data_25659 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of TDP-43 Amyloidogenic Core Region ; _BMRB_accession_number 25659 _BMRB_flat_file_name bmr25659.str _Entry_type original _Submission_date 2015-06-11 _Accession_date 2015-06-11 _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 Zhou Chen-Jie . . 4 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" 137 "13C chemical shifts" 144 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-18 original BMRB . 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 '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 5207.811 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; MNFGAFSINPAMMAAAQAAL QSSWGMMGMLASQQNQSGPS 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 GLN 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' D2O 8 v/v '[U-99% 2H]' 'sodium azide' 0.02 v/v '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 collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(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_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D C(CO)NH' '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 8.374 0.004 1 2 311 1 MET HA H 4.578 0.020 1 3 311 1 MET HB2 H 2.971 0.007 2 4 311 1 MET HB3 H 2.971 0.007 2 5 311 1 MET C C 174.692 0.000 1 6 311 1 MET CA C 58.711 0.185 1 7 311 1 MET CB C 35.647 0.000 1 8 311 1 MET N N 121.533 0.045 1 9 313 3 PHE CB C 42.306 0.000 1 10 314 4 GLY H H 8.326 0.004 1 11 314 4 GLY HA2 H 3.869 0.009 2 12 314 4 GLY C C 176.383 0.000 1 13 314 4 GLY CA C 48.363 0.048 1 14 314 4 GLY N N 110.134 0.016 1 15 315 5 ALA H H 8.024 0.004 1 16 315 5 ALA HA H 4.230 0.016 1 17 315 5 ALA HB H 1.389 0.003 1 18 315 5 ALA C C 173.890 0.000 1 19 315 5 ALA CA C 55.926 0.208 1 20 315 5 ALA CB C 22.105 0.000 1 21 315 5 ALA N N 123.607 0.033 1 22 316 6 PHE H H 8.280 0.003 1 23 316 6 PHE HA H 4.434 0.005 1 24 316 6 PHE HB2 H 2.911 0.001 2 25 316 6 PHE C C 179.382 0.000 1 26 316 6 PHE CA C 60.501 0.001 1 27 316 6 PHE CB C 42.044 0.348 1 28 316 6 PHE N N 117.840 0.006 1 29 317 7 SER H H 8.034 0.006 1 30 317 7 SER HA H 4.431 0.015 1 31 317 7 SER HB2 H 4.433 0.000 2 32 317 7 SER C C 175.605 0.000 1 33 317 7 SER CA C 61.071 0.077 1 34 317 7 SER CB C 66.969 0.007 1 35 317 7 SER N N 116.780 0.027 1 36 318 8 ILE H H 8.031 0.004 1 37 318 8 ILE HA H 4.167 0.015 1 38 318 8 ILE HB H 1.807 0.001 1 39 318 8 ILE HG12 H 1.400 0.010 2 40 318 8 ILE HG13 H 1.125 0.007 2 41 318 8 ILE HD1 H 0.839 0.001 1 42 318 8 ILE C C 173.954 0.000 1 43 318 8 ILE CA C 63.922 0.079 1 44 318 8 ILE CB C 41.892 0.113 1 45 318 8 ILE CG1 C 30.205 0.102 1 46 318 8 ILE CG2 C 23.233 0.000 1 47 318 8 ILE CD1 C 20.783 0.000 1 48 318 8 ILE N N 121.594 0.039 1 49 319 9 ASN H H 8.408 0.005 1 50 319 9 ASN HA H 4.735 0.023 1 51 319 9 ASN C C 173.855 0.000 1 52 319 9 ASN CA C 53.972 0.021 1 53 319 9 ASN CB C 35.449 0.000 1 54 319 9 ASN N N 123.586 0.055 1 55 320 10 PRO CA C 67.571 0.073 1 56 320 10 PRO CB C 35.082 0.080 1 57 320 10 PRO CG C 22.153 0.000 1 58 321 11 ALA H H 8.148 0.007 1 59 321 11 ALA HA H 4.239 0.002 1 60 321 11 ALA HB H 1.357 0.001 1 