data_25792 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p65dd ; _BMRB_accession_number 25792 _BMRB_flat_file_name bmr25792.str _Entry_type original _Submission_date 2015-09-02 _Accession_date 2015-09-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and CB Assignments of the dimerization domain of NFkB p65 in complex with deuterated p50 dimerization domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dyson Jane . . 2 Mukherjee Sulakshana . . 3 Borin Brendan . . 4 Quintas Pedro O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 125 "13C chemical shifts" 255 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-02 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26647 'p65 DBD' stop_ _Original_release_date 2016-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR characterization of a 72 kDa transcription factor using differential isotopic labeling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26647230 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mukherjee Sulakshana . . 2 Borin Brendan . . 3 Quintas Pedro . . 4 Dyson Jane . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 25 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 597 _Page_last 604 _Year 2016 _Details . loop_ _Keyword NMR dynamics structure 'transcription factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p65dd/p50dd _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p65 dimerization domain' $p65dd 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 . save_ ######################## # Monomeric polymers # ######################## save_p65dd _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p65dd _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'transcription factor' stop_ _Details 'in complex with deuterated p50 dimerization domain' ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; NTAELKICRVNRNSGSCLGG DEIFLLCDKVQKEDIEVYFT GPGWEARGSFSQADVHRQVA IVFRTPPYADPSLQAPVRVS MQLRRPSDRELSEPMEFQYL PDTDDRHRIEEKRKRTYETF KSIMKKSPFNGP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 190 ASN 2 191 THR 3 192 ALA 4 193 GLU 5 194 LEU 6 195 LYS 7 196 ILE 8 197 CYS 9 198 ARG 10 199 VAL 11 200 ASN 12 201 ARG 13 202 ASN 14 203 SER 15 204 GLY 16 205 SER 17 206 CYS 18 207 LEU 19 208 GLY 20 209 GLY 21 210 ASP 22 211 GLU 23 212 ILE 24 213 PHE 25 214 LEU 26 215 LEU 27 216 CYS 28 217 ASP 29 218 LYS 30 219 VAL 31 220 GLN 32 221 LYS 33 222 GLU 34 223 ASP 35 224 ILE 36 225 GLU 37 226 VAL 38 227 TYR 39 228 PHE 40 229 THR 41 230 GLY 42 231 PRO 43 232 GLY 44 233 TRP 45 234 GLU 46 235 ALA 47 236 ARG 48 237 GLY 49 238 SER 50 239 PHE 51 240 SER 52 241 GLN 53 242 ALA 54 243 ASP 55 244 VAL 56 245 HIS 57 246 ARG 58 247 GLN 59 248 VAL 60 249 ALA 61 250 ILE 62 251 VAL 63 252 PHE 64 253 ARG 65 254 THR 66 255 PRO 67 256 PRO 68 257 TYR 69 258 ALA 70 259 ASP 71 260 PRO 72 261 SER 73 262 LEU 74 263 GLN 75 264 ALA 76 