data_27916 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p50 heterodimer ; _BMRB_accession_number 27916 _BMRB_flat_file_name bmr27916.str _Entry_type original _Submission_date 2019-05-16 _Accession_date 2019-05-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'heterodimer of p50 dimerization domain with p65 dimerization domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kohl Bastian . . 2 Granitzka Vanessa . . 3 Singh Amrinder . . 4 Quintas Pedro . . 5 Xiromeriti Elli . . 6 Mortel Fabian . . 7 Wright Peter . . 8 Kroon Gerard . . 9 Dyson Jane . . 10 Stoll Raphael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 108 "13C chemical shifts" 212 "15N chemical shifts" 108 "T1 relaxation values" 87 "T2 relaxation values" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-10 update BMRB 'update entry citation' 2019-11-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27915 'p50 homodimer' stop_ _Original_release_date 2019-05-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Comparison of backbone dynamics of the p50 dimerization domain of NFkB in the homodimeric transcription factor NFkB1 and in its heterodimeric complex with RelA (p65) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31587407 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kohl Bastian . . 2 Granitzka Vanessa . . 3 Singh Amrinder . . 4 Quintas Pedro . . 5 Xiromeriti Elli . . 6 Mortel Fabian . . 7 Wright Peter . . 8 Kroon Gerard . . 9 Dyson Jane . . 10 Stoll Raphael . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 28 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2064 _Page_last 2072 _Year 2019 _Details . loop_ _Keyword NFkappaB dynamics stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p50 heterodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p50 heterodimer, 1' $p50_heterodimer 'p50 heterodimer, 2' $p50_heterodimer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'transcription factor' stop_ _Database_query_date . _Details 'heterodimer of p50 DD with p65 DD' save_ ######################## # Monomeric polymers # ######################## save_p50_heterodimer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p50_heterodimer _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; VGTGSNDDDDKAPNASNLKI VRMDRTAGCVTGGEEIYLLC DKVQKDDIQIRFYEEEENGG VWEGFGDFSPTDVHRQFAIV FKTPKYKDVNITKPASVFVQ LRRKSDLETSEPKPFLYYPE I ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 233 VAL 2 234 GLY 3 235 THR 4 236 GLY 5 237 SER 6 238 ASN 7 239 ASP 8 240 ASP 9 241 ASP 10 242 ASP 11 243 LYS 12 244 ALA 13 245 PRO 14 246 ASN 15 247 ALA 16 248 SER 17 249 ASN 18 250 LEU 19 251 LYS 20 252 ILE 21 253 VAL 22 254 ARG 23 255 MET 24 256 ASP 25 257 ARG 26 258 THR 27 259 ALA 28 260 GLY 29 261 CYS 30 262 VAL 31 263 THR 32 264 GLY 33 265 GLY 34 266 GLU 35 267 GLU 36 268 ILE 37 269 TYR 38 270 LEU 39 271 LEU 40 272 CYS 41 273 ASP 42 274 LYS 43 275 VAL 44 276 GLN 45 277 LYS 46 278 ASP 47 279 ASP 48 280 ILE 49 281 GLN 50 282 ILE 51 283 ARG 52 284 PHE 53 285 TYR 54 286 GLU 55 287 GLU 56 288 GLU 57 289 GLU 58 290 ASN 59 291 GLY 60 292 GLY 61 293 VAL 62 294 TRP 63 295 GLU 64 296 GLY 65 297 PHE 66 298 GLY 67 299 ASP 68 300 PHE 69 301 SER 70 302 PRO 71 303 THR 72 304 ASP 73 305 VAL 74 306 HIS 75 307 ARG 76 308 GLN 77 309 PHE 78 310 ALA 79 311 ILE 80 312 VAL 81 313 PHE 82 314 LYS 83 315 THR 