data_26816 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The intrinsically disordered domain of TDP-43 in the presence of 8 M urea ; _BMRB_accession_number 26816 _BMRB_flat_file_name bmr26816.str _Entry_type original _Submission_date 2016-06-15 _Accession_date 2016-06-15 _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 Huang Jie-rong . . 2 Chen Tsai-Chen . . 3 Hsiao Chih-Lun . . 4 Huang Shing-Jong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 "13C chemical shifts" 391 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-16 original BMRB . stop_ _Original_release_date 2016-11-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The nearest-neighbor effect on random-coil NMR chemical shifts demonstrated using a low-complexity amino-acid sequence ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27653629 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Tsai-Chen . . 2 Hsiao Chih-Lun . . 3 Huang Shing-Jong . . 4 Huang Jie-rong . . stop_ _Journal_abbreviation 'Protein Pept. Lett.' _Journal_volume 23 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 967 _Page_last 975 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TDP-43-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TDP-43-C $TDP-43-C stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TDP-43-C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TDP-43-C _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; MASHHHHHHGSSNRQLERSG RFGGNPGGFGNQGGFGNSRG GGAGLGNNQGSNMGGGMNFG AFSINPAMMAAAQAALQSSW GMMGMLASQQNQSGPSGNNQ NQGNMQREPNQAFGSGNNSY SGSNSGAAIGWGSASNAGSG SGFNGGFGSSMDSKSSGWGM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 155 MET 2 156 ALA 3 157 SER 4 158 HIS 5 159 HIS 6 160 HIS 7 161 HIS 8 162 HIS 9 163 HIS 10 164 GLY 11 165 SER 12 166 SER 13 167 ASN 14 168 ARG 15 169 GLN 16 170 LEU 17 171 GLU 18 172 ARG 19 173 SER 20 174 GLY 21 175 ARG 22 176 PHE 23 177 GLY 24 178 GLY 25 179 ASN 26 180 PRO 27 181 GLY 28 182 GLY 29 183 PHE 30 184 GLY 31 185 ASN 32 186 GLN 33 187 GLY 34 188 GLY 35 189 PHE 36 190 GLY 37 191 ASN 38 192 SER 39 193 ARG 40 194 GLY 41 195 GLY 42 196 GLY 43 197 ALA 44 198 GLY 45 199 LEU 46 200 GLY 47 201 ASN 48 202 ASN 49 203 GLN 50 204 GLY 51 205 SER 52 206 ASN 53 207 MET 54 208 GLY 55 209 GLY 56 210 GLY 57 211 MET 58 212 ASN 59 213 PHE 60 214 GLY 61 215 ALA 62 216 PHE 63 217 SER 64 218 ILE 65 219 ASN 66 220 PRO 67 221 ALA 68 222 MET 69 223 MET 70 224 ALA 71 225 ALA 72 226 ALA 73 227 GLN 74 228 ALA 75 229 ALA 76 230 LEU 77 231 GLN 78 232 SER 79 233 SER 80 234 TRP 81 235 GLY 82 236 MET 83 237 MET 84 238 GLY 85 239 MET 86 240 LEU 87 241 ALA 88 242 SER 89 243 GLN 90 244 GLN 91 245 ASN 92 246 GLN 93 247 SER 94 248 GLY 95 249 PRO 96 250 SER 97 251 GLY 98 252 ASN 99 253 ASN 100 254 GLN 101 255 ASN 102 256 GLN 103 257 GLY 104 258 ASN 105 259 MET 106 260 GLN 107 261 ARG 108 262 GLU 109 263 PRO 110 264 ASN 111 265 GLN 112 266 ALA 113 267 PHE 114 268 GLY 115 269 SER 116 270 GLY 117 271 ASN 118 272 ASN 119 273 SER 120 274 TYR 121 275 SER 122 276 GLY 123 277 SER 124 278 ASN 125 279 SER 126 280 GLY 127 281 ALA 128 282 ALA 129 283 ILE 130 284 GLY 131 285 TRP 132 286 GLY 133 287 SER 134 288 ALA 135 289 SER 136 290 ASN 137 291 ALA 138 292 