data_27124 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; hnRNPA2 D290V low complexity domain 190-341 backbone and Cbeta chemical shifts ; _BMRB_accession_number 27124 _BMRB_flat_file_name bmr27124.str _Entry_type original _Submission_date 2017-06-05 _Accession_date 2017-06-05 _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 Silva Rute . . 4 Burke Kathleen . . 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" 359 "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_ loop_ _Related_BMRB_accession_number _Relationship 27123 'hnRNPA2 WT low complexity domain' stop_ _Original_release_date 2017-06-05 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 D290V disordered monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hnRNPA2 LC D290V' $hnRNPA2_LC_D290V 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_D290V _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hnRNPA2_LC_D290V _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; GHMGRGGNFGFGDSRGGGGN FGPGPGSNFRGGSDGYGSGR GFGDGYNGYGGGPGGGNFGG SPGYGGGRGGYGGGGPGYGN QGGGYGGGYDNYGGGNYGSG NYNVFGNYNQQPSNYGPMKS GNFGGSRNMGGPYGGGNYGP GGSGGSGGYGGRSRY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 187 GLY 2 188 HIS 3 189 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 VAL 105 291 PHE 106 292 GLY 107 293 ASN 108 294 TYR 109 295 ASN 110 296 GLN 111 297 GLN 112 298 PRO 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_D290V 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_D290V 'recombinant technology' . Escherichia coli . hnRNPA2_LC_D290V_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_D290V 100 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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HN(CAN)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CAN)NH' _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 HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCACO' '3D HN(CAN)NH' 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 D290V' _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 1 187 1 GLY H H 7.826 0.020 1 2 187 1 GLY C C 173.748 0.3 1 3 187 1 GLY CA C 45.340 0.3 1 4 187 1 GLY N N 108.499 0.3 1 5 190 4 GLY H H 8.420 0.020 1 6 190 4 GLY C C 173.900 0.3 1 7 190 4 GLY CA C 45.082 0.3 1 8 190 4 GLY N N 110.355 0.3 1 9 191 5 ARG H H 8.288 0.020 1 10 191 5 ARG C C 176.837 0.3 1 11 191 5 ARG CA C 56.153 0.3 1 12 191 5 ARG CB C 30.772 0.3 1 13 191 5 ARG N N 120.563 0.3 1 14 192 6 GLY H H 8.481 0.020 1 15 192 6 GLY C C 174.365 0.3 1 16 192 6 GLY CA C 45.130 0.3 1 17 192 6 GLY N N 110.004 0.3 1 18 193 7 GLY H H 8.173 0.020 1 19 193 7 GLY C C 173.662 0.3 1 20 193 7 GLY CA C 45.155 0.3 1 21 193 7 GLY N N 108.263 0.3 1 22 194 8 ASN H H 8.240 0.020 1 23 194 8 ASN C C 174.837 0.3 1 24 194 8 ASN CA C 53.006 0.3 1 25 194 8 ASN CB C 38.660 0.3 1 26 194 8 ASN N N 118.482 0.3 1 27 195 9 PHE H H 8.183 0.020 1 28 195 9 PHE C C 175.954 0.3 1 29 195 9 PHE CA C 57.803 0.3 1 30 195 9 PHE