 0.3 1 310 264 78 TYR N N 119.735 0.3 1 311 265 79 GLY H H 8.296 0.020 1 312 265 79 GLY C C 173.895 0.3 1 313 265 79 GLY CA C 45.302 0.3 1 314 265 79 GLY N N 110.139 0.3 1 315 266 80 ASN H H 8.223 0.020 1 316 266 80 ASN C C 175.411 0.3 1 317 266 80 ASN CA C 53.207 0.3 1 318 266 80 ASN CB C 38.709 0.3 1 319 266 80 ASN N N 118.496 0.3 1 320 267 81 GLN H H 8.426 0.020 1 321 267 81 GLN C C 176.415 0.3 1 322 267 81 GLN CA C 56.147 0.3 1 323 267 81 GLN CB C 29.107 0.3 1 324 267 81 GLN N N 120.333 0.3 1 325 268 82 GLY H H 8.372 0.020 1 326 268 82 GLY C C 174.561 0.3 1 327 268 82 GLY CA C 45.338 0.3 1 328 268 82 GLY N N 109.459 0.3 1 329 269 83 GLY H H 8.181 0.020 1 330 269 83 GLY C C 174.460 0.3 1 331 269 83 GLY CA C 45.202 0.3 1 332 269 83 GLY N N 108.394 0.3 1 333 270 84 GLY H H 8.158 0.020 1 334 270 84 GLY C C 173.848 0.3 1 335 270 84 GLY CA C 45.112 0.3 1 336 270 84 GLY N N 108.304 0.3 1 337 271 85 TYR H H 8.100 0.020 1 338 271 85 TYR C C 176.463 0.3 1 339 271 85 TYR CA C 58.102 0.3 1 340 271 85 TYR CB C 38.615 0.3 1 341 271 85 TYR N N 119.969 0.3 1 342 272 86 GLY H H 8.379 0.020 1 343 272 86 GLY C C 174.469 0.3 1 344 272 86 GLY CA C 45.335 0.3 1 345 272 86 GLY N N 111.036 0.3 1 346 273 87 GLY H H 7.862 0.020 1 347 273 87 GLY C C 174.338 0.3 1 348 273 87 GLY CA C 45.250 0.3 1 349 273 87 GLY N N 108.041 0.3 1 350 274 88 GLY H H 8.158 0.020 1 351 274 88 GLY C C 173.861 0.3 1 352 274 88 GLY CA C 45.138 0.3 1 353 274 88 GLY N N 108.239 0.3 1 354 275 89 TYR H H 8.003 0.020 1 355 275 89 TYR C C 175.485 0.3 1 356 275 89 TYR CA C 57.877 0.3 1 357 275 89 TYR CB C 38.740 0.3 1 358 275 89 TYR N N 119.543 0.3 1 359 276 90 ASP H H 8.228 0.020 1 360 276 90 ASP C C 175.658 0.3 1 361 276 90 ASP CA C 54.049 0.3 1 362 276 90 ASP CB C 41.075 0.3 1 363 276 90 ASP N N 120.982 0.3 1 364 277 91 ASN H H 8.142 0.020 1 365 277 91 ASN C C 175.023 0.3 1 366 277 91 ASN CA C 53.159 0.3 1 367 277 91 ASN CB C 38.673 0.3 1 368 277 91 ASN N N 118.441 0.3 1 369 278 92 TYR H H 8.210 0.020 1 370 278 92 TYR C C 176.474 0.3 1 371 278 92 TYR CA C 58.319 0.3 1 372 278 92 TYR CB C 38.333 0.3 1 373 278 92 TYR N N 120.329 0.3 1 374 279 93 GLY H H 8.245 0.020 1 375 279 93 GLY C C 174.643 0.3 1 376 279 93 GLY CA C 45.502 0.3 1 377 279 93 GLY N N 110.352 0.3 1 378 280 94 GLY H H 7.942 0.020 1 379 280 94 GLY C C 174.196 0.3 1 380 280 94 GLY CA C 45.199 0.3 1 381 280 94 GLY N N 108.254 0.3 1 382 281 95 GLY H H 8.212 0.020 1 383 281 95 GLY C C 173.606 0.3 1 384 281 95 GLY CA C 45.150 0.3 1 385 281 95 GLY N N 108.319 0.3 1 386 282 96 ASN H H 8.186 0.020 1 387 282 96 ASN C C 174.928 0.3 1 388 282 96 ASN CA C 52.965 0.3 1 389 282 96 ASN CB C 38.730 0.3 1 390 282 96 ASN N N 118.361 0.3 1 391 283 97 TYR H H 8.172 0.020 1 392 283 97 TYR C C 176.318 0.3 1 393 283 97 TYR CA C 58.140 0.3 1 394 283 97 TYR CB C 38.456 0.3 1 395 283 97 TYR N N 120.617 0.3 1 396 284 98 GLY H