84 316 PRO 85 317 LYS 86 318 TYR 87 319 LYS 88 320 ASP 89 321 VAL 90 322 ASN 91 323 ILE 92 324 THR 93 325 LYS 94 326 PRO 95 327 ALA 96 328 SER 97 329 VAL 98 330 PHE 99 331 VAL 100 332 GLN 101 333 LEU 102 334 ARG 103 335 ARG 104 336 LYS 105 337 SER 106 338 ASP 107 339 LEU 108 340 GLU 109 341 THR 110 342 SER 111 343 GLU 112 344 PRO 113 345 LYS 114 346 PRO 115 347 PHE 116 348 LEU 117 349 TYR 118 350 TYR 119 351 PRO 120 352 GLU 121 353 ILE 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 $p50_heterodimer Mouse 10090 Eukaryota Metazoa Mus musculus 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 $p50_heterodimer 'recombinant technology' . Escherichia coli . pET-45b(+) 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 $p50_heterodimer 1.25 mM 1 1.5 '[U-13C; U-15N; U-2H]' $p50_heterodimer 1.25 mM 1 1.5 'natural abundance' HEPES 50 mM . . 'natural abundance' DTT 150 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version 2.7 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_NMRView _Saveframe_category software _Name NMRView _Version J loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0 . M pH 6.8 . 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' na 0.0 na indirect . . . 0.2514495 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 DSS N 15 'methyl protons' na 0.0 na indirect . . . 0.1013291 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' 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 'p50 heterodimer, 1' _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 1 233 1 VAL H H 8.156 0.01 1 2 233 1 VAL CA C 61.863 0.05 1 3 233 1 VAL CB C 32.098 0.05 1 4 233 1 VAL N N 122.172 0.05 1 5 234 2 GLY H H 8.455 0.01 1 6 234 2 GLY CA C 44.642 0.05 1 7 234 2 GLY N N 112.425 0.05 1 8 235 3 THR H H 8.176 0.01 1 9 235 3 THR CA C 61.424 0.05 1 10 235 3 THR CB C 69.414 0.05 1 11 235 3 THR N N 113.039 0.05 1 12 236 4 GLY H H 8.510 0.01 1 13 236 4 GLY CA C 44.762 0.05 1 14 236 4 GLY N N 111.365 0.05 1 15 237 5 SER H H 8.208 0.01 1 16 237 5 SER CA C 57.699 0.05 1 17 237 5 SER CB C 63.471 0.05 1 18 237 5 SER N N 115.518 0.05 1 19 238 6 ASN H H 8.553 0.01 1 20 238 6 ASN CA C 52.976 0.05 1 21 238 6 ASN CB C 38.576 0.05 1 22 238 6 ASN N N 120.587 0.05 1 23 239 7 ASP H H 8.291 0.01 1 24 239 7 ASP CA C 54.308 0.05 1 25 239 7 ASP CB C 40.550 0.05 1 26 239 7 ASP N N 120.491 0.05 1 27 240 8 ASP H H 8.178 0.01 1 28 240 8 ASP CA C 54.327 0.05 1 29 240 8 ASP CB C 40.642 0.05 1 30 240 8 ASP N N 120.320 0.05 1 31 241 9 ASP H H 8.207 0.01 1 32 241 9 ASP CA C 54.290 0.05 1 33 241 9 ASP CB C 40.596 0.05 1 34 241 9 ASP N N 119.828 0.05 1 35 242 10 ASP H H 8.238 0.01 1 36 242 10 ASP CA C 54.271 0.05 1 37 242 10 ASP CB C 40.366 0.05 1 38 242 10 ASP N N 120.322 0.05 1 39 243 11 LYS H H 8.011 0.01 1 40 243 11 LYS CA C 55.383 0.05 1 41 243 11 LYS CB C 31.977 0.05 1 42 243 11 LYS N N 120.359 0.05 1 43 244 12 ALA H H 8.125 0.01 1 44 244 12 ALA CA C 50.402 0.05 1 45 244 12 ALA CB C 17.398 0.05 1 46 244 12 ALA N N 125.543 0.05 1 47 245 13 PRO CA C 62.986 0.05 1 48 245 13 PRO CB C 31.178 0.05 1 49 246 14 ASN H H 8.349 0.01 1 50 246 14 ASN CA C 52.853 0.05 1 51 246 14 ASN CB C 38.380 0.05 1 52 246 14 ASN N N 117.476 0.05 1 53 247 15 ALA H H 8.148 0.01 1 54 247 15 ALA CA C 52.012 0.05 1 55 247 15 ALA CB C 18.750 0.05 1 56 247 15 ALA N N 123.924 0.05 1 57 248 16 SER H H 