data_25668 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Q343R Mutant of TDP-43 Amyloidogenic Core Region ; _BMRB_accession_number 25668 _BMRB_flat_file_name bmr25668.str _Entry_type original _Submission_date 2015-06-18 _Accession_date 2015-06-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Lei-Lei . . 2 Zhao Jian . . 3 Hu Hong-Yu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 116 "13C chemical shifts" 106 "15N chemical shifts" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25667 'G335D Mutant of TDP-43 Amyloidogenic Core Region' stop_ _Original_release_date 2016-04-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Two mutations G335D and Q343R within the amyloidogenic core region of TDP-43 influence its aggregation and inclusion formation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27030292 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Lei-Lei . . 2 Zhao Jian . . 3 Yin Xiao-Fang . . 4 He Wen-Tian . . 5 Yang Hui . . 6 Che Mei-Xia . . 7 Hu Hong-Yu . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23928 _Page_last 23928 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Q343R Mutant of TDP-43 Amyloidogenic Core Region' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5236.875 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; MNFGAFSINPAMMAAAQAAL QSSWGMMGMLASRQNQSGPS GNNQNQGNMQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 311 MET 2 312 ASN 3 313 PHE 4 314 GLY 5 315 ALA 6 316 PHE 7 317 SER 8 318 ILE 9 319 ASN 10 320 PRO 11 321 ALA 12 322 MET 13 323 MET 14 324 ALA 15 325 ALA 16 326 ALA 17 327 GLN 18 328 ALA 19 329 ALA 20 330 LEU 21 331 GLN 22 332 SER 23 333 SER 24 334 TRP 25 335 GLY 26 336 MET 27 337 MET 28 338 GLY 29 339 MET 30 340 LEU 31 341 ALA 32 342 SER 33 343 ARG 34 344 GLN 35 345 ASN 36 346 GLN 37 347 SER 38 348 GLY 39 349 PRO 40 350 SER 41 351 GLY 42 352 ASN 43 353 ASN 44 354 GLN 45 355 ASN 46 356 GLN 47 357 GLY 48 358 ASN 49 359 MET 50 360 GLN 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 $entity 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 $entity 'recombinant technology' . Escherichia coli . pHGB 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 $entity 600 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.02 w/v 'natural abundance' D2O 8 % '[U-99% 2H]' H2O 92 % '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 processing stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 80 . mM pH 6.5 . pH pressure 1 . atm temperature 273 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 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 CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HNHA' '3D HCCH-TOCSY' 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 entity _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 1 311 1 MET H H 8.331 0.002 1 2 311 1 MET C C 177.322 0.000 1 3 311 1 MET CA C 55.620 0.000 1 4 311 1 MET CB C 32.620 0.000 1 5 311 1 MET N N 121.564 0.015 1 6 314 4 