data_27272 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of SGTA C-terminal domain ; _BMRB_accession_number 27272 _BMRB_flat_file_name bmr27272.str _Entry_type original _Submission_date 2017-10-04 _Accession_date 2017-10-04 _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 'Martinez Lumbreras' Santiago . . 2 Isaacson Rivka L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 58 "13C chemical shifts" 173 "15N chemical shifts" 53 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-16 update BMRB 'update entry citation' 2018-06-19 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27275 'SGTA TPR_C-terminal(deltaQ) domains' 27276 'SGTA N-terminal domain including linker residues' stop_ _Original_release_date 2017-10-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural complexity of the co-chaperone SGTA: a conserved C-terminal region is implicated in dimerization and substrate quality control ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29996828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinez-Lumbreras Santiago . . 2 Krysztofinska Ewelina M. . 3 Thapaliya Arjun . . 4 Spilotros Alessandro . . 5 Matak-Vinkovic Dijana . . 6 Salvadori Enrico . . 7 Roboti Peristera . . 8 Nyathi Yvonne . . 9 Muench Janina H. . 10 Roessler Maxie M. . 11 Svergun Dmitri I. . 12 High Stephen . . 13 Isaacson Rivka L. . stop_ _Journal_abbreviation 'BMC Biol.' _Journal_name_full 'BMC biology' _Journal_volume 16 _Journal_issue 1 _Journal_ISSN 1741-7007 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 76 _Page_last 76 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SGTA_Cter _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SGTA_Cter $SGTA_Cter 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_SGTA_Cter _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SGTA_Cter _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; GSTGGVGSFDIAGLLNNPGF MSMASNLMNNPQIQQLMSGM ISGGNNPLGTPGTSPSQNDL ASLIQAGQQFAQQMQQQNPE LIEQLRSQIRSRTPSASNDD QQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 211 GLY 2 212 SER 3 213 THR 4 214 GLY 5 215 GLY 6 216 VAL 7 217 GLY 8 218 SER 9 219 PHE 10 220 ASP 11 221 ILE 12 222 ALA 13 223 GLY 14 224 LEU 15 225 LEU 16 226 ASN 17 227 ASN 18 228 PRO 19 229 GLY 20 230 PHE 21 231 MET 22 232 SER 23 233 MET 24 234 ALA 25 235 SER 26 236 ASN 27 237 LEU 28 238 MET 29 239 ASN 30 240 ASN 31 241 PRO 32 242 GLN 33 243 ILE 34 244 GLN 35 245 GLN 36 246 LEU 37 247 MET 38 248 SER 39 249 GLY 40 250 MET 41 251 ILE 42 252 SER 43 253 GLY 44 254 GLY 45 255 ASN 46 256 ASN 47 257 PRO 48 258 LEU 49 259 GLY 50 260 THR 51 261 PRO 52 262 GLY 53 263 THR 54 264 SER 55 265 PRO 56 266 SER 57 267 GLN 58 268 ASN 59 269 ASP 60 270 LEU 61 271 ALA 62 272 SER 63 273 LEU 64 274 ILE 65 275 GLN 66 276 ALA 67 277 GLY 68 278 GLN 69 279 GLN 70 280 PHE 71 281 ALA 72 282 GLN 73 283 GLN 74 284 MET 75 