data_26599 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13Ca, 13Cb and 15N chemical shift assignment of coiled-coil motif from human Thanatos-associated protein 11 ; _BMRB_accession_number 26599 _BMRB_flat_file_name bmr26599.str _Entry_type original _Submission_date 2015-07-06 _Accession_date 2015-07-06 _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 Cukier Cyprian D. . 2 Milon Alain . . 3 Gervais Virginie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 66 "13C chemical shifts" 130 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-24 update BMRB 'update entry citation' 2016-05-09 original author 'original release' stop_ _Original_release_date 2016-05-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-terminal region of the transcriptional regulator THAP11 forms a parallel coiled-coil domain involved in protein dimerization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26975212 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cukier Cyprian D. . 2 Gervais Virginie . . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_volume 194 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 337 _Page_last 346 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'THAP11 coiled-coil dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'THAP11 coiled-coil, chain A' $THAP11 'THAP11 coiled-coil, chain B' $THAP11 stop_ _System_molecular_weight 16075 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'THAP11 coiled-coil, chain A' 1 'THAP11 coiled-coil, chain B' stop_ _Database_query_date . _Details 'a parallel dimeric coiled-coil from THAP11' save_ ######################## # Monomeric polymers # ######################## save_THAP11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common THAP11 _Molecular_mass 8038 _Mol_thiol_state 'not present' loop_ _Biological_function 'transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GAMGTTEEELLRKLNEQRDI LALMEVKMKEMKGSIRHLRL TEAKLREELREKDRLLAMAV IRKKHGMY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 248 GLY 2 249 ALA 3 250 MET 4 251 GLY 5 252 THR 6 253 THR 7 254 GLU 8 255 GLU 9 256 GLU 10 257 LEU 11 258 LEU 12 259 ARG 13 260 LYS 14 261 LEU 15 262 ASN 16 263 GLU 17 264 GLN 18 265 ARG 19 266 ASP 20 267 ILE 21 268 LEU 22 269 ALA 23 270 LEU 24 271 MET 25 272 GLU 26 273 VAL 27 274 LYS 28 275 MET 29 276 LYS 30 277 GLU 31 278 MET 32 279 LYS 33 280 GLY 34 281 SER 35 282 ILE 36 283 ARG 37 284 HIS 38 285 LEU 39 286 ARG 40 287 LEU 41 288 THR 42 289 GLU 43 290 ALA 44 291 LYS 45 292 LEU 46 293 ARG 47 294 GLU 48 295 GLU 49 296 LEU 50 297 ARG 51 298 GLU 52 299 LYS 53 300 ASP 54 301 ARG 55 302 LEU 56 303 LEU 57 304 ALA 58 305 MET 59 306 ALA 60 307 VAL 61 308 ILE 62 309 ARG 63 310 LYS 64 311 LYS 65 312 HIS 66 313 GLY 67 314 MET 68 315 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q96EK4 THAP11 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $THAP11 human 9606 Eukaryota Metazoa Homo sapiens thap11 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 $THAP11 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pETM-20 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 $THAP11 . mM 0.28 0.46 [U-15N] 'sodium/potassium phosphate' 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $THAP11 . mM 0.3 0.5 '[U-13C; U-15N]' 'sodium/potassium phosphate' 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH pressure 1 . atm temperature 310 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'THAP11 coiled-coil, chain A' _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 1 248 1 GLY CA C 45.179 0.023 1 2 249 2 ALA H H 8.181 0.001 1 3 249 2 ALA CA C 52.685 0.121 1 4 249 2 ALA CB C 19.433 0.048 1 5 249 2 ALA N N 123.637 0.029 1 6 250 3 MET H H 8.518 0.001 1 7 250 3 MET CA C 55.681 0.036 1 8 250 3 MET CB C 33.234 0.005 1 9 250 3 MET N N 119.472 0.013 1 10 251 4 GLY H H 8.462 0.001 1 11 251 4 GLY CA C 45.352 0.032 1 12 251 4 GLY N N 110.326 0.015 1 13 252 5 THR H H 8.105 0.002 1 14 252 5 THR CA C 62.288 0.073 1 15 252 5 THR CB C 70.059 0.021 1 16 252 5 THR N N 113.232 0.010 1 17 253 6 THR H H 8.307 0.001 1 18 253 6 THR CA C 63.601 0.075 1 19 253 6 THR CB C 70.013 0.085 1 20 253 6 THR N N 116.089 0.007 1 21 254 7 GLU H H 8.875 0.002 1 22 254 7 GLU CA C 60.669 0.017 1 23 254 7 GLU CB C 29.604 0.000 1 24 254 7 GLU N N 121.927 0.014 1 25 255 8 GLU H H 8.243 0.002 1 26 255 8 GLU CA C 59.954 0.093 1 27 255 8 GLU CB C 29.528 0.090 1 28 255 8 GLU N N 117.606 0.049 1 29 256 9 GLU H H 7.840 0.005 1 30 256 9 GLU CA C 59.176 0.063 1 31 256 9 GLU CB C 29.647 0.036 1 32 256 9 GLU N N 119.902 0.099 1 33 257 10 LEU H H 8.161 0.004 1 34 257 10 LEU CA C 58.200 0.012 1 35 257 10 LEU CB C 42.564 0.000 1 36 257 10 LEU N N 120.359 0.114 1 37 258 11 LEU H H 8.390 0.004 1 38 258 11 LEU CA C 58.071 0.061 1 39 258 11 LEU CB C 41.747 0.000 1 40 258 11 LEU N N 119.246 0.024 1 41 259 12 ARG H H 7.854 0.003 1 42 259 12 ARG CA C 59.849 0.099 1 43 259 12 ARG CB C 29.852 0.061 1 44 259 12 ARG N N 119.535 0.024 1 45 260 13 LYS H H 8.014 0.004 1 46 260 13 LYS CA C 59.207 0.018 1 47 260 13 LYS CB C 32.228 0.000 1 48 260 13 LYS N N 120.301 0.037 1 49 261 14 LEU H H 8.580 0.003 1 50 261 14 LEU CA C 58.273 0.180 1 51 261 14 LEU CB C 42.319 0.000 1 52 261 14 LEU N N 122.281 0.081 1 53 262 15 ASN H H 8.233 0.002 1 54 262 15 ASN CA C 56.155 0.037 1 55 262 15 ASN CB C 37.971 0.000 1 56 262 15 ASN N N 118.951 0.080 1 57 263 16 GLU H H 8.268 0.005 1 58 263 16 GLU CA C 59.656 0.176 1 59 263 16 GLU CB C 29.875 0.000 1 60 263 16 GLU N N 121.411 0.048 1 61 264 17 GLN H H 8.313 0.002 1 62 264 17 GLN CA C 59.240 0.046 1 63 264 17 GLN CB C 29.238 0.000 1 64 264 17 GLN N N 117.387 0.017 1 65 265 18 ARG H H 8.174 0.001 1 66 265 18 ARG CA C 59.888 0.015 1 67 265 18 ARG CB C 29.813 0.000 1 68 265 18 ARG N N 119.980 0.026 1 69 266 19 ASP H H 7.827 0.003 1 70 266 19 ASP CA C 57.484 0.069 1 71 266 19 ASP CB C 40.127 0.007 1 72 266 19 ASP N N 120.910 0.026 1 73 267 20 ILE H H 7.905 0.006 1 74 267 20 ILE CA C 65.131 0.044 1 75 267 20 ILE CB C 38.120 0.000 1 76 267 20 ILE N N 122.225 0.030 1 77 268 21 LEU H H 8.476 0.003 1 78 268 21 LEU CA C 58.870 0.040 1 79 268 21 LEU CB C 41.818 0.000 1 80 268 21 LEU N N 121.925 0.028 1 81 269 22 ALA H H 7.987 0.002 1 82 269 22 ALA CA C 55.252 0.034 