GLY H H 8.286 0.009 1 7 314 4 GLY HA2 H 3.807 0.050 2 8 314 4 GLY HA3 H 3.001 0.000 2 9 314 4 GLY C C 175.036 0.000 1 10 314 4 GLY CA C 45.237 0.000 1 11 314 4 GLY N N 110.213 0.050 1 12 315 5 ALA H H 7.985 0.006 1 13 315 5 ALA HA H 4.365 0.000 1 14 315 5 ALA HB H 1.155 0.000 1 15 315 5 ALA C C 173.676 0.000 1 16 315 5 ALA CA C 58.331 0.000 1 17 315 5 ALA CB C 19.049 0.000 1 18 315 5 ALA N N 123.597 0.042 1 19 316 6 PHE H H 8.172 0.005 1 20 316 6 PHE HA H 4.327 0.008 1 21 316 6 PHE HD1 H 7.287 0.000 3 22 316 6 PHE HE2 H 7.573 0.000 3 23 316 6 PHE HZ H 6.901 0.000 1 24 316 6 PHE CA C 57.704 0.000 1 25 316 6 PHE CB C 39.489 0.000 1 26 316 6 PHE N N 117.741 0.059 1 27 317 7 SER H H 7.978 0.004 1 28 317 7 SER HA H 4.249 0.000 1 29 317 7 SER CB C 63.956 0.000 1 30 317 7 SER N N 116.831 0.056 1 31 318 8 ILE H H 7.999 0.007 1 32 318 8 ILE HA H 4.121 0.000 1 33 318 8 ILE HD1 H 0.753 0.000 1 34 318 8 ILE CA C 61.023 0.000 1 35 318 8 ILE N N 121.711 0.050 1 36 319 9 ASN H H 8.406 0.007 1 37 319 9 ASN HA H 4.011 0.023 1 38 319 9 ASN C C 175.455 0.000 1 39 319 9 ASN CA C 52.318 0.001 1 40 319 9 ASN CB C 38.717 0.000 1 41 319 9 ASN N N 124.034 0.146 1 42 321 11 ALA H H 8.095 0.010 1 43 321 11 ALA HA H 4.129 0.011 1 44 321 11 ALA HB H 1.286 0.006 1 45 321 11 ALA C C 173.805 0.000 1 46 321 11 ALA CA C 53.286 0.016 1 47 321 11 ALA CB C 18.592 0.000 1 48 321 11 ALA N N 121.486 0.059 1 49 322 12 MET H H 7.956 0.015 1 50 322 12 MET HA H 4.186 0.010 1 51 322 12 MET HB2 H 2.021 0.016 2 52 322 12 MET HB3 H 1.881 0.013 2 53 322 12 MET CA C 55.893 0.015 1 54 322 12 MET CB C 32.645 0.000 1 55 322 12 MET N N 118.406 0.071 1 56 323 13 MET H H 7.925 0.004 1 57 323 13 MET HA H 4.202 0.010 1 58 323 13 MET C C 176.740 0.000 1 59 323 13 MET CA C 55.773 0.567 1 60 323 13 MET CB C 32.697 0.077 1 61 323 13 MET N N 119.678 0.026 1 62 324 14 ALA H H 8.143 0.009 1 63 324 14 ALA HA H 4.126 0.022 1 64 324 14 ALA HB H 1.305 0.002 1 65 324 14 ALA C C 173.502 0.000 1 66 324 14 ALA CA C 53.799 0.123 1 67 324 14 ALA CB C 19.075 0.039 1 68 324 14 ALA N N 123.613 0.101 1 69 325 15 ALA CA C 53.459 0.000 1 70 325 15 ALA CB C 18.727 0.000 1 71 326 16 ALA H H 8.016 0.009 1 72 326 16 ALA HA H 4.173 0.009 1 73 326 16 ALA HB H 1.276 0.006 1 74 326 16 ALA C C 173.893 0.000 1 75 326 16 ALA CA C 53.150 0.000 1 76 326 16 ALA CB C 18.727 0.000 1 77 326 16 ALA N N 122.198 0.021 1 78 327 17 GLN H H 8.041 0.012 1 79 327 17 GLN HA H 4.112 0.000 1 80 327 17 GLN C C 178.727 0.000 1 81 327 17 GLN CA C 56.894 0.347 1 82 327 17 GLN CB C 28.992 0.000 1 83 327 17 GLN N N 118.388 0.054 1 84 328 18 ALA H H 8.023 0.000 1 85 328 18 ALA N N 123.130 0.000 1 86 329 19 ALA H H 7.882 0.020 1 87 329 19 ALA HA H 4.117 0.011 1 88 329 19 ALA CA C 52.988 0.016 1 89 329 19 ALA CB C 18.688 0.039 1 90 329 19 ALA N N 121.206 0.022 1 91 330 20 LEU H H 7.789 0.026 1 92 330 20 LEU HA H 3.966 0.005 1 93 330 20 LEU HB2 H 2.686 0.008 2 94 330 20 LEU HB3 H 2.414 0.009 2 95 330 