285 GLN 76 286 GLN 77 287 GLN 78 288 ASN 79 289 PRO 80 290 GLU 81 291 LEU 82 292 ILE 83 293 GLU 84 294 GLN 85 295 LEU 86 296 ARG 87 297 SER 88 298 GLN 89 299 ILE 90 300 ARG 91 301 SER 92 302 ARG 93 303 THR 94 304 PRO 95 305 SER 96 306 ALA 97 307 SER 98 308 ASN 99 309 ASP 100 310 ASP 101 311 GLN 102 312 GLN 103 313 GLU 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 $SGTA_Cter 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 $SGTA_Cter 'recombinant technology' . Escherichia coli . pET28_Txr_6xH_TEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Cter_CND _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SGTA_Cter 300 uM '[U-13C; U-15N; U-2H]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 250 uM 'natural abundance' DDM 0.025 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ 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_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . 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 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Cter_CND save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Cter_CND save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Cter_CND save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Cter_CND save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $Cter_CND 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' 130 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 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 HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $Cter_CND stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SGTA_Cter _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 1 212 2 SER C C 174.867 0.000 1 2 212 2 SER CA C 57.986 0.016 1 3 212 2 SER CB C 63.788 0.017 1 4 213 3 THR H H 8.290 0.004 1 5 213 3 THR HG2 H 1.191 0.001 1 6 213 3 THR C C 175.072 0.020 1 7 213 3 THR CA C 61.516 0.023 1 8 213 3 THR CB C 69.269 0.042 1 9 213 3 THR CG2 C 20.952 0.013 1 10 213 3 THR N N 115.470 0.028 1 11 214 4 GLY H H 8.367 0.005 1 12 214 4 GLY C C 174.424 0.018 1 13 214 4 GLY CA C 44.921 0.020 1 14 214 4 GLY N N 110.869 0.036 1 15 215 5 GLY H H 8.209 0.005 1 16 215 5 GLY C C 174.354 0.021 1 17 215 5 GLY CA C 44.709 0.054 1 18 215 5 GLY N N 108.589 0.009 1 19 216 6 VAL H H 8.135 0.003 1 20 216 6 VAL HG1 H 0.938 0.000 2 21 216 6 VAL HG2 H 0.939 0.001 2 22 216 6 VAL C C 176.614 0.011 1 23 216 6 VAL CA C 62.210 0.041 1 24 216 6 VAL CB C 31.655 0.012 1 25 216 6 VAL CG1 C 20.593 0.039 2 26 216 6 VAL CG2 C 20.050 0.008 2 27 216 6 VAL N N 119.181 0.030 1 28 217 7 GLY H H 8.432 0.006 1 29 217 7 GLY C C 173.900 0.018 1 30 217 7 GLY CA C 45.005 0.031 1 31 217 7 GLY N N 111.577 0.018 1 32 218 8 SER H H 7.973 0.006 1 33 218 8 SER C C 173.825 0.010 1 34 218 8 SER CA C 57.954 0.020 1 35 218 8 SER CB C 63.898 0.041 1 36 218 8 SER N N 115.024 0.018 1 37 219 9 PHE H H 8.217 