61 321 11 ALA C C 177.896 0.000 1 62 321 11 ALA CA C 56.833 0.013 1 63 321 11 ALA CB C 21.585 0.070 1 64 321 11 ALA N N 121.383 0.055 1 65 322 12 MET H H 7.983 0.010 1 66 322 12 MET HA H 4.350 0.012 1 67 322 12 MET HB2 H 1.954 0.004 2 68 322 12 MET C C 179.410 0.000 1 69 322 12 MET CA C 59.311 0.077 1 70 322 12 MET CB C 35.574 0.159 1 71 322 12 MET N N 118.252 0.063 1 72 323 13 MET H H 7.994 0.009 1 73 323 13 MET HA H 4.295 0.011 1 74 323 13 MET HB2 H 1.955 0.001 2 75 323 13 MET C C 177.516 0.000 1 76 323 13 MET CA C 59.775 0.106 1 77 323 13 MET CB C 35.531 0.068 1 78 323 13 MET N N 120.345 0.053 1 79 324 14 ALA H H 8.173 0.019 1 80 324 14 ALA HA H 4.316 0.000 1 81 324 14 ALA C C 177.132 0.000 1 82 324 14 ALA CB C 21.498 0.000 1 83 324 14 ALA N N 123.529 0.045 1 84 325 15 ALA CA C 56.587 0.080 1 85 325 15 ALA CB C 21.637 0.085 1 86 326 16 ALA H H 8.063 0.007 1 87 326 16 ALA HA H 4.210 0.005 1 88 326 16 ALA HB H 1.373 0.016 1 89 326 16 ALA C C 179.151 0.000 1 90 326 16 ALA CA C 55.630 0.013 1 91 326 16 ALA CB C 21.996 0.012 1 92 326 16 ALA N N 122.142 0.072 1 93 327 17 GLN H H 8.078 0.005 1 94 327 17 GLN HA H 4.623 0.018 1 95 327 17 GLN HB2 H 3.276 0.018 2 96 327 17 GLN HB3 H 3.239 0.006 2 97 327 17 GLN HE21 H 7.720 0.062 2 98 327 17 GLN HE22 H 6.935 0.021 2 99 327 17 GLN C C 179.050 0.000 1 100 327 17 GLN CA C 60.382 0.122 1 101 327 17 GLN CB C 31.995 0.291 1 102 327 17 GLN CG C 36.905 0.000 1 103 327 17 GLN N N 118.353 0.071 1 104 327 17 GLN NE2 N 112.400 0.133 1 105 328 18 ALA H H 8.063 0.009 1 106 328 18 ALA HA H 4.195 0.013 1 107 328 18 ALA HB H 1.406 0.004 1 108 328 18 ALA C C 174.726 0.000 1 109 328 18 ALA CA C 56.706 0.143 1 110 328 18 ALA CB C 21.624 0.046 1 111 328 18 ALA N N 123.056 0.047 1 112 329 19 ALA H H 7.939 0.004 1 113 329 19 ALA HA H 4.203 0.004 1 114 329 19 ALA HB H 1.391 0.000 1 115 329 19 ALA C C 178.806 0.000 1 116 329 19 ALA CA C 56.201 0.095 1 117 329 19 ALA CB C 21.743 0.000 1 118 329 19 ALA N N 121.249 0.043 1 119 330 20 LEU H H 7.848 0.014 1 120 330 20 LEU HA H 4.212 0.012 1 121 330 20 LEU HB2 H 1.621 0.058 2 122 330 20 LEU HB3 H 1.542 0.012 2 123 330 20 LEU HD1 H 0.878 0.000 2 124 330 20 LEU HD2 H 0.827 0.001 2 125 330 20 LEU C C 178.736 0.000 1 126 330 20 LEU CA C 58.842 0.119 1 127 330 20 LEU CB C 45.027 0.059 1 128 330 20 LEU N N 119.911 0.071 1 129 331 21 GLN H H 8.297 0.006 1 130 331 21 GLN HA H 4.077 0.014 1 131 331 21 GLN HE21 H 7.693 0.008 2 132 331 21 GLN HE22 H 7.026 0.005 2 133 331 21 GLN C C 178.081 0.000 1 134 331 21 GLN CA C 59.601 0.013 1 135 331 21 GLN CB C 31.851 0.051 1 136 331 21 GLN N N 120.204 0.037 1 137 331 21 GLN NE2 N 113.080 0.053 1 138 332 22 SER H H 8.127 0.007 1 139 332 22 SER HA H 4.388 0.000 1 140 332 22 SER HB2 H 4.428 0.002 2 141 332 22 SER C C 176.714 0.000 1 142 332 22 SER CA C 62.068 0.011 1 143 332 22 SER CB C 66.629 0.019 1 144 332 22 SER N N 115.543 0.032 1 145 333 23 SER H H 8.148 0.008 1 146 333 23 SER HA H 4.413 0.000 1 147 333 23 SER C C 175.040 0.000 1 148 333 23 SER CA C 61.761 0.010 1 149 333 23 SER CB C 66.649 0.027 1 150 333 23 SER N N 117.331 