20 LEU HG H 1.362 0.005 1 96 330 20 LEU CA C 55.822 0.122 1 97 330 20 LEU CB C 42.024 0.136 1 98 330 20 LEU N N 119.923 0.042 1 99 331 21 GLN H H 8.257 0.003 1 100 331 21 GLN C C 178.048 0.000 1 101 331 21 GLN N N 120.205 0.019 1 102 332 22 SER H H 8.087 0.021 1 103 332 22 SER HA H 4.024 0.000 1 104 332 22 SER HB2 H 3.739 0.000 2 105 332 22 SER CA C 58.766 0.096 1 106 332 22 SER CB C 63.685 0.038 1 107 332 22 SER N N 115.598 0.046 1 108 333 23 SER H H 8.096 0.011 1 109 333 23 SER HA H 4.297 0.000 1 110 333 23 SER HB2 H 3.747 0.000 2 111 333 23 SER C C 174.391 0.000 1 112 333 23 SER CA C 61.488 0.000 1 113 333 23 SER CB C 70.684 0.000 1 114 333 23 SER N N 117.414 0.050 1 115 334 24 TRP H H 7.976 0.006 1 116 334 24 TRP HA H 4.373 0.008 1 117 334 24 TRP C C 172.717 0.000 1 118 334 24 TRP CA C 58.332 0.012 1 119 334 24 TRP CB C 32.364 0.000 1 120 334 24 TRP N N 123.619 0.081 1 121 335 25 GLY H H 8.150 0.003 1 122 335 25 GLY HA2 H 3.749 0.024 2 123 335 25 GLY HA3 H 3.187 0.000 2 124 335 25 GLY CA C 45.371 0.097 1 125 335 25 GLY N N 109.393 0.031 1 126 336 26 MET H H 7.965 0.013 1 127 336 26 MET HA H 4.589 0.004 1 128 336 26 MET HB2 H 1.924 0.018 2 129 336 26 MET HB3 H 1.849 0.000 2 130 336 26 MET HG2 H 2.243 0.000 2 131 336 26 MET HG3 H 2.153 0.010 2 132 336 26 MET C C 171.689 0.000 1 133 336 26 MET CA C 55.536 0.069 1 134 336 26 MET CB C 31.343 0.036 1 135 336 26 MET N N 120.610 0.085 1 136 337 27 MET CA C 56.006 0.000 1 137 337 27 MET CB C 32.388 0.000 1 138 338 28 GLY H H 8.232 0.008 1 139 338 28 GLY HA2 H 3.789 0.015 2 140 338 28 GLY CA C 45.381 0.036 1 141 338 28 GLY N N 109.119 0.011 1 142 339 29 MET H H 8.019 0.009 1 143 339 29 MET HA H 4.281 0.006 1 144 339 29 MET HB2 H 2.426 0.000 2 145 339 29 MET HB3 H 1.942 0.016 2 146 339 29 MET C C 179.046 0.000 1 147 339 29 MET CA C 55.693 0.137 1 148 339 29 MET CB C 32.543 0.218 1 149 339 29 MET N N 119.625 0.242 1 150 340 30 LEU H H 8.118 0.004 1 151 340 30 LEU HA H 4.221 0.015 1 152 340 30 LEU HB2 H 1.843 0.000 2 153 340 30 LEU HB3 H 1.797 0.000 2 154 340 30 LEU HG H 1.521 0.007 1 155 340 30 LEU C C 176.907 0.000 1 156 340 30 LEU CA C 54.983 0.031 1 157 340 30 LEU CB C 42.190 0.000 1 158 340 30 LEU N N 122.356 0.023 1 159 341 31 ALA H H 8.140 0.009 1 160 341 31 ALA HA H 4.940 0.005 1 161 341 31 ALA HB H 1.332 0.001 1 162 341 31 ALA C C 173.537 0.000 1 163 341 31 ALA CA C 53.490 0.415 1 164 341 31 ALA CB C 18.785 0.135 1 165 341 31 ALA N N 123.935 0.064 1 166 342 32 SER H H 8.049 0.002 1 167 342 32 SER HA H 4.163 0.000 1 168 342 32 SER HB2 H 3.774 0.002 2 169 342 32 SER CA C 58.368 0.202 1 170 342 32 SER CB C 63.651 0.039 1 171 342 32 SER N N 114.159 0.016 1 172 343 33 ARG H H 8.325 0.009 1 173 343 33 ARG HA H 4.395 0.009 1 174 343 33 ARG HB2 H 2.057 0.000 2 175 343 33 ARG HB3 H 1.896 0.015 2 176 343 33 ARG HG2 H 1.067 0.000 2 177 343 33 ARG C C 173.676 0.000 1 178 343 33 ARG CA C 56.242 0.083 1 179 343 33 ARG CB C 30.502 0.043 1 180 343 33 