0.016 1 38 219 9 PHE C C 174.190 0.015 1 39 219 9 PHE CA C 57.351 0.039 1 40 219 9 PHE CB C 39.331 0.051 1 41 219 9 PHE N N 121.844 0.017 1 42 220 10 ASP H H 7.980 0.003 1 43 220 10 ASP C C 176.108 0.011 1 44 220 10 ASP CA C 52.510 0.064 1 45 220 10 ASP CB C 40.499 0.012 1 46 220 10 ASP N N 124.052 0.033 1 47 221 11 ILE H H 8.253 0.006 1 48 221 11 ILE C C 176.399 0.020 1 49 221 11 ILE CA C 62.650 0.082 1 50 221 11 ILE CB C 37.045 0.048 1 51 221 11 ILE N N 123.984 0.062 1 52 222 12 ALA H H 8.208 0.007 1 53 222 12 ALA HB H 1.579 0.007 1 54 222 12 ALA C C 179.811 0.014 1 55 222 12 ALA CA C 54.631 0.051 1 56 222 12 ALA CB C 17.422 0.141 1 57 222 12 ALA N N 122.498 0.016 1 58 223 13 GLY H H 7.909 0.004 1 59 223 13 GLY C C 176.373 0.005 1 60 223 13 GLY CA C 46.223 0.070 1 61 223 13 GLY N N 104.662 0.024 1 62 224 14 LEU H H 7.481 0.011 1 63 224 14 LEU C C 177.740 0.008 1 64 224 14 LEU CA C 56.880 0.092 1 65 224 14 LEU CB C 40.402 0.053 1 66 224 14 LEU N N 121.337 0.038 1 67 225 15 LEU H H 7.467 0.007 1 68 225 15 LEU C C 176.927 0.017 1 69 225 15 LEU CA C 55.815 0.068 1 70 225 15 LEU CB C 40.449 0.000 1 71 225 15 LEU N N 114.249 0.070 1 72 226 16 ASN H H 7.433 0.004 1 73 226 16 ASN C C 174.289 0.015 1 74 226 16 ASN CA C 52.136 0.047 1 75 226 16 ASN CB C 38.677 0.004 1 76 226 16 ASN N N 113.348 0.067 1 77 227 17 ASN H H 7.655 0.007 1 78 227 17 ASN C C 173.755 0.000 1 79 227 17 ASN CA C 51.084 0.035 1 80 227 17 ASN CB C 39.274 0.000 1 81 227 17 ASN N N 121.322 0.058 1 82 228 18 PRO C C 179.168 0.011 1 83 228 18 PRO CA C 64.625 0.135 1 84 228 18 PRO CB C 31.068 0.000 1 85 229 19 GLY H H 8.349 0.005 1 86 229 19 GLY C C 176.175 0.007 1 87 229 19 GLY CA C 46.558 0.086 1 88 229 19 GLY N N 107.574 0.037 1 89 230 20 PHE H H 8.092 0.011 1 90 230 20 PHE C C 176.966 0.012 1 91 230 20 PHE CA C 60.980 0.031 1 92 230 20 PHE CB C 38.397 0.195 1 93 230 20 PHE N N 122.916 0.050 1 94 231 21 MET H H 8.377 0.005 1 95 231 21 MET C C 179.419 0.021 1 96 231 21 MET CA C 57.356 0.039 1 97 231 21 MET CB C 30.661 0.024 1 98 231 21 MET N N 116.666 0.088 1 99 232 22 SER H H 8.216 0.003 1 100 232 22 SER CA C 61.042 0.058 1 101 232 22 SER CB C 62.292 0.000 1 102 232 22 SER N N 115.260 0.035 1 103 247 37 MET C C 177.996 0.000 1 104 247 37 MET CA C 57.265 0.000 1 105 248 38 SER H H 8.105 0.004 1 106 248 38 SER C C 176.836 0.000 1 107 248 38 SER CA C 60.810 0.066 1 108 248 38 SER CB C 62.791 0.000 1 109 248 38 SER N N 113.613 0.031 1 110 249 39 GLY H H 8.038 0.006 1 111 249 39 GLY C C 175.308 0.016 1 112 249 39 GLY CA C 45.970 0.044 1 113 249 39 GLY N N 108.497 0.022 1 114 250 40 MET H H 7.792 0.004 1 115 250 40 MET C C 176.743 0.009 1 116 250 40 MET CA C 56.885 0.030 1 117 250 40 MET CB C 32.777 0.052 1 118 250 40 MET N N 118.777 0.012 1 119 251 41 ILE H H 7.706 0.006 1 120 251 41 ILE C C 176.391 0.009 1 121 251 41 ILE CA C 61.377 