265 PRO 77 266 VAL 78 267 ARG 79 268 VAL 80 269 SER 81 270 MET 82 271 GLN 83 272 LEU 84 273 ARG 85 274 ARG 86 275 PRO 87 276 SER 88 277 ASP 89 278 ARG 90 279 GLU 91 280 LEU 92 281 SER 93 282 GLU 94 283 PRO 95 284 MET 96 285 GLU 97 286 PHE 98 287 GLN 99 288 TYR 100 289 LEU 101 290 PRO 102 291 ASP 103 292 THR 104 293 ASP 105 294 ASP 106 295 ARG 107 296 HIS 108 297 ARG 109 298 ILE 110 299 GLU 111 300 GLU 112 301 LYS 113 302 ARG 114 303 LYS 115 304 ARG 116 305 THR 117 306 TYR 118 307 GLU 119 308 THR 120 309 PHE 121 310 LYS 122 311 SER 123 312 ILE 124 313 MET 125 314 LYS 126 315 LYS 127 316 SER 128 317 PRO 129 318 PHE 130 319 ASN 131 320 GLY 132 321 PRO 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 $p65dd 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 $p65dd 'recombinant technology' . Escherichia coli 'BL21 DE3' pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'normal NMR sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p65dd 0.3 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' p50dd 0.3 mM '[U-100% 2H]' TRIS 20 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _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' 0.05 . 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 na C 13 'methyl carbon' ppm 0.0 na indirect . . . 0.2511495 DSS H 1 'methyl protons' ppm 0.0 na direct . . . 1 na N 15 nitrogen ppm 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 HNCA' '3D HNCO' '3D HNCACB' '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 'p65 dimerization domain' _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 1 190 1 ASN CA C 50.141 . . 2 191 2 THR H H 8.265 . . 3 191 2 THR CA C 58.548 . . 4 191 2 THR CB C 66.384 . . 5 191 2 THR N N 115.079 . . 6 192 3 ALA H H 8.295 . . 7 192 3 ALA CA C 49.012 . . 8 192 3 ALA CB C 16.187 . . 9 192 3 ALA N N 126.474 . . 10 193 4 GLU H H 8.447 . . 11 193 4 GLU CA C 53.726 . . 12 193 4 GLU CB C 27.351 . . 13 193 4 GLU N N 121.246 . . 14 194 5 LEU H H 8.411 . . 15 194 5 LEU CA C 50.218 . . 16 194 5 LEU CB C 40.228 . . 17 194 5 LEU N N 123.183 . . 18 195 6 LYS H H 8.882 . . 19 195 6 LYS CA C 53.279 . . 20 195 6 LYS CB C 32.996 . . 21 195 6 LYS N N 123.932 . . 22 196 7 ILE H H 9.117 . . 23 196 7 ILE CA C 59.247 . . 24 196 7 ILE CB C 34.197 . . 25 196 7 ILE N N 126.108 . . 26 197 8 CYS H H 9.266 . . 27 197 8 CYS CA C 58.137 . . 28 197 8 CYS CB C 25.022 . . 29 197 8 CYS N N 125.716 . . 30 198 9 ARG H H 7.703 . . 31 198 9 ARG CA C 52.926 . . 32 198 9 ARG CB C 31.735 . . 33 198 9 ARG N N 116.584 . . 34 199 10 VAL H H 8.534 . . 35 199 10 VAL CA C 56.552 . . 36 199 10 VAL CB C 32.282 . . 37 199 10 VAL N N 118.267 . . 38 200 11 ASN H H 8.295 . . 39 200 11 ASN CA C 51.364 . . 40 200 11 ASN CB C 33.268 . . 41 200 11 ASN N N 122.386 . . 42 201 12 ARG H H 7.228 . . 43 201 12 ARG CA C 52.358 . . 44 201 12 ARG CB C 29.779 . . 45 201 12 ARG N N 120.941 . . 