H 8.209 0.020 1 397 284 98 GLY C C 174.125 0.3 1 398 284 98 GLY CA C 45.344 0.3 1 399 284 98 GLY N N 110.150 0.3 1 400 285 99 SER H H 8.162 0.020 1 401 285 99 SER C C 174.969 0.3 1 402 285 99 SER CA C 58.422 0.3 1 403 285 99 SER CB C 63.898 0.3 1 404 285 99 SER N N 115.436 0.3 1 405 286 100 GLY H H 8.359 0.020 1 406 286 100 GLY C C 173.497 0.3 1 407 286 100 GLY CA C 45.257 0.3 1 408 286 100 GLY N N 110.303 0.3 1 409 287 101 ASN H H 8.155 0.020 1 410 287 101 ASN C C 174.869 0.3 1 411 287 101 ASN CA C 52.867 0.3 1 412 287 101 ASN CB C 38.856 0.3 1 413 287 101 ASN N N 118.361 0.3 1 414 288 102 TYR H H 8.123 0.020 1 415 288 102 TYR C C 175.459 0.3 1 416 288 102 TYR CA C 58.130 0.3 1 417 288 102 TYR CB C 38.449 0.3 1 418 288 102 TYR N N 120.666 0.3 1 419 289 103 ASN H H 8.167 0.020 1 420 289 103 ASN C C 174.471 0.3 1 421 289 103 ASN CA C 53.077 0.3 1 422 289 103 ASN CB C 38.950 0.3 1 423 289 103 ASN N N 119.569 0.3 1 424 290 104 ASP H H 8.022 0.020 1 425 290 104 ASP C C 176.032 0.3 1 426 290 104 ASP CA C 54.203 0.3 1 427 290 104 ASP CB C 40.919 0.3 1 428 290 104 ASP N N 120.234 0.3 1 429 291 105 PHE H H 8.093 0.020 1 430 291 105 PHE C C 176.412 0.3 1 431 291 105 PHE CA C 58.036 0.3 1 432 291 105 PHE CB C 38.948 0.3 1 433 291 105 PHE N N 120.069 0.3 1 434 292 106 GLY H H 8.241 0.020 1 435 292 106 GLY C C 173.730 0.3 1 436 292 106 GLY CA C 45.506 0.3 1 437 292 106 GLY N N 109.054 0.3 1 438 293 107 ASN H H 8.067 0.020 1 439 293 107 ASN C C 175.089 0.3 1 440 293 107 ASN CA C 53.048 0.3 1 441 293 107 ASN CB C 38.620 0.3 1 442 293 107 ASN N N 118.319 0.3 1 443 294 108 TYR H H 8.110 0.020 1 444 294 108 TYR C C 175.624 0.3 1 445 294 108 TYR CA C 58.133 0.3 1 446 294 108 TYR CB C 38.316 0.3 1 447 294 108 TYR N N 120.645 0.3 1 448 295 109 ASN H H 8.255 0.020 1 449 295 109 ASN C C 174.606 0.3 1 450 295 109 ASN CA C 53.231 0.3 1 451 295 109 ASN CB C 38.616 0.3 1 452 295 109 ASN N N 119.674 0.3 1 453 296 110 GLN H H 8.024 0.020 1 454 296 110 GLN C C 175.790 0.3 1 455 296 110 GLN CA C 55.683 0.3 1 456 296 110 GLN CB C 29.356 0.3 1 457 296 110 GLN N N 119.779 0.3 1 458 297 111 GLN H H 8.248 0.020 1 459 297 111 GLN C C 176.213 0.3 1 460 297 111 GLN CA C 53.691 0.3 1 461 297 111 GLN CB C 28.743 0.3 1 462 297 111 GLN N N 120.032 0.3 1 463 298 112 LEU H H 8.046 0.020 1 464 298 112 LEU C C 177.511 0.3 1 465 298 112 LEU CA C 55.368 0.3 1 466 298 112 LEU CB C 42.280 0.3 1 467 298 112 LEU N N 121.910 0.3 1 468 299 113 SER H H 8.105 0.020 1 469 299 113 SER C C 174.264 0.3 1 470 299 113 SER CA C 58.457 0.3 1 471 299 113 SER CB C 63.713 0.3 1 472 299 113 SER N N 115.279 0.3 1 473 300 114 ASN H H 8.206 0.020 1 474 300 114 ASN C C 174.545 0.3 1 475 300 114 ASN CA C 53.065 0.3 1 476 300 114 ASN CB C 38.617 0.3 1 477 300 114 ASN N N 119.821 0.3 1 478 301 115 TYR H H 8.031 0.020 1 479 301 115 TYR C C 175.766 0.3 1 480 301 115 TYR CA C 57.683 0.3 