data_25667 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the G335D Mutant of TDP-43 Amyloidogenic Core Region ; _BMRB_accession_number 25667 _BMRB_flat_file_name bmr25667.str _Entry_type original _Submission_date 2015-06-17 _Accession_date 2015-06-17 _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" 139 "13C chemical shifts" 118 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25668 'Q343R 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 'G335D 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 5265.847 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; MNFGAFSINPAMMAAAQAAL QSSWDMMGMLASQQNQSGPS 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 ASP 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 % '[U-99% 2H]' 'sodium azide' 0.02 w/v 'natural abundance' 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_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_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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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 CBCA(CO)NH' '3D HNCACB' '3D HNHA' '3D C(CO)NH' '3D HNCO' '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 8.385 0.008 1 2 311 1 MET N N 121.529 0.000 1 3 313 3 PHE C C 175.149 0.000 1 4 314 4 GLY H H 8.338 0.011 1 5 314 4 GLY HA2 H 3.878 0.002 2 6 314 4 GLY C C 173.918 0.000 1 7 314 4 GLY CA C 45.059 0.000 1 8 314 4 GLY N N 110.148 0.034 1 9 315 5 ALA H H 8.032 0.003 1 10 315 5 ALA HA H 4.251 0.000 1 11 315 5 ALA N N 123.626 0.037 1 12 316 6 PHE H H 8.286 0.014 1 13 316 6 PHE HA H 4.463 0.000 1 14 316 6 PHE C C 175.568 0.000 1 15 316 6 PHE N N 117.829 0.014 1 16 317 7 SER H H 8.056 0.011 1 17 317 7 SER HA H 4.441 0.000 1 18 317 7 SER C C 174.661 0.000 1 19 317 7 SER CB C 63.893 0.000 1 20 317 7 SER N N 116.896 0.097 1 21 318 8 ILE H H 8.047 0.016 1 22 318 8 ILE HA H 4.262 0.005 1 23 318 8 ILE HB H 1.915 0.001 1 24 318 8 ILE HG12 H 1.509 0.005 2 25 318 8 ILE HG13 H 1.234 0.006 2 26 318 8 ILE HD1 H 0.939 0.009 1 27 318 8 ILE C C 175.540 0.000 1 28 318 8 ILE CA C 61.601 0.002 1 29 318 8 ILE CB C 39.035 0.099 1 30 318 8 ILE CG1 C 27.393 0.108 1 31 318 8 ILE CG2 C 19.883 0.000 1 32 318 8 ILE CD1 C 17.520 0.000 1 33 318 8 ILE N N 121.668 0.018 1 34 319 9 ASN H H 8.419 0.011 1 35 319 9 ASN HA H 4.741 0.000 1 36 319 9 ASN N N 123.549 0.057 1 37 320 10 PRO C C 174.975 0.000 1 38 321 11 ALA H H 8.170 0.013 1 39 321 11 ALA HA H 4.182 0.000 1 40 321 11 ALA HB H 1.431 0.010 1 41 321 11 ALA CA C 53.258 0.000 1 42 321 11 ALA CB C 18.398 0.000 1 43 321 11 ALA N N 121.415 0.066 1 44 322 12 MET H H 8.001 0.007 1 45 322 12 MET HA H 4.414 0.000 1 46 322 12 MET HB2 H 2.105 0.009 2 47 322 12 MET HG2 H 2.546 0.006 2 48 322 12 MET C C 176.718 0.000 1 49 322 12 MET CA C 56.000 0.000 1 50 322 12 MET CB C 32.106 0.000 1 51 322 12 MET N N 118.223 0.084 1 52 323 13 MET H H 8.011 0.012 1 53 323 13 MET HA