data_25602 ####################### # 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 25602 _BMRB_flat_file_name bmr25602.str _Entry_type original _Submission_date 2015-05-11 _Accession_date 2015-05-11 _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 Xiao Shuyan . . 2 Armstrong Geoffrey . . 3 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" 87 "13C chemical shifts" 263 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-24 update BMRB 'update entry citation' 2015-09-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26574 'GAT apo state' stop_ _Original_release_date 2015-09-14 save_ ############################# # Citation for this entry # ############################# save_citations _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 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 11089.725 _Mol_thiol_state . _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 $entity '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 $entity '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity 0.9 mM 0.8 1.0 '[U-99% 13C; U-99% 15N]' 'Tollip TBD' 1.1 mM 1.0 1.2 'natural abundance' DSS 50 uM . . 'natural abundance' 'potassium chloride' 50 mM . . 'natural abundance' TRIS 20 mM . . [U-2H] 'sodium azide' 1 mM . . 'natural abundance' DTT 1 mM . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_ROSETTA _Saveframe_category software _Name ROSETTA _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 'Bruker Biospin' . . 'Cornilescu, Delaglio and Bax' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . ROSETTA . . stop_ loop_ _Task collection 'data analysis' processing 'structure solution' validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Agilent DD2' _Field_strength 900 _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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_1H-_15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H- 15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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' 70 . mM pH 7.0 . pH pressure 1 . Pa 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 HNCO' '3D HCACO' '3D HNCACB' 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 1 215 6 GLU H H 9.297 0.003 . 2 215 6 GLU C C 176.162 0.022 . 3 215 6 GLU CA C 56.302 0.015 . 4 215 6 GLU CB C 25.368 0.103 . 5 215 6 GLU N N 123.057 0.054 . 6 216 7 GLN H H 7.722 0.004 . 7 216 7 GLN C C 175.884 0.052 . 8 216 7 GLN CA C 55.654 0.000 . 9 216 7 GLN CB C 26.543 0.000 . 10 216 7 GLN N N 120.132 0.112 . 11 217 8 ILE H H 8.234 0.006 . 12 217 8 ILE C C 174.288 0.009 . 13 217 8 ILE CA C 62.109 0.035 . 14 217 8 ILE CB C 34.606 0.034 . 15 217 8 ILE N N 120.618 0.096 . 16 218 9 GLY H H 8.290 0.011 . 17 218 9 GLY C C 174.294 0.000 . 18 218 9 GLY CA C 44.102 0.063 . 19 218 9 GLY N N 106.818 0.083 . 20 219 10 LYS H H 7.673 0.003 . 21 219 10 LYS C C 175.103 0.022 . 