GLY 139 293 SER 140 294 GLY 141 295 SER 142 296 GLY 143 297 PHE 144 298 ASN 145 299 GLY 146 300 GLY 147 301 PHE 148 302 GLY 149 303 SER 150 304 SER 151 305 MET 152 306 ASP 153 307 SER 154 308 LYS 155 309 SER 156 310 SER 157 311 GLY 158 312 TRP 159 313 GLY 160 314 MET 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 $TDP-43-C 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 $TDP-43-C 'recombinant technology' . Escherichia coli . pET21 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 $TDP-43-C 0.8 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 800 _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_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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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 . M pH 2.5 . pH pressure 1 . atm temperature 283 . 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' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HCACO' 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 TDP-43-C _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 1 266 12 SER H H 8.661 . . 2 266 12 SER C C 174.309 . . 3 266 12 SER CA C 58.2835 . . 4 266 12 SER CB C 64.0105 . . 5 266 12 SER N N 118.135 . . 6 267 13 ASN H H 8.646 . . 7 267 13 ASN C C 175.331 . . 8 267 13 ASN CA C 53.3355 . . 9 267 13 ASN CB C 38.8005 . . 10 267 13 ASN N N 121.438 . . 11 268 14 ARG H H 8.488 . . 12 268 14 ARG C C 176.263 . . 13 268 14 ARG CA C 56.4435 . . 14 268 14 ARG CB C 30.8665 . . 15 268 14 ARG N N 122.091 . . 16 269 15 GLN H H 8.583 . . 17 269 15 GLN C C 175.972 . . 18 269 15 GLN CA C 55.8505 . . 19 269 15 GLN CB C 29.4615 . . 20 269 15 GLN N N 122.099 . . 21 270 16 LEU H H 8.446 . . 22 270 16 LEU C C 177.336 . . 23 270 16 LEU CA C 55.2015 . . 24 270 16 LEU CB C 42.3795 . . 25 270 16 LEU N N 124.229 . . 26 271 17 GLU H H 8.566 . . 27 271 17 GLU C C 176.063 . . 28 271 17 GLU CA C 55.6065 . . 29 271 17 GLU CB C 28.9175 . . 30 271 17 GLU N N 122.005 . . 31 272 18 ARG H H 8.640 . . 32 272 18 ARG C C 176.269 . . 33 272 18 ARG CA C 56.2125 . . 34 272 18 ARG CB C 31.0455 . . 35 272 18 ARG N N 123.316 . . 36 273 19 SER H H 8.570 . . 37 273 19 SER C C 174.928 . . 38 273 19 SER CA C 58.3205 . . 39 273 19 SER CB C 64.1885 . . 40 273 19 SER N N 117.443 . . 41 274 20 GLY H H 8.546 . . 42 274 20 GLY C C 173.882 . . 43 274 20 GLY CA C 45.2245 . . 44 274 20 GLY N N 110.828 . . 45 275 21 ARG H H 8.299 . . 46 275 21 ARG C C 176.158 . . 47 275 21 ARG CA C 56.3525 . . 48 275 21 ARG CB C 30.9575 . . 49 275 21 ARG N N 120.858 . . 50 276 22 PHE H H 8.545 . . 51 276 22 PHE C C 176.264 . . 52 276 22 PHE CA C 57.7295 . . 53 276 22 PHE CB C 39.7255 . . 54 276 22 PHE N N 121.697 . . 55 277 23 GLY H H 8.437 . . 56 277 23 GLY C C 174.304 . . 57 277 23 GLY CA C 45.2265 . . 58 277 23 GLY N N 111.178 . . 59 278 24 GLY H H 7.981 . . 60 278 24 GLY C C 173.37 . . 61 278 24 GLY CA C 44.9145 . . 62 278 24 GLY N N 108.016 . . 63 279 25 ASN H H 8.583 . . 64 279 25 ASN C C 173.593 . . 65 279 25 ASN N N 119.294 . . 66 280 26 PRO C C 177.286 . . 67 280 26 PRO CA C 63.7845 . . 68 280 26 PRO CB C 32.1145 . . 69 281 27 GLY H H 8.491 . . 70 281 27 GLY C C 174.424 . . 71 281 27 GLY CA C 45.2315 . . 