CB C 39.331 0.3 1 31 195 9 PHE N N 120.216 0.3 1 32 196 10 GLY H H 8.219 0.020 1 33 196 10 GLY C C 173.749 0.3 1 34 196 10 GLY CA C 45.048 0.3 1 35 196 10 GLY N N 109.824 0.3 1 36 197 11 PHE H H 8.081 0.020 1 37 197 11 PHE C C 176.357 0.3 1 38 197 11 PHE CA C 57.882 0.3 1 39 197 11 PHE CB C 39.471 0.3 1 40 197 11 PHE N N 119.716 0.3 1 41 198 12 GLY H H 8.374 0.020 1 42 198 12 GLY C C 173.696 0.3 1 43 198 12 GLY CA C 45.341 0.3 1 44 198 12 GLY N N 110.339 0.3 1 45 199 13 ASP H H 8.143 0.020 1 46 199 13 ASP C C 176.632 0.3 1 47 199 13 ASP CA C 54.033 0.3 1 48 199 13 ASP CB C 41.404 0.3 1 49 199 13 ASP N N 120.531 0.3 1 50 200 14 SER H H 8.371 0.020 1 51 200 14 SER C C 174.969 0.3 1 52 200 14 SER CA C 58.797 0.3 1 53 200 14 SER CB C 63.538 0.3 1 54 200 14 SER N N 116.875 0.3 1 55 201 15 ARG H H 8.383 0.020 1 56 201 15 ARG C C 176.982 0.3 1 57 201 15 ARG CA C 56.484 0.3 1 58 201 15 ARG CB C 30.285 0.3 1 59 201 15 ARG N N 122.305 0.3 1 60 202 16 GLY H H 8.277 0.020 1 61 202 16 GLY C C 174.632 0.3 1 62 202 16 GLY CA C 45.309 0.3 1 63 202 16 GLY N N 108.902 0.3 1 64 203 17 GLY H H 8.238 0.020 1 65 203 17 GLY C C 174.729 0.3 1 66 203 17 GLY CA C 45.275 0.3 1 67 203 17 GLY N N 108.645 0.3 1 68 204 18 GLY H H 8.309 0.020 1 69 204 18 GLY C C 174.545 0.3 1 70 204 18 GLY CA C 45.202 0.3 1 71 204 18 GLY N N 108.609 0.3 1 72 205 19 GLY H H 8.210 0.020 1 73 205 19 GLY C C 173.598 0.3 1 74 205 19 GLY CA C 45.168 0.3 1 75 205 19 GLY N N 108.337 0.3 1 76 206 20 ASN H H 8.182 0.020 1 77 206 20 ASN C C 174.660 0.3 1 78 206 20 ASN CA C 52.977 0.3 1 79 206 20 ASN CB C 38.668 0.3 1 80 206 20 ASN N N 118.396 0.3 1 81 207 21 PHE H H 8.201 0.020 1 82 207 21 PHE C C 175.739 0.3 1 83 207 21 PHE CA C 57.483 0.3 1 84 207 21 PHE CB C 39.606 0.3 1 85 207 21 PHE N N 120.298 0.3 1 86 208 22 GLY H H 8.112 0.020 1 87 208 22 GLY C C 177.576 0.3 1 88 208 22 GLY CA C 44.494 0.3 1 89 208 22 GLY N N 109.919 0.3 1 90 210 24 GLY H H 8.248 0.020 1 91 210 24 GLY C C 177.941 0.3 1 92 210 24 GLY CA C 44.479 0.3 1 93 210 24 GLY N N 109.028 0.3 1 94 212 26 GLY H H 8.498 0.020 1 95 212 26 GLY C C 174.352 0.3 1 96 212 26 GLY CA C 45.263 0.3 1 97 212 26 GLY N N 109.341 0.3 1 98 213 27 SER H H 8.084 0.020 1 99 213 27 SER C C 174.332 0.3 1 100 213 27 SER CA C 58.467 0.3 1 101 213 27 SER CB C 63.784 0.3 1 102 213 27 SER N N 115.133 0.3 1 103 214 28 ASN H H 8.407 0.020 1 104 214 28 ASN C C 174.757 0.3 1 105 214 28 ASN CA C 53.150 0.3 1 106 214 28 ASN CB C 38.496 0.3 1 107 214 28 ASN N N 120.082 0.3 1 108 215 29 PHE H H 8.101 0.020 1 109 215 29 PHE C C 175.623 0.3 1 110 215 29 PHE CA C 58.109 0.3 1 111 215 29 PHE CB C 39.284 0.3 1 112 215 29 PHE N N 120.469 0.3 1 113 216 30 ARG H H 8.211 0.020 1 114 216 30 ARG C C 176.210 0.3 1 115 216 30 ARG CA C 55.848 0.3 1 116 216 30 ARG CB C 30.588 0.3 1 117 216 30 ARG N N 123.222 0.3 1 118 217 31 GLY H H 7.803 0.020 1 119 217 31 GLY C C 174.328 0.3 1 120 217 31 GLY CA C 45.272 0.3 1 121 217 31 GLY N