8.250 0.01 1 58 248 16 SER CA C 57.859 0.05 1 59 248 16 SER CB C 63.471 0.05 1 60 248 16 SER N N 114.968 0.05 1 61 249 17 ASN H H 8.391 0.01 1 62 249 17 ASN CA C 52.844 0.05 1 63 249 17 ASN CB C 38.761 0.05 1 64 249 17 ASN N N 120.285 0.05 1 65 250 18 LEU H H 8.403 0.01 1 66 250 18 LEU CA C 53.572 0.05 1 67 250 18 LEU CB C 42.915 0.05 1 68 250 18 LEU N N 122.086 0.05 1 69 251 19 LYS H H 8.589 0.01 1 70 251 19 LYS CA C 56.584 0.05 1 71 251 19 LYS CB C 36.093 0.05 1 72 251 19 LYS N N 121.984 0.05 1 73 252 20 ILE H H 9.039 0.01 1 74 252 20 ILE CA C 61.912 0.05 1 75 252 20 ILE CB C 36.885 0.05 1 76 252 20 ILE N N 125.693 0.05 1 77 253 21 VAL H H 8.985 0.01 1 78 253 21 VAL CA C 64.543 0.05 1 79 253 21 VAL CB C 31.709 0.05 1 80 253 21 VAL N N 129.099 0.05 1 81 254 22 ARG CA C 58.619 0.05 1 82 255 23 MET H H 8.582 0.01 1 83 255 23 MET CA C 54.524 0.05 1 84 255 23 MET CB C 35.356 0.05 1 85 255 23 MET N N 119.902 0.05 1 86 256 24 ASP H H 8.210 0.01 1 87 256 24 ASP CA C 57.629 0.05 1 88 256 24 ASP N N 119.205 0.05 1 89 257 25 ARG H H 7.221 0.01 1 90 257 25 ARG CA C 53.223 0.05 1 91 257 25 ARG CB C 31.119 0.05 1 92 257 25 ARG N N 119.426 0.05 1 93 258 26 THR H H 8.269 0.01 1 94 258 26 THR CA C 59.381 0.05 1 95 258 26 THR CB C 67.855 0.05 1 96 258 26 THR N N 108.150 0.05 1 97 259 27 ALA H H 7.072 0.01 1 98 259 27 ALA CA C 49.245 0.05 1 99 259 27 ALA CB C 22.550 0.05 1 100 259 27 ALA N N 123.065 0.05 1 101 260 28 GLY H H 8.337 0.01 1 102 260 28 GLY CA C 44.161 0.05 1 103 260 28 GLY N N 107.383 0.05 1 104 261 29 CYS H H 8.979 0.01 1 105 261 29 CYS CA C 58.426 0.05 1 106 261 29 CYS CB C 27.133 0.05 1 107 261 29 CYS N N 120.048 0.05 1 108 262 30 VAL H H 8.383 0.01 1 109 262 30 VAL CA C 64.228 0.05 1 110 262 30 VAL CB C 32.098 0.05 1 111 262 30 VAL N N 122.915 0.05 1 112 263 31 THR H H 7.314 0.01 1 113 263 31 THR CA C 63.467 0.05 1 114 263 31 THR CB C 68.147 0.05 1 115 263 31 THR N N 109.529 0.05 1 116 264 32 GLY H H 7.660 0.01 1 117 264 32 GLY CA C 43.801 0.05 1 118 264 32 GLY N N 105.893 0.05 1 119 265 33 GLY H H 9.024 0.01 1 120 265 33 GLY CA C 45.483 0.05 1 121 265 33 GLY N N 106.888 0.05 1 122 266 34 GLU H H 7.754 0.01 1 123 266 34 GLU CA C 54.822 0.05 1 124 266 34 GLU CB C 30.734 0.05 1 125 266 34 GLU N N 119.106 0.05 1 126 267 35 GLU H H 8.573 0.01 1 127 267 35 GLU CA C 56.297 0.05 1 128 267 35 GLU CB C 31.094 0.05 1 129 267 35 GLU N N 122.896 0.05 1 130 268 36 ILE H H 9.080 0.01 1 131 268 36 ILE CA C 58.943 0.05 1 132 268 36 ILE CB C 38.626 0.05 1 133 268 36 ILE N N 128.555 0.05 1 134 269 37 TYR H H 8.790 0.01 1 135 269 37 TYR CA C 53.692 0.05 1 136 269 37 TYR N N 124.320 0.05 1 137 270 38 LEU H H 8.781 0.01 1 138 270 38 LEU CA C 55.900 0.05 1 139 270 38 LEU CB C 37.944 0.05 1 140 270 38 LEU N N 122.661 0.05 1 141 271 39 LEU H H 9.398 0.01 1 142 271 39 LEU CA C 53.213 0.05 1 143 271 39 LEU N N 124.503 0.05 1 144 272 40 CYS H H 8.915 0.01 1 145 272 40 CYS CA C 54.491 0.05 1 146 272 40 CYS CB C 33.895 0.05 1 147 272 40 CYS N N 122.398 0.05 1 148 273 41 ASP H H 7.324 0.01 1 149 273 41 ASP CA C 54.575 0.05 1 150 273 41 ASP CB C 41.081 0.05 1 151 273 41 ASP N N 117.712 0.05 1 152 274 42 LYS H H 8.260 0.01 1 153 274 42 LYS CA C 58.367 0.05 1 154 274 42 LYS CB C 32.078 0.05 1 155 274 42 LYS N N 118.130 0.05 1 156 275 43 VAL H H 8.556 0.01 1 157 275 43 VAL CA C 58.357 0.05 1 