data_26574 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism ; _BMRB_accession_number 26574 _BMRB_flat_file_name bmr26574.str _Entry_type original _Submission_date 2015-05-08 _Accession_date 2015-05-08 _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 Xiao Shuyan . . 2 Capelluto Daniel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 "13C chemical shifts" 271 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-22 original BMRB . stop_ _Original_release_date 2015-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26320582 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xiao Shuyan . . 2 Brannon Mary K. . 3 Zhao Xiaolin . . 4 Fread Kristen I. . 5 Ellena Jeffrey F. . 6 Bushweller John H. . 7 Finkielstein Carla V. . 8 Armstrong Geoffrey S. . 9 Capelluto Daniel G.S. . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1910 _Page_last 1920 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GAT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GAT $GAT 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_GAT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GAT _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GPLGSEQIGKLRSELEMVSG NVRVMSEMLTELVPTQAEPA DLELLQELNRTCRAMQQRVL ELIPQIANEQLTEELLIVND NLNNVFLRHERFERFRTGQT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 210 GLY 2 211 PRO 3 212 LEU 4 213 GLY 5 214 SER 6 215 GLU 7 216 GLN 8 217 ILE 9 218 GLY 10 219 LYS 11 220 LEU 12 221 ARG 13 222 SER 14 223 GLU 15 224 LEU 16 225 GLU 17 226 MET 18 227 VAL 19 228 SER 20 229 GLY 21 230 ASN 22 231 VAL 23 232 ARG 24 233 VAL 25 234 MET 26 235 SER 27 236 GLU 28 237 MET 29 238 LEU 30 239 THR 31 240 GLU 32 241 LEU 33 242 VAL 34 243 PRO 35 244 THR 36 245 GLN 37 246 ALA 38 247 GLU 39 248 PRO 40 249 ALA 41 250 ASP 42 251 LEU 43 252 GLU 44 253 LEU 45 254 LEU 46 255 GLN 47 256 GLU 48 257 LEU 49 258 ASN 50 259 ARG 51 260 THR 52 261 CYS 53 262 ARG 54 263 ALA 55 264 MET 56 265 GLN 57 266 GLN 58 267 ARG 59 268 VAL 60 269 LEU 61 270 GLU 62 271 LEU 63 272 ILE 64 273 PRO 65 274 GLN 66 275 ILE 67 276 ALA 68 277 ASN 69 278 GLU 70 279 GLN 71 280 LEU 72 281 THR 73 282 GLU 74 283 GLU 75 284 LEU 76 285 LEU 77 286 ILE 78 287 VAL 79 288 ASN 80 289 ASP 81 290 ASN 82 291 LEU 83 292 ASN 84 293 ASN 85 294 VAL 86 295 PHE 87 296 LEU 88 297 ARG 89 298 HIS 90 299 GLU 91 300 ARG 92 301 PHE 93 302 GLU 94 303 ARG 95 304 PHE 96 305 ARG 97 306 THR 98 307 GLY 99 308 GLN 100 309 THR 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 $GAT 'E. coli' 562 Bacteria . Escherichia coli 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 $GAT 'recombinant technology' . Escherichia coli . PGEX-6P-1 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 $GAT 1.0 mM '[U-99% 13C; U-99% 15N]' 'potassium chloride' 50 mM 'natural abundance' TRIS 20 mM [U-2H] 'sodium azide' 1 mM 'natural abundance' DSS 50 uM 'natural abundance' DTT 1 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task collection 'data analysis' processing 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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_5 _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' 70 . mM pH 7.0 . 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 HNCO' '3D HNCACB' '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 GAT _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 1 215 6 GLU C C 175.987 0.000 . 2 215 6 GLU CB C 26.328 0.000 . 3 216 7 GLN H H 7.994 0.003 . 4 216 7 GLN C C 175.935 0.022 . 5 216 7 GLN CA C 55.925 0.005 . 6 216 7 GLN CB C 26.169 0.015 . 7 216 7 GLN N N 119.442 0.090 . 8 217 8 ILE H H 8.240 0.003 . 9 217 8 ILE C C 175.024 0.019 . 10 217 8 ILE CA C 62.090 0.055 . 11 217 8 ILE CB C 34.788 0.133 . 12 217 8 ILE N N 120.874 0.054 . 13 218 9 GLY H H 8.252 0.002 . 14 218 9 GLY C C 174.173 0.005 . 15 218 9 GLY CA C 44.655 0.064 . 16 218 9 GLY N N 107.490 0.042 . 17 219 10 LYS H H 7.771 0.003 . 18 219 10 LYS C C 176.594 0.002 . 19 219 10 LYS CA C 56.316 0.051 . 20 219 10 LYS CB C 29.650 0.081 . 21 219 10 LYS N N 122.271 0.064 . 22 220 11 LEU H H 7.998 0.002 . 23 220 11 LEU C C 176.346 0.019 . 24 220 11 LEU CA C 55.098 0.030 . 25 220 11 LEU CB C 39.212 0.073 . 26 220 11 LEU N N 121.530 0.036 . 27 221 12 ARG H H 8.700 0.003 . 28 221 12 ARG C C 176.796 0.038 . 29 221 12 ARG CA C 58.320 0.095 . 30 221 12 ARG CB C 26.574 0.145 . 31 221 12 ARG N N 118.545 0.039 . 32 222 13 SER H H 8.013 0.003 . 33 222 13 SER C C 174.580 0.000 . 34 222 13 SER CA C 59.936 0.000 . 35 222 13 SER N N 115.425 0.011 . 36 223 14 GLU H H 8.021 0.004 . 37 223 14 GLU C C 176.775 0.014 . 38 223 14 GLU CA C 57.328 0.021 . 39 223 14 GLU CB C 26.807 0.035 . 40 223 14 GLU N N 124.209 0.025 . 41 224 15 LEU H H 8.602 0.003 . 42 224 15 LEU C C 176.841 0.050 . 43 224 15 LEU CA C 55.252 0.042 . 44 224 15 LEU CB C 38.215 0.051 . 45 224 15 LEU N N 119.415 0.049 . 46 225 16 GLU H H 8.165 0.002 . 47 225 16 GLU C C 177.114 0.024 . 48 225 16 GLU CA C 56.876 0.061 . 49 225 16 GLU CB C 26.786 0.070 . 50 225 16 GLU N N 120.936 0.026 . 51 226 17 MET H H 7.724 0.003 . 52 226 17 MET C C 176.975 0.002 . 53 226 17 MET CA C 55.879 0.010 . 54 226 17 MET CB C 29.121 0.000 . 55 226 17 MET N N 120.569 0.028 . 56 227 18 VAL H H 8.347 0.004 . 57 227 18 VAL C C 175.474 0.000 . 58 227 18 VAL CA C 63.367 0.000 . 59 227 18 VAL CB C 28.937 0.000 . 60 227 18 VAL N N 121.625 0.045 . 61 228 19 SER H H 8.680 0.001 . 