1 83 269 22 ALA CB C 18.078 0.000 1 84 269 22 ALA N N 120.641 0.018 1 85 270 23 LEU H H 7.699 0.002 1 86 270 23 LEU CA C 57.751 0.044 1 87 270 23 LEU CB C 41.766 0.000 1 88 270 23 LEU N N 119.699 0.028 1 89 271 24 MET H H 8.590 0.001 1 90 271 24 MET CA C 59.052 0.097 1 91 271 24 MET CB C 33.026 0.000 1 92 271 24 MET N N 119.941 0.015 1 93 272 25 GLU H H 8.387 0.006 1 94 272 25 GLU CA C 60.208 0.027 1 95 272 25 GLU CB C 29.636 0.000 1 96 272 25 GLU N N 119.410 0.023 1 97 273 26 VAL H H 7.529 0.002 1 98 273 26 VAL CA C 66.920 0.052 1 99 273 26 VAL N N 120.001 0.026 1 100 274 27 LYS H H 8.014 0.001 1 101 274 27 LYS CA C 58.950 0.101 1 102 274 27 LYS CB C 31.875 0.000 1 103 274 27 LYS N N 120.636 0.064 1 104 275 28 MET H H 8.907 0.000 1 105 275 28 MET CA C 59.762 0.000 1 106 275 28 MET CB C 33.051 0.000 1 107 275 28 MET N N 119.549 0.027 1 108 276 29 LYS H H 7.999 0.001 1 109 276 29 LYS CA C 60.407 0.040 1 110 276 29 LYS CB C 32.253 0.000 1 111 276 29 LYS N N 120.322 0.011 1 112 277 30 GLU H H 8.030 0.005 1 113 277 30 GLU CA C 59.417 0.058 1 114 277 30 GLU CB C 29.544 0.000 1 115 277 30 GLU N N 121.272 0.010 1 116 278 31 MET H H 8.465 0.009 1 117 278 31 MET CA C 60.021 0.048 1 118 278 31 MET CB C 34.162 0.000 1 119 278 31 MET N N 120.222 0.044 1 120 279 32 LYS H H 8.560 0.011 1 121 279 32 LYS CA C 60.343 0.039 1 122 279 32 LYS CB C 32.509 0.000 1 123 279 32 LYS N N 119.971 0.062 1 124 280 33 GLY H H 7.986 0.002 1 125 280 33 GLY CA C 47.184 0.009 1 126 280 33 GLY N N 107.426 0.038 1 127 281 34 SER H H 8.243 0.004 1 128 281 34 SER CA C 62.086 0.001 1 129 281 34 SER CB C 62.858 0.000 1 130 281 34 SER N N 120.195 0.003 1 131 282 35 ILE H H 8.398 0.002 1 132 282 35 ILE CA C 66.450 0.022 1 133 282 35 ILE CB C 38.259 0.000 1 134 282 35 ILE N N 122.159 0.057 1 135 283 36 ARG H H 7.890 0.003 1 136 283 36 ARG CA C 60.030 0.000 1 137 283 36 ARG CB C 29.892 0.000 1 138 283 36 ARG N N 119.334 0.014 1 139 284 37 HIS H H 8.082 0.004 1 140 284 37 HIS CA C 60.009 0.028 1 141 284 37 HIS CB C 30.337 0.000 1 142 284 37 HIS N N 117.791 0.013 1 143 285 38 LEU H H 8.744 0.002 1 144 285 38 LEU CA C 58.530 0.023 1 145 285 38 LEU CB C 43.188 0.000 1 146 285 38 LEU N N 122.485 0.041 1 147 286 39 ARG H H 8.811 0.003 1 148 286 39 ARG CA C 59.948 0.034 1 149 286 39 ARG CB C 29.909 0.000 1 150 286 39 ARG N N 120.264 0.053 1 151 287 40 LEU H H 8.032 0.009 1 152 287 40 LEU CA C 58.262 0.005 1 153 287 40 LEU CB C 41.436 0.075 1 154 287 40 LEU N N 122.595 0.042 1 155 288 41 THR H H 8.233 0.003 1 156 288 41 THR CA C 67.012 0.096 1 157 288 41 THR CB C 68.665 0.000 1 158 288 41 THR N N 118.431 0.031 1 159 289 42 GLU H H 8.512 0.005 1 160 289 42 GLU CA C 60.508 0.048 1 161 289 42 GLU CB C 28.840 0.000 1 162 289 42 GLU N N 122.921 0.069 1 163 290 43 ALA H H 7.640 0.009 1 164 290 43 ALA CA C 55.384 0.036 1 165 290 43 ALA CB C 18.037 0.005 1 166 290 43 ALA N N 119.424 0.033 1 167 291 44 LYS H H 7.899 0.001 1 168 291 44 LYS CA C 59.154 0.000 1 169 291 44 LYS CB C 32.288 0.000 1 170 291 44 LYS N N 119.573 0.065 1 171 292 45 LEU H H 8.582 0.000 1 172 292 45 LEU CA C 57.944 0.038 1 173 292 45 