22 219 10 LYS CA C 56.597 0.004 . 23 219 10 LYS CB C 30.212 0.088 . 24 219 10 LYS N N 124.168 0.095 . 25 220 11 LEU H H 7.737 0.006 . 26 220 11 LEU C C 176.105 0.020 . 27 220 11 LEU CA C 54.509 0.092 . 28 220 11 LEU CB C 38.992 0.078 . 29 220 11 LEU N N 118.471 0.061 . 30 221 12 ARG H H 8.749 0.005 . 31 221 12 ARG C C 176.196 0.008 . 32 221 12 ARG CA C 57.792 0.036 . 33 221 12 ARG CB C 26.422 0.073 . 34 221 12 ARG N N 117.401 0.070 . 35 222 13 SER H H 8.074 0.006 . 36 222 13 SER C C 174.082 0.029 . 37 222 13 SER CA C 58.582 0.070 . 38 222 13 SER CB C 59.867 0.032 . 39 222 13 SER N N 116.621 0.108 . 40 223 14 GLU H H 7.933 0.006 . 41 223 14 GLU C C 176.329 0.017 . 42 223 14 GLU CA C 56.112 0.068 . 43 223 14 GLU CB C 24.713 0.047 . 44 223 14 GLU N N 124.129 0.057 . 45 224 15 LEU H H 8.896 0.009 . 46 224 15 LEU C C 176.161 0.006 . 47 224 15 LEU CA C 54.763 0.071 . 48 224 15 LEU CB C 38.424 0.000 . 49 224 15 LEU N N 121.246 0.099 . 50 225 16 GLU H H 7.945 0.009 . 51 225 16 GLU C C 176.838 0.026 . 52 225 16 GLU CA C 56.181 0.045 . 53 225 16 GLU CB C 25.904 0.071 . 54 225 16 GLU N N 119.105 0.061 . 55 226 17 MET H H 7.536 0.005 . 56 226 17 MET C C 176.072 0.038 . 57 226 17 MET CA C 55.788 0.040 . 58 226 17 MET CB C 30.023 0.087 . 59 226 17 MET N N 119.662 0.085 . 60 227 18 VAL H H 7.900 0.007 . 61 227 18 VAL C C 175.285 0.017 . 62 227 18 VAL CA C 62.618 0.029 . 63 227 18 VAL CB C 28.816 0.144 . 64 227 18 VAL N N 119.981 0.053 . 65 228 19 SER H H 8.856 0.010 . 66 228 19 SER C C 174.318 0.000 . 67 228 19 SER CA C 59.142 0.110 . 68 228 19 SER N N 115.349 0.060 . 69 229 20 GLY H H 8.597 0.003 . 70 229 20 GLY C C 172.592 0.000 . 71 229 20 GLY CA C 44.426 0.079 . 72 229 20 GLY N N 111.327 0.063 . 73 230 21 ASN H H 7.687 0.006 . 74 230 21 ASN C C 174.260 0.004 . 75 230 21 ASN CA C 52.423 0.048 . 76 230 21 ASN CB C 35.372 0.045 . 77 230 21 ASN N N 122.800 0.100 . 78 231 22 VAL H H 8.249 0.007 . 79 231 22 VAL C C 174.278 0.013 . 80 231 22 VAL CA C 63.781 0.013 . 81 231 22 VAL CB C 28.381 0.104 . 82 231 22 VAL N N 119.849 0.066 . 83 232 23 ARG H H 8.298 0.007 . 84 232 23 ARG C C 175.510 0.044 . 85 232 23 ARG CA C 56.964 0.095 . 86 232 23 ARG CB C 26.517 0.037 . 87 232 23 ARG N N 120.982 0.060 . 88 233 24 VAL H H 7.689 0.011 . 89 233 24 VAL C C 174.662 0.005 . 90 233 24 VAL CA C 64.349 0.022 . 91 233 24 VAL CB C 28.358 0.094 . 92 233 24 VAL N N 118.982 0.059 . 93 234 25 MET H H 8.504 0.005 . 94 234 25 MET C C 174.108 0.003 . 95 234 25 MET CA C 57.603 0.008 . 96 234 25 MET CB C 30.073 0.041 . 97 234 25 MET N N 118.900 0.092 . 98 235 26 SER H H 8.875 0.008 . 99 235 26 SER C C 174.226 0.039 . 100 235 26 SER CA C 58.325 0.075 . 101 235 26 SER CB C 60.022 0.035 . 102 235 26 SER N N 111.867 0.100 . 103 236 27 GLU H H 8.325 0.023 . 104 236 27 GLU C C 176.365 0.051 . 105 236 27 GLU CA C 56.471 0.043 . 106 236 27 GLU CB C 26.050 0.003 . 