46 202 13 ASN H H 8.051 . . 47 202 13 ASN CA C 48.348 . . 48 202 13 ASN CB C 34.876 . . 49 202 13 ASN N N 116.846 . . 50 203 14 SER H H 7.238 . . 51 203 14 SER CA C 52.722 . . 52 203 14 SER CB C 63.42 . . 53 203 14 SER N N 112.307 . . 54 204 15 GLY H H 7.798 . . 55 204 15 GLY CA C 41.757 . . 56 204 15 GLY N N 104.334 . . 57 205 16 SER H H 8.383 . . 58 205 16 SER CA C 55.936 . . 59 205 16 SER CB C 60.446 . . 60 205 16 SER N N 113.373 . . 61 206 17 CYS H H 9.143 . . 62 206 17 CYS CA C 57.061 . . 63 206 17 CYS CB C 24.852 . . 64 206 17 CYS N N 126.701 . . 65 207 18 LEU H H 8.808 . . 66 207 18 LEU CA C 52.947 . . 67 207 18 LEU CB C 37.255 . . 68 207 18 LEU N N 123.773 . . 69 208 19 GLY H H 7.945 . . 70 208 19 GLY CA C 40.243 . . 71 208 19 GLY N N 105.152 . . 72 209 20 GLY H H 8.743 . . 73 209 20 GLY CA C 42.246 . . 74 209 20 GLY N N 105.884 . . 75 210 21 ASP H H 7.738 . . 76 210 21 ASP CA C 51.764 . . 77 210 21 ASP CB C 38.927 . . 78 210 21 ASP N N 120.637 . . 79 211 22 GLU H H 8.872 . . 80 211 22 GLU CA C 53.279 . . 81 211 22 GLU CB C 27.992 . . 82 211 22 GLU N N 123.759 . . 83 212 23 ILE H H 9.226 . . 84 212 23 ILE CA C 55.697 . . 85 212 23 ILE CB C 34.961 . . 86 212 23 ILE N N 131.614 . . 87 213 24 PHE H H 8.728 . . 88 213 24 PHE CA C 52.967 . . 89 213 24 PHE CB C 36.579 . . 90 213 24 PHE N N 125.177 . . 91 214 25 LEU H H 8.770 . . 92 214 25 LEU CA C 50.712 . . 93 214 25 LEU CB C 42.336 . . 94 214 25 LEU N N 124.922 . . 95 215 26 LEU H H 9.342 . . 96 215 26 LEU CA C 50.469 . . 97 215 26 LEU CB C 35.471 . . 98 215 26 LEU N N 125.006 . . 99 216 27 CYS H H 9.056 . . 100 216 27 CYS CA C 51.902 . . 101 216 27 CYS CB C 31.797 . . 102 216 27 CYS N N 123.268 . . 103 217 28 ASP H H 7.365 . . 104 217 28 ASP CA C 51.869 . . 105 217 28 ASP CB C 38.274 . . 106 217 28 ASP N N 118.590 . . 107 218 29 LYS H H 8.124 . . 108 218 29 LYS CA C 55.303 . . 109 218 29 LYS CB C 29.694 . . 110 218 29 LYS N N 116.692 . . 111 219 30 VAL H H 8.957 . . 112 219 30 VAL CA C 55.818 . . 113 219 30 VAL CB C 32.073 . . 114 219 30 VAL N N 119.511 . . 115 220 31 GLN H H 8.816 . . 116 220 31 GLN CA C 50.855 . . 117 220 31 GLN CB C 25.590 . . 118 220 31 GLN N N 118.978 . . 119 221 32 LYS H H 8.798 . . 120 221 32 LYS CA C 56.333 . . 121 221 32 LYS CB C 28.505 . . 122 221 32 LYS N N 124.026 . . 123 222 33 GLU H H 9.142 . . 124 222 33 GLU CA C 53.590 . . 125 222 33 GLU CB C 25.107 . . 126 222 33 GLU N N 118.041 . . 127 223 34 ASP H H 8.258 . . 128 223 34 ASP CA C 49.270 . . 129 223 34 ASP CB C 38.359 . . 130 223 34 ASP N N 123.230 . . 131 224 35 ILE H H 7.719 . . 132 224 35 ILE CA C 54.429 . . 133 224 35 ILE CB C 37.743 . . 134 224 35 ILE N N 116.606 . . 135 225 36 GLU H H 8.795 . . 136 225 36 GLU CA C 51.163 . . 137 225 36 GLU CB C 31.154 . . 138 225 36 GLU N N 124.960 . . 139 226 37 VAL H H 8.920 . . 140 226 37 VAL CA C 59.628 . . 