158 275 43 VAL CB C 35.313 0.05 1 159 275 43 VAL N N 119.858 0.05 1 160 276 44 GLN H H 8.605 0.01 1 161 276 44 GLN CA C 53.847 0.05 1 162 276 44 GLN CB C 28.975 0.05 1 163 276 44 GLN N N 119.948 0.05 1 164 277 45 LYS H H 8.779 0.01 1 165 277 45 LYS CA C 59.278 0.05 1 166 277 45 LYS CB C 29.731 0.05 1 167 277 45 LYS N N 123.200 0.05 1 168 278 46 ASP H H 8.213 0.01 1 169 278 46 ASP CA C 53.333 0.05 1 170 278 46 ASP CB C 40.185 0.05 1 171 278 46 ASP N N 116.342 0.05 1 172 279 47 ASP H H 8.061 0.01 1 173 279 47 ASP CA C 52.970 0.05 1 174 279 47 ASP CB C 40.689 0.05 1 175 279 47 ASP N N 120.387 0.05 1 176 280 48 ILE H H 7.841 0.01 1 177 280 48 ILE CA C 56.618 0.05 1 178 280 48 ILE CB C 41.801 0.05 1 179 280 48 ILE N N 117.383 0.05 1 180 281 49 GLN H H 8.923 0.01 1 181 281 49 GLN CA C 53.512 0.05 1 182 281 49 GLN CB C 32.585 0.05 1 183 281 49 GLN N N 124.190 0.05 1 184 282 50 ILE H H 9.396 0.01 1 185 282 50 ILE CA C 60.317 0.05 1 186 282 50 ILE CB C 38.856 0.05 1 187 282 50 ILE N N 122.122 0.05 1 188 283 51 ARG H H 8.939 0.01 1 189 283 51 ARG CA C 54.605 0.05 1 190 283 51 ARG CB C 32.683 0.05 1 191 283 51 ARG N N 129.067 0.05 1 192 284 52 PHE H H 9.232 0.01 1 193 284 52 PHE CA C 54.577 0.05 1 194 284 52 PHE N N 129.136 0.05 1 195 285 53 TYR H H 9.585 0.01 1 196 285 53 TYR CA C 56.408 0.05 1 197 285 53 TYR CB C 40.674 0.05 1 198 285 53 TYR N N 116.524 0.05 1 199 286 54 GLU H H 8.950 0.01 1 200 286 54 GLU CA C 54.601 0.05 1 201 286 54 GLU CB C 34.563 0.05 1 202 286 54 GLU N N 118.759 0.05 1 203 287 55 GLU H H 9.410 0.01 1 204 287 55 GLU CA C 56.121 0.05 1 205 287 55 GLU CB C 29.511 0.05 1 206 287 55 GLU N N 126.474 0.05 1 207 288 56 GLU H H 8.598 0.01 1 208 288 56 GLU CA C 55.128 0.05 1 209 288 56 GLU CB C 30.567 0.05 1 210 288 56 GLU N N 123.869 0.05 1 211 289 57 GLU H H 8.873 0.01 1 212 289 57 GLU CA C 58.125 0.05 1 213 289 57 GLU CB C 29.023 0.05 1 214 289 57 GLU N N 122.152 0.05 1 215 290 58 ASN H H 8.429 0.01 1 216 290 58 ASN CA C 53.053 0.05 1 217 290 58 ASN CB C 37.359 0.05 1 218 290 58 ASN N N 115.637 0.05 1 219 291 59 GLY H H 8.061 0.01 1 220 291 59 GLY CA C 44.870 0.05 1 221 291 59 GLY N N 107.308 0.05 1 222 292 60 GLY H H 7.993 0.01 1 223 292 60 GLY CA C 44.442 0.05 1 224 292 60 GLY N N 109.030 0.05 1 225 293 61 VAL H H 8.248 0.01 1 226 293 61 VAL CA C 60.738 0.05 1 227 293 61 VAL CB C 34.604 0.05 1 228 293 61 VAL N N 119.233 0.05 1 229 294 62 TRP H H 8.913 0.01 1 230 294 62 TRP CA C 57.593 0.05 1 231 294 62 TRP CB C 29.207 0.05 1 232 294 62 TRP N N 128.324 0.05 1 233 295 63 GLU H H 6.910 0.01 1 234 295 63 GLU CA C 52.828 0.05 1 235 295 63 GLU CB C 32.488 0.05 1 236 295 63 GLU N N 122.548 0.05 1 237 296 64 GLY H H 8.196 0.01 1 238 296 64 GLY CA C 43.120 0.05 1 239 296 64 GLY N N 107.844 0.05 1 240 297 65 PHE H H 8.772 0.01 1 241 297 65 PHE CA C 56.403 0.05 1 242 297 65 PHE CB C 40.813 0.05 1 243 297 65 PHE N N 117.854 0.05 1 244 298 66 GLY H H 9.423 0.01 1 245 298 66 GLY CA C 45.483 0.05 1 246 298 66 GLY N N 106.734 0.05 1 247 299 67 ASP H H 9.353 0.01 1 248 299 67 ASP CA C 53.851 0.05 1 249 299 67 ASP CB C 41.508 0.05 1 250 299 67 ASP N N 125.443 0.05 1 251 300 68 PHE H H 7.916 0.01 1 252 300 68 PHE CA C 56.538 0.05 1 253 300 68 PHE CB C 38.141 0.05 1 254 300 68 PHE N N 121.487 0.05 1 255 301 69 SER H H 9.892 0.01 1 256 301 69 SER CA C 55.741 0.05 1 257 301 