N 109.072 0.3 1 122 218 32 GLY H H 8.215 0.020 1 123 218 32 GLY C C 174.405 0.3 1 124 218 32 GLY CA C 45.223 0.3 1 125 218 32 GLY N N 108.592 0.3 1 126 219 33 SER H H 8.304 0.020 1 127 219 33 SER C C 174.394 0.3 1 128 219 33 SER CA C 58.461 0.3 1 129 219 33 SER CB C 63.813 0.3 1 130 219 33 SER N N 115.570 0.3 1 131 220 34 ASP H H 8.350 0.020 1 132 220 34 ASP C C 176.543 0.3 1 133 220 34 ASP CA C 54.355 0.3 1 134 220 34 ASP CB C 41.095 0.3 1 135 220 34 ASP N N 121.543 0.3 1 136 221 35 GLY H H 8.151 0.020 1 137 221 35 GLY C C 174.154 0.3 1 138 221 35 GLY CA C 45.180 0.3 1 139 221 35 GLY N N 108.299 0.3 1 140 222 36 TYR H H 8.133 0.020 1 141 222 36 TYR C C 176.587 0.3 1 142 222 36 TYR CA C 58.297 0.3 1 143 222 36 TYR CB C 38.636 0.3 1 144 222 36 TYR N N 120.211 0.3 1 145 223 37 GLY H H 8.306 0.020 1 146 223 37 GLY C C 174.219 0.3 1 147 223 37 GLY CA C 45.302 0.3 1 148 223 37 GLY N N 110.438 0.3 1 149 224 38 SER H H 8.196 0.020 1 150 224 38 SER C C 175.092 0.3 1 151 224 38 SER CA C 58.467 0.3 1 152 224 38 SER CB C 63.847 0.3 1 153 224 38 SER N N 115.585 0.3 1 154 225 39 GLY H H 8.438 0.020 1 155 225 39 GLY C C 174.092 0.3 1 156 225 39 GLY CA C 45.306 0.3 1 157 225 39 GLY N N 110.567 0.3 1 158 226 40 ARG H H 8.107 0.020 1 159 226 40 ARG C C 176.469 0.3 1 160 226 40 ARG CA C 56.012 0.3 1 161 226 40 ARG CB C 30.668 0.3 1 162 226 40 ARG N N 120.013 0.3 1 163 227 41 GLY H H 8.318 0.020 1 164 227 41 GLY C C 173.659 0.3 1 165 227 41 GLY CA C 44.966 0.3 1 166 227 41 GLY N N 109.388 0.3 1 167 228 42 PHE H H 8.074 0.020 1 168 228 42 PHE C C 176.236 0.3 1 169 228 42 PHE CA C 57.808 0.3 1 170 228 42 PHE CB C 39.525 0.3 1 171 228 42 PHE N N 119.545 0.3 1 172 229 43 GLY H H 8.346 0.020 1 173 229 43 GLY C C 173.844 0.3 1 174 229 43 GLY CA C 45.207 0.3 1 175 229 43 GLY N N 110.164 0.3 1 176 230 44 ASP H H 8.185 0.020 1 177 230 44 ASP C C 176.726 0.3 1 178 230 44 ASP CA C 54.500 0.3 1 179 230 44 ASP CB C 41.172 0.3 1 180 230 44 ASP N N 120.281 0.3 1 181 231 45 GLY H H 8.337 0.020 1 182 231 45 GLY C C 174.070 0.3 1 183 231 45 GLY CA C 45.334 0.3 1 184 231 45 GLY N N 108.792 0.3 1 185 232 46 TYR H H 8.084 0.020 1 186 232 46 TYR C C 175.718 0.3 1 187 232 46 TYR CA C 58.298 0.3 1 188 232 46 TYR CB C 38.532 0.3 1 189 232 46 TYR N N 120.318 0.3 1 190 233 47 ASN H H 8.332 0.020 1 191 233 47 ASN C C 175.190 0.3 1 192 233 47 ASN CA C 53.036 0.3 1 193 233 47 ASN CB C 38.779 0.3 1 194 233 47 ASN N N 121.002 0.3 1 195 234 48 GLY H H 7.600 0.020 1 196 234 48 GLY C C 173.718 0.3 1 197 234 48 GLY CA C 45.278 0.3 1 198 234 48 GLY N N 107.881 0.3 1 199 235 49 TYR H H 8.009 0.020 1 200 235 49 TYR C C 176.426 0.3 1 201 235 49 TYR CA C 58.120 0.3 1 202 235 49 TYR CB C 38.624 0.3 1 203 235 49 TYR N N 119.802 0.3 1 204 236 50 GLY H H 8.332 0.020 1 205 236 50 GLY C C 174.321 0.3 1 206 236 50 GLY CA C 45.348 0.3 1 207 236 50 GLY N N 110.984 0.3 1 208 237 51 GLY H H 7.839 0.020 1 209 237 51 GLY C C 174.122 0.3 1 210 237 51 GLY CA