141 226 37 VAL CB C 28.760 . . 142 226 37 VAL N N 120.588 . . 143 227 38 TYR H H 9.290 . . 144 227 38 TYR CA C 53.488 . . 145 227 38 TYR CB C 39.464 . . 146 227 38 TYR N N 130.838 . . 147 228 39 PHE H H 9.197 . . 148 228 39 PHE CA C 52.898 . . 149 228 39 PHE CB C 39.209 . . 150 228 39 PHE N N 130.795 . . 151 229 40 THR H H 8.670 . . 152 229 40 THR CA C 56.604 . . 153 229 40 THR CB C 70.386 . . 154 229 40 THR N N 108.184 . . 155 230 41 GLY H H 8.953 . . 156 230 41 GLY CA C 41.161 . . 157 230 41 GLY N N 109.750 . . 158 231 42 PRO CA C 61.384 . . 159 232 43 GLY H H 9.072 . . 160 232 43 GLY CA C 43.595 . . 161 232 43 GLY N N 116.225 . . 162 233 44 TRP H H 8.257 . . 163 233 44 TRP CA C 55.126 . . 164 233 44 TRP CB C 28.819 . . 165 233 44 TRP N N 121.809 . . 166 234 45 GLU H H 7.197 . . 167 234 45 GLU CA C 51.094 . . 168 234 45 GLU CB C 29.694 . . 169 234 45 GLU N N 125.275 . . 170 235 46 ALA H H 8.332 . . 171 235 46 ALA CA C 48.444 . . 172 235 46 ALA CB C 19.330 . . 173 235 46 ALA N N 121.092 . . 174 236 47 ARG H H 8.513 . . 175 236 47 ARG CA C 51.284 . . 176 236 47 ARG CB C 29.524 . . 177 236 47 ARG N N 117.663 . . 178 237 48 GLY H H 9.194 . . 179 237 48 GLY CA C 41.821 . . 180 237 48 GLY N N 105.113 . . 181 238 49 SER H H 9.280 . . 182 238 49 SER CA C 54.604 . . 183 238 49 SER CB C 61.551 . . 184 238 49 SER N N 118.164 . . 185 239 50 PHE H H 8.095 . . 186 239 50 PHE CA C 54.193 . . 187 239 50 PHE CB C 36.267 . . 188 239 50 PHE N N 122.064 . . 189 240 51 SER H H 9.847 . . 190 240 51 SER CA C 53.337 . . 191 240 51 SER CB C 63.335 . . 192 240 51 SER N N 118.444 . . 193 241 52 GLN H H 8.992 . . 194 241 52 GLN CA C 57.293 . . 195 241 52 GLN CB C 25.267 . . 196 241 52 GLN N N 121.939 . . 197 242 53 ALA H H 7.884 . . 198 242 53 ALA CA C 50.331 . . 199 242 53 ALA CB C 15.168 . . 200 242 53 ALA N N 118.516 . . 201 243 54 ASP H H 7.997 . . 202 243 54 ASP CA C 52.612 . . 203 243 54 ASP CB C 39.294 . . 204 243 54 ASP N N 117.434 . . 205 244 55 VAL H H 7.284 . . 206 244 55 VAL CA C 58.439 . . 207 244 55 VAL CB C 26.976 . . 208 244 55 VAL N N 121.261 . . 209 245 56 HIS H H 9.000 . . 210 245 56 HIS CA C 52.551 . . 211 245 56 HIS CB C 29.694 . . 212 245 56 HIS N N 131.346 . . 213 246 57 ARG H H 8.840 . . 214 246 57 ARG CA C 51.566 . . 215 246 57 ARG CB C 23.663 . . 216 246 57 ARG N N 123.609 . . 217 247 58 GLN H H 8.029 . . 218 247 58 GLN CA C 56.018 . . 219 247 58 GLN CB C 26.636 . . 220 247 58 GLN N N 104.946 . . 221 248 59 VAL H H 7.822 . . 222 248 59 VAL CA C 58.398 . . 223 248 59 VAL CB C 26.709 . . 224 248 59 VAL N N 108.426 . . 225 249 60 ALA H H 7.548 . . 226 249 60 ALA CA C 47.960 . . 227 249 60 ALA CB C 19.840 . . 228 249 60 ALA N N 122.758 . . 229 250 61 ILE H H 9.492 . . 230 250 61 ILE CA C 58.195 . . 231 250 61 ILE CB C 38.954 . . 232 250 61 ILE N N 120.851 . . 233 251 62 VAL H H 7.211 . . 234 251 62 VAL CA C 57.686 . . 