72 281 27 GLY N N 108.780 . . 73 282 28 GLY H H 8.170 . . 74 282 28 GLY C C 173.887 . . 75 282 28 GLY CA C 45.1175 . . 76 282 28 GLY N N 108.368 . . 77 283 29 PHE H H 8.309 . . 78 283 29 PHE C C 176.461 . . 79 283 29 PHE CA C 57.9795 . . 80 283 29 PHE CB C 39.7915 . . 81 283 29 PHE N N 119.890 . . 82 284 30 GLY H H 8.529 . . 83 284 30 GLY C C 173.887 . . 84 284 30 GLY CA C 45.3465 . . 85 284 30 GLY N N 110.482 . . 86 285 31 ASN H H 8.459 . . 87 285 31 ASN C C 175.581 . . 88 285 31 ASN CA C 53.3065 . . 89 285 31 ASN CB C 38.9575 . . 90 285 31 ASN N N 118.985 . . 91 286 32 GLN H H 8.629 . . 92 286 32 GLN C C 176.464 . . 93 286 32 GLN CA C 56.2655 . . 94 286 32 GLN CB C 29.4045 . . 95 286 32 GLN N N 120.929 . . 96 287 33 GLY H H 8.489 . . 97 287 33 GLY C C 174.365 . . 98 287 33 GLY CA C 45.3145 . . 99 287 33 GLY N N 109.646 . . 100 288 34 GLY H H 8.245 . . 101 288 34 GLY C C 173.929 . . 102 288 34 GLY CA C 45.1175 . . 103 288 34 GLY N N 108.482 . . 104 289 35 PHE H H 8.313 . . 105 289 35 PHE C C 176.46 . . 106 289 35 PHE CA C 57.9805 . . 107 289 35 PHE CB C 39.8205 . . 108 289 35 PHE N N 119.854 . . 109 290 36 GLY H H 8.530 . . 110 290 36 GLY C C 173.808 . . 111 290 36 GLY CA C 45.3395 . . 112 290 36 GLY N N 110.517 . . 113 291 37 ASN H H 8.436 . . 114 291 37 ASN C C 175.571 . . 115 291 37 ASN CA C 53.1065 . . 116 291 37 ASN CB C 39.1245 . . 117 291 37 ASN N N 119.008 . . 118 292 38 SER H H 8.519 . . 119 292 38 SER C C 174.798 . . 120 292 38 SER CA C 58.7815 . . 121 292 38 SER CB C 63.8775 . . 122 292 38 SER N N 116.746 . . 123 293 39 ARG H H 8.571 . . 124 293 39 ARG C C 176.828 . . 125 293 39 ARG CA C 56.4865 . . 126 293 39 ARG CB C 30.8075 . . 127 293 39 ARG N N 123.019 . . 128 294 40 GLY H H 8.461 . . 129 294 40 GLY C C 174.529 . . 130 294 40 GLY CA C 45.3395 . . 131 294 40 GLY N N 109.756 . . 132 295 41 GLY H H 8.375 . . 133 295 41 GLY C C 174.681 . . 134 295 41 GLY CA C 45.2635 . . 135 295 41 GLY N N 108.706 . . 136 296 42 GLY H H 8.414 . . 137 296 42 GLY C C 173.925 . . 138 296 42 GLY CA C 45.2545 . . 139 296 42 GLY N N 108.915 . . 140 297 43 ALA H H 8.382 . . 141 297 43 ALA C C 178.263 . . 142 297 43 ALA CA C 52.6765 . . 143 297 43 ALA CB C 19.3805 . . 144 297 43 ALA N N 123.750 . . 145 298 44 GLY H H 8.484 . . 146 298 44 GLY C C 174.178 . . 147 298 44 GLY CA C 45.2965 . . 148 298 44 GLY N N 108.220 . . 149 299 45 LEU H H 8.248 . . 150 299 45 LEU C C 178.009 . . 151 299 45 LEU CA C 55.2585 . . 152 299 45 LEU CB C 42.5675 . . 153 299 45 LEU N N 121.460 . . 154 300 46 GLY H H 8.543 . . 155 300 46 GLY C C 173.873 . . 156 300 46 GLY CA C 45.2765 . . 157 300 46 GLY N N 109.413 . . 158 301 47 ASN H H 8.458 . . 159 301 47 ASN C C 175.252 . . 160 301 47 ASN CA C 53.1405 . . 161 301 47 ASN CB C 38.9895 . . 162 301 47 ASN N N 118.764 . . 163 302 48 ASN H H 8.655 . . 164 302 48 ASN C C 175.353 . . 165 302 48 ASN CA C 53.3675 . . 166 302 48 ASN CB C 38.7995 . . 167 302 48 ASN N N 119.632 . . 168 303 49 GLN H H 8.497 . . 169 303 49 GLN C C 176.456 . . 170 303 49 GLN CA C 56.3275 . . 171 303 49 GLN CB C 29.3935 . . 172 303 49 GLN N N 120.877 . . 173 304 50 GLY H H 8.487 . . 174 304 50 GLY C C 174.057 . . 175 304 50 GLY CA C 45.2835 . . 