0.089 1 122 251 41 ILE CB C 37.600 0.003 1 123 251 41 ILE N N 115.531 0.045 1 124 252 42 SER H H 8.014 0.009 1 125 252 42 SER C C 175.375 0.043 1 126 252 42 SER CA C 58.547 0.039 1 127 252 42 SER CB C 63.873 0.042 1 128 252 42 SER N N 116.134 0.080 1 129 253 43 GLY H H 8.164 0.007 1 130 253 43 GLY C C 174.749 0.009 1 131 253 43 GLY CA C 45.212 0.020 1 132 253 43 GLY N N 110.134 0.022 1 133 254 44 GLY H H 8.192 0.004 1 134 254 44 GLY C C 173.826 0.009 1 135 254 44 GLY CA C 45.051 0.039 1 136 254 44 GLY N N 108.104 0.050 1 137 255 45 ASN H H 8.181 0.007 1 138 255 45 ASN C C 174.407 0.014 1 139 255 45 ASN CA C 52.824 0.033 1 140 255 45 ASN CB C 38.599 0.010 1 141 255 45 ASN N N 117.992 0.012 1 142 256 46 ASN H H 8.306 0.011 1 143 256 46 ASN C C 173.748 0.000 1 144 256 46 ASN CA C 51.017 0.007 1 145 256 46 ASN CB C 38.316 0.000 1 146 256 46 ASN N N 119.224 0.091 1 147 257 47 PRO C C 176.970 0.022 1 148 257 47 PRO CA C 63.325 0.000 1 149 257 47 PRO CB C 31.152 0.000 1 150 258 48 LEU H H 8.156 0.005 1 151 258 48 LEU C C 177.698 0.016 1 152 258 48 LEU CA C 54.603 0.021 1 153 258 48 LEU CB C 40.914 0.015 1 154 258 48 LEU N N 119.308 0.025 1 155 259 49 GLY H H 7.984 0.005 1 156 259 49 GLY C C 173.816 0.010 1 157 259 49 GLY CA C 44.702 0.022 1 158 259 49 GLY N N 108.097 0.022 1 159 260 50 THR H H 7.931 0.004 1 160 260 50 THR C C 172.970 0.000 1 161 260 50 THR CA C 59.356 0.000 1 162 260 50 THR CB C 69.230 0.000 1 163 260 50 THR N N 115.815 0.005 1 164 261 51 PRO C C 177.488 0.000 1 165 261 51 PRO CA C 63.309 0.010 1 166 261 51 PRO CB C 31.120 0.009 1 167 262 52 GLY H H 8.456 0.005 1 168 262 52 GLY C C 174.343 0.031 1 169 262 52 GLY CA C 44.843 0.066 1 170 262 52 GLY N N 109.263 0.013 1 171 263 53 THR H H 7.897 0.004 1 172 263 53 THR C C 174.336 0.024 1 173 263 53 THR CA C 61.131 0.040 1 174 263 53 THR CB C 69.672 0.043 1 175 263 53 THR N N 112.585 0.008 1 176 264 54 SER H H 8.278 0.004 1 177 264 54 SER C C 172.747 0.000 1 178 264 54 SER CA C 56.211 0.000 1 179 264 54 SER CB C 63.311 0.000 1 180 264 54 SER N N 118.821 0.028 1 181 265 55 PRO C C 176.844 0.013 1 182 265 55 PRO CA C 62.814 0.085 1 183 265 55 PRO CB C 31.140 0.022 1 184 266 56 SER H H 8.448 0.004 1 185 266 56 SER C C 174.832 0.027 1 186 266 56 SER CA C 57.991 0.014 1 187 266 56 SER CB C 64.032 0.069 1 188 266 56 SER N N 115.673 0.034 1 189 267 57 GLN H H 8.385 0.007 1 190 267 57 GLN C C 176.177 0.017 1 191 267 57 GLN CA C 56.356 0.007 1 192 267 57 GLN CB C 28.154 0.080 1 193 267 57 GLN N N 121.378 0.036 1 194 268 58 ASN H H 8.292 0.005 1 195 268 58 ASN C C 175.464 0.008 1 196 268 58 ASN CA C 53.305 0.059 1 197 268 58 ASN CB C 38.154 0.034 1 198 268 58 ASN N N 118.744 0.018 1 199 269 59 ASP H H 8.177 0.007 1 200 269 59 ASP C C 177.434 0.000 1 201 269 59 ASP CA C 55.339 0.000 1 202 269 59 ASP CB C 40.490 0.000 1 203 269 59 ASP N N 120.720 