1 481 301 115 TYR CB C 38.898 0.3 1 482 301 115 TYR N N 119.782 0.3 1 483 302 116 GLY H H 8.042 0.020 1 484 302 116 GLY C C 177.734 0.3 1 485 302 116 GLY CA C 44.682 0.3 1 486 302 116 GLY N N 110.015 0.3 1 487 304 118 MET H H 8.349 0.020 1 488 304 118 MET C C 176.293 0.3 1 489 304 118 MET CA C 55.667 0.3 1 490 304 118 MET CB C 32.646 0.3 1 491 304 118 MET N N 119.700 0.3 1 492 305 119 LYS H H 8.234 0.020 1 493 305 119 LYS C C 176.375 0.3 1 494 305 119 LYS CA C 56.280 0.3 1 495 305 119 LYS CB C 32.876 0.3 1 496 305 119 LYS N N 122.266 0.3 1 497 306 120 SER H H 8.220 0.020 1 498 306 120 SER C C 174.767 0.3 1 499 306 120 SER CA C 58.295 0.3 1 500 306 120 SER CB C 63.877 0.3 1 501 306 120 SER N N 116.197 0.3 1 502 307 121 GLY H H 8.295 0.020 1 503 307 121 GLY C C 173.515 0.3 1 504 307 121 GLY CA C 45.334 0.3 1 505 307 121 GLY N N 110.210 0.3 1 506 308 122 ASN H H 8.180 0.020 1 507 308 122 ASN C C 175.032 0.3 1 508 308 122 ASN CA C 53.051 0.3 1 509 308 122 ASN CB C 38.687 0.3 1 510 308 122 ASN N N 118.408 0.3 1 511 309 123 PHE H H 8.240 0.020 1 512 309 123 PHE C C 176.252 0.3 1 513 309 123 PHE CA C 57.810 0.3 1 514 309 123 PHE CB C 39.266 0.3 1 515 309 123 PHE N N 120.776 0.3 1 516 310 124 GLY H H 8.344 0.020 1 517 310 124 GLY C C 174.557 0.3 1 518 310 124 GLY CA C 45.426 0.3 1 519 310 124 GLY N N 110.476 0.3 1 520 311 125 GLY H H 7.951 0.020 1 521 311 125 GLY C C 174.197 0.3 1 522 311 125 GLY CA C 45.244 0.3 1 523 311 125 GLY N N 108.389 0.3 1 524 312 126 SER H H 8.204 0.020 1 525 312 126 SER C C 174.648 0.3 1 526 312 126 SER CA C 58.414 0.3 1 527 312 126 SER CB C 63.829 0.3 1 528 312 126 SER N N 115.520 0.3 1 529 313 127 ARG H H 8.353 0.020 1 530 313 127 ARG C C 175.813 0.3 1 531 313 127 ARG CA C 56.151 0.3 1 532 313 127 ARG CB C 30.586 0.3 1 533 313 127 ARG N N 122.276 0.3 1 534 314 128 ASN H H 8.369 0.020 1 535 314 128 ASN C C 175.134 0.3 1 536 314 128 ASN CA C 53.284 0.3 1 537 314 128 ASN CB C 38.612 0.3 1 538 314 128 ASN N N 119.269 0.3 1 539 315 129 MET H H 8.335 0.020 1 540 315 129 MET C C 176.495 0.3 1 541 315 129 MET CA C 55.487 0.3 1 542 315 129 MET CB C 32.573 0.3 1 543 315 129 MET N N 120.942 0.3 1 544 316 130 GLY H H 8.336 0.020 1 545 316 130 GLY C C 174.121 0.3 1 546 316 130 GLY CA C 45.118 0.3 1 547 316 130 GLY N N 109.256 0.3 1 548 317 131 GLY H H 8.046 0.020 1 549 317 131 GLY C C 178.203 0.3 1 550 317 131 GLY CA C 44.575 0.3 1 551 317 131 GLY N N 108.478 0.3 1 552 319 133 TYR H H 8.234 0.020 1 553 319 133 TYR C C 176.486 0.3 1 554 319 133 TYR CA C 57.644 0.3 1 555 319 133 TYR CB C 38.217 0.3 1 556 319 133 TYR N N 119.664 0.3 1 557 320 134 GLY H H 8.100 0.020 1 558 320 134 GLY C C 174.579 0.3 1 559 320 134 GLY CA C 45.355 0.3 1 560 320 134 GLY N N 110.520 0.3 1 561 321 135 GLY H H 7.929 0.020 1 562 321 135 GLY C C 174.482 0.3 1 563 321 135 GLY CA C 45.282 0.3 1 564 321 135 GLY N N 108.103 0.3 1 565 