0.039 1 151 334 24 TRP H H 8.205 0.006 1 152 334 24 TRP HA H 4.301 0.008 1 153 334 24 TRP HB2 H 2.039 0.029 2 154 334 24 TRP HB3 H 1.949 0.000 2 155 334 24 TRP HE1 H 10.510 0.016 1 156 334 24 TRP C C 174.959 0.000 1 157 334 24 TRP CA C 60.288 0.612 1 158 334 24 TRP CB C 32.380 0.126 1 159 334 24 TRP N N 121.505 0.027 1 160 334 24 TRP NE1 N 130.802 0.075 1 161 335 25 GLY H H 8.196 0.007 1 162 335 25 GLY HA2 H 3.858 0.008 2 163 335 25 GLY C C 177.281 0.000 1 164 335 25 GLY CA C 48.541 0.119 1 165 335 25 GLY N N 109.369 0.043 1 166 336 26 MET H H 8.069 0.007 1 167 336 26 MET HA H 4.674 0.010 1 168 336 26 MET HB2 H 2.022 0.000 2 169 336 26 MET HB3 H 1.918 0.000 2 170 336 26 MET HG2 H 2.311 0.000 2 171 336 26 MET HG3 H 2.207 0.000 2 172 336 26 MET C C 171.832 0.000 1 173 336 26 MET CA C 58.900 0.116 1 174 336 26 MET CB C 35.067 0.481 1 175 336 26 MET N N 120.906 0.043 1 176 337 27 MET H H 8.274 0.009 1 177 337 27 MET HA H 4.217 0.000 1 178 337 27 MET C C 176.749 0.000 1 179 337 27 MET CA C 59.109 0.024 1 180 337 27 MET CB C 35.303 0.145 1 181 337 27 MET N N 119.830 0.027 1 182 338 28 GLY H H 8.280 0.008 1 183 338 28 GLY HA2 H 3.908 0.040 2 184 338 28 GLY C C 177.070 0.000 1 185 338 28 GLY CA C 48.621 0.034 1 186 338 28 GLY N N 109.116 0.031 1 187 339 29 MET H H 8.061 0.006 1 188 339 29 MET HA H 4.366 0.018 1 189 339 29 MET HB2 H 2.095 0.024 2 190 339 29 MET HB3 H 1.982 0.022 2 191 339 29 MET C C 174.482 0.000 1 192 339 29 MET CA C 58.779 0.115 1 193 339 29 MET CB C 35.789 0.048 1 194 339 29 MET CG C 35.068 0.000 1 195 339 29 MET N N 119.722 0.077 1 196 340 30 LEU H H 8.177 0.005 1 197 340 30 LEU HA H 4.280 0.007 1 198 340 30 LEU HB2 H 1.592 0.010 2 199 340 30 LEU HB3 H 1.548 0.004 2 200 340 30 LEU C C 176.639 0.000 1 201 340 30 LEU CA C 58.514 0.049 1 202 340 30 LEU CB C 45.192 0.073 1 203 340 30 LEU CG C 30.087 0.000 1 204 340 30 LEU CD1 C 27.831 0.000 2 205 340 30 LEU N N 122.376 0.025 1 206 341 31 ALA H H 8.229 0.010 1 207 341 31 ALA HA H 4.253 0.014 1 208 341 31 ALA HB H 1.367 0.006 1 209 341 31 ALA C C 177.647 0.000 1 210 341 31 ALA CA C 56.100 0.024 1 211 341 31 ALA CB C 21.986 0.019 1 212 341 31 ALA N N 124.247 0.064 1 213 342 32 SER H H 8.111 0.005 1 214 342 32 SER HA H 4.360 0.005 1 215 342 32 SER C C 178.248 0.000 1 216 342 32 SER CA C 61.773 0.003 1 217 342 32 SER CB C 66.710 0.089 1 218 342 32 SER N N 113.900 0.028 1 219 343 33 GLN H H 8.068 0.004 1 220 343 33 GLN HA H 4.606 0.015 1 221 343 33 GLN HB2 H 3.251 0.000 2 222 343 33 GLN C C 174.802 0.000 1 223 343 33 GLN CA C 56.627 0.009 1 224 343 33 GLN CB C 32.227 0.160 1 225 343 33 GLN N N 122.499 0.046 1 226 344 34 GLN H H 8.242 0.004 1 227 344 34 GLN HA H 4.284 0.005 1 228 344 34 GLN HB2 H 2.320 0.008 2 229 344 34 GLN C C 176.182 0.000 1 230 344 34 GLN CA C 58.819 0.219 1 231 344 34 GLN CB C 35.260 0.083 1 232 344 34 GLN N N 120.422 0.043 1 233 345 35 ASN H H 8.340 0.006 1 234 345 35 ASN HA H 4.641 0.014 1 235 345 35 ASN HB2 H 2.842 0.024 2 236 345 35 ASN HB3 H 2.759 0.018 2 237 345 35 ASN C C 173.214 0.000 1 238 345 35 ASN CA C 56.133 0.109 1 239 345 35 ASN CB