62 228 19 SER C C 174.734 0.000 . 63 228 19 SER CA C 59.782 0.051 . 64 228 19 SER N N 116.087 0.036 . 65 229 20 GLY H H 8.226 0.003 . 66 229 20 GLY C C 172.918 0.022 . 67 229 20 GLY CA C 44.724 0.071 . 68 229 20 GLY N N 109.868 0.034 . 69 230 21 ASN H H 7.692 0.004 . 70 230 21 ASN C C 174.433 0.006 . 71 230 21 ASN CA C 53.922 0.159 . 72 230 21 ASN CB C 36.685 0.034 . 73 230 21 ASN N N 121.657 0.043 . 74 231 22 VAL H H 8.388 0.004 . 75 231 22 VAL C C 175.188 0.012 . 76 231 22 VAL CA C 64.086 0.041 . 77 231 22 VAL CB C 28.710 0.041 . 78 231 22 VAL N N 119.928 0.063 . 79 232 23 ARG H H 7.973 0.003 . 80 232 23 ARG C C 175.910 0.026 . 81 232 23 ARG CA C 57.328 0.021 . 82 232 23 ARG CB C 26.985 0.062 . 83 232 23 ARG N N 120.765 0.058 . 84 233 24 VAL H H 7.749 0.005 . 85 233 24 VAL C C 175.966 0.032 . 86 233 24 VAL CA C 64.134 0.151 . 87 233 24 VAL CB C 28.662 0.049 . 88 233 24 VAL N N 119.188 0.023 . 89 234 25 MET H H 8.129 0.004 . 90 234 25 MET C C 174.680 0.006 . 91 234 25 MET CA C 57.641 0.046 . 92 234 25 MET CB C 30.184 0.006 . 93 234 25 MET N N 119.433 0.054 . 94 235 26 SER H H 8.797 0.006 . 95 235 26 SER C C 174.695 0.039 . 96 235 26 SER CA C 59.022 0.067 . 97 235 26 SER CB C 60.426 0.081 . 98 235 26 SER N N 112.490 0.028 . 99 236 27 GLU H H 8.426 0.004 . 100 236 27 GLU C C 176.882 0.012 . 101 236 27 GLU CA C 56.999 0.041 . 102 236 27 GLU CB C 26.645 0.134 . 103 236 27 GLU N N 121.213 0.047 . 104 237 28 MET H H 8.192 0.002 . 105 237 28 MET C C 175.168 0.001 . 106 237 28 MET CA C 57.296 0.022 . 107 237 28 MET CB C 30.780 0.005 . 108 237 28 MET N N 119.780 0.031 . 109 238 29 LEU H H 8.060 0.002 . 110 238 29 LEU C C 175.712 0.019 . 111 238 29 LEU CA C 54.475 0.057 . 112 238 29 LEU CB C 39.216 0.030 . 113 238 29 LEU N N 115.575 0.024 . 114 239 30 THR H H 7.746 0.003 . 115 239 30 THR C C 172.383 0.002 . 116 239 30 THR CA C 62.674 0.118 . 117 239 30 THR CB C 66.669 0.025 . 118 239 30 THR N N 115.128 0.020 . 119 240 31 GLU H H 7.837 0.004 . 120 240 31 GLU C C 175.021 0.011 . 121 240 31 GLU CA C 55.222 0.072 . 122 240 31 GLU CB C 28.642 0.010 . 123 240 31 GLU N N 120.144 0.030 . 124 241 32 LEU H H 8.129 0.003 . 125 241 32 LEU C C 173.793 0.028 . 126 241 32 LEU CA C 52.376 0.084 . 127 241 32 LEU CB C 40.893 0.058 . 128 241 32 LEU N N 119.284 0.028 . 129 242 33 VAL H H 8.665 0.005 . 130 242 33 VAL C C 174.501 0.000 . 131 242 33 VAL CA C 57.327 0.000 . 132 242 33 VAL CB C 29.923 0.000 . 133 242 33 VAL N N 125.498 0.048 . 134 243 34 PRO C C 174.683 0.000 . 135 243 34 PRO CA C 63.614 0.000 . 136 243 34 PRO CB C 29.245 0.000 . 137 244 35 THR H H 7.034 0.003 . 138 244 35 THR C C 172.177 0.000 . 139 244 35 THR CA C 59.921 0.118 . 