235 251 62 VAL CB C 28.42 . . 236 251 62 VAL N N 128.106 . . 237 252 63 PHE H H 8.633 . . 238 252 63 PHE CA C 51.519 . . 239 252 63 PHE CB C 40.313 . . 240 252 63 PHE N N 121.113 . . 241 253 64 ARG H H 9.094 . . 242 253 64 ARG CA C 49.781 . . 243 253 64 ARG CB C 29.100 . . 244 253 64 ARG N N 117.020 . . 245 254 65 THR H H 8.873 . . 246 254 65 THR CA C 56.645 . . 247 254 65 THR CB C 64.269 . . 248 254 65 THR N N 114.215 . . 249 256 67 PRO CA C 59.583 . . 250 256 67 PRO CB C 28.101 . . 251 257 68 TYR H H 7.687 . . 252 257 68 TYR CA C 53.101 . . 253 257 68 TYR CB C 33.678 . . 254 257 68 TYR N N 120.434 . . 255 260 71 PRO CA C 60.301 . . 256 260 71 PRO CB C 28.420 . . 257 261 72 SER H H 8.368 . . 258 261 72 SER CA C 53.206 . . 259 261 72 SER CB C 60.531 . . 260 261 72 SER N N 117.822 . . 261 262 73 LEU H H 6.588 . . 262 262 73 LEU CA C 53.022 . . 263 262 73 LEU CB C 40.058 . . 264 262 73 LEU N N 120.259 . . 265 263 74 GLN H H 8.806 . . 266 263 74 GLN CA C 52.218 . . 267 263 74 GLN CB C 26.877 . . 268 263 74 GLN N N 119.430 . . 269 264 75 ALA H H 7.645 . . 270 264 75 ALA CA C 46.680 . . 271 264 75 ALA CB C 16.527 . . 272 264 75 ALA N N 123.230 . . 273 265 76 PRO CA C 60.082 . . 274 265 76 PRO CB C 29.524 . . 275 266 77 VAL H H 8.466 . . 276 266 77 VAL CA C 57.321 . . 277 266 77 VAL CB C 32.328 . . 278 266 77 VAL N N 119.730 . . 279 267 78 ARG H H 8.431 . . 280 267 78 ARG CA C 52.516 . . 281 267 78 ARG CB C 27.550 . . 282 267 78 ARG N N 125.573 . . 283 268 79 VAL H H 9.472 . . 284 268 79 VAL CA C 56.307 . . 285 268 79 VAL CB C 30.629 . . 286 268 79 VAL N N 118.853 . . 287 269 80 SER H H 9.062 . . 288 269 80 SER CA C 54.919 . . 289 269 80 SER CB C 62.655 . . 290 269 80 SER N N 115.530 . . 291 270 81 MET H H 8.908 . . 292 270 81 MET CA C 50.925 . . 293 270 81 MET CB C 32.328 . . 294 270 81 MET N N 122.817 . . 295 271 82 GLN H H 8.684 . . 296 271 82 GLN CA C 50.890 . . 297 271 82 GLN CB C 30.629 . . 298 271 82 GLN N N 120.586 . . 299 272 83 LEU H H 8.202 . . 300 272 83 LEU CA C 50.817 . . 301 272 83 LEU CB C 40.191 . . 302 272 83 LEU N N 119.858 . . 303 273 84 ARG H H 8.438 . . 304 273 84 ARG CA C 50.582 . . 305 273 84 ARG CB C 31.755 . . 306 273 84 ARG N N 121.514 . . 307 274 85 ARG H H 8.751 . . 308 274 85 ARG CA C 49.359 . . 309 274 85 ARG CB C 30.119 . . 310 274 85 ARG N N 130.054 . . 311 275 86 PRO CA C 61.863 . . 312 275 86 PRO CB C 28.675 . . 313 276 87 SER H H 9.173 . . 314 276 87 SER CA C 58.357 . . 315 276 87 SER N N 113.039 . . 316 277 88 ASP H H 7.498 . . 317 277 88 ASP CA C 49.038 . . 318 277 88 ASP CB C 37.510 . . 319 277 88 ASP N N 118.327 . . 320 278 89 ARG H H 8.452 . . 321 278 89 ARG CA C 54.709 . . 322 278 89 ARG N N 115.926 . . 323 279 90 GLU H H 7.538 . . 324 279 90 GLU CA C 54.176 . . 325 279 90 GLU CB C 26.891 . . 326 279 90 GLU N N 120.833 . . 327 280 91 LEU H H 7.961 . . 