0.062 1 204 276 66 ALA C C 181.111 0.000 1 205 277 67 GLY H H 8.651 0.003 1 206 277 67 GLY C C 174.698 0.043 1 207 277 67 GLY CA C 47.209 0.110 1 208 277 67 GLY N N 106.773 0.021 1 209 278 68 GLN H H 8.660 0.003 1 210 278 68 GLN C C 178.827 0.000 1 211 278 68 GLN CA C 59.073 0.000 1 212 278 68 GLN N N 121.512 0.021 1 213 299 89 ILE C C 176.736 0.000 1 214 300 90 ARG H H 7.917 0.003 1 215 300 90 ARG C C 176.902 0.007 1 216 300 90 ARG CA C 56.420 0.087 1 217 300 90 ARG CB C 29.758 0.030 1 218 300 90 ARG N N 121.414 0.044 1 219 301 91 SER H H 8.087 0.006 1 220 301 91 SER C C 174.545 0.012 1 221 301 91 SER CA C 58.685 0.024 1 222 301 91 SER CB C 63.431 0.011 1 223 301 91 SER N N 115.450 0.030 1 224 302 92 ARG H H 8.043 0.006 1 225 302 92 ARG C C 176.003 0.015 1 226 302 92 ARG CA C 55.289 0.056 1 227 302 92 ARG CB C 29.914 0.029 1 228 302 92 ARG N N 121.745 0.038 1 229 303 93 THR H H 8.022 0.005 1 230 303 93 THR C C 172.792 0.000 1 231 303 93 THR CA C 59.654 0.000 1 232 303 93 THR CB C 69.230 0.000 1 233 303 93 THR N N 117.395 0.024 1 234 304 94 PRO C C 176.942 0.013 1 235 304 94 PRO CA C 62.754 0.000 1 236 304 94 PRO CB C 31.214 0.097 1 237 305 95 SER H H 8.337 0.005 1 238 305 95 SER C C 174.274 0.017 1 239 305 95 SER CA C 57.930 0.016 1 240 305 95 SER CB C 63.714 0.074 1 241 305 95 SER N N 116.046 0.024 1 242 306 96 ALA H H 8.324 0.005 1 243 306 96 ALA HB H 1.392 0.002 1 244 306 96 ALA C C 177.673 0.004 1 245 306 96 ALA CA C 52.178 0.026 1 246 306 96 ALA CB C 18.770 0.153 1 247 306 96 ALA N N 125.969 0.015 1 248 307 97 SER H H 8.229 0.004 1 249 307 97 SER C C 174.310 0.020 1 250 307 97 SER CA C 57.862 0.045 1 251 307 97 SER CB C 63.678 0.016 1 252 307 97 SER N N 114.650 0.017 1 253 308 98 ASN H H 8.386 0.004 1 254 308 98 ASN C C 174.971 0.006 1 255 308 98 ASN CA C 53.049 0.027 1 256 308 98 ASN CB C 38.486 0.043 1 257 308 98 ASN N N 120.442 0.018 1 258 309 99 ASP H H 8.227 0.004 1 259 309 99 ASP C C 175.939 0.005 1 260 309 99 ASP CA C 54.281 0.059 1 261 309 99 ASP CB C 40.490 0.012 1 262 309 99 ASP N N 120.274 0.020 1 263 310 100 ASP H H 8.184 0.005 1 264 310 100 ASP C C 176.165 0.022 1 265 310 100 ASP CA C 54.135 0.027 1 266 310 100 ASP CB C 40.417 0.008 1 267 310 100 ASP N N 119.963 0.004 1 268 311 101 GLN H H 8.159 0.004 1 269 311 101 GLN C C 175.734 0.015 1 270 311 101 GLN CA C 55.278 0.071 1 271 311 101 GLN CB C 28.447 0.065 1 272 311 101 GLN CG C 33.211 0.000 1 273 311 101 GLN N N 119.727 0.023 1 274 312 102 GLN H H 8.278 0.005 1 275 312 102 GLN C C 175.092 0.009 1 276 312 102 GLN CA C 55.321 0.051 1 277 312 102 GLN CB C 28.804 0.058 1 278 312 102 GLN CG C 33.201 0.000 1 279 312 102 GLN N N 121.713 0.025 1 280 313 103 GLU H H 8.036 0.005 1 281 313 103 GLU C C 181.080 0.000 1 282 313 103 GLU CA C 57.593 0.063 1 283 313 103 GLU CB C 29.948 0.000 1 284 313 103 GLU N N 127.357 0.050 1 stop_ save_