LEU CB C 42.396 0.000 1 174 292 45 LEU N N 120.950 0.000 1 175 293 46 ARG H H 8.614 0.006 1 176 293 46 ARG CA C 60.773 0.022 1 177 293 46 ARG CB C 29.708 0.000 1 178 293 46 ARG N N 117.460 0.051 1 179 294 47 GLU H H 7.885 0.002 1 180 294 47 GLU CA C 59.437 0.041 1 181 294 47 GLU CB C 29.473 0.000 1 182 294 47 GLU N N 120.997 0.021 1 183 295 48 GLU H H 8.194 0.002 1 184 295 48 GLU CA C 59.714 0.064 1 185 295 48 GLU CB C 29.597 0.000 1 186 295 48 GLU N N 122.049 0.005 1 187 296 49 LEU H H 8.553 0.003 1 188 296 49 LEU CA C 58.686 0.005 1 189 296 49 LEU CB C 42.156 0.000 1 190 296 49 LEU N N 120.918 0.041 1 191 297 50 ARG H H 7.782 0.003 1 192 297 50 ARG CA C 59.617 0.028 1 193 297 50 ARG CB C 30.094 0.000 1 194 297 50 ARG N N 118.566 0.011 1 195 298 51 GLU H H 7.874 0.001 1 196 298 51 GLU CA C 58.921 0.045 1 197 298 51 GLU CB C 29.220 0.000 1 198 298 51 GLU N N 120.271 0.033 1 199 299 52 LYS H H 8.357 0.005 1 200 299 52 LYS CA C 59.697 0.064 1 201 299 52 LYS CB C 31.964 0.000 1 202 299 52 LYS N N 119.484 0.017 1 203 300 53 ASP H H 8.542 0.004 1 204 300 53 ASP CA C 57.736 0.092 1 205 300 53 ASP CB C 40.443 0.000 1 206 300 53 ASP N N 119.130 0.035 1 207 301 54 ARG H H 7.850 0.002 1 208 301 54 ARG CA C 59.685 0.000 1 209 301 54 ARG CB C 30.331 0.000 1 210 301 54 ARG N N 122.041 0.011 1 211 302 55 LEU H H 8.068 0.006 1 212 302 55 LEU CA C 57.856 0.025 1 213 302 55 LEU CB C 42.380 0.000 1 214 302 55 LEU N N 119.972 0.011 1 215 303 56 LEU H H 8.576 0.002 1 216 303 56 LEU CA C 57.897 0.075 1 217 303 56 LEU CB C 42.078 0.000 1 218 303 56 LEU N N 121.419 0.121 1 219 304 57 ALA H H 7.871 0.003 1 220 304 57 ALA CA C 54.611 0.147 1 221 304 57 ALA CB C 18.064 0.003 1 222 304 57 ALA N N 120.808 0.039 1 223 305 58 MET H H 7.666 0.002 1 224 305 58 MET CA C 57.001 0.038 1 225 305 58 MET CB C 32.966 0.210 1 226 305 58 MET N N 115.274 0.027 1 227 306 59 ALA H H 7.804 0.013 1 228 306 59 ALA CA C 53.722 0.061 1 229 306 59 ALA CB C 19.133 0.038 1 230 306 59 ALA N N 122.299 0.052 1 231 307 60 VAL H H 7.818 0.010 1 232 307 60 VAL CA C 63.564 0.068 1 233 307 60 VAL CB C 32.545 0.000 1 234 307 60 VAL N N 116.372 0.062 1 235 308 61 ILE H H 7.777 0.004 1 236 308 61 ILE CA C 62.177 0.191 1 237 308 61 ILE CB C 38.304 0.083 1 238 308 61 ILE N N 122.637 0.040 1 239 309 62 ARG H H 8.189 0.014 1 240 309 62 ARG CA C 56.856 0.107 1 241 309 62 ARG CB C 30.660 0.134 1 242 309 62 ARG N N 123.735 0.035 1 243 310 63 LYS H H 8.096 0.002 1 244 310 63 LYS CA C 56.879 0.019 1 245 310 63 LYS CB C 33.149 0.000 1 246 310 63 LYS N N 121.728 0.042 1 247 311 64 LYS H H 8.164 0.001 1 248 311 64 LYS CA C 56.890 0.000 1 249 311 64 LYS N N 121.737 0.013 1 250 312 65 HIS CA C 56.332 0.034 1 251 312 65 HIS CB C 30.378 0.000 1 252 313 66 GLY H H 8.196 0.002 1 253 313 66 GLY CA C 45.501 0.050 1 254 313 66 GLY N N 109.874 0.059 1 255 314 67 MET H H 8.088 0.003 1 256 314 67 MET CA C 55.629 0.031 1 257 314 67 MET CB C 33.082 0.024 1 258 314 67 MET N N 119.772 0.018 1 259 315 68 TYR H H 7.609 0.001 1 260 315 68 TYR CA C 59.105 0.021 1 261 315 68 TYR CB C 39.516 0.000 1 262 315 68 TYR N N 124.938 0.025 1 stop_ save_