328 280 91 LEU CA C 50.155 . . 329 280 91 LEU CB C 43.134 . . 330 280 91 LEU N N 119.845 . . 331 281 92 SER H H 8.554 . . 332 281 92 SER CA C 54.639 . . 333 281 92 SER CB C 64.014 . . 334 281 92 SER N N 115.380 . . 335 282 93 GLU H H 8.976 . . 336 282 93 GLU CA C 52.813 . . 337 282 93 GLU CB C 25.362 . . 338 282 93 GLU N N 121.113 . . 339 283 94 PRO CA C 59.697 . . 340 283 94 PRO CB C 29.439 . . 341 284 95 MET H H 8.987 . . 342 284 95 MET CA C 50.716 . . 343 284 95 MET CB C 32.328 . . 344 284 95 MET N N 119.911 . . 345 285 96 GLU H H 8.576 . . 346 285 96 GLU CA C 54.017 . . 347 285 96 GLU CB C 27.802 . . 348 285 96 GLU N N 123.721 . . 349 286 97 PHE H H 8.603 . . 350 286 97 PHE CA C 53.626 . . 351 286 97 PHE CB C 39.821 . . 352 286 97 PHE N N 125.266 . . 353 287 98 GLN H H 7.593 . . 354 287 98 GLN CA C 50.781 . . 355 287 98 GLN CB C 27.655 . . 356 287 98 GLN N N 126.058 . . 357 288 99 TYR H H 8.608 . . 358 288 99 TYR CA C 55.339 . . 359 288 99 TYR CB C 37.255 . . 360 288 99 TYR N N 122.861 . . 361 289 100 LEU H H 8.624 . . 362 289 100 LEU CA C 48.094 . . 363 289 100 LEU CB C 39.294 . . 364 289 100 LEU N N 118.559 . . 365 290 101 PRO CA C 59.872 . . 366 290 101 PRO CB C 28.845 . . 367 291 102 ASP H H 8.867 . . 368 291 102 ASP CA C 52.030 . . 369 291 102 ASP CB C 38.954 . . 370 291 102 ASP N N 124.470 . . 371 292 103 THR H H 7.781 . . 372 292 103 THR CA C 57.939 . . 373 292 103 THR CB C 66.733 . . 374 292 103 THR N N 111.609 . . 375 293 104 ASP H H 8.166 . . 376 293 104 ASP CA C 51.844 . . 377 293 104 ASP CB C 38.402 . . 378 293 104 ASP N N 122.587 . . 379 294 105 ASP H H 8.395 . . 380 294 105 ASP CA C 52.408 . . 381 294 105 ASP CB C 37.681 . . 382 294 105 ASP N N 122.226 . . 383 295 106 ARG H H 8.299 . . 384 295 106 ARG CA C 55.049 . . 385 295 106 ARG CB C 26.041 . . 386 295 106 ARG N N 119.771 . . 387 296 107 HIS H H 8.146 . . 388 296 107 HIS CA C 54.287 . . 389 296 107 HIS CB C 26.234 . . 390 296 107 HIS N N 118.172 . . 391 297 108 ARG H H 7.881 . . 392 297 108 ARG CA C 54.467 . . 393 297 108 ARG CB C 26.746 . . 394 297 108 ARG N N 119.818 . . 395 298 109 ILE H H 8.021 . . 396 298 109 ILE CA C 60.102 . . 397 298 109 ILE CB C 34.652 . . 398 298 109 ILE N N 120.844 . . 399 299 110 GLU H H 8.150 . . 400 299 110 GLU CA C 54.946 . . 401 299 110 GLU CB C 25.881 . . 402 299 110 GLU N N 121.809 . . 403 300 111 GLU H H 7.952 . . 404 300 111 GLU CA C 54.877 . . 405 300 111 GLU CB C 26.573 . . 406 300 111 GLU N N 120.361 . . 407 304 115 ARG CA C 54.260 . . 408 305 116 THR H H 7.941 . . 409 305 116 THR CA C 59.906 . . 410 305 116 THR CB C 66.510 . . 411 305 116 THR N N 114.843 . . 412 306 117 TYR H H 8.014 . . 413 306 117 TYR CA C 55.448 . . 414 306 117 TYR CB C 36.017 . . 415 306 117 TYR N N 122.145 . . 416 308 119 THR H H 7.954 . . 417 308 119 THR CA C 59.788 . . 418 308 119 THR CB C 66.272 . . 419 308 119 THR N N 114.091 . . 