69 SER CB C 63.659 0.05 1 258 301 69 SER N N 119.597 0.05 1 259 302 70 PRO CA C 65.870 0.05 1 260 302 70 PRO CB C 30.929 0.05 1 261 303 71 THR H H 7.325 0.01 1 262 303 71 THR CA C 62.946 0.05 1 263 303 71 THR CB C 67.926 0.05 1 264 303 71 THR N N 104.286 0.05 1 265 304 72 ASP H H 8.422 0.01 1 266 304 72 ASP CA C 55.722 0.05 1 267 304 72 ASP CB C 41.922 0.05 1 268 304 72 ASP N N 121.688 0.05 1 269 305 73 VAL H H 7.238 0.01 1 270 305 73 VAL CA C 61.264 0.05 1 271 305 73 VAL CB C 29.273 0.05 1 272 305 73 VAL N N 120.559 0.05 1 273 306 74 HIS H H 9.038 0.01 1 274 306 74 HIS CA C 55.684 0.05 1 275 306 74 HIS CB C 32.212 0.05 1 276 306 74 HIS N N 131.124 0.05 1 277 307 75 ARG H H 8.942 0.01 1 278 307 75 ARG CA C 55.461 0.05 1 279 307 75 ARG CB C 27.675 0.05 1 280 307 75 ARG N N 122.103 0.05 1 281 308 76 GLN H H 7.818 0.01 1 282 308 76 GLN CA C 58.861 0.05 1 283 308 76 GLN CB C 28.493 0.05 1 284 308 76 GLN N N 104.764 0.05 1 285 309 77 PHE H H 7.565 0.01 1 286 309 77 PHE CA C 58.825 0.05 1 287 309 77 PHE CB C 41.646 0.05 1 288 309 77 PHE N N 114.795 0.05 1 289 310 78 ALA H H 7.671 0.01 1 290 310 78 ALA CA C 51.170 0.05 1 291 310 78 ALA CB C 22.430 0.05 1 292 310 78 ALA N N 120.649 0.05 1 293 311 79 ILE H H 9.643 0.01 1 294 311 79 ILE CA C 61.148 0.05 1 295 311 79 ILE CB C 44.077 0.05 1 296 311 79 ILE N N 120.094 0.05 1 297 312 80 VAL H H 7.351 0.01 1 298 312 80 VAL CA C 60.645 0.05 1 299 312 80 VAL CB C 31.514 0.05 1 300 312 80 VAL N N 127.894 0.05 1 301 313 81 PHE H H 8.739 0.01 1 302 313 81 PHE CA C 54.375 0.05 1 303 313 81 PHE CB C 34.729 0.05 1 304 313 81 PHE N N 121.781 0.05 1 305 314 82 LYS H H 9.049 0.01 1 306 314 82 LYS CA C 53.277 0.05 1 307 314 82 LYS CB C 27.064 0.05 1 308 314 82 LYS N N 116.174 0.05 1 309 315 83 THR H H 9.046 0.01 1 310 315 83 THR CA C 59.052 0.05 1 311 315 83 THR CB C 68.156 0.05 1 312 315 83 THR N N 113.495 0.05 1 313 317 85 LYS H H 8.435 0.01 1 314 317 85 LYS CA C 56.132 0.05 1 315 317 85 LYS CB C 32.080 0.05 1 316 317 85 LYS N N 122.096 0.05 1 317 320 88 ASP CA C 50.572 0.05 1 318 320 88 ASP CB C 40.378 0.05 1 319 321 89 VAL H H 8.097 0.01 1 320 321 89 VAL CA C 61.344 0.05 1 321 321 89 VAL CB C 29.662 0.05 1 322 321 89 VAL N N 115.107 0.05 1 323 322 90 ASN H H 8.688 0.01 1 324 322 90 ASN CA C 52.580 0.05 1 325 322 90 ASN CB C 38.392 0.05 1 326 322 90 ASN N N 119.626 0.05 1 327 323 91 ILE H H 6.507 0.01 1 328 323 91 ILE CA C 62.167 0.05 1 329 323 91 ILE CB C 38.040 0.05 1 330 323 91 ILE N N 112.237 0.05 1 331 324 92 THR H H 8.531 0.01 1 332 324 92 THR CA C 60.863 0.05 1 333 324 92 THR CB C 69.219 0.05 1 334 324 92 THR N N 108.858 0.05 1 335 325 93 LYS H H 7.571 0.01 1 336 325 93 LYS CA C 52.813 0.05 1 337 325 93 LYS CB C 32.683 0.05 1 338 325 93 LYS N N 121.872 0.05 1 339 326 94 PRO CA C 61.966 0.05 1 340 326 94 PRO CB C 30.290 0.05 1 341 327 95 ALA H H 8.801 0.01 1 342 327 95 ALA CA C 50.247 0.05 1 343 327 95 ALA CB C 20.487 0.05 1 344 327 95 ALA N N 126.028 0.05 1 345 328 96 SER H H 8.423 0.01 1 346 328 96 SER CA C 57.682 0.05 1 347 328 96 SER CB C 63.048 0.05 1 348 328 96 SER N N 118.448 0.05 1 349 329 97 VAL H H 9.069 0.01 1 350 329 97 VAL CA C 58.210 0.05 1 351 329 97 VAL CB C 33.073 0.05 1 352 329 97 VAL N N 121.081 0.05 1 353 330 98 PHE H H 8.763 0.01 1 354 330 98 PHE CA C 56.072 0.05 1 355 330 98 PHE N N 118.698 0.05 1 356 331 99 