176 304 50 GLY N N 109.785 . . 177 305 51 SER H H 8.339 . . 178 305 51 SER C C 174.483 . . 179 305 51 SER CA C 58.3325 . . 180 305 51 SER CB C 64.0905 . . 181 305 51 SER N N 115.509 . . 182 306 52 ASN H H 8.704 . . 183 306 52 ASN C C 175.438 . . 184 306 52 ASN CB C 38.7995 . . 185 306 52 ASN N N 121.110 . . 186 307 53 MET H H 8.489 . . 187 307 53 MET C C 176.812 . . 188 307 53 MET CA C 55.6295 . . 189 307 53 MET CB C 32.7015 . . 190 307 53 MET N N 120.859 . . 191 308 54 GLY H H 8.490 . . 192 308 54 GLY C C 174.559 . . 193 308 54 GLY CA C 45.3795 . . 194 308 54 GLY N N 109.782 . . 195 309 55 GLY H H 8.355 . . 196 309 55 GLY C C 174.674 . . 197 309 55 GLY CA C 45.3105 . . 198 309 55 GLY N N 108.662 . . 199 310 56 GLY H H 8.407 . . 200 310 56 GLY C C 174.096 . . 201 310 56 GLY CA C 45.1755 . . 202 310 56 GLY N N 108.759 . . 203 311 57 MET H H 8.384 . . 204 311 57 MET C C 175.751 . . 205 311 57 MET CA C 55.4405 . . 206 311 57 MET CB C 32.9985 . . 207 311 57 MET N N 119.722 . . 208 312 58 ASN H H 8.566 . . 209 312 58 ASN C C 174.934 . . 210 312 58 ASN CA C 52.9235 . . 211 312 58 ASN CB C 38.9065 . . 212 312 58 ASN N N 120.085 . . 213 313 59 PHE H H 8.416 . . 214 313 59 PHE C C 176.223 . . 215 313 59 PHE CA C 58.1005 . . 216 313 59 PHE CB C 39.5575 . . 217 313 59 PHE N N 121.454 . . 218 314 60 GLY H H 8.440 . . 219 314 60 GLY C C 173.727 . . 220 314 60 GLY CA C 45.2035 . . 221 314 60 GLY N N 110.150 . . 222 315 61 ALA H H 8.148 . . 223 315 61 ALA C C 177.407 . . 224 315 61 ALA CA C 52.6525 . . 225 315 61 ALA CB C 19.2485 . . 226 315 61 ALA N N 123.728 . . 227 316 62 PHE H H 8.269 . . 228 316 62 PHE C C 175.667 . . 229 316 62 PHE CA C 57.5105 . . 230 316 62 PHE CB C 39.7145 . . 231 316 62 PHE N N 119.025 . . 232 317 63 SER H H 8.311 . . 233 317 63 SER C C 174.045 . . 234 317 63 SER CA C 58.0255 . . 235 317 63 SER CB C 64.1295 . . 236 317 63 SER N N 117.694 . . 237 318 64 ILE H H 8.303 . . 238 318 64 ILE C C 175.532 . . 239 318 64 ILE CA C 60.9785 . . 240 318 64 ILE CB C 39.0395 . . 241 318 64 ILE N N 122.487 . . 242 319 65 ASN H H 8.614 . . 243 319 65 ASN C C 173.575 . . 244 319 65 ASN N N 123.651 . . 245 320 66 PRO C C 176.77 . . 246 321 67 ALA H H 8.317 . . 247 321 67 ALA C C 178.113 . . 248 321 67 ALA CA C 52.9065 . . 249 321 67 ALA CB C 18.9545 . . 250 321 67 ALA N N 122.774 . . 251 322 68 MET H H 8.229 . . 252 322 68 MET C C 176.416 . . 253 322 68 MET CA C 55.5215 . . 254 322 68 MET CB C 32.9575 . . 255 322 68 MET N N 118.938 . . 256 323 69 MET H H 8.345 . . 257 323 69 MET C C 176.039 . . 258 323 69 MET CA C 55.6065 . . 259 323 69 MET CB C 33.1345 . . 260 323 69 MET N N 121.793 . . 261 324 70 ALA H H 8.450 . . 262 324 70 ALA C C 177.636 . . 263 324 70 ALA CA C 52.6215 . . 264 324 70 ALA CB C 19.1675 . . 265 324 70 ALA N N 125.596 . . 266 325 71 ALA H H 8.379 . . 267 325 71 ALA C C 177.817 . . 268 325 71 ALA CA C 52.6505 . . 269 325 71 ALA CB C 19.0805 . . 270 325 71 ALA N N 123.648 . . 271 326 72 ALA H H 8.357 . . 272 326 72 ALA C C 177.995 . . 273 326 72 ALA CA C 52.7555 . . 274 326 72 ALA CB C 19.0815 . . 275 326 72 ALA N N 123.286 . . 276 327 73 GLN H H 8.364 . . 277 327 73 GLN C C 176.006 . . 278 327 73 GLN CA C 55.8925 . . 