C 45.155 0.3 1 211 237 51 GLY N N 107.979 0.3 1 212 238 52 GLY H H 8.060 0.020 1 213 238 52 GLY C C 177.958 0.3 1 214 238 52 GLY CA C 44.414 0.3 1 215 238 52 GLY N N 108.396 0.3 1 216 240 54 GLY H H 8.502 0.020 1 217 240 54 GLY C C 174.700 0.3 1 218 240 54 GLY CA C 45.291 0.3 1 219 240 54 GLY N N 109.391 0.3 1 220 241 55 GLY H H 8.143 0.020 1 221 241 55 GLY C C 174.591 0.3 1 222 241 55 GLY CA C 45.225 0.3 1 223 241 55 GLY N N 108.411 0.3 1 224 242 56 GLY H H 8.149 0.020 1 225 242 56 GLY C C 173.644 0.3 1 226 242 56 GLY CA C 45.175 0.3 1 227 242 56 GLY N N 108.161 0.3 1 228 243 57 ASN H H 8.186 0.020 1 229 243 57 ASN C C 174.929 0.3 1 230 243 57 ASN CA C 52.969 0.3 1 231 243 57 ASN CB C 38.714 0.3 1 232 243 57 ASN N N 118.332 0.3 1 233 244 58 PHE H H 8.241 0.020 1 234 244 58 PHE C C 176.235 0.3 1 235 244 58 PHE CA C 57.812 0.3 1 236 244 58 PHE CB C 39.253 0.3 1 237 244 58 PHE N N 120.663 0.3 1 238 245 59 GLY H H 8.293 0.020 1 239 245 59 GLY C C 174.403 0.3 1 240 245 59 GLY CA C 45.344 0.3 1 241 245 59 GLY N N 110.348 0.3 1 242 246 60 GLY H H 7.888 0.020 1 243 246 60 GLY C C 173.674 0.3 1 244 246 60 GLY CA C 44.897 0.3 1 245 246 60 GLY N N 108.068 0.3 1 246 247 61 SER H H 8.117 0.020 1 247 247 61 SER C C 172.778 0.3 1 248 247 61 SER CA C 56.332 0.3 1 249 247 61 SER CB C 63.401 0.3 1 250 247 61 SER N N 116.449 0.3 1 251 249 63 GLY H H 8.271 0.020 1 252 249 63 GLY C C 173.840 0.3 1 253 249 63 GLY CA C 45.017 0.3 1 254 249 63 GLY N N 108.579 0.3 1 255 250 64 TYR H H 8.009 0.020 1 256 250 64 TYR C C 176.510 0.3 1 257 250 64 TYR CA C 58.118 0.3 1 258 250 64 TYR CB C 38.766 0.3 1 259 250 64 TYR N N 120.065 0.3 1 260 251 65 GLY H H 8.361 0.020 1 261 251 65 GLY C C 174.644 0.3 1 262 251 65 GLY CA C 45.343 0.3 1 263 251 65 GLY N N 111.234 0.3 1 264 252 66 GLY H H 7.885 0.020 1 265 252 66 GLY C C 174.610 0.3 1 266 252 66 GLY CA C 45.247 0.3 1 267 252 66 GLY N N 108.100 0.3 1 268 253 67 GLY H H 8.216 0.020 1 269 253 67 GLY C C 174.264 0.3 1 270 253 67 GLY CA C 45.181 0.3 1 271 253 67 GLY N N 108.322 0.3 1 272 254 68 ARG H H 8.207 0.020 1 273 254 68 ARG C C 176.811 0.3 1 274 254 68 ARG CA C 56.169 0.3 1 275 254 68 ARG CB C 30.578 0.3 1 276 254 68 ARG N N 120.232 0.3 1 277 255 69 GLY H H 8.398 0.020 1 278 255 69 GLY C C 174.335 0.3 1 279 255 69 GLY CA C 45.214 0.3 1 280 255 69 GLY N N 109.540 0.3 1 281 256 70 GLY H H 8.094 0.020 1 282 256 70 GLY C C 173.873 0.3 1 283 256 70 GLY CA C 45.011 0.3 1 284 256 70 GLY N N 108.214 0.3 1 285 257 71 TYR H H 8.099 0.020 1 286 257 71 TYR C C 176.466 0.3 1 287 257 71 TYR CA C 58.102 0.3 1 288 257 71 TYR CB C 38.740 0.3 1 289 257 71 TYR N N 119.985 0.3 1 290 258 72 GLY H H 8.365 0.020 1 291 258 72 GLY C C 174.516 0.3 1 292 258 72 GLY CA C 45.308 0.3 1 293 258 72 GLY N N 111.104 0.3 1 294 259 73 GLY H H 7.829 0.020 1 295 259 73 GLY C C 174.334 0.3 1 296 259 73 GLY CA C 45.180 0.3 1 297 259 73 GLY N N 108.148 0.3 1 298 260 74 GLY H H 8.121 0.020 1 299 260 74 GLY C