H 4.339 0.009 1 54 323 13 MET HB2 H 2.082 0.011 2 55 323 13 MET HE H 1.524 0.011 0 56 323 13 MET C C 177.799 0.000 1 57 323 13 MET CA C 56.191 0.002 1 58 323 13 MET CB C 31.874 0.000 1 59 323 13 MET N N 120.466 0.068 1 60 324 14 ALA H H 8.183 0.007 1 61 324 14 ALA HA H 4.257 0.009 1 62 324 14 ALA HB H 1.284 0.000 1 63 324 14 ALA N N 123.816 0.077 1 64 325 15 ALA C C 174.696 0.000 1 65 325 15 ALA CA C 53.257 0.000 1 66 325 15 ALA CB C 18.466 0.000 1 67 326 16 ALA H H 8.078 0.007 1 68 326 16 ALA HA H 4.331 0.011 1 69 326 16 ALA HB H 1.336 0.003 1 70 326 16 ALA C C 177.381 0.000 1 71 326 16 ALA CA C 52.677 0.012 1 72 326 16 ALA CB C 18.722 0.000 1 73 326 16 ALA N N 122.221 0.043 1 74 327 17 GLN H H 8.099 0.005 1 75 327 17 GLN HA H 4.183 0.012 1 76 327 17 GLN HB2 H 2.087 0.011 2 77 327 17 GLN HG2 H 2.356 0.000 2 78 327 17 GLN HE21 H 7.609 0.009 2 79 327 17 GLN HE22 H 6.964 0.000 2 80 327 17 GLN C C 172.918 0.000 1 81 327 17 GLN CA C 56.701 0.001 1 82 327 17 GLN CB C 28.906 0.000 1 83 327 17 GLN CG C 33.661 0.000 1 84 327 17 GLN N N 118.366 0.057 1 85 327 17 GLN NE2 N 112.318 0.024 1 86 328 18 ALA H H 8.107 0.018 1 87 328 18 ALA HA H 4.338 0.004 1 88 328 18 ALA HB H 1.493 0.010 1 89 328 18 ALA C C 176.126 0.000 1 90 328 18 ALA CA C 53.212 0.043 1 91 328 18 ALA CB C 18.520 0.000 1 92 328 18 ALA N N 123.574 0.068 1 93 329 19 ALA H H 7.985 0.021 1 94 329 19 ALA HA H 4.199 0.010 1 95 329 19 ALA HB H 1.436 0.012 1 96 329 19 ALA CA C 52.809 0.000 1 97 329 19 ALA CB C 18.545 0.000 1 98 329 19 ALA N N 121.502 0.028 1 99 330 20 LEU H H 7.900 0.009 1 100 330 20 LEU HA H 4.258 0.000 1 101 330 20 LEU HB2 H 1.607 0.000 2 102 330 20 LEU HD1 H 0.888 0.000 2 103 330 20 LEU HD2 H 0.837 0.000 2 104 330 20 LEU C C 178.078 0.000 1 105 330 20 LEU CA C 56.445 0.000 1 106 330 20 LEU CB C 41.810 0.000 1 107 330 20 LEU N N 120.175 0.061 1 108 331 21 GLN H H 8.310 0.006 1 109 331 21 GLN HA H 4.071 0.022 1 110 331 21 GLN HG2 H 2.535 0.002 2 111 331 21 GLN CA C 56.131 0.002 1 112 331 21 GLN CB C 29.094 0.000 1 113 331 21 GLN CG C 33.604 0.000 1 114 331 21 GLN N N 120.194 0.053 1 115 332 22 SER H H 8.245 0.007 1 116 332 22 SER HA H 4.421 0.000 1 117 332 22 SER N N 115.944 0.029 1 118 333 23 SER H H 8.143 0.000 1 119 333 23 SER C C 174.661 0.000 1 120 333 23 SER N N 117.327 0.000 1 121 334 24 TRP H H 8.092 0.005 1 122 334 24 TRP HA H 4.646 0.000 1 123 334 24 TRP HB2 H 3.265 0.024 2 124 334 24 TRP HB3 H 1.962 0.000 2 125 334 24 TRP HE1 H 10.522 0.003 1 126 334 24 TRP C C 176.928 0.000 1 127 334 24 TRP CA C 56.099 0.000 1 128 334 24 TRP CB C 31.916 0.000 1 129 334 24 TRP N N 123.002 0.060 1 130 334 24 TRP NE1 N 130.858 0.020 1 131 335 25 ASP H H 8.205 0.014 1 132 335 25 ASP HA H 4.416 0.016 1 133 335 25 ASP HB2 H 2.581 0.003 2 134 335 25 ASP HB3 H 2.082 0.000 2 135 335 25 ASP C C 176.300 0.000 1 136 335 25 ASP CA C 54.354 0.045 1 137 335 25 ASP CB C 40.572 0.000 1 