VAL H H 9.153 0.01 1 357 331 99 VAL CA C 58.426 0.05 1 358 331 99 VAL CB C 33.730 0.05 1 359 331 99 VAL N N 117.543 0.05 1 360 332 100 GLN H H 8.949 0.01 1 361 332 100 GLN CA C 52.986 0.05 1 362 332 100 GLN CB C 31.161 0.05 1 363 332 100 GLN N N 120.359 0.05 1 364 334 102 ARG CA C 54.415 0.05 1 365 335 103 ARG H H 8.640 0.01 1 366 335 103 ARG CA C 55.676 0.05 1 367 335 103 ARG CB C 31.611 0.05 1 368 335 103 ARG N N 127.217 0.05 1 369 336 104 LYS H H 7.233 0.01 1 370 336 104 LYS CA C 59.017 0.05 1 371 336 104 LYS CB C 31.540 0.05 1 372 336 104 LYS N N 124.520 0.05 1 373 337 105 SER H H 9.870 0.01 1 374 337 105 SER CA C 59.861 0.05 1 375 337 105 SER CB C 63.728 0.05 1 376 337 105 SER N N 114.786 0.05 1 377 338 106 ASP H H 7.163 0.01 1 378 338 106 ASP CA C 51.851 0.05 1 379 338 106 ASP CB C 40.867 0.05 1 380 338 106 ASP N N 116.573 0.05 1 381 339 107 LEU H H 7.537 0.01 1 382 339 107 LEU CA C 55.737 0.05 1 383 339 107 LEU CB C 37.554 0.05 1 384 339 107 LEU N N 115.003 0.05 1 385 340 108 GLU H H 7.710 0.01 1 386 340 108 GLU CA C 56.898 0.05 1 387 340 108 GLU CB C 29.175 0.05 1 388 340 108 GLU N N 120.280 0.05 1 389 341 109 THR H H 8.133 0.01 1 390 341 109 THR CA C 58.620 0.05 1 391 341 109 THR CB C 72.434 0.05 1 392 341 109 THR N N 108.992 0.05 1 393 342 110 SER H H 8.339 0.01 1 394 342 110 SER CA C 56.978 0.05 1 395 342 110 SER CB C 66.491 0.05 1 396 342 110 SER N N 113.909 0.05 1 397 343 111 GLU H H 8.915 0.01 1 398 343 111 GLU CA C 55.176 0.05 1 399 343 111 GLU CB C 28.497 0.05 1 400 343 111 GLU N N 121.926 0.05 1 401 344 112 PRO CA C 61.774 0.05 1 402 345 113 LYS H H 9.273 0.01 1 403 345 113 LYS CA C 51.180 0.05 1 404 345 113 LYS CB C 33.036 0.05 1 405 345 113 LYS N N 120.172 0.05 1 406 347 115 PHE H H 8.237 0.01 1 407 347 115 PHE CA C 56.485 0.05 1 408 347 115 PHE N N 122.192 0.05 1 409 348 116 LEU H H 7.230 0.01 1 410 348 116 LEU CA C 52.893 0.05 1 411 348 116 LEU CB C 44.138 0.05 1 412 348 116 LEU N N 129.133 0.05 1 413 349 117 TYR H H 8.762 0.01 1 414 349 117 TYR CA C 56.263 0.05 1 415 349 117 TYR N N 123.200 0.05 1 416 350 118 TYR H H 8.494 0.01 1 417 350 118 TYR CA C 53.013 0.05 1 418 350 118 TYR N N 117.743 0.05 1 419 351 119 PRO CA C 60.542 0.05 1 420 351 119 PRO CB C 30.692 0.05 1 421 352 120 GLU H H 8.624 0.01 1 422 352 120 GLU CA C 55.687 0.05 1 423 352 120 GLU CB C 28.595 0.05 1 424 352 120 GLU N N 121.235 0.05 1 425 353 121 ILE H H 7.713 0.01 1 426 353 121 ILE CA C 62.465 0.05 1 427 353 121 ILE CB C 39.016 0.05 1 428 353 121 ILE N N 127.184 0.05 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name 'p50 heterodimer, 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 18 LEU N 1.562033 0.076019 2 19 LYS N 1.425497 0.10794 3 20 ILE N 1.644838 0.117396 4 21 VAL N 1.343027 0.087437 5 23 MET N 1.45275 0.095334 6 24 ASP N 1.406647 0.042224 7 26 THR N 1.473363 0.112831 8 27 ALA N 1.605425 0.092401 9 28 GLY N 1.615001 0.096382 10 29 CYS N 1.607986 0.168078 11 30 VAL N 1.396272 0.106941 12 31 THR N 1.480206 0.106614 13 32 GLY N 1.386141 0.105843 14 33 GLY N 1.560754 0.098643 15 34 GLU N 1.5329 0.084656 16 35 GLU N 1.601785 0.093638 17 36 ILE N 1.617761 0.113539 18 38 LEU N 1.523078 0.115089 19 39 LEU N 1.524371 0.119162 20 41 ASP N 1.602676 0.151281 21 42 LYS N 1.497597 0.08834 22 43 VAL N 1.011801 0.193979 23 44 GLN N 1.511695 0.108819 24 45 LYS N 