107 236 27 GLU N N 120.993 0.131 . 108 237 28 MET H H 8.497 0.007 . 109 237 28 MET C C 173.979 0.026 . 110 237 28 MET CA C 57.773 0.075 . 111 237 28 MET CB C 30.488 0.034 . 112 237 28 MET N N 118.424 0.103 . 113 238 29 LEU H H 8.065 0.011 . 114 238 29 LEU C C 175.229 0.039 . 115 238 29 LEU CA C 53.967 0.061 . 116 238 29 LEU CB C 38.498 0.048 . 117 238 29 LEU N N 115.493 0.066 . 118 239 30 THR H H 7.786 0.011 . 119 239 30 THR C C 172.074 0.026 . 120 239 30 THR CA C 62.017 0.035 . 121 239 30 THR CB C 66.183 0.106 . 122 239 30 THR N N 115.280 0.067 . 123 240 31 GLU H H 7.950 0.007 . 124 240 31 GLU C C 174.572 0.024 . 125 240 31 GLU CA C 54.950 0.074 . 126 240 31 GLU CB C 28.573 0.039 . 127 240 31 GLU N N 119.535 0.103 . 128 241 32 LEU H H 8.200 0.011 . 129 241 32 LEU C C 173.195 0.008 . 130 241 32 LEU CA C 51.771 0.081 . 131 241 32 LEU CB C 39.853 0.053 . 132 241 32 LEU N N 118.830 0.087 . 133 242 33 VAL H H 8.681 0.006 . 134 242 33 VAL C C 174.010 0.000 . 135 242 33 VAL CA C 56.878 0.000 . 136 242 33 VAL CB C 29.360 0.000 . 137 242 33 VAL N N 125.438 0.069 . 138 243 34 PRO C C 174.062 0.011 . 139 243 34 PRO CA C 63.189 0.039 . 140 243 34 PRO CB C 28.862 0.000 . 141 244 35 THR H H 6.989 0.004 . 142 244 35 THR C C 171.681 0.031 . 143 244 35 THR CA C 59.255 0.038 . 144 244 35 THR CB C 65.590 0.049 . 145 244 35 THR N N 100.600 0.127 . 146 245 36 GLN H H 7.760 0.011 . 147 245 36 GLN C C 172.144 0.019 . 148 245 36 GLN CA C 51.589 0.047 . 149 245 36 GLN CB C 27.300 0.070 . 150 245 36 GLN N N 119.040 0.054 . 151 246 37 ALA H H 7.396 0.005 . 152 246 37 ALA C C 173.618 0.020 . 153 246 37 ALA CA C 49.243 0.026 . 154 246 37 ALA CB C 16.319 0.019 . 155 246 37 ALA N N 124.145 0.074 . 156 247 38 GLU H H 9.570 0.006 . 157 247 38 GLU C C 172.922 0.000 . 158 247 38 GLU CA C 51.813 0.000 . 159 247 38 GLU CB C 25.936 0.000 . 160 247 38 GLU N N 124.137 0.083 . 161 248 39 PRO C C 175.691 0.039 . 162 248 39 PRO CA C 63.398 0.004 . 163 248 39 PRO CB C 28.855 0.071 . 164 249 40 ALA H H 8.887 0.007 . 165 249 40 ALA C C 178.040 0.007 . 166 249 40 ALA CA C 52.281 0.084 . 167 249 40 ALA CB C 15.317 0.095 . 168 249 40 ALA N N 118.344 0.125 . 169 250 41 ASP H H 7.302 0.006 . 170 250 41 ASP C C 174.875 0.017 . 171 250 41 ASP CA C 53.880 0.102 . 172 250 41 ASP CB C 38.062 0.031 . 173 250 41 ASP N N 118.303 0.141 . 174 251 42 LEU H H 7.909 0.007 . 175 251 42 LEU C C 176.701 0.019 . 176 251 42 LEU CA C 54.573 0.024 . 177 251 42 LEU CB C 37.799 0.042 . 178 251 42 LEU N N 119.787 0.085 . 179 252 43 GLU H H 8.501 0.013 . 180 252 43 GLU C C 175.517 0.054 . 181 252 43 GLU CA C 56.046 0.132 . 182 252 43 GLU CB C 25.980 0.040 . 183 252 43 GLU N N 120.267 0.032 . 184 253 44 LEU H H 7.546 0.004 . 185 253 44 LEU C C 175.463 0.015 . 186 253 44 LEU CA C 54.798 0.059 . 187 253 44 LEU CB C 37.980 0.010 . 188 253 44 LEU N N 121.018 0.047 . 189 254 45 LEU H H 8.420 0.010 . 