279 327 73 GLN CB C 29.5775 . . 280 327 73 GLN N N 119.514 . . 281 328 74 ALA H H 8.392 . . 282 328 74 ALA C C 177.57 . . 283 328 74 ALA CA C 52.6875 . . 284 328 74 ALA CB C 19.1915 . . 285 328 74 ALA N N 125.344 . . 286 329 75 ALA H H 8.315 . . 287 329 75 ALA C C 177.885 . . 288 329 75 ALA CA C 52.5135 . . 289 329 75 ALA CB C 19.0475 . . 290 329 75 ALA N N 123.189 . . 291 330 76 LEU H H 8.269 . . 292 330 76 LEU C C 177.576 . . 293 330 76 LEU CA C 55.2755 . . 294 330 76 LEU CB C 42.3075 . . 295 330 76 LEU N N 121.683 . . 296 331 77 GLN H H 8.524 . . 297 331 77 GLN C C 176.14 . . 298 331 77 GLN CA C 55.9655 . . 299 331 77 GLN CB C 29.5085 . . 300 331 77 GLN N N 121.429 . . 301 332 78 SER H H 8.485 . . 302 332 78 SER C C 174.645 . . 303 332 78 SER CA C 58.4165 . . 304 332 78 SER CB C 63.9895 . . 305 332 78 SER N N 117.278 . . 306 333 79 SER H H 8.433 . . 307 333 79 SER C C 174.361 . . 308 333 79 SER CA C 58.4885 . . 309 333 79 SER CB C 63.8515 . . 310 333 79 SER N N 117.904 . . 311 334 80 TRP H H 8.266 . . 312 334 80 TRP C C 176.806 . . 313 334 80 TRP CA C 57.7195 . . 314 334 80 TRP CB C 29.7735 . . 315 334 80 TRP N N 123.006 . . 316 335 81 GLY H H 8.325 . . 317 335 81 GLY C C 174.156 . . 318 335 81 GLY CA C 45.4625 . . 319 335 81 GLY N N 110.274 . . 320 336 82 MET H H 8.231 . . 321 336 82 MET C C 176.541 . . 322 336 82 MET CA C 55.7425 . . 323 336 82 MET CB C 32.8685 . . 324 336 82 MET N N 119.828 . . 325 337 83 MET H H 8.554 . . 326 337 83 MET C C 176.801 . . 327 337 83 MET CA C 55.7345 . . 328 337 83 MET CB C 32.7105 . . 329 337 83 MET N N 121.145 . . 330 338 84 GLY H H 8.472 . . 331 338 84 GLY C C 173.975 . . 332 338 84 GLY CA C 45.3885 . . 333 338 84 GLY N N 109.949 . . 334 339 85 MET H H 8.290 . . 335 339 85 MET C C 176.401 . . 336 339 85 MET CA C 55.6535 . . 337 339 85 MET CB C 33.1625 . . 338 339 85 MET N N 119.990 . . 339 340 86 LEU H H 8.460 . . 340 340 86 LEU C C 177.323 . . 341 340 86 LEU CA C 55.0895 . . 342 340 86 LEU CB C 42.3865 . . 343 340 86 LEU N N 123.692 . . 344 341 87 ALA H H 8.505 . . 345 341 87 ALA C C 177.924 . . 346 341 87 ALA CA C 52.7665 . . 347 341 87 ALA CB C 19.1565 . . 348 341 87 ALA N N 125.407 . . 349 342 88 SER H H 8.370 . . 350 342 88 SER C C 174.852 . . 351 342 88 SER CA C 58.4695 . . 352 342 88 SER CB C 63.8555 . . 353 342 88 SER N N 114.989 . . 354 343 89 GLN H H 8.493 . . 355 343 89 GLN C C 176.019 . . 356 343 89 GLN CA C 55.9965 . . 357 343 89 GLN CB C 29.5085 . . 358 343 89 GLN N N 122.191 . . 359 344 90 GLN H H 8.471 . . 360 344 90 GLN C C 175.816 . . 361 344 90 GLN CA C 56.0185 . . 362 344 90 GLN CB C 29.5725 . . 363 344 90 GLN N N 121.166 . . 364 345 91 ASN H H 8.633 . . 365 345 91 ASN C C 175.307 . . 366 345 91 ASN CA C 53.4245 . . 367 345 91 ASN N N 120.225 . . 368 346 92 GLN H H 8.563 . . 369 346 92 GLN C C 175.96 . . 370 346 92 GLN CA C 55.9715 . . 371 346 92 GLN CB C 29.5465 . . 372 346 92 GLN N N 121.254 . . 373 347 93 SER H H 8.498 . . 374 347 93 SER C C 174.596 . . 375 347 93 SER CA C 58.4635 . . 376 347 93 SER CB C 64.1815 . . 377 347 93 SER N N 117.082 . . 378 348 94 GLY H H 8.352 . . 379 348 94 GLY N N 110.457 . . 380 349 95 PRO C C 177.247 . . 381 350 96 SER H H 8.621 . . 