C 174.031 0.3 1 300 260 74 GLY CA C 45.053 0.3 1 301 260 74 GLY N N 108.194 0.3 1 302 261 75 GLY H H 8.072 0.020 1 303 261 75 GLY C C 177.751 0.3 1 304 261 75 GLY CA C 44.364 0.3 1 305 261 75 GLY N N 108.657 0.3 1 306 263 77 GLY H H 8.364 0.020 1 307 263 77 GLY C C 173.814 0.3 1 308 263 77 GLY CA C 45.079 0.3 1 309 263 77 GLY N N 109.076 0.3 1 310 264 78 TYR H H 7.961 0.020 1 311 264 78 TYR C C 176.338 0.3 1 312 264 78 TYR CA C 58.081 0.3 1 313 264 78 TYR CB C 38.682 0.3 1 314 264 78 TYR N N 119.735 0.3 1 315 265 79 GLY H H 8.296 0.020 1 316 265 79 GLY C C 173.895 0.3 1 317 265 79 GLY CA C 45.302 0.3 1 318 265 79 GLY N N 110.139 0.3 1 319 266 80 ASN H H 8.223 0.020 1 320 266 80 ASN C C 175.411 0.3 1 321 266 80 ASN CA C 53.207 0.3 1 322 266 80 ASN CB C 38.709 0.3 1 323 266 80 ASN N N 118.496 0.3 1 324 267 81 GLN H H 8.426 0.020 1 325 267 81 GLN C C 176.415 0.3 1 326 267 81 GLN CA C 56.147 0.3 1 327 267 81 GLN CB C 29.107 0.3 1 328 267 81 GLN N N 120.333 0.3 1 329 268 82 GLY H H 8.372 0.020 1 330 268 82 GLY C C 174.561 0.3 1 331 268 82 GLY CA C 45.338 0.3 1 332 268 82 GLY N N 109.459 0.3 1 333 269 83 GLY H H 8.181 0.020 1 334 269 83 GLY C C 174.460 0.3 1 335 269 83 GLY CA C 45.202 0.3 1 336 269 83 GLY N N 108.394 0.3 1 337 270 84 GLY H H 8.158 0.020 1 338 270 84 GLY C C 173.848 0.3 1 339 270 84 GLY CA C 45.112 0.3 1 340 270 84 GLY N N 108.304 0.3 1 341 271 85 TYR H H 8.100 0.020 1 342 271 85 TYR C C 176.463 0.3 1 343 271 85 TYR CA C 58.102 0.3 1 344 271 85 TYR CB C 38.615 0.3 1 345 271 85 TYR N N 119.969 0.3 1 346 272 86 GLY H H 8.379 0.020 1 347 272 86 GLY C C 174.469 0.3 1 348 272 86 GLY CA C 45.335 0.3 1 349 272 86 GLY N N 111.036 0.3 1 350 273 87 GLY H H 7.864 0.020 1 351 273 87 GLY C C 174.338 0.3 1 352 273 87 GLY CA C 45.250 0.3 1 353 273 87 GLY N N 108.028 0.3 1 354 274 88 GLY H H 8.158 0.020 1 355 274 88 GLY C C 173.861 0.3 1 356 274 88 GLY CA C 45.138 0.3 1 357 274 88 GLY N N 108.239 0.3 1 358 275 89 TYR H H 8.011 0.020 1 359 275 89 TYR C C 175.485 0.3 1 360 275 89 TYR CA C 57.877 0.3 1 361 275 89 TYR CB C 38.740 0.3 1 362 275 89 TYR N N 119.550 0.3 1 363 276 90 ASP H H 8.228 0.020 1 364 276 90 ASP C C 175.658 0.3 1 365 276 90 ASP CA C 54.049 0.3 1 366 276 90 ASP CB C 41.075 0.3 1 367 276 90 ASP N N 120.982 0.3 1 368 277 91 ASN H H 8.142 0.020 1 369 277 91 ASN C C 175.023 0.3 1 370 277 91 ASN CA C 53.159 0.3 1 371 277 91 ASN CB C 38.673 0.3 1 372 277 91 ASN N N 118.441 0.3 1 373 278 92 TYR H H 8.210 0.020 1 374 278 92 TYR C C 176.474 0.3 1 375 278 92 TYR CA C 58.319 0.3 1 376 278 92 TYR CB C 38.333 0.3 1 377 278 92 TYR N N 120.329 0.3 1 378 279 93 GLY H H 8.245 0.020 1 379 279 93 GLY C C 174.643 0.3 1 380 279 93 GLY CA C 45.502 0.3 1 381 279 93 GLY N N 110.352 0.3 1 382 280 94 GLY H H 7.955 0.020 1 383 280 94 GLY C C 174.196 0.3 1 384 280 94 GLY CA C 45.199 0.3 1 385 280 94 GLY N N 108.278 0.3 1 386 281 95 GLY H H 8.212 0.020 1 387 281 95 GLY C C 173.606 0.3 1 388 281 95 GLY CA