190 254 45 LEU C C 175.535 0.032 . 191 254 45 LEU CA C 55.245 0.078 . 192 254 45 LEU CB C 39.127 0.118 . 193 254 45 LEU N N 119.271 0.067 . 194 255 46 GLN H H 8.158 0.010 . 195 255 46 GLN C C 176.052 0.016 . 196 255 46 GLN CA C 55.779 0.006 . 197 255 46 GLN CB C 25.056 0.004 . 198 255 46 GLN N N 117.933 0.044 . 199 256 47 GLU H H 8.216 0.014 . 200 256 47 GLU C C 177.433 0.020 . 201 256 47 GLU CA C 55.639 0.047 . 202 256 47 GLU CB C 26.331 0.055 . 203 256 47 GLU N N 120.823 0.053 . 204 257 48 LEU H H 9.221 0.004 . 205 257 48 LEU C C 175.261 0.018 . 206 257 48 LEU CA C 55.548 0.115 . 207 257 48 LEU CB C 39.017 0.046 . 208 257 48 LEU N N 123.818 0.082 . 209 258 49 ASN H H 8.840 0.006 . 210 258 49 ASN C C 173.052 0.020 . 211 258 49 ASN CA C 55.145 0.097 . 212 258 49 ASN CB C 35.879 0.100 . 213 258 49 ASN N N 119.504 0.103 . 214 259 50 ARG H H 8.217 0.005 . 215 259 50 ARG C C 176.967 0.040 . 216 259 50 ARG CA C 57.059 0.040 . 217 259 50 ARG CB C 27.532 0.087 . 218 259 50 ARG N N 117.032 0.035 . 219 260 51 THR H H 8.516 0.019 . 220 260 51 THR C C 174.260 0.004 . 221 260 51 THR CA C 63.942 0.012 . 222 260 51 THR CB C 66.428 0.012 . 223 260 51 THR N N 116.860 0.085 . 224 261 52 CYS H H 9.419 0.005 . 225 261 52 CYS C C 174.424 0.027 . 226 261 52 CYS CA C 61.954 0.012 . 227 261 52 CYS CB C 23.613 0.083 . 228 261 52 CYS N N 119.944 0.075 . 229 262 53 ARG H H 8.858 0.016 . 230 262 53 ARG C C 176.031 0.027 . 231 262 53 ARG CA C 56.406 0.039 . 232 262 53 ARG CB C 26.096 0.062 . 233 262 53 ARG N N 122.987 0.060 . 234 263 54 ALA H H 7.541 0.005 . 235 263 54 ALA C C 178.320 0.003 . 236 263 54 ALA CA C 52.209 0.037 . 237 263 54 ALA CB C 14.774 0.019 . 238 263 54 ALA N N 124.452 0.170 . 239 264 55 MET H H 9.019 0.008 . 240 264 55 MET C C 174.346 0.009 . 241 264 55 MET CA C 57.217 0.059 . 242 264 55 MET CB C 29.131 0.035 . 243 264 55 MET N N 118.621 0.100 . 244 265 56 GLN H H 9.002 0.007 . 245 265 56 GLN C C 173.685 0.020 . 246 265 56 GLN CA C 56.680 0.110 . 247 265 56 GLN CB C 25.289 0.061 . 248 265 56 GLN N N 119.286 0.101 . 249 266 57 GLN H H 7.659 0.006 . 250 266 57 GLN C C 175.243 0.024 . 251 266 57 GLN CA C 56.238 0.052 . 252 266 57 GLN CB C 24.736 0.098 . 253 266 57 GLN N N 117.191 0.088 . 254 267 58 ARG H H 7.364 0.008 . 255 267 58 ARG C C 176.405 0.021 . 256 267 58 ARG CA C 55.376 0.065 . 257 267 58 ARG CB C 26.969 0.067 . 258 267 58 ARG N N 115.138 0.066 . 259 268 59 VAL H H 8.437 0.007 . 260 268 59 VAL C C 173.947 0.000 . 261 268 59 VAL CA C 64.595 0.063 . 262 268 59 VAL CB C 28.647 0.020 . 263 268 59 VAL N N 122.369 0.074 . 264 269 60 LEU H H 8.467 0.006 . 265 269 60 LEU C C 177.233 0.018 . 266 269 60 LEU CA C 54.760 0.030 . 267 269 60 LEU CB C 38.563 0.060 . 268 269 60 LEU N N 117.363 0.046 . 269 270 61 GLU H H 7.785 0.008 . 270 270 61 GLU C C 175.279 0.005 . 271 270 61 GLU CA C 55.082 0.065 . 272 270 61 GLU CB C 27.296 0.076 . 