382 350 96 SER C C 175.122 . . 383 350 96 SER CA C 58.5465 . . 384 350 96 SER CB C 64.1515 . . 385 350 96 SER N N 116.451 . . 386 351 97 GLY H H 8.571 . . 387 351 97 GLY C C 173.813 . . 388 351 97 GLY CA C 45.3205 . . 389 351 97 GLY N N 110.784 . . 390 352 98 ASN H H 8.445 . . 391 352 98 ASN C C 175.206 . . 392 352 98 ASN CA C 53.1405 . . 393 352 98 ASN CB C 39.0025 . . 394 352 98 ASN N N 118.689 . . 395 353 99 ASN H H 8.624 . . 396 353 99 ASN C C 175.457 . . 397 353 99 ASN CA C 53.4655 . . 398 353 99 ASN CB C 38.7525 . . 399 353 99 ASN N N 119.691 . . 400 354 100 GLN H H 8.512 . . 401 354 100 GLN C C 175.886 . . 402 354 100 GLN CA C 56.1955 . . 403 354 100 GLN CB C 29.3205 . . 404 354 100 GLN N N 120.463 . . 405 355 101 ASN H H 8.581 . . 406 355 101 ASN C C 175.339 . . 407 355 101 ASN CA C 53.4655 . . 408 355 101 ASN CB C 38.7525 . . 409 355 101 ASN N N 119.625 . . 410 356 102 GLN H H 8.502 . . 411 356 102 GLN C C 176.462 . . 412 356 102 GLN CA C 56.3235 . . 413 356 102 GLN N N 120.524 . . 414 357 103 GLY H H 8.505 . . 415 357 103 GLY C C 173.808 . . 416 357 103 GLY CA C 45.3105 . . 417 357 103 GLY N N 109.485 . . 418 358 104 ASN H H 8.442 . . 419 358 104 ASN C C 175.531 . . 420 358 104 ASN CA C 53.2325 . . 421 358 104 ASN CB C 38.8375 . . 422 358 104 ASN N N 118.767 . . 423 359 105 MET H H 8.497 . . 424 359 105 MET C C 176.211 . . 425 359 105 MET CA C 55.6355 . . 426 359 105 MET CB C 32.8035 . . 427 359 105 MET N N 120.987 . . 428 360 106 GLN H H 8.547 . . 429 360 106 GLN C C 175.906 . . 430 360 106 GLN CA C 55.9445 . . 431 360 106 GLN CB C 29.4835 . . 432 360 106 GLN N N 121.912 . . 433 361 107 ARG H H 8.556 . . 434 361 107 ARG C C 176.202 . . 435 361 107 ARG CA C 56.1465 . . 436 361 107 ARG CB C 31.0155 . . 437 361 107 ARG N N 123.112 . . 438 362 108 GLU H H 8.621 . . 439 362 108 GLU C C 174.161 . . 440 362 108 GLU N N 122.830 . . 441 363 109 PRO C C 176.492 . . 442 364 110 ASN H H 8.642 . . 443 364 110 ASN C C 175.398 . . 444 364 110 ASN CA C 53.5545 . . 445 364 110 ASN CB C 38.7655 . . 446 364 110 ASN N N 119.036 . . 447 365 111 GLN H H 8.480 . . 448 365 111 GLN C C 175.456 . . 449 365 111 GLN CA C 55.8415 . . 450 365 111 GLN CB C 29.6375 . . 451 365 111 GLN N N 121.170 . . 452 366 112 ALA H H 8.389 . . 453 366 112 ALA C C 177.395 . . 454 366 112 ALA CA C 52.5075 . . 455 366 112 ALA CB C 19.2045 . . 456 366 112 ALA N N 125.247 . . 457 367 113 PHE H H 8.340 . . 458 367 113 PHE C C 176.395 . . 459 367 113 PHE CA C 57.9455 . . 460 367 113 PHE CB C 39.7995 . . 461 367 113 PHE N N 119.937 . . 462 368 114 GLY H H 8.428 . . 463 368 114 GLY C C 174.051 . . 464 368 114 GLY CA C 45.3055 . . 465 368 114 GLY N N 110.909 . . 466 369 115 SER H H 8.365 . . 467 369 115 SER C C 175.093 . . 468 369 115 SER CA C 58.4815 . . 469 369 115 SER CB C 64.0575 . . 470 369 115 SER N N 115.672 . . 471 370 116 GLY H H 8.470 . . 472 370 116 GLY C C 173.793 . . 473 370 116 GLY CA C 45.3975 . . 474 370 116 GLY N N 110.578 . . 475 371 117 ASN H H 8.422 . . 476 371 117 ASN C C 175.112 . . 477 371 117 ASN CA C 53.2015 . . 478 371 117 ASN CB C 38.9765 . . 479 371 117 ASN N N 118.778 . . 480 372 118 ASN H H 8.596 . . 481 372 118 ASN C C 175.262 . . 482 372 118 ASN CA C 53.2635 . . 