1.624438 0.102511 25 46 ASP N 1.42193 0.072546 26 47 ASP N 1.57496 0.103769 27 48 ILE N 1.502056 0.090925 28 49 GLN N 1.506257 0.089759 29 50 ILE N 1.48768 0.104557 30 51 ARG N 1.461893 0.086169 31 52 PHE N 1.446521 0.095226 32 53 TYR N 1.596634 0.104086 33 54 GLU N 1.57999 0.116433 34 55 GLU N 1.537878 0.077645 35 56 GLU N 1.293211 0.043148 36 57 GLU N 1.129431 0.086574 37 58 ASN N 1.080933 0.090765 38 59 GLY N 1.100204 0.060961 39 60 GLY N 0.976043 0.04067 40 61 VAL N 1.30426 0.054658 41 62 TRP N 1.367707 0.071892 42 63 GLU N 1.61018 0.059965 43 64 GLY N 1.533342 0.070221 44 65 PHE N 1.524113 0.074914 45 66 GLY N 1.713343 0.142027 46 67 ASP N 1.55721 0.098053 47 68 PHE N 1.681415 0.078063 48 69 SER N 1.539799 0.111756 49 71 THR N 1.355957 0.084792 50 72 ASP N 1.551435 0.133974 51 73 VAL N 1.474954 0.091378 52 74 HIS N 1.747634 0.134137 53 75 ARG N 1.537296 0.092625 54 76 GLN N 1.532939 0.10587 55 77 PHE N 1.611326 0.096315 56 78 ALA N 1.457012 0.067939 57 79 ILE N 1.625484 0.106986 58 80 VAL N 1.589488 0.100037 59 81 PHE N 1.409296 0.065548 60 82 LYS N 1.64555 0.100729 61 83 THR N 1.718248 0.130248 62 89 VAL N 1.663281 0.105863 63 90 ASN N 1.557914 0.079981 64 91 ILE N 1.736791 0.080429 65 92 THR N 1.569349 0.109375 66 93 LYS N 1.477453 0.072228 67 95 ALA N 1.740937 0.097676 68 96 SER N 1.866039 0.098271 69 97 VAL N 1.667771 0.113113 70 98 PHE N 1.589686 0.088463 71 99 VAL N 1.481247 0.067609 72 100 GLN N 1.484153 0.101563 73 103 ARG N 1.451255 0.128329 74 104 LYS N 1.558518 0.146624 75 105 SER N 1.535076 0.163363 76 106 ASP N 1.634783 0.142763 77 107 LEU N 1.527509 0.108735 78 108 GLU N 1.439234 0.113025 79 109 THR N 1.450415 0.117303 80 110 SER N 1.397977 0.100069 81 111 GLU N 1.262644 0.097888 82 113 LYS N 1.457363 0.096965 83 115 PHE N 1.787269 0.055019 84 116 LEU N 1.736939 0.111715 85 117 TYR N 1.79294 0.221404 86 118 TYR N 1.619762 0.153843 87 120 GLU N 1.405988 0.043928 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name 'p50 heterodimer, 1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 18 LEU N 0.037597 0.001104 . . 2 19 LYS N 0.03729 0.001893 . . 3 20 ILE N 0.036406 0.001498 . . 4 21 VAL N 0.031753 0.002233 . . 5 23 MET N 0.037181 0.001338 . . 6 24 ASP N 0.048395 0.000636 . . 7 26 THR N 0.03822 0.001282 . . 8 27 ALA N 0.032301 0.001552 . . 9 28 GLY N 0.034725 0.001621 . . 10 29 CYS N 0.034264 0.003517 . . 11 30 VAL N 0.037633 0.002723 . . 12 31 THR N 0.035706 0.000939 . . 13 32 GLY N 0.035671 0.00117 . . 14 33 GLY N 0.038961 0.001877 . . 15 34 GLU N 0.032273 0.001889 . . 16 35 GLU N 0.036825 0.000856 . . 17 36 ILE N 0.036065 0.001446 . . 18 38 LEU N 0.036801 0.001865 . . 19 39 LEU N 0.038026 0.001364 . . 20 41 ASP N 0.035359 0.001666 . . 21 42 LYS N 0.039083 0.002084 . . 22 43 VAL N 0.084769 0.013899 . . 23 44 GLN N 0.037677 0.001115 . . 24 45 LYS N 0.038666 0.002423 . . 25 46 ASP N 0.035398 0.00109 . . 26 47 ASP N 0.034654 0.001259 . . 27 48 ILE N 0.045886 0.000899 . . 28 49 GLN N 0.038498 0.002047 . . 29 50 ILE N 0.042419 0.00139 . . 30 51 ARG N 0.034403 0.001499 . . 31 52 PHE N 0.035049 0.001439 . . 32 53 TYR N 0.039497 0.00104 . . 33 54 GLU N 0.036559 0.001791 . . 34 55 GLU N 0.041757 0.001495 . . 35 56 GLU N 0.051369 0.00114 . . 36 57 GLU N 0.050961 0.002595 . . 37 58 ASN N 0.057156 0.001865 . . 38 59 GLY N 0.056757 0.001447 . . 