C 41.774 0.110 1 240 345 35 ASN N N 119.880 0.058 1 241 346 36 GLN H H 8.352 0.009 1 242 346 36 GLN HA H 4.284 0.006 1 243 346 36 GLN C C 175.249 0.000 1 244 346 36 GLN CA C 59.103 0.236 1 245 346 36 GLN CB C 32.401 0.119 1 246 346 36 GLN CG C 36.883 0.000 1 247 346 36 GLN N N 120.650 0.037 1 248 347 37 SER H H 8.352 0.006 1 249 347 37 SER HA H 4.482 0.000 1 250 347 37 SER C C 175.982 0.000 1 251 347 37 SER CA C 61.422 0.014 1 252 347 37 SER CB C 66.988 0.002 1 253 347 37 SER N N 116.805 0.039 1 254 348 38 GLY H H 8.208 0.006 1 255 348 38 GLY HA2 H 4.103 0.006 2 256 348 38 GLY HA3 H 3.754 0.000 2 257 348 38 GLY C C 174.517 0.000 1 258 348 38 GLY CA C 47.586 0.042 1 259 348 38 GLY N N 110.614 0.038 1 260 349 39 PRO CA C 66.296 0.205 1 261 349 39 PRO CB C 35.169 0.092 1 262 349 39 PRO CG C 30.315 0.000 1 263 349 39 PRO CD C 52.811 0.000 1 264 350 40 SER H H 8.473 0.007 1 265 350 40 SER HA H 4.419 0.000 1 266 350 40 SER C C 177.459 0.000 1 267 350 40 SER CA C 61.444 0.065 1 268 350 40 SER CB C 66.886 0.035 1 269 350 40 SER N N 116.010 0.039 1 270 351 41 GLY H H 8.336 0.009 1 271 351 41 GLY HA2 H 3.945 0.002 2 272 351 41 GLY C C 175.162 0.000 1 273 351 41 GLY CA C 48.268 0.098 1 274 351 41 GLY N N 110.385 0.065 1 275 353 43 ASN CA C 56.343 0.033 1 276 353 43 ASN CB C 41.666 0.057 1 277 354 44 GLN H H 8.371 0.003 1 278 354 44 GLN HA H 4.290 0.000 1 279 354 44 GLN C C 175.284 0.000 1 280 354 44 GLN CA C 59.104 0.034 1 281 354 44 GLN CB C 32.391 0.110 1 282 354 44 GLN CG C 36.851 0.000 1 283 354 44 GLN N N 120.251 0.033 1 284 355 45 ASN H H 8.436 0.005 1 285 355 45 ASN HA H 4.671 0.000 1 286 355 45 ASN C C 175.877 0.000 1 287 355 45 ASN CA C 56.462 0.028 1 288 355 45 ASN CB C 41.778 0.064 1 289 355 45 ASN N N 119.325 0.055 1 290 356 46 GLN H H 8.450 0.003 1 291 356 46 GLN HA H 4.678 0.017 1 292 356 46 GLN C C 175.172 0.000 1 293 356 46 GLN CA C 59.180 0.028 1 294 356 46 GLN CB C 32.285 0.153 1 295 356 46 GLN CG C 36.859 0.000 1 296 356 46 GLN N N 119.200 0.018 1 297 357 47 GLY H H 8.414 0.004 1 298 357 47 GLY HA2 H 3.915 0.004 2 299 357 47 GLY C C 176.461 0.000 1 300 357 47 GLY CA C 48.300 0.084 1 301 357 47 GLY N N 109.428 0.042 1 302 358 48 ASN H H 8.286 0.005 1 303 358 48 ASN HA H 4.698 0.009 1 304 358 48 ASN HB2 H 2.803 0.000 2 305 358 48 ASN HB3 H 2.755 0.016 2 306 358 48 ASN C C 173.888 0.000 1 307 358 48 ASN CA C 56.157 0.205 1 308 358 48 ASN CB C 41.813 0.026 1 309 358 48 ASN N N 118.464 0.033 1 310 359 49 MET H H 8.335 0.005 1 311 359 49 MET HA H 4.443 0.021 1 312 359 49 MET HB2 H 2.575 0.000 2 313 359 49 MET HB3 H 2.497 0.000 2 314 359 49 MET C C 175.249 0.000 1 315 359 49 MET CA C 58.608 0.042 1 316 359 49 MET CB C 35.633 0.085 1 317 359 49 MET N N 120.935 0.044 1 318 360 50 GLN H H 7.949 0.004 1 319 360 50 GLN HA H 4.125 0.005 1 320 360 50 GLN HB2 H 2.073 0.000 2 321 360 50 GLN HB3 H 1.888 0.000 2 322 360 50 GLN HG2 H 2.368 0.000 2 323 360 50 GLN HG3 H 2.258 0.000 2 324 360 50 GLN C C 175.319 0.000 1 325 360 50 GLN CA C 60.441 0.001 1 326 360 50 GLN CB C 33.382 0.000 1 327 360 50 GLN N N 126.236 0.032 1 stop_ save_