483 372 118 ASN CB C 38.9745 . . 484 372 118 ASN N N 119.767 . . 485 373 119 SER H H 8.366 . . 486 373 119 SER C C 174.204 . . 487 373 119 SER CA C 58.5935 . . 488 373 119 SER CB C 63.9045 . . 489 373 119 SER N N 116.169 . . 490 374 120 TYR H H 8.379 . . 491 374 120 TYR C C 175.966 . . 492 374 120 TYR CA C 58.0815 . . 493 374 120 TYR CB C 38.8515 . . 494 374 120 TYR N N 122.493 . . 495 375 121 SER H H 8.393 . . 496 375 121 SER C C 174.761 . . 497 375 121 SER CA C 58.2795 . . 498 375 121 SER CB C 64.0105 . . 499 375 121 SER N N 118.406 . . 500 376 122 GLY H H 7.881 . . 501 376 122 GLY C C 173.956 . . 502 376 122 GLY CA C 45.3215 . . 503 376 122 GLY N N 110.483 . . 504 377 123 SER H H 8.329 . . 505 377 123 SER C C 174.576 . . 506 377 123 SER CA C 58.4075 . . 507 377 123 SER CB C 64.0225 . . 508 377 123 SER N N 115.346 . . 509 378 124 ASN H H 8.680 . . 510 378 124 ASN C C 175.416 . . 511 378 124 ASN CA C 53.2525 . . 512 378 124 ASN CB C 38.8895 . . 513 378 124 ASN N N 121.259 . . 514 379 125 SER H H 8.424 . . 515 379 125 SER C C 175.04 . . 516 379 125 SER CA C 58.8415 . . 517 379 125 SER CB C 63.9295 . . 518 379 125 SER N N 116.400 . . 519 380 126 GLY H H 8.478 . . 520 380 126 GLY C C 173.68 . . 521 380 126 GLY CA C 45.2375 . . 522 380 126 GLY N N 110.909 . . 523 381 127 ALA H H 8.114 . . 524 381 127 ALA C C 177.408 . . 525 381 127 ALA CA C 52.3665 . . 526 381 127 ALA CB C 19.4325 . . 527 381 127 ALA N N 123.606 . . 528 382 128 ALA H H 8.334 . . 529 382 128 ALA C C 177.625 . . 530 382 128 ALA CA C 52.3855 . . 531 382 128 ALA CB C 18.9995 . . 532 382 128 ALA N N 123.755 . . 533 383 129 ILE H H 8.197 . . 534 383 129 ILE C C 176.712 . . 535 383 129 ILE CA C 61.2685 . . 536 383 129 ILE CB C 38.8515 . . 537 383 129 ILE N N 120.454 . . 538 384 130 GLY H H 8.428 . . 539 384 130 GLY C C 173.778 . . 540 384 130 GLY CA C 45.1205 . . 541 384 130 GLY N N 112.778 . . 542 385 131 TRP H H 8.224 . . 543 385 131 TRP C C 176.795 . . 544 385 131 TRP CA C 57.5455 . . 545 385 131 TRP CB C 29.9645 . . 546 385 131 TRP N N 121.424 . . 547 386 132 GLY H H 8.436 . . 548 386 132 GLY C C 174.039 . . 549 386 132 GLY CA C 45.2905 . . 550 386 132 GLY N N 110.885 . . 551 387 133 SER H H 8.285 . . 552 387 133 SER C C 174.512 . . 553 387 133 SER CA C 58.3175 . . 554 387 133 SER CB C 64.1235 . . 555 387 133 SER N N 115.857 . . 556 388 134 ALA H H 8.529 . . 557 388 134 ALA C C 177.807 . . 558 388 134 ALA CA C 52.7025 . . 559 388 134 ALA CB C 19.1905 . . 560 388 134 ALA N N 126.131 . . 561 389 135 SER H H 8.366 . . 562 389 135 SER C C 174.503 . . 563 389 135 SER CA C 58.4115 . . 564 389 135 SER CB C 63.9015 . . 565 389 135 SER N N 114.896 . . 566 390 136 ASN H H 8.509 . . 567 390 136 ASN C C 175.055 . . 568 390 136 ASN CA C 53.1015 . . 569 390 136 ASN CB C 38.8995 . . 570 390 136 ASN N N 121.054 . . 571 391 137 ALA H H 8.329 . . 572 391 137 ALA C C 178.098 . . 573 391 137 ALA CA C 52.9445 . . 574 391 137 ALA CB C 19.1865 . . 575 391 137 ALA N N 124.301 . . 576 392 138 GLY H H 8.406 . . 577 392 138 GLY C C 174.314 . . 578 392 138 GLY CA C 45.2885 . . 579 392 138 GLY N N 108.055 . . 580 393 139 SER H H 8.333 . . 581 393 139 SER C C 175.202 . . 582 393 139 SER CA C 58.6115 . . 