C 45.150 0.3 1 389 281 95 GLY N N 108.319 0.3 1 390 282 96 ASN H H 8.186 0.020 1 391 282 96 ASN C C 174.928 0.3 1 392 282 96 ASN CA C 52.965 0.3 1 393 282 96 ASN CB C 38.730 0.3 1 394 282 96 ASN N N 118.361 0.3 1 395 283 97 TYR H H 8.172 0.020 1 396 283 97 TYR C C 176.318 0.3 1 397 283 97 TYR CA C 58.137 0.3 1 398 283 97 TYR CB C 38.367 0.3 1 399 283 97 TYR N N 120.610 0.3 1 400 284 98 GLY H H 8.202 0.020 1 401 284 98 GLY C C 174.125 0.3 1 402 284 98 GLY CA C 45.344 0.3 1 403 284 98 GLY N N 110.126 0.3 1 404 285 99 SER H H 8.155 0.020 1 405 285 99 SER C C 175.005 0.3 1 406 285 99 SER CA C 58.422 0.3 1 407 285 99 SER CB C 63.898 0.3 1 408 285 99 SER N N 115.418 0.3 1 409 286 100 GLY H H 8.361 0.020 1 410 286 100 GLY C C 173.603 0.3 1 411 286 100 GLY CA C 45.332 0.3 1 412 286 100 GLY N N 110.272 0.3 1 413 287 101 ASN H H 8.127 0.020 1 414 287 101 ASN C C 174.686 0.3 1 415 287 101 ASN CA C 52.867 0.3 1 416 287 101 ASN CB C 38.856 0.3 1 417 287 101 ASN N N 118.308 0.3 1 418 288 102 TYR H H 8.050 0.020 1 419 288 102 TYR C C 175.279 0.3 1 420 288 102 TYR CA C 57.969 0.3 1 421 288 102 TYR CB C 38.449 0.3 1 422 288 102 TYR N N 120.382 0.3 1 423 289 103 ASN H H 8.233 0.020 1 424 289 103 ASN C C 175.066 0.3 1 425 289 103 ASN CA C 52.972 0.3 1 426 289 103 ASN CB C 38.790 0.3 1 427 289 103 ASN N N 120.417 0.3 1 428 290 104 VAL H H 7.832 0.020 1 429 290 104 VAL C C 175.783 0.3 1 430 290 104 VAL CA C 62.566 0.3 1 431 290 104 VAL CB C 32.343 0.3 1 432 290 104 VAL N N 119.470 0.3 1 433 291 105 PHE H H 8.105 0.020 1 434 291 105 PHE C C 176.148 0.3 1 435 291 105 PHE CA C 57.652 0.3 1 436 291 105 PHE CB C 39.265 0.3 1 437 291 105 PHE N N 121.710 0.3 1 438 292 106 GLY H H 8.028 0.020 1 439 292 106 GLY C C 173.421 0.3 1 440 292 106 GLY CA C 45.349 0.3 1 441 292 106 GLY N N 109.374 0.3 1 442 293 107 ASN H H 8.108 0.020 1 443 293 107 ASN C C 175.018 0.3 1 444 293 107 ASN CA C 53.048 0.3 1 445 293 107 ASN CB C 38.620 0.3 1 446 293 107 ASN N N 118.326 0.3 1 447 294 108 TYR H H 8.125 0.020 1 448 294 108 TYR C C 175.546 0.3 1 449 294 108 TYR CA C 58.133 0.3 1 450 294 108 TYR CB C 38.316 0.3 1 451 294 108 TYR N N 120.532 0.3 1 452 295 109 ASN H H 8.274 0.020 1 453 295 109 ASN C C 174.732 0.3 1 454 295 109 ASN CA C 53.231 0.3 1 455 295 109 ASN CB C 38.616 0.3 1 456 295 109 ASN N N 119.735 0.3 1 457 296 110 GLN H H 8.093 0.020 1 458 296 110 GLN C C 175.439 0.3 1 459 296 110 GLN CA C 55.683 0.3 1 460 296 110 GLN CB C 29.356 0.3 1 461 296 110 GLN N N 119.752 0.3 1 462 297 111 GLN H H 8.279 0.020 1 463 297 111 GLN C C 173.945 0.3 1 464 297 111 GLN CA C 53.691 0.3 1 465 297 111 GLN CB C 28.743 0.3 1 466 297 111 GLN N N 122.061 0.3 1 467 299 113 SER H H 8.338 0.020 1 468 299 113 SER C C 174.264 0.3 1 469 299 113 SER CA C 58.457 0.3 1 470 299 113 SER CB C 63.713 0.3 1 471 299 113 SER N N 115.446 0.3 1 472 300 114 ASN H H 8.292 0.020 1 473 300 114 ASN C C 174.545 0.3 1 474 300 114 ASN CA C 53.065 0.3 1 475 300 114 ASN CB