140 244 35 THR CB C 66.089 0.059 . 141 244 35 THR N N 101.259 0.037 . 142 245 36 GLN H H 7.761 0.006 . 143 245 36 GLN C C 172.768 0.018 . 144 245 36 GLN CA C 52.058 0.022 . 145 245 36 GLN CB C 27.755 0.097 . 146 245 36 GLN N N 118.953 0.029 . 147 246 37 ALA H H 7.410 0.003 . 148 246 37 ALA C C 174.241 0.008 . 149 246 37 ALA CA C 50.024 0.075 . 150 246 37 ALA CB C 16.788 0.034 . 151 246 37 ALA N N 123.787 0.045 . 152 247 38 GLU H H 9.534 0.005 . 153 247 38 GLU C C 173.325 0.000 . 154 247 38 GLU CA C 52.130 0.000 . 155 247 38 GLU CB C 26.430 0.000 . 156 247 38 GLU N N 124.491 0.042 . 157 248 39 PRO CA C 64.112 0.097 . 158 248 39 PRO CB C 29.188 0.026 . 159 249 40 ALA H H 8.820 0.004 . 160 249 40 ALA C C 178.300 0.025 . 161 249 40 ALA CA C 52.811 0.056 . 162 249 40 ALA CB C 15.861 0.030 . 163 249 40 ALA N N 117.976 0.015 . 164 250 41 ASP H H 7.312 0.003 . 165 250 41 ASP C C 175.470 0.014 . 166 250 41 ASP CA C 54.549 0.005 . 167 250 41 ASP CB C 38.876 0.054 . 168 250 41 ASP N N 117.864 0.024 . 169 251 42 LEU H H 7.825 0.005 . 170 251 42 LEU C C 177.342 0.019 . 171 251 42 LEU CA C 54.859 0.027 . 172 251 42 LEU CB C 38.104 0.036 . 173 251 42 LEU N N 118.971 0.046 . 174 252 43 GLU H H 8.411 0.004 . 175 252 43 GLU C C 176.502 0.008 . 176 252 43 GLU CA C 56.653 0.087 . 177 252 43 GLU CB C 26.728 0.042 . 178 252 43 GLU N N 119.988 0.023 . 179 253 44 LEU H H 7.564 0.004 . 180 253 44 LEU C C 176.344 0.006 . 181 253 44 LEU CA C 55.463 0.036 . 182 253 44 LEU CB C 38.812 0.026 . 183 253 44 LEU N N 121.652 0.033 . 184 254 45 LEU H H 8.189 0.004 . 185 254 45 LEU C C 176.179 0.027 . 186 254 45 LEU CA C 55.755 0.052 . 187 254 45 LEU CB C 39.428 0.051 . 188 254 45 LEU N N 119.399 0.025 . 189 255 46 GLN H H 8.183 0.004 . 190 255 46 GLN C C 176.312 0.025 . 191 255 46 GLN CA C 56.084 0.010 . 192 255 46 GLN CB C 25.405 0.058 . 193 255 46 GLN N N 117.404 0.031 . 194 256 47 GLU H H 8.104 0.003 . 195 256 47 GLU C C 176.851 0.002 . 196 256 47 GLU CA C 56.382 0.044 . 197 256 47 GLU CB C 26.499 0.079 . 198 256 47 GLU N N 122.146 0.039 . 199 257 48 LEU H H 8.758 0.003 . 200 257 48 LEU C C 176.521 0.000 . 201 257 48 LEU CA C 55.422 0.015 . 202 257 48 LEU CB C 39.130 0.056 . 203 257 48 LEU N N 122.164 0.065 . 204 258 49 ASN H H 8.688 0.004 . 205 258 49 ASN C C 173.798 0.024 . 206 258 49 ASN CA C 55.589 0.038 . 207 258 49 ASN CB C 36.283 0.020 . 208 258 49 ASN N N 119.326 0.044 . 209 259 50 ARG H H 8.170 0.003 . 210 259 50 ARG C C 177.668 0.024 . 211 259 50 ARG CA C 57.652 0.032 . 212 259 50 ARG CB C 27.612 0.015 . 213 259 50 ARG N N 118.009 0.029 . 214 260 51 THR H H 8.645 0.003 . 215 260 51 THR C C 174.652 0.000 . 216 260 51 THR CA C 64.030 0.077 . 