583 393 139 SER CB C 64.0655 . . 584 393 139 SER N N 115.661 . . 585 394 140 GLY H H 8.587 . . 586 394 140 GLY C C 174.236 . . 587 394 140 GLY CA C 45.3055 . . 588 394 140 GLY N N 111.115 . . 589 395 141 SER H H 8.371 . . 590 395 141 SER C C 175.057 . . 591 395 141 SER CA C 58.5985 . . 592 395 141 SER CB C 64.0915 . . 593 395 141 SER N N 115.674 . . 594 396 142 GLY H H 8.519 . . 595 396 142 GLY C C 173.742 . . 596 396 142 GLY CA C 45.1725 . . 597 396 142 GLY N N 110.729 . . 598 397 143 PHE H H 8.294 . . 599 397 143 PHE C C 175.771 . . 600 397 143 PHE CA C 58.0285 . . 601 397 143 PHE CB C 39.7565 . . 602 397 143 PHE N N 120.580 . . 603 398 144 ASN H H 8.608 . . 604 398 144 ASN C C 175.359 . . 605 398 144 ASN CA C 52.9415 . . 606 398 144 ASN CB C 38.9145 . . 607 398 144 ASN N N 122.180 . . 608 399 145 GLY H H 7.798 . . 609 399 145 GLY C C 174.287 . . 610 399 145 GLY CA C 45.5245 . . 611 399 145 GLY N N 108.715 . . 612 400 146 GLY H H 8.189 . . 613 400 146 GLY C C 173.926 . . 614 400 146 GLY CA C 45.0705 . . 615 400 146 GLY N N 108.323 . . 616 401 147 PHE H H 8.303 . . 617 401 147 PHE C C 176.484 . . 618 401 147 PHE CA C 58.1235 . . 619 401 147 PHE CB C 39.7435 . . 620 401 147 PHE N N 120.150 . . 621 402 148 GLY H H 8.502 . . 622 402 148 GLY C C 174.049 . . 623 402 148 GLY CA C 45.2955 . . 624 402 148 GLY N N 110.847 . . 625 403 149 SER H H 8.306 . . 626 403 149 SER C C 174.962 . . 627 403 149 SER CA C 58.3265 . . 628 403 149 SER CB C 64.1515 . . 629 403 149 SER N N 115.686 . . 630 404 150 SER H H 8.596 . . 631 404 150 SER C C 174.837 . . 632 404 150 SER CA C 58.6805 . . 633 404 150 SER CB C 63.8035 . . 634 404 150 SER N N 118.213 . . 635 405 151 MET H H 8.476 . . 636 405 151 MET C C 176.076 . . 637 405 151 MET CA C 55.7945 . . 638 405 151 MET CB C 32.6955 . . 639 405 151 MET N N 121.995 . . 640 406 152 ASP H H 8.499 . . 641 406 152 ASP C C 175.146 . . 642 406 152 ASP CA C 52.9265 . . 643 406 152 ASP CB C 38.1555 . . 644 406 152 ASP N N 119.924 . . 645 407 153 SER H H 8.369 . . 646 407 153 SER C C 174.655 . . 647 407 153 SER CA C 58.5165 . . 648 407 153 SER CB C 63.9355 . . 649 407 153 SER N N 116.807 . . 650 408 154 LYS H H 8.461 . . 651 408 154 LYS C C 176.739 . . 652 408 154 LYS CA C 56.5855 . . 653 408 154 LYS CB C 33.1955 . . 654 408 154 LYS N N 123.296 . . 655 409 155 SER H H 8.433 . . 656 409 155 SER C C 174.713 . . 657 409 155 SER CA C 58.3095 . . 658 409 155 SER CB C 63.9855 . . 659 409 155 SER N N 116.898 . . 660 410 156 SER H H 8.470 . . 661 410 156 SER C C 174.882 . . 662 410 156 SER CA C 58.6255 . . 663 410 156 SER CB C 63.9995 . . 664 410 156 SER N N 117.913 . . 665 411 157 GLY H H 8.407 . . 666 411 157 GLY C C 173.797 . . 667 411 157 GLY CA C 45.3075 . . 668 411 157 GLY N N 110.437 . . 669 412 158 TRP H H 8.187 . . 670 412 158 TRP C C 176.772 . . 671 412 158 TRP CA C 57.6175 . . 672 412 158 TRP CB C 29.7855 . . 673 412 158 TRP N N 121.236 . . 674 413 159 GLY H H 8.406 . . 675 413 159 GLY C C 173.779 . . 676 413 159 GLY CA C 45.2925 . . 677 413 159 GLY N N 111.038 . . 678 414 160 MET H H 8.143 . . 679 414 160 MET C C 178.578 . . 680 414 160 MET CA C 54.5715 . . 681 414 160 MET N N 120.033 . . stop_ save_