C 38.617 0.3 1 476 300 114 ASN N N 119.933 0.3 1 477 301 115 TYR H H 8.046 0.020 1 478 301 115 TYR C C 175.766 0.3 1 479 301 115 TYR CA C 57.683 0.3 1 480 301 115 TYR CB C 38.898 0.3 1 481 301 115 TYR N N 120.063 0.3 1 482 302 116 GLY H H 8.067 0.020 1 483 302 116 GLY C C 177.734 0.3 1 484 302 116 GLY CA C 44.682 0.3 1 485 302 116 GLY N N 110.164 0.3 1 486 304 118 MET H H 8.365 0.020 1 487 304 118 MET C C 176.293 0.3 1 488 304 118 MET CA C 55.667 0.3 1 489 304 118 MET CB C 32.646 0.3 1 490 304 118 MET N N 119.815 0.3 1 491 305 119 LYS H H 8.251 0.020 1 492 305 119 LYS C C 176.375 0.3 1 493 305 119 LYS CA C 56.280 0.3 1 494 305 119 LYS CB C 32.876 0.3 1 495 305 119 LYS N N 122.393 0.3 1 496 306 120 SER H H 8.231 0.020 1 497 306 120 SER C C 174.767 0.3 1 498 306 120 SER CA C 58.295 0.3 1 499 306 120 SER CB C 63.877 0.3 1 500 306 120 SER N N 116.298 0.3 1 501 307 121 GLY H H 8.301 0.020 1 502 307 121 GLY C C 173.515 0.3 1 503 307 121 GLY CA C 45.334 0.3 1 504 307 121 GLY N N 110.237 0.3 1 505 308 122 ASN H H 8.180 0.020 1 506 308 122 ASN C C 175.032 0.3 1 507 308 122 ASN CA C 53.051 0.3 1 508 308 122 ASN CB C 38.687 0.3 1 509 308 122 ASN N N 118.408 0.3 1 510 309 123 PHE H H 8.240 0.020 1 511 309 123 PHE C C 176.252 0.3 1 512 309 123 PHE CA C 57.810 0.3 1 513 309 123 PHE CB C 39.266 0.3 1 514 309 123 PHE N N 120.776 0.3 1 515 310 124 GLY H H 8.350 0.020 1 516 310 124 GLY C C 174.557 0.3 1 517 310 124 GLY CA C 45.426 0.3 1 518 310 124 GLY N N 110.492 0.3 1 519 311 125 GLY H H 7.956 0.020 1 520 311 125 GLY C C 174.197 0.3 1 521 311 125 GLY CA C 45.244 0.3 1 522 311 125 GLY N N 108.396 0.3 1 523 312 126 SER H H 8.204 0.020 1 524 312 126 SER C C 174.648 0.3 1 525 312 126 SER CA C 58.414 0.3 1 526 312 126 SER CB C 63.829 0.3 1 527 312 126 SER N N 115.520 0.3 1 528 313 127 ARG H H 8.353 0.020 1 529 313 127 ARG C C 175.813 0.3 1 530 313 127 ARG CA C 56.151 0.3 1 531 313 127 ARG CB C 30.586 0.3 1 532 313 127 ARG N N 122.276 0.3 1 533 314 128 ASN H H 8.369 0.020 1 534 314 128 ASN C C 175.134 0.3 1 535 314 128 ASN CA C 53.284 0.3 1 536 314 128 ASN CB C 38.612 0.3 1 537 314 128 ASN N N 119.269 0.3 1 538 315 129 MET H H 8.335 0.020 1 539 315 129 MET C C 176.495 0.3 1 540 315 129 MET CA C 55.487 0.3 1 541 315 129 MET CB C 32.573 0.3 1 542 315 129 MET N N 120.942 0.3 1 543 316 130 GLY H H 8.336 0.020 1 544 316 130 GLY C C 174.121 0.3 1 545 316 130 GLY CA C 45.118 0.3 1 546 316 130 GLY N N 109.256 0.3 1 547 317 131 GLY H H 8.046 0.020 1 548 317 131 GLY C C 178.203 0.3 1 549 317 131 GLY CA C 44.575 0.3 1 550 317 131 GLY N N 108.478 0.3 1 551 319 133 TYR H H 8.236 0.020 1 552 319 133 TYR C C 176.486 0.3 1 553 319 133 TYR CA C 57.644 0.3 1 554 319 133 TYR CB C 38.217 0.3 1 555 319 133 TYR N N 119.672 0.3 1 556 320 134 GLY H H 8.102 0.020 1 557 320 134 GLY C C 174.579 0.3 1 558 320 134 GLY CA C 45.355 0.3 1 559 320 134 GLY N N 110.542 0.3 1 560 321 135 GLY H H 7.936 0.020 1 561 321 135 GLY C C 174.482 0.3 