217 260 51 THR CB C 66.186 0.006 . 218 260 51 THR N N 117.595 0.044 . 219 261 52 CYS H H 9.006 0.004 . 220 261 52 CYS C C 174.685 0.029 . 221 261 52 CYS CA C 62.828 0.067 . 222 261 52 CYS CB C 24.104 0.108 . 223 261 52 CYS N N 120.803 0.025 . 224 262 53 ARG H H 9.063 0.005 . 225 262 53 ARG C C 176.743 0.014 . 226 262 53 ARG CA C 56.577 0.095 . 227 262 53 ARG CB C 26.660 0.076 . 228 262 53 ARG N N 122.263 0.055 . 229 263 54 ALA H H 7.757 0.004 . 230 263 54 ALA C C 178.752 0.009 . 231 263 54 ALA CA C 52.661 0.049 . 232 263 54 ALA CB C 14.900 0.005 . 233 263 54 ALA N N 123.223 0.026 . 234 264 55 MET H H 8.322 0.002 . 235 264 55 MET C C 175.496 0.022 . 236 264 55 MET CA C 55.756 0.000 . 237 264 55 MET CB C 29.270 0.016 . 238 264 55 MET N N 118.949 0.019 . 239 265 56 GLN H H 8.770 0.003 . 240 265 56 GLN C C 174.233 0.008 . 241 265 56 GLN CA C 57.084 0.087 . 242 265 56 GLN CB C 25.991 0.097 . 243 265 56 GLN N N 119.930 0.054 . 244 266 57 GLN H H 7.617 0.004 . 245 266 57 GLN C C 175.495 0.002 . 246 266 57 GLN CA C 56.428 0.005 . 247 266 57 GLN CB C 25.297 0.041 . 248 266 57 GLN N N 116.626 0.064 . 249 267 58 ARG H H 7.296 0.003 . 250 267 58 ARG C C 175.490 0.038 . 251 267 58 ARG CA C 56.090 0.087 . 252 267 58 ARG CB C 27.032 0.015 . 253 267 58 ARG N N 119.066 0.040 . 254 268 59 VAL H H 8.326 0.005 . 255 268 59 VAL C C 174.900 0.019 . 256 268 59 VAL CA C 64.779 0.046 . 257 268 59 VAL CB C 29.003 0.036 . 258 268 59 VAL N N 119.424 0.060 . 259 269 60 LEU H H 8.404 0.003 . 260 269 60 LEU C C 177.509 0.009 . 261 269 60 LEU CA C 55.186 0.128 . 262 269 60 LEU CB C 38.895 0.046 . 263 269 60 LEU N N 117.138 0.036 . 264 270 61 GLU H H 7.721 0.004 . 265 270 61 GLU C C 176.145 0.005 . 266 270 61 GLU CA C 55.561 0.017 . 267 270 61 GLU CB C 27.088 0.084 . 268 270 61 GLU N N 118.156 0.049 . 269 271 62 LEU H H 7.856 0.003 . 270 271 62 LEU C C 176.007 0.011 . 271 271 62 LEU CA C 54.373 0.070 . 272 271 62 LEU CB C 41.150 0.020 . 273 271 62 LEU N N 119.743 0.066 . 274 272 63 ILE H H 7.676 0.003 . 275 272 63 ILE C C 172.745 0.000 . 276 272 63 ILE CA C 65.791 0.000 . 277 272 63 ILE CB C 34.072 0.000 . 278 272 63 ILE N N 118.101 0.029 . 279 273 64 PRO C C 174.823 0.037 . 280 273 64 PRO CA C 62.052 0.021 . 281 273 64 PRO CB C 28.793 0.000 . 282 274 65 GLN H H 7.720 0.002 . 283 274 65 GLN C C 173.497 0.006 . 284 274 65 GLN CA C 53.460 0.046 . 285 274 65 GLN CB C 27.668 0.057 . 286 274 65 GLN N N 114.279 0.030 . 287 275 66 ILE H H 7.431 0.004 . 288 275 66 ILE C C 172.139 0.000 . 289 275 66 ILE CA C 57.615 0.000 . 290 275 66 ILE CB C 35.551 0.000 . 291 275 66 ILE N N 119.498 0.058 . 292 278 69 GLU C C 175.376 0.000 . 293 278 69 GLU CA C 57.184 0.000 . 