ARG N N 123.017 0.192 1 181 344 34 GLN H H 8.236 0.002 1 182 344 34 GLN HA H 4.196 0.009 1 183 344 34 GLN CA C 55.311 0.000 1 184 344 34 GLN CB C 32.311 0.000 1 185 344 34 GLN N N 120.573 0.019 1 186 345 35 ASN H H 8.296 0.006 1 187 345 35 ASN HA H 4.338 0.011 1 188 345 35 ASN C C 172.956 0.000 1 189 345 35 ASN CA C 53.311 0.237 1 190 345 35 ASN CB C 38.755 0.038 1 191 345 35 ASN N N 119.931 0.071 1 192 346 36 GLN H H 8.310 0.011 1 193 346 36 GLN HA H 4.659 0.010 1 194 346 36 GLN HB2 H 3.252 0.008 2 195 346 36 GLN HB3 H 3.069 0.015 2 196 346 36 GLN C C 175.224 0.000 1 197 346 36 GLN CA C 55.737 0.158 1 198 346 36 GLN CB C 30.841 0.937 1 199 346 36 GLN N N 120.624 0.021 1 200 347 37 SER H H 8.328 0.012 1 201 347 37 SER HA H 4.239 0.020 1 202 347 37 SER CA C 58.479 0.230 1 203 347 37 SER CB C 63.923 0.000 1 204 347 37 SER N N 116.925 0.026 1 205 348 38 GLY H H 8.187 0.010 1 206 348 38 GLY HA2 H 4.015 0.005 2 207 348 38 GLY C C 174.463 0.000 1 208 348 38 GLY CA C 44.589 0.027 1 209 348 38 GLY N N 110.652 0.043 1 210 350 40 SER H H 8.452 0.006 1 211 350 40 SER HA H 4.335 0.010 1 212 350 40 SER HB2 H 3.800 0.000 2 213 350 40 SER C C 177.406 0.000 1 214 350 40 SER CA C 58.498 0.000 1 215 350 40 SER CB C 63.823 0.000 1 216 350 40 SER N N 116.058 0.065 1 217 351 41 GLY H H 8.297 0.003 1 218 351 41 GLY HA2 H 3.835 0.022 2 219 351 41 GLY C C 175.085 0.000 1 220 351 41 GLY N N 110.491 0.020 1 221 353 43 ASN CA C 53.382 0.000 1 222 353 43 ASN CB C 38.717 0.000 1 223 354 44 GLN H H 8.328 0.004 1 224 354 44 GLN C C 175.280 0.000 1 225 354 44 GLN CA C 56.096 0.003 1 226 354 44 GLN CB C 29.082 0.016 1 227 354 44 GLN N N 120.170 0.053 1 228 355 45 ASN H H 8.410 0.005 1 229 355 45 ASN HA H 5.490 0.006 1 230 355 45 ASN HB2 H 2.026 0.003 2 231 355 45 ASN HB3 H 1.836 0.010 2 232 355 45 ASN C C 175.833 0.000 1 233 355 45 ASN CA C 53.381 0.001 1 234 355 45 ASN CB C 38.717 0.000 1 235 355 45 ASN N N 119.284 0.056 1 236 356 46 GLN H H 8.431 0.027 1 237 356 46 GLN HA H 4.689 0.000 1 238 356 46 GLN C C 173.976 0.000 1 239 356 46 GLN CA C 56.026 0.097 1 240 356 46 GLN CB C 29.080 0.088 1 241 356 46 GLN N N 118.628 0.094 1 242 357 47 GLY H H 8.373 0.001 1 243 357 47 GLY HA2 H 3.831 0.011 2 244 357 47 GLY C C 176.395 0.000 1 245 357 47 GLY CA C 45.274 0.013 1 246 357 47 GLY N N 109.462 0.027 1 247 358 48 ASN H H 8.239 0.001 1 248 358 48 ASN HA H 4.599 0.000 1 249 358 48 ASN C C 173.781 0.000 1 250 358 48 ASN CA C 53.230 0.021 1 251 358 48 ASN CB C 38.699 0.013 1 252 358 48 ASN N N 118.449 0.053 1 253 359 49 MET H H 8.298 0.002 1 254 359 49 MET HA H 4.380 0.000 1 255 359 49 MET C C 175.184 0.000 1 256 359 49 MET CA C 55.613 0.041 1 257 359 49 MET CB C 32.575 0.001 1 258 359 49 MET N N 120.886 0.019 1 259 360 50 GLN H H 7.916 0.002 1 260 360 50 GLN HA H 4.026 0.000 1 261 360 50 GLN C C 175.316 0.000 1 262 360 50 GLN CA C 57.402 0.000 1 263 360 50 GLN CB C 30.255 0.000 1 264 360 50 GLN N N 126.236 0.020 1 stop_ save_