1 562 321 135 GLY CA C 45.282 0.3 1 563 321 135 GLY N N 108.115 0.3 1 564 322 136 GLY H H 8.164 0.020 1 565 322 136 GLY C C 173.593 0.3 1 566 322 136 GLY CA C 45.150 0.3 1 567 322 136 GLY N N 108.144 0.3 1 568 323 137 ASN H H 8.190 0.020 1 569 323 137 ASN CA C 52.973 0.3 1 570 323 137 ASN CB C 38.699 0.3 1 571 323 137 ASN N N 118.366 0.3 1 572 324 138 TYR H H 8.133 0.020 1 573 324 138 TYR C C 175.826 0.3 1 574 324 138 TYR CA C 57.627 0.3 1 575 324 138 TYR CB C 38.699 0.3 1 576 324 138 TYR N N 120.242 0.3 1 577 325 139 GLY H H 8.096 0.020 1 578 325 139 GLY C C 177.849 0.3 1 579 325 139 GLY CA C 44.510 0.3 1 580 325 139 GLY N N 109.798 0.3 1 581 327 141 GLY H H 8.538 0.020 1 582 327 141 GLY C C 174.769 0.3 1 583 327 141 GLY CA C 45.324 0.3 1 584 327 141 GLY N N 109.458 0.3 1 585 328 142 GLY H H 8.167 0.020 1 586 328 142 GLY C C 174.372 0.3 1 587 328 142 GLY CA C 45.220 0.3 1 588 328 142 GLY N N 108.518 0.3 1 589 329 143 SER H H 8.263 0.020 1 590 329 143 SER C C 175.157 0.3 1 591 329 143 SER CA C 58.465 0.3 1 592 329 143 SER CB C 63.824 0.3 1 593 329 143 SER N N 115.503 0.3 1 594 330 144 GLY H H 8.463 0.020 1 595 330 144 GLY C C 174.503 0.3 1 596 330 144 GLY CA C 45.358 0.3 1 597 330 144 GLY N N 110.651 0.3 1 598 331 145 GLY H H 8.183 0.020 1 599 331 145 GLY C C 174.385 0.3 1 600 331 145 GLY CA C 45.223 0.3 1 601 331 145 GLY N N 108.597 0.3 1 602 332 146 SER H H 8.303 0.020 1 603 332 146 SER C C 175.190 0.3 1 604 332 146 SER CA C 58.461 0.3 1 605 332 146 SER CB C 63.808 0.3 1 606 332 146 SER N N 115.592 0.3 1 607 333 147 GLY H H 8.453 0.020 1 608 333 147 GLY C C 174.518 0.3 1 609 333 147 GLY CA C 45.377 0.3 1 610 333 147 GLY N N 110.603 0.3 1 611 334 148 GLY H H 8.116 0.020 1 612 334 148 GLY C C 174.015 0.3 1 613 334 148 GLY CA C 45.029 0.3 1 614 334 148 GLY N N 108.262 0.3 1 615 335 149 TYR H H 8.139 0.020 1 616 335 149 TYR C C 176.611 0.3 1 617 335 149 TYR CA C 58.217 0.3 1 618 335 149 TYR CB C 38.617 0.3 1 619 335 149 TYR N N 120.149 0.3 1 620 336 150 GLY H H 8.417 0.020 1 621 336 150 GLY C C 174.613 0.3 1 622 336 150 GLY CA C 45.464 0.3 1 623 336 150 GLY N N 111.020 0.3 1 624 337 151 GLY H H 7.913 0.020 1 625 337 151 GLY C C 173.984 0.3 1 626 337 151 GLY CA C 45.226 0.3 1 627 337 151 GLY N N 108.214 0.3 1 628 338 152 ARG H H 8.071 0.020 1 629 338 152 ARG C C 176.242 0.3 1 630 338 152 ARG CA C 55.837 0.3 1 631 338 152 ARG CB C 30.908 0.3 1 632 338 152 ARG N N 120.083 0.3 1 633 339 153 SER H H 8.343 0.020 1 634 339 153 SER C C 174.136 0.3 1 635 339 153 SER CA C 58.383 0.3 1 636 339 153 SER CB C 63.741 0.3 1 637 339 153 SER N N 116.987 0.3 1 638 340 154 ARG H H 8.202 0.020 1 639 340 154 ARG C C 174.734 0.3 1 640 340 154 ARG CA C 56.168 0.3 1 641 340 154 ARG CB C 30.849 0.3 1 642 340 154 ARG N N 122.738 0.3 1 643 341 155 TYR H H 7.683 0.020 1 644 341 155 TYR C C 174.279 0.3 1 645 341 155 TYR CA C 58.995 0.3 1 646 341 155 TYR CB C 39.471 0.3 1 647 341 155 TYR N N 125.09 0.3 1 stop_ save_