294 278 69 GLU CB C 26.574 0.000 . 295 279 70 GLN H H 8.168 0.010 . 296 279 70 GLN C C 175.825 0.001 . 297 279 70 GLN CA C 56.629 0.000 . 298 279 70 GLN CB C 25.362 0.000 . 299 279 70 GLN N N 119.960 0.053 . 300 280 71 LEU H H 8.319 0.003 . 301 280 71 LEU C C 175.825 0.019 . 302 280 71 LEU CA C 54.323 0.015 . 303 280 71 LEU CB C 39.337 0.047 . 304 280 71 LEU N N 120.096 0.045 . 305 281 72 THR H H 8.223 0.001 . 306 281 72 THR C C 172.926 0.000 . 307 281 72 THR CA C 65.725 0.057 . 308 281 72 THR N N 115.980 0.041 . 309 282 73 GLU H H 7.688 0.002 . 310 282 73 GLU C C 176.231 0.004 . 311 282 73 GLU CA C 57.286 0.031 . 312 282 73 GLU CB C 26.739 0.092 . 313 282 73 GLU N N 119.682 0.048 . 314 283 74 GLU H H 7.750 0.003 . 315 283 74 GLU C C 176.869 0.026 . 316 283 74 GLU CA C 57.160 0.048 . 317 283 74 GLU CB C 26.920 0.005 . 318 283 74 GLU N N 118.395 0.025 . 319 284 75 LEU H H 8.510 0.004 . 320 284 75 LEU C C 175.931 0.038 . 321 284 75 LEU CA C 55.760 0.049 . 322 284 75 LEU CB C 39.373 0.023 . 323 284 75 LEU N N 120.267 0.026 . 324 285 76 LEU H H 8.248 0.005 . 325 285 76 LEU C C 177.743 0.006 . 326 285 76 LEU CA C 55.633 0.063 . 327 285 76 LEU CB C 38.443 0.026 . 328 285 76 LEU N N 119.396 0.057 . 329 286 77 ILE H H 7.843 0.003 . 330 286 77 ILE C C 175.912 0.014 . 331 286 77 ILE CA C 62.309 0.072 . 332 286 77 ILE CB C 35.517 0.035 . 333 286 77 ILE N N 121.597 0.028 . 334 287 78 VAL H H 7.950 0.002 . 335 287 78 VAL C C 175.609 0.012 . 336 287 78 VAL CA C 64.204 0.036 . 337 287 78 VAL CB C 28.489 0.026 . 338 287 78 VAL N N 120.706 0.041 . 339 288 79 ASN H H 8.612 0.004 . 340 288 79 ASN C C 174.212 0.012 . 341 288 79 ASN CA C 54.837 0.056 . 342 288 79 ASN CB C 36.431 0.065 . 343 288 79 ASN N N 118.096 0.034 . 344 289 80 ASP H H 8.146 0.003 . 345 289 80 ASP C C 176.189 0.024 . 346 289 80 ASP CA C 54.877 0.016 . 347 289 80 ASP CB C 37.852 0.039 . 348 289 80 ASP N N 119.540 0.028 . 349 290 81 ASN H H 8.454 0.003 . 350 290 81 ASN C C 176.214 0.002 . 351 290 81 ASN CA C 53.265 0.036 . 352 290 81 ASN CB C 34.980 0.067 . 353 290 81 ASN N N 120.056 0.053 . 354 291 82 LEU H H 8.645 0.003 . 355 291 82 LEU C C 173.354 0.024 . 356 291 82 LEU CA C 55.027 0.015 . 357 291 82 LEU CB C 38.359 0.072 . 358 291 82 LEU N N 123.160 0.049 . 359 292 83 ASN H H 8.261 0.004 . 360 292 83 ASN C C 176.222 0.012 . 361 292 83 ASN CA C 53.686 0.036 . 362 292 83 ASN CB C 34.884 0.022 . 363 292 83 ASN N N 116.001 0.029 . 364 293 84 ASN H H 8.221 0.003 . 365 293 84 ASN C C 175.229 0.009 . 366 293 84 ASN CA C 54.292 0.015 . 367 293 84 ASN CB C 36.267 0.040 . 368 293 84 ASN N N 117.564 0.057 . 369 294 85 VAL H H 7.912 0.005 . 370 294 85 VAL C C 175.599 0.023 . 