138 335 25 ASP N N 119.016 0.059 1 139 336 26 MET H H 8.063 0.012 1 140 336 26 MET HA H 3.988 0.008 1 141 336 26 MET HB2 H 2.051 0.008 2 142 336 26 MET HG2 H 2.546 0.000 2 143 336 26 MET HG3 H 2.488 0.000 2 144 336 26 MET C C 175.707 0.000 1 145 336 26 MET CA C 55.159 0.036 1 146 336 26 MET CB C 31.874 0.000 1 147 336 26 MET N N 120.419 0.092 1 148 337 27 MET H H 8.346 0.004 1 149 337 27 MET HA H 4.678 0.000 1 150 337 27 MET HB2 H 2.058 0.007 2 151 337 27 MET C C 177.451 0.000 1 152 337 27 MET CA C 56.106 0.000 1 153 337 27 MET CB C 32.013 0.000 1 154 337 27 MET CE C 18.951 0.000 1 155 337 27 MET N N 119.862 0.084 1 156 338 28 GLY H H 8.254 0.013 1 157 338 28 GLY HA2 H 4.251 0.000 2 158 338 28 GLY HA3 H 3.920 0.025 2 159 338 28 GLY C C 174.731 0.000 1 160 338 28 GLY CA C 45.575 0.094 1 161 338 28 GLY N N 109.026 0.039 1 162 339 29 MET H H 8.068 0.013 1 163 339 29 MET HA H 4.410 0.012 1 164 339 29 MET HB2 H 2.172 0.016 2 165 339 29 MET HB3 H 2.106 0.031 2 166 339 29 MET HG2 H 2.462 0.019 2 167 339 29 MET C C 176.753 0.000 1 168 339 29 MET CA C 56.247 0.172 1 169 339 29 MET CB C 31.844 0.000 1 170 339 29 MET N N 120.118 0.047 1 171 340 30 LEU H H 8.177 0.005 1 172 340 30 LEU HA H 4.323 0.031 1 173 340 30 LEU HB2 H 1.686 0.027 2 174 340 30 LEU HD1 H 0.883 0.039 2 175 340 30 LEU HD2 H 0.363 0.000 2 176 340 30 LEU CA C 55.336 0.046 1 177 340 30 LEU CB C 41.950 0.000 1 178 340 30 LEU CG C 26.824 0.000 1 179 340 30 LEU CD1 C 24.633 0.000 2 180 340 30 LEU N N 122.097 0.055 1 181 341 31 ALA H H 8.180 0.015 1 182 341 31 ALA HA H 4.334 0.007 1 183 341 31 ALA HB H 1.467 0.028 1 184 341 31 ALA C C 178.324 0.000 1 185 341 31 ALA CA C 53.129 0.041 1 186 341 31 ALA CB C 18.659 0.000 1 187 341 31 ALA N N 123.844 0.048 1 188 342 32 SER H H 8.096 0.017 1 189 342 32 SER HA H 4.395 0.000 1 190 342 32 SER HB2 H 3.758 0.013 2 191 342 32 SER C C 174.975 0.000 1 192 342 32 SER CA C 58.511 0.000 1 193 342 32 SER CB C 63.372 0.000 1 194 342 32 SER N N 113.799 0.021 1 195 343 33 GLN H H 8.219 0.018 1 196 343 33 GLN HA H 4.515 0.009 1 197 343 33 GLN HB2 H 2.241 0.010 2 198 343 33 GLN HB3 H 2.075 0.000 2 199 343 33 GLN HG2 H 2.601 0.000 2 200 343 33 GLN HG3 H 2.526 0.003 2 201 343 33 GLN HE21 H 7.469 0.010 2 202 343 33 GLN C C 176.230 0.000 1 203 343 33 GLN CA C 55.882 0.018 1 204 343 33 GLN CB C 29.175 0.000 1 205 343 33 GLN CG C 33.599 0.000 1 206 343 33 GLN N N 121.045 0.052 1 207 343 33 GLN NE2 N 111.934 0.043 1 208 344 34 GLN H H 8.238 0.010 1 209 344 34 GLN HA H 4.398 0.014 1 210 344 34 GLN HB2 H 2.180 0.006 2 211 344 34 GLN HB3 H 2.064 0.002 2 212 344 34 GLN HG2 H 2.436 0.000 2 213 344 34 GLN CA C 55.771 0.076 1 214 344 34 GLN CB C 29.284 0.000 1 215 344 34 GLN CG C 33.549 0.000 1 216 344 34 GLN N N 120.302 0.097 1 217 345 35 ASN H H 8.408 0.008 1 218 345 35 ASN HA H 4.694 0.000 1 219 345 35 ASN HB2 H 2.930 0.000 2 220 345 35 ASN C C 175.289 0.000 1 221 