273 270 61 GLU N N 116.861 0.051 . 274 271 62 LEU H H 7.873 0.006 . 275 271 62 LEU C C 175.019 0.002 . 276 271 62 LEU CA C 53.793 0.047 . 277 271 62 LEU CB C 39.961 0.015 . 278 271 62 LEU N N 121.119 0.030 . 279 272 63 ILE H H 7.517 0.006 . 280 272 63 ILE C C 171.912 0.000 . 281 272 63 ILE CA C 65.106 0.000 . 282 272 63 ILE CB C 33.960 0.000 . 283 272 63 ILE N N 116.835 0.032 . 284 273 64 PRO C C 174.358 0.001 . 285 273 64 PRO CA C 61.682 0.000 . 286 273 64 PRO CB C 28.405 0.000 . 287 274 65 GLN H H 7.970 0.004 . 288 274 65 GLN C C 172.799 0.019 . 289 274 65 GLN CA C 52.980 0.050 . 290 274 65 GLN CB C 27.888 0.170 . 291 274 65 GLN N N 113.973 0.081 . 292 275 66 ILE H H 7.324 0.009 . 293 275 66 ILE C C 171.154 0.000 . 294 275 66 ILE CB C 35.427 0.000 . 295 275 66 ILE N N 117.568 0.154 . 296 279 70 GLN C C 175.243 0.000 . 297 279 70 GLN CB C 24.649 0.000 . 298 280 71 LEU H H 8.403 0.003 . 299 280 71 LEU CA C 53.856 0.000 . 300 280 71 LEU CB C 38.819 0.000 . 301 280 71 LEU N N 119.791 0.114 . 302 281 72 THR C C 172.098 0.000 . 303 281 72 THR CA C 65.090 0.000 . 304 282 73 GLU H H 7.694 0.010 . 305 282 73 GLU C C 175.603 0.030 . 306 282 73 GLU CA C 56.717 0.058 . 307 282 73 GLU CB C 25.944 0.095 . 308 282 73 GLU N N 119.449 0.116 . 309 283 74 GLU H H 7.737 0.004 . 310 283 74 GLU C C 176.332 0.000 . 311 283 74 GLU CA C 56.514 0.007 . 312 283 74 GLU CB C 26.038 0.062 . 313 283 74 GLU N N 118.293 0.101 . 314 284 75 LEU H H 8.517 0.013 . 315 284 75 LEU C C 175.288 0.016 . 316 284 75 LEU CA C 55.205 0.008 . 317 284 75 LEU CB C 38.787 0.016 . 318 284 75 LEU N N 120.001 0.047 . 319 285 76 LEU H H 8.235 0.013 . 320 285 76 LEU C C 177.226 0.010 . 321 285 76 LEU CA C 55.113 0.063 . 322 285 76 LEU CB C 38.109 0.084 . 323 285 76 LEU N N 119.212 0.044 . 324 286 77 ILE H H 7.897 0.008 . 325 286 77 ILE C C 175.258 0.015 . 326 286 77 ILE CA C 61.672 0.039 . 327 286 77 ILE CB C 35.367 0.062 . 328 286 77 ILE N N 121.614 0.085 . 329 287 78 VAL H H 8.074 0.014 . 330 287 78 VAL C C 175.059 0.045 . 331 287 78 VAL CA C 63.791 0.015 . 332 287 78 VAL CB C 28.050 0.039 . 333 287 78 VAL N N 120.630 0.080 . 334 288 79 ASN H H 8.593 0.007 . 335 288 79 ASN C C 173.553 0.013 . 336 288 79 ASN CA C 54.660 0.031 . 337 288 79 ASN CB C 35.868 0.047 . 338 288 79 ASN N N 118.024 0.082 . 339 289 80 ASP H H 8.089 0.004 . 340 289 80 ASP C C 175.722 0.008 . 341 289 80 ASP CA C 54.534 0.064 . 342 289 80 ASP CB C 37.273 0.000 . 343 289 80 ASP N N 119.461 0.077 . 344 290 81 ASN H H 8.527 0.008 . 345 290 81 ASN C C 175.732 0.013 . 346 290 81 ASN CA C 52.586 0.008 . 347 290 81 ASN CB C 34.256 0.102 . 348 290 81 ASN N N 120.079 0.055 . 349 291 82 LEU H H 8.727 0.005 . 350 291 82 LEU C C 172.549 0.014 . 351 291 82 LEU CA C 54.337 0.079 . 352 291 82 LEU CB C 37.917 0.088 . 353 291 82 LEU N N 123.651 0.087 . 354 292 83 ASN H H 8.188 0.009 . 355 292 83 ASN C C 175.649 0.029 . 