39 60 GLY N 0.066225 0.00127 . . 40 61 VAL N 0.053818 0.001052 . . 41 62 TRP N 0.042198 0.000685 . . 42 63 GLU N 0.038027 0.000833 . . 43 64 GLY N 0.038921 0.001576 . . 44 65 PHE N 0.043021 0.001234 . . 45 66 GLY N 0.039606 0.002597 . . 46 67 ASP N 0.040828 0.002045 . . 47 68 PHE N 0.03707 0.001122 . . 48 69 SER N 0.037255 0.00103 . . 49 71 THR N 0.04018 0.001116 . . 50 72 ASP N 0.036257 0.001034 . . 51 73 VAL N 0.035925 0.000991 . . 52 74 HIS N 0.035479 0.002754 . . 53 75 ARG N 0.033525 0.001234 . . 54 76 GLN N 0.040647 0.001174 . . 55 77 PHE N 0.038633 0.000854 . . 56 78 ALA N 0.033937 0.001297 . . 57 79 ILE N 0.037731 0.002036 . . 58 80 VAL N 0.037198 0.001954 . . 59 81 PHE N 0.037303 0.000821 . . 60 82 LYS N 0.039214 0.001315 . . 61 83 THR N 0.034933 0.002389 . . 62 89 VAL N 0.043515 0.001047 . . 63 90 ASN N 0.037855 0.001066 . . 64 91 ILE N 0.044408 0.001313 . . 65 92 THR N 0.0399 0.002062 . . 66 93 LYS N 0.041424 0.000776 . . 67 95 ALA N 0.037397 0.002379 . . 68 96 SER N 0.042844 0.000838 . . 69 97 VAL N 0.036155 0.001241 . . 70 98 PHE N 0.036255 0.001339 . . 71 99 VAL N 0.039355 0.000955 . . 72 100 GLN N 0.037788 0.001332 . . 73 103 ARG N 0.038558 0.002101 . . 74 104 LYS N 0.03486 0.001828 . . 75 105 SER N 0.037456 0.001715 . . 76 106 ASP N 0.039945 0.001274 . . 77 107 LEU N 0.038465 0.001253 . . 78 108 GLU N 0.034168 0.000948 . . 79 109 THR N 0.042051 0.001083 . . 80 110 SER N 0.039904 0.003039 . . 81 111 GLU N 0.041629 0.001518 . . 82 113 LYS N 0.039661 0.002054 . . 83 115 PHE N 0.03561 0.001176 . . 84 116 LEU N 0.034354 0.001588 . . 85 117 TYR N 0.027565 0.004393 . . 86 118 TYR N 0.031656 0.001894 . . 87 120 GLU N 0.045277 0.000764 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Mol_system_component_name 'p50 heterodimer, 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 18 LEU 0.92 0.08 19 LYS 0.82 0.12 20 ILE 0.95 0.18 21 VAL 0.80 0.18 23 MET 0.72 0.09 24 ASP 0.54 0.07 26 THR 0.93 0.13 27 ALA 0.90 0.09 28 GLY 0.84 0.08 29 CYS 1.00 0.16 30 VAL 0.85 0.14 31 THR 0.87 0.08 32 GLY 0.77 0.07 33 GLY 1.01 0.14 34 GLU 0.84 0.10 35 GLU 0.86 0.09 36 ILE 0.92 0.13 38 LEU 0.83 0.10 39 LEU 0.85 0.12 41 ASP 0.80 0.12 42 LYS 0.96 0.16 43 VAL 0.38 0.21 44 GLN 0.72 0.07 45 LYS 0.90 0.11 46 ASP 0.79 0.08 47 ASP 0.82 0.07 48 ILE 0.63 0.05 49 GLN 0.85 0.10 50 ILE 0.93 0.12 51 ARG 0.95 0.12 52 PHE 0.81 0.13 53 TYR 0.78 0.08 54 GLU 0.86 0.11 55 GLU 0.70 0.08 56 GLU 0.43 0.03 57 GLU 0.46 0.19 58 ASN 0.39 0.04 59 GLY 0.45 0.03 60 GLY 0.40 0.02 61 VAL 0.77 0.36 62 TRP 0.64 0.06 63 GLU 0.88 0.07 64 GLY 0.88 0.10 65 PHE 0.80 0.08 66 GLY 0.79 0.12 67 ASP 0.76 0.10 68 PHE 0.84 0.06 69 SER 0.83 0.09 71 THR 0.78 0.06 72 ASP 0.79 0.08 73 VAL 0.82 0.07 74 HIS 0.99 0.17 75 ARG 0.79 0.09 76 GLN 0.80 0.09 77 PHE 0.87 0.07 78 ALA 0.92 0.08 79 ILE 0.98 0.12 80 VAL 0.81 0.11 81 PHE 0.88 0.05 82 LYS 0.99 0.13 83 THR 0.91 0.11 89 VAL 0.69 0.07 90 ASN 0.75 0.06 91 ILE 0.67 0.09 92 THR 0.90 0.12 93 LYS 0.71 0.05 95 ALA 0.79 0.11 96 SER 0.71 0.05 97 VAL 0.79 0.09 98 PHE 0.82 0.10 99 VAL 0.90 0.10 100 GLN 0.87 0.10 103 ARG 0.78 0.11 104 LYS 0.86 0.16 105 SER 0.79 0.10 106 ASP 0.82 0.09 107 LEU 0.83 0.08 108 GLU 0.81 0.08 109 THR 0.89 0.10 110 SER 0.86 0.13 111 GLU 0.82 0.10 113 LYS 0.68 0.08 115 PHE 0.86 0.09 116 LEU 0.90 0.12 117 TYR 0.98 0.43 118 TYR 0.81 0.10 120 GLU 0.53 0.04 stop_ save_