345 35 ASN CA C 53.413 0.000 1 222 345 35 ASN CB C 38.461 0.000 1 223 345 35 ASN N N 119.326 0.014 1 224 346 36 GLN H H 8.366 0.004 1 225 346 36 GLN HA H 4.057 0.011 1 226 346 36 GLN HB2 H 2.197 0.000 2 227 346 36 GLN HB3 H 2.050 0.000 2 228 346 36 GLN C C 176.009 0.000 1 229 346 36 GLN CA C 55.671 0.002 1 230 346 36 GLN CB C 29.049 0.000 1 231 346 36 GLN CG C 33.512 0.000 1 232 346 36 GLN N N 120.640 0.089 1 233 347 37 SER H H 8.364 0.003 1 234 347 37 SER HA H 4.506 0.003 1 235 347 37 SER HB3 H 3.877 0.000 2 236 347 37 SER C C 174.595 0.000 1 237 347 37 SER CA C 58.548 0.030 1 238 347 37 SER CB C 64.048 0.000 1 239 347 37 SER N N 116.808 0.031 1 240 348 38 GLY H H 8.221 0.005 1 241 348 38 GLY HA2 H 4.119 0.000 2 242 348 38 GLY N N 110.627 0.024 1 243 349 39 PRO C C 177.497 0.000 1 244 349 39 PRO CA C 63.262 0.000 1 245 349 39 PRO CB C 31.949 0.000 1 246 349 39 PRO CG C 27.030 0.000 1 247 349 39 PRO CD C 49.584 0.000 1 248 350 40 SER H H 8.474 0.001 1 249 350 40 SER C C 175.193 0.000 1 250 350 40 SER CA C 58.568 0.000 1 251 350 40 SER CB C 63.900 0.000 1 252 350 40 SER N N 115.992 0.028 1 253 351 41 GLY H H 8.352 0.007 1 254 351 41 GLY HA2 H 3.987 0.000 2 255 351 41 GLY N N 110.440 0.018 1 256 353 43 ASN CA C 53.555 0.000 1 257 353 43 ASN CB C 38.461 0.000 1 258 354 44 GLN H H 8.388 0.003 1 259 354 44 GLN HA H 4.307 0.007 1 260 354 44 GLN C C 175.916 0.000 1 261 354 44 GLN CA C 55.948 0.002 1 262 354 44 GLN CB C 29.163 0.000 1 263 354 44 GLN CG C 33.586 0.000 1 264 354 44 GLN N N 120.218 0.019 1 265 355 45 ASN H H 8.457 0.005 1 266 355 45 ASN HA H 4.697 0.000 1 267 355 45 ASN C C 175.114 0.000 1 268 355 45 ASN CA C 53.239 0.000 1 269 355 45 ASN CB C 38.581 0.000 1 270 355 45 ASN N N 119.285 0.058 1 271 356 46 GLN H H 8.469 0.006 1 272 356 46 GLN HA H 4.776 0.006 1 273 356 46 GLN HB2 H 2.129 0.000 2 274 356 46 GLN HB3 H 2.033 0.000 2 275 356 46 GLN HG2 H 2.422 0.000 2 276 356 46 GLN HG3 H 2.316 0.000 2 277 356 46 GLN C C 176.405 0.000 1 278 356 46 GLN CA C 55.865 0.043 1 279 356 46 GLN CB C 29.239 0.000 1 280 356 46 GLN CG C 33.600 0.000 1 281 356 46 GLN N N 119.185 0.043 1 282 357 47 GLY H H 8.424 0.007 1 283 357 47 GLY HA2 H 4.245 0.000 2 284 357 47 GLY HA3 H 3.957 0.009 2 285 357 47 GLY C C 173.923 0.000 1 286 357 47 GLY CA C 45.488 0.300 1 287 357 47 GLY N N 109.452 0.053 1 288 358 48 ASN H H 8.295 0.009 1 289 358 48 ASN HA H 4.736 0.000 1 290 358 48 ASN C C 175.184 0.000 1 291 358 48 ASN CA C 53.406 0.000 1 292 358 48 ASN CB C 38.470 0.000 1 293 358 48 ASN N N 118.477 0.032 1 294 359 49 MET H H 8.349 0.004 1 295 359 49 MET HA H 4.482 0.022 1 296 359 49 MET C C 175.289 0.000 1 297 359 49 MET CA C 55.358 0.002 1 298 359 49 MET CB C 33.212 0.000 1 299 359 49 MET CG C 31.809 0.000 1 300 359 49 MET N N 120.987 0.033 1 301 360 50 GLN H H 7.959 0.003 1 302 360 50 GLN HA H 4.163 0.000 1 303 360 50 GLN N N 126.261 0.040 1 stop_ save_