356 292 83 ASN CA C 53.454 0.135 . 357 292 83 ASN CB C 34.488 0.042 . 358 292 83 ASN N N 115.787 0.072 . 359 293 84 ASN H H 8.170 0.005 . 360 293 84 ASN C C 174.770 0.016 . 361 293 84 ASN CA C 53.773 0.075 . 362 293 84 ASN CB C 35.711 0.032 . 363 293 84 ASN N N 117.369 0.073 . 364 294 85 VAL H H 7.971 0.008 . 365 294 85 VAL C C 175.183 0.021 . 366 294 85 VAL CA C 62.763 0.029 . 367 294 85 VAL CB C 28.450 0.131 . 368 294 85 VAL N N 119.429 0.076 . 369 295 86 PHE H H 8.283 0.005 . 370 295 86 PHE C C 176.583 0.013 . 371 295 86 PHE CA C 55.778 0.133 . 372 295 86 PHE CB C 33.736 0.109 . 373 295 86 PHE N N 122.716 0.107 . 374 296 87 LEU H H 7.967 0.005 . 375 296 87 LEU C C 177.263 0.032 . 376 296 87 LEU CA C 55.294 0.063 . 377 296 87 LEU CB C 38.616 0.076 . 378 296 87 LEU N N 122.248 0.123 . 379 297 88 ARG H H 7.904 0.005 . 380 297 88 ARG C C 176.485 0.010 . 381 297 88 ARG CA C 56.596 0.049 . 382 297 88 ARG CB C 27.926 0.136 . 383 297 88 ARG N N 118.949 0.080 . 384 298 89 HIS H H 9.171 0.003 . 385 298 89 HIS C C 173.310 0.060 . 386 298 89 HIS CA C 56.693 0.113 . 387 298 89 HIS CB C 27.855 0.190 . 388 298 89 HIS N N 123.600 0.133 . 389 299 90 GLU H H 8.438 0.004 . 390 299 90 GLU C C 176.248 0.031 . 391 299 90 GLU CA C 56.660 0.019 . 392 299 90 GLU CB C 25.956 0.050 . 393 299 90 GLU N N 120.562 0.051 . 394 300 91 ARG H H 7.625 0.005 . 395 300 91 ARG C C 174.233 0.003 . 396 300 91 ARG CA C 56.507 0.073 . 397 300 91 ARG CB C 26.951 0.067 . 398 300 91 ARG N N 118.855 0.078 . 399 301 92 PHE H H 8.105 0.007 . 400 301 92 PHE C C 174.033 0.007 . 401 301 92 PHE CA C 58.511 0.072 . 402 301 92 PHE CB C 37.233 0.055 . 403 301 92 PHE N N 121.788 0.096 . 404 302 93 GLU H H 8.614 0.021 . 405 302 93 GLU C C 176.598 0.046 . 406 302 93 GLU CA C 55.181 0.078 . 407 302 93 GLU CB C 27.261 0.182 . 408 302 93 GLU N N 118.112 0.100 . 409 303 94 ARG H H 8.012 0.010 . 410 303 94 ARG C C 175.930 0.007 . 411 303 94 ARG CA C 56.460 0.015 . 412 303 94 ARG CB C 26.617 0.117 . 413 303 94 ARG N N 121.081 0.098 . 414 304 95 PHE H H 8.012 0.010 . 415 304 95 PHE C C 175.389 0.037 . 416 304 95 PHE CA C 56.578 0.072 . 417 304 95 PHE CB C 35.585 0.047 . 418 304 95 PHE N N 118.594 0.054 . 419 305 96 ARG H H 8.398 0.019 . 420 305 96 ARG C C 174.217 0.015 . 421 305 96 ARG CA C 56.212 0.058 . 422 305 96 ARG CB C 28.037 0.127 . 423 305 96 ARG N N 119.679 0.069 . 424 306 97 THR H H 7.861 0.007 . 425 306 97 THR C C 172.481 0.021 . 426 306 97 THR CA C 58.879 0.041 . 427 306 97 THR CB C 66.999 0.046 . 428 306 97 THR N N 106.943 0.045 . 429 307 98 GLY H H 7.812 0.005 . 430 307 98 GLY CA C 42.848 0.049 . 431 307 98 GLY N N 110.589 0.066 . 432 308 99 GLN H H 8.107 0.003 . 433 308 99 GLN CA C 52.420 0.000 . 434 308 99 GLN CB C 26.559 0.016 . 435 308 99 GLN N N 120.087 0.036 . 436 309 100 THR H H 7.776 0.003 . 437 309 100 THR N N 119.818 0.025 . stop_ save_