371 294 85 VAL CA C 63.541 0.093 . 372 294 85 VAL CB C 28.489 0.129 . 373 294 85 VAL N N 120.648 0.048 . 374 295 86 PHE H H 8.229 0.002 . 375 295 86 PHE C C 177.191 0.007 . 376 295 86 PHE CA C 56.337 0.097 . 377 295 86 PHE CB C 34.263 0.066 . 378 295 86 PHE N N 122.208 0.045 . 379 296 87 LEU H H 8.048 0.004 . 380 296 87 LEU C C 177.712 0.004 . 381 296 87 LEU CA C 55.900 0.051 . 382 296 87 LEU CB C 39.254 0.036 . 383 296 87 LEU N N 122.231 0.043 . 384 297 88 ARG H H 7.997 0.003 . 385 297 88 ARG C C 177.099 0.009 . 386 297 88 ARG CA C 57.148 0.005 . 387 297 88 ARG CB C 28.396 0.027 . 388 297 88 ARG N N 119.503 0.068 . 389 298 89 HIS H H 9.081 0.003 . 390 298 89 HIS C C 173.996 0.009 . 391 298 89 HIS CA C 57.138 0.066 . 392 298 89 HIS CB C 28.587 0.000 . 393 298 89 HIS N N 123.503 0.023 . 394 299 90 GLU H H 8.502 0.003 . 395 299 90 GLU C C 176.859 0.005 . 396 299 90 GLU CA C 57.255 0.052 . 397 299 90 GLU CB C 26.697 0.103 . 398 299 90 GLU N N 120.616 0.044 . 399 300 91 ARG H H 7.832 0.003 . 400 300 91 ARG C C 174.818 0.009 . 401 300 91 ARG CA C 57.142 0.103 . 402 300 91 ARG CB C 27.365 0.010 . 403 300 91 ARG N N 118.974 0.017 . 404 301 92 PHE H H 8.123 0.002 . 405 301 92 PHE C C 174.613 0.042 . 406 301 92 PHE CA C 58.986 0.005 . 407 301 92 PHE CB C 37.539 0.077 . 408 301 92 PHE N N 121.767 0.042 . 409 302 93 GLU H H 8.582 0.002 . 410 302 93 GLU C C 177.164 0.006 . 411 302 93 GLU CA C 55.853 0.026 . 412 302 93 GLU CB C 27.565 0.046 . 413 302 93 GLU N N 118.486 0.037 . 414 303 94 ARG H H 8.083 0.004 . 415 303 94 ARG C C 176.500 0.024 . 416 303 94 ARG CA C 57.081 0.113 . 417 303 94 ARG CB C 27.170 0.113 . 418 303 94 ARG N N 120.996 0.008 . 419 304 95 PHE H H 8.091 0.003 . 420 304 95 PHE C C 176.014 0.003 . 421 304 95 PHE CA C 57.188 0.057 . 422 304 95 PHE CB C 36.009 0.036 . 423 304 95 PHE N N 118.678 0.049 . 424 305 96 ARG H H 8.408 0.003 . 425 305 96 ARG C C 174.810 0.023 . 426 305 96 ARG CA C 56.711 0.065 . 427 305 96 ARG CB C 28.325 0.012 . 428 305 96 ARG N N 119.643 0.036 . 429 306 97 THR H H 7.848 0.003 . 430 306 97 THR C C 173.046 0.025 . 431 306 97 THR CA C 59.536 0.146 . 432 306 97 THR CB C 67.438 0.005 . 433 306 97 THR N N 106.888 0.034 . 434 307 98 GLY H H 7.803 0.002 . 435 307 98 GLY C C 171.615 0.008 . 436 307 98 GLY CA C 43.396 0.092 . 437 307 98 GLY N N 110.495 0.026 . 438 308 99 GLN H H 8.107 0.003 . 439 308 99 GLN C C 172.545 0.016 . 440 308 99 GLN CA C 53.003 0.055 . 441 308 99 GLN CB C 26.934 0.082 . 442 308 99 GLN N N 120.080 0.046 . 443 309 100 THR H H 7.772 0.003 . 444 309 100 THR C C 176.586 0.000 . 445 309 100 THR CA C 60.614 0.000 . 446 309 100 THR CB C 68.030 0.000 . 447 309 100 THR N N 119.808 0.048 . stop_ save_