420 312 123 ILE CA C 57.961 . . 421 312 123 ILE CB C 38.437 . . 422 313 124 MET H H 8.158 . . 423 313 124 MET CA C 51.848 . . 424 313 124 MET CB C 29.361 . . 425 313 124 MET N N 122.778 . . 426 317 128 PRO CA C 59.558 . . 427 317 128 PRO CB C 27.995 . . 428 318 129 PHE H H 7.685 . . 429 318 129 PHE CA C 53.092 . . 430 318 129 PHE CB C 33.687 . . 431 318 129 PHE N N 120.435 . . 432 320 131 GLY H H 7.694 . . 433 320 131 GLY CA C 41.286 . . 434 320 131 GLY N N 109.510 . . stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCO' '3D HNCACB' '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 'p65 dimerization domain' _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 1 301 112 LYS H H 7.892 . . 2 301 112 LYS CA C 54.856 . . 3 301 112 LYS CB C 28.709 . . 4 301 112 LYS N N 119.909 . . 5 302 113 ARG H H 8.078 . . 6 302 113 ARG CA C 54.600 . . 7 302 113 ARG N N 120.230 . . 8 303 114 LYS H H 8.104 . . 9 303 114 LYS CA C 54.600 . . 10 303 114 LYS N N 119.710 . . 11 304 115 ARG H H 7.951 . . 12 304 115 ARG CA C 54.600 . . 13 304 115 ARG N N 119.792 . . 14 305 116 THR H H 7.934 . . 15 305 116 THR CA C 59.372 . . 16 305 116 THR CB C 66.575 . . 17 305 116 THR N N 114.813 . . 18 306 117 TYR H H 8.050 . . 19 306 117 TYR CA C 55.927 . . 20 306 117 TYR CB C 35.884 . . 21 306 117 TYR N N 121.322 . . 22 307 118 GLU H H 8.198 . . 23 307 118 GLU CA C 54.432 . . 24 307 118 GLU CB C 26.486 . . 25 307 118 GLU N N 120.246 . . 26 308 119 THR H H 7.942 . . 27 308 119 THR CA C 59.904 . . 28 308 119 THR CB C 66.547 . . 29 308 119 THR N N 113.983 . . 30 309 120 PHE H H 7.976 . . 31 309 120 PHE CA C 36.030 . . 32 309 120 PHE CB C 55.621 . . 33 309 120 PHE N N 121.729 . . 34 310 121 LYS H H 7.981 . . 35 310 121 LYS CA C 53.400 . . 36 310 121 LYS N N 122.060 . . 37 311 122 SER H H 8.000 . . 38 311 122 SER CA C 55.655 . . 39 311 122 SER CB C 60.892 . . 40 311 122 SER N N 122.000 . . 41 312 123 ILE H H 7.980 . . 42 312 123 ILE CA C 58.378 . . 43 312 123 ILE CB C 35.560 . . 44 312 123 ILE N N 122.000 . . 45 313 124 MET H H 8.163 . . 46 313 124 MET CA C 58.378 . . 47 313 124 MET CB C 29.281 . . 48 313 124 MET N N 123.489 . . 49 314 125 LYS H H 8.184 . . 50 314 125 LYS CA C 53.514 . . 51 314 125 LYS N N 123.027 . . 52 315 126 LYS H H 8.136 . . 53 315 126 LYS CA C 53.514 . . 54 315 126 LYS N N 117.329 . . 55 316 127 SER H H 8.370 . . 56 316 127 SER CA C 58.278 . . 57 316 127 SER CB C 60.985 . . 58 316 127 SER N N 118.900 . . 59 317 128 PRO CA C 60.244 . . 60 317 128 PRO CB C 29.336 . . 61 318 129 PHE H H 8.101 . . 62 318 129 PHE CA C 54.568 . . 63 318 129 PHE CB C 35.059 . . 64 318 129 PHE N N 120.271 . . 65 319 130 ASN H H 8.281 . . 66 319 130 ASN CA C 50.184 . . 67 319 130 ASN CB C 35.909 . . 68 319 130 ASN N N 122.967 . . 69 320 131 GLY H H 7.696 . . 70 320 131 GLY CA C 41.509 . . 71 320 131 GLY N N 109.556 . . stop_ save_