322 136 GLY H H 8.164 0.020 1 566 322 136 GLY C C 173.593 0.3 1 567 322 136 GLY CA C 45.150 0.3 1 568 322 136 GLY N N 108.144 0.3 1 569 323 137 ASN H H 8.190 0.020 1 570 323 137 ASN CA C 52.973 0.3 1 571 323 137 ASN CB C 38.699 0.3 1 572 323 137 ASN N N 118.366 0.3 1 573 324 138 TYR H H 8.133 0.020 1 574 324 138 TYR C C 175.826 0.3 1 575 324 138 TYR CA C 57.627 0.3 1 576 324 138 TYR CB C 38.699 0.3 1 577 324 138 TYR N N 120.242 0.3 1 578 325 139 GLY H H 8.096 0.020 1 579 325 139 GLY C C 177.849 0.3 1 580 325 139 GLY CA C 44.510 0.3 1 581 325 139 GLY N N 109.798 0.3 1 582 327 141 GLY H H 8.538 0.020 1 583 327 141 GLY C C 174.769 0.3 1 584 327 141 GLY CA C 45.324 0.3 1 585 327 141 GLY N N 109.458 0.3 1 586 328 142 GLY H H 8.167 0.020 1 587 328 142 GLY C C 174.372 0.3 1 588 328 142 GLY CA C 45.220 0.3 1 589 328 142 GLY N N 108.518 0.3 1 590 329 143 SER H H 8.263 0.020 1 591 329 143 SER C C 175.157 0.3 1 592 329 143 SER CA C 58.465 0.3 1 593 329 143 SER CB C 63.824 0.3 1 594 329 143 SER N N 115.503 0.3 1 595 330 144 GLY H H 8.458 0.020 1 596 330 144 GLY C C 174.503 0.3 1 597 330 144 GLY CA C 45.358 0.3 1 598 330 144 GLY N N 110.639 0.3 1 599 331 145 GLY H H 8.183 0.020 1 600 331 145 GLY C C 174.385 0.3 1 601 331 145 GLY CA C 45.223 0.3 1 602 331 145 GLY N N 108.597 0.3 1 603 332 146 SER H H 8.303 0.020 1 604 332 146 SER C C 175.190 0.3 1 605 332 146 SER CA C 58.461 0.3 1 606 332 146 SER CB C 63.808 0.3 1 607 332 146 SER N N 115.592 0.3 1 608 333 147 GLY H H 8.448 0.020 1 609 333 147 GLY C C 174.518 0.3 1 610 333 147 GLY CA C 45.377 0.3 1 611 333 147 GLY N N 110.597 0.3 1 612 334 148 GLY H H 8.116 0.020 1 613 334 148 GLY C C 174.015 0.3 1 614 334 148 GLY CA C 45.029 0.3 1 615 334 148 GLY N N 108.262 0.3 1 616 335 149 TYR H H 8.139 0.020 1 617 335 149 TYR C C 176.611 0.3 1 618 335 149 TYR CA C 58.217 0.3 1 619 335 149 TYR CB C 38.617 0.3 1 620 335 149 TYR N N 120.149 0.3 1 621 336 150 GLY H H 8.417 0.020 1 622 336 150 GLY C C 174.613 0.3 1 623 336 150 GLY CA C 45.464 0.3 1 624 336 150 GLY N N 111.020 0.3 1 625 337 151 GLY H H 7.908 0.020 1 626 337 151 GLY C C 173.984 0.3 1 627 337 151 GLY CA C 45.226 0.3 1 628 337 151 GLY N N 108.202 0.3 1 629 338 152 ARG H H 8.071 0.020 1 630 338 152 ARG C C 176.242 0.3 1 631 338 152 ARG CA C 55.837 0.3 1 632 338 152 ARG CB C 30.908 0.3 1 633 338 152 ARG N N 120.083 0.3 1 634 339 153 SER H H 8.343 0.020 1 635 339 153 SER C C 174.136 0.3 1 636 339 153 SER CA C 58.383 0.3 1 637 339 153 SER CB C 63.741 0.3 1 638 339 153 SER N N 116.987 0.3 1 639 340 154 ARG H H 8.202 0.020 1 640 340 154 ARG C C 174.734 0.3 1 641 340 154 ARG CA C 56.168 0.3 1 642 340 154 ARG CB C 30.849 0.3 1 643 340 154 ARG N N 122.738 0.3 1 644 341 155 TYR H H 7.683 0.020 1 645 341 155 TYR C C 174.279 0.3 1 646 341 155 TYR CA C 58.995 0.